"# GtoPdb Version: 2026.3.1 - published: 2026-10-12"
"Ligand ID"	"Name"	"Species"	"Type"	"Approved"	"Withdrawn"	"Labelled"	"Radioactive"	"PubChem SID"	"PubChem CID"	"UniProt ID"	"Ensembl ID"	"ChEMBL ID"	"Ligand Subunit IDs"	"Ligand Subunit Name"	"Ligand Subunit UniProt IDs"	"Ligand Subunit Ensembl IDs"	"IUPAC name"	"INN"	"Synonyms"	"SMILES"	"InChIKey"	"InChI"	"GtoImmuPdb"	"GtoMPdb"	"Antibacterial"
"6069"	"10,10-difluoro TXA<sub>2</sub>"	""	"Synthetic organic"	""	""	""	""	"178102690"	"73755171"	""	""	""	""	""	""	""	"(Z)-7-[(1S,3R,4R,5R)-7,7-difluoro-3-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid"	""	""	"CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F)O"	"CIYZUODQUHAGKZ-SCVXEUJASA-N"	"InChI=1S/C21H32F2O4/c1-2-3-6-9-16(24)13-12-15-14-18-21(22,23)20(27-18)17(15)10-7-4-5-8-11-19(25)26/h4,7,12-13,15-18,20,24H,2-3,5-6,8-11,14H2,1H3,(H,25,26)/b7-4-,13-12+/t15-,16-,17+,18-,20+/m0/s1"	""	""	""
"13409"	"10-Me-Aplog-1"	""	"Synthetic organic"	""	""	""	""	"496703379"	"60155209"	""	""	"CHEMBL2148108"	""	""	""	""	""	""	"compound 1 [PMID: 32053979]|compound 5 [PMID: 22625994]"	"[H][C@@]12CCC(C)(C)[C@]3(C[C@]([H])(OC(=O)C[C@H](CO)OC(=O)C1)[C@H](C)[C@@]([H])(CCCCC4=CC(O)=CC=C4)O3)O2"	"SWKUTOXEFLDOID-PYCRRGESSA-N"	"InChI=1S/C28H40O8/c1-18-23(10-5-4-7-19-8-6-9-20(30)13-19)36-28-16-24(18)34-26(32)15-22(17-29)33-25(31)14-21(35-28)11-12-27(28,2)3/h6,8-9,13,18,21-24,29-30H,4-5,7,10-12,14-17H2,1-3H3/t18-,21-,22-,23-,24+,28-/m1/s1"	""	""	""
"1835"	"10-OBn-7&alpha;-F-gingkolide B"	""	"Natural product"	""	""	""	""	"135652650"	"73755010"	""	""	""	""	""	""	""	""	""	"10-OBn-7&alpha;-F-GB|compound 17 [PMID: 12570381]"	"O=C1OC2C3([C@H]1OCc1ccccc1)C([C@@H](C1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)F)C(C)(C)C"	"LFVHCLPCEWRXME-CLNXZACASA-N"	"InChI=1S/C27H29FO10/c1-11-19(30)35-17-15(29)25-16-13(28)14(23(2,3)4)24(25)18(34-10-12-8-6-5-7-9-12)20(31)37-22(24)38-27(25,21(32)36-16)26(11,17)33/h5-9,11,13-18,22,29,33H,10H2,1-4H3/t11?,13-,14?,15?,16?,17-,18-,22?,24?,25?,26+,27-/m0/s1"	""	""	""
"1838"	"10-OBn-epi-ginkgolide C"	""	"Natural product"	""	""	""	""	"135652651"	"73755013"	""	""	""	""	""	""	""	""	""	"10-OBn-epi-GC"	"O=C1OC2C3([C@H]1OCc1ccccc1)C([C@@H](C1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)O)C(C)(C)C"	"YPOMAFCMSAKBRX-CLNXZACASA-N"	"InChI=1S/C27H30O11/c1-11-19(30)35-17-15(29)25-16-13(28)14(23(2,3)4)24(25)18(34-10-12-8-6-5-7-9-12)20(31)37-22(24)38-27(25,21(32)36-16)26(11,17)33/h5-9,11,13-18,22,28-29,33H,10H2,1-4H3/t11?,13-,14?,15?,16?,17-,18-,22?,24?,25?,26+,27-/m0/s1"	""	""	""
"1836"	"10-OBn-ginkgolide B"	""	"Natural product"	""	""	""	""	"135652652"	"73755011"	""	""	""	""	""	""	""	""	""	"10-OBn-GB"	"O=C1OC2C3([C@H]1OCc1ccccc1)C(CC1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)C(C)(C)C"	"PHJOWQWLQBFEEM-ZTPSGWAGSA-N"	"InChI=1S/C27H30O10/c1-12-19(29)35-17-16(28)25-15-10-14(23(2,3)4)24(25)18(33-11-13-8-6-5-7-9-13)20(30)36-22(24)37-27(25,21(31)34-15)26(12,17)32/h5-9,12,14-18,22,28,32H,10-11H2,1-4H3/t12?,14?,15?,16?,17-,18-,22?,24?,25?,26+,27-/m0/s1"	""	""	""
"1837"	"10-OBn-ginkgolide C"	""	"Natural product"	""	""	""	""	"135652653"	"73755012"	""	""	""	""	""	""	""	""	""	"10-OBn-GC"	"O=C1OC2C3([C@H]1OCc1ccccc1)C([C@H](C1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)O)C(C)(C)C"	"YPOMAFCMSAKBRX-WULOTIIESA-N"	"InChI=1S/C27H30O11/c1-11-19(30)35-17-15(29)25-16-13(28)14(23(2,3)4)24(25)18(34-10-12-8-6-5-7-9-12)20(31)37-22(24)38-27(25,21(32)36-16)26(11,17)33/h5-9,11,13-18,22,28-29,33H,10H2,1-4H3/t11?,13-,14?,15?,16?,17+,18+,22?,24?,25?,26-,27+/m1/s1"	""	""	""
"12425"	"1,10-Phenanthroline"	""	"Synthetic organic"	""	""	""	""	"479821216"	"1318"	""	""	"CHEMBL415879"	""	""	""	""	"1,10-phenanthroline"	""	"O-PHE|o-phenanthroline"	"C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1"	"DGEZNRSVGBDHLK-UHFFFAOYSA-N"	"InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H"	""	""	""
"5482"	"1-1-1-trichloroethane"	""	"Synthetic organic"	""	""	""	""	"178102129"	"6278"	""	""	"CHEMBL16080"	""	""	""	""	"1,1,1-trichloroethane"	""	"methylchloroform"	"CC(Cl)(Cl)Cl"	"UOCLXMDMGBRAIB-UHFFFAOYSA-N"	"InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3"	""	""	""
"4484"	"11-dehydro-thromboxane B<sub>2</sub>"	""	"Metabolite"	""	""	""	""	"135651596"	"5280891"	""	""	"CHEMBL1405272"	""	""	""	""	"(Z)-7-[(2R,3S,4S)-4-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxooxan-3-yl]hept-5-enoic acid"	""	"11-dehydro-TXB2"	"CCCCC[C@@H](/C=C/[C@H]1OC(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O"	"KJYIVXDPWBUJBQ-UHHGALCXSA-N"	"InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1"	""	""	""
"5100"	"11-deoxycortisol"	""	"Metabolite"	""	""	""	""	"178101793"	"440707"	""	""	"CHEMBL253144"	""	""	""	""	"(1S,2R,10R,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one"	"cortodoxone"	"11-deoxycortisone|cortexolone|cortodoxone"	"OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C"	"WHBHBVVOGNECLV-OBQKJFGGSA-N"	"InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1"	""	""	""
"1925"	"11-deoxy-PGE<sub>1</sub>"	""	"Metabolite"	""	""	""	""	"135651369"	"5283055"	""	""	"CHEMBL3246389"	""	""	""	""	"7-[(1R,2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid"	""	"11-deoxy-PGE1|11-deoxyprostaglandin E1|doproston"	"CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O"	"DPNOTBLPQOITGU-LDDQNKHRSA-N"	"InChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-18,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1"	""	""	""
"1945"	"11-deoxy-PGE<sub>2</sub>"	""	"Synthetic organic"	""	""	""	""	"135649645"	"5283062"	""	""	""	""	""	""	""	"(Z)-7-[(1R,2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid"	""	""	"CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O)O"	"CTHZICXYLKQMKI-FOSBLDSVSA-N"	"InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,16-18,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1"	""	""	""
"6669"	"11-<i>cis</i>-retinal"	""	"Metabolite"	""	""	""	""	"178103281"	"5280490"	""	""	"CHEMBL1255087"	""	""	""	""	"(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal"	""	"11-cis-retinal|11-cis-retinaldehyde|retinaldehyde"	"O=C/C=C(/C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)\C"	"NCYCYZXNIZJOKI-IOUUIBBYSA-N"	"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6-,12-11+,16-8+,17-13+"	""	""	""
"6670"	"11-<i>cis</i>-retinol"	""	"Metabolite"	""	""	""	""	"178103282"	"5280382"	""	""	""	""	""	""	""	"(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraen-1-ol"	""	"11-cis-retinol"	"OC/C=C(/C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)\C"	"FPIPGXGPPPQFEQ-IOUUIBBYSA-N"	"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6-,12-11+,16-8+,17-13+"	""	""	""
"4701"	"1,2,3-benzenetricarboxylic acid"	""	"Synthetic organic"	""	""	""	""	"178101413"	"11288"	""	""	"CHEMBL1161013"	""	""	""	""	"benzene-1,2,3-tricarboxylic acid"	""	"1,2,3-benzenetricarboxylate"	"OC(=O)c1c(cccc1C(=O)O)C(=O)O"	"UJMDYLWCYJJYMO-UHFFFAOYSA-N"	"InChI=1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)"	""	""	""
"2779"	"1,25-dihydroxyvitamin D3"	""	"Metabolite"	"yes"	""	""	""	"135651370"	"5280453"	""	""	"CHEMBL846"	""	""	""	""	"(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol"	"calcitriol"	"Calcijex&reg;|calcitriol|Rocaltrol&reg;"	"O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C)/C1"	"GMRQFYUYWCNGIN-NKMMMXOESA-N"	"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1"	""	""	""
"4072"	"(12E,20Z,18S)-8-hydroxyvariabilin"	""	"Synthetic organic"	""	""	""	""	"178100895"	"54726845"	""	""	"CHEMBL464651"	""	""	""	""	"(5Z)-5-[(2S,6E)-13-(furan-3-yl)-10-hydroxy-2,6,10-trimethyltridec-6-en-1-ylidene]-4-hydroxy-3-methyl-2,5-dihydrofuran-2-one"	""	""	"C/C(=C\CCC(CCCc1cocc1)(O)C)/CCC[C@@H](/C=C/1\OC(=O)C(=C1O)C)C"	"QFBUNOKEKXMSCV-UYYPKTQPSA-N"	"InChI=1S/C25H36O5/c1-18(8-5-9-19(2)16-22-23(26)20(3)24(27)30-22)10-6-13-25(4,28)14-7-11-21-12-15-29-17-21/h10,12,15-17,19,26,28H,5-9,11,13-14H2,1-4H3/b18-10+,22-16-/t19-,25?/m0/s1"	""	""	""
"6160"	"12-epi LTB<sub>4</sub>"	""	"Metabolite"	""	""	""	""	"178102781"	"5283130"	""	""	"CHEMBL1742496"	""	""	""	""	"(5S,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid"	""	"12(S)-Leukotriene B4"	"CCCCC/C=C\C[C@@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O"	"VNYSSYRCGWBHLG-CBBLYLIKSA-N"	"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19+/m0/s1"	""	""	""
"6159"	"12-hydroxyheptadecatrienoic acid"	""	"Metabolite"	""	""	""	""	"178102780"	"5283141"	""	""	""	""	""	""	""	"(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid"	""	"12-HHT|12S-HHTrE"	"CCCCC[C@@H](/C=C/C=C/C/C=C\CCCC(=O)O)O"	"KUKJHGXXZWHSBG-WBGSEQOASA-N"	"InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+/t16-/m0/s1"	""	""	""
"6922"	"12-hydroxylauric acid"	""	"Metabolite"	""	""	""	""	"178103504"	"79034"	""	""	"CHEMBL55068"	""	""	""	""	"12-Hydroxydodecanoic acid"	""	""	"OCCCCCCCCCCCC(=O)O"	"ZDHCZVWCTKTBRY-UHFFFAOYSA-N"	"InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)"	""	""	""
"11354"	"12-Imidazolyl-1-dodecanol"	""	"Synthetic organic"	""	""	""	""	"440816723"	"25269122"	""	""	""	""	""	""	""	"12-(1H-imidazol-2-yl)dodecan-1-ol"	""	""	"OCCCCCCCCCCCCc1ncc[nH]1"	"DOKOVZHOVUEIBQ-UHFFFAOYSA-N"	"InChI=1S/C15H28N2O/c18-14-10-8-6-4-2-1-3-5-7-9-11-15-16-12-13-17-15/h12-13,18H,1-11,14H2,(H,16,17)"	""	""	""
"3405"	"12R-HETE"	""	"Metabolite"	""	""	""	""	"135651371"	"5283156"	""	""	"CHEMBL1435825"	""	""	""	""	"(5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid"	""	"12r-HETE"	"CCCCC/C=C\C[C@H](/C=C/C=C\C/C=C\CCCC(=O)O)O"	"ZNHVWPKMFKADKW-ZYBDYUKJSA-N"	"InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1"	""	""	""
"5101"	"12R-HPETE"	""	"Metabolite"	""	""	""	""	"178101794"	"9548885"	""	""	""	""	""	""	""	"(5Z,8Z,10E,12R,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoic acid"	""	"12(R)-HPETE"	"CCCCC/C=C\C[C@H](/C=C/C=C\C/C=C\CCCC(=O)O)OO"	"ZIOZYRSDNLNNNJ-ZYBDYUKJSA-N"	"InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1"	""	""	""
"3404"	"12S-HETE"	""	"Metabolite"	""	""	""	""	"135651372"	"5283155"	""	""	"CHEMBL1526258"	""	""	""	""	"(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid"	""	"12(S)-hydroxyeicosatetraenoic acid"	"CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)O"	"ZNHVWPKMFKADKW-LQWMCKPYSA-N"	"InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1"	""	""	""
"2481"	"12S-HPETE"	""	"Metabolite"	""	""	""	""	"53800990"	"5280892"	""	""	"CHEMBL1447811"	""	""	""	""	"(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoic acid"	""	"12-(S)-HPETE|12-(S)-hydroperoxyeicosatetraenoic acid"	"CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)OO"	"ZIOZYRSDNLNNNJ-LQWMCKPYSA-N"	"InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1"	""	""	""
"5508"	"12S-[<sup>3</sup>H]HETE"	""	"Synthetic organic"	""	""	"yes"	"yes"	"178102154"	"5283155"	""	""	"CHEMBL1526258"	""	""	""	""	"(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid"	""	""	"CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)O"	"ZNHVWPKMFKADKW-LQWMCKPYSA-N"	"InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1"	""	""	""
"1900"	"13,14-dihydro-15-keto-PGD<sub>2</sub>"	""	"Synthetic organic"	""	""	""	""	"135649648"	"5283036"	""	""	""	""	""	""	""	"(Z)-7-[(1R,2R,5S)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid"	""	"13,14-dihydro-15-keto-prostaglandin D2|13,14-dihydro-15-ketoprostaglandin D2|13,14-dihydro-15-oxo PGD2|DK-PGD<sub>2</sub>"	"CCCCCC(=O)CC[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O"	"VSRXYLYXIXYEST-KZTWKYQFSA-N"	"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-18,22H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+/m1/s1"	""	""	""
"1901"	"13,14-dihydro-15-keto-PGF<sub>2&alpha;</sub>"	""	"Metabolite"	""	""	""	""	"135651373"	"5283039"	""	""	""	""	""	""	""	"(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid"	""	"Dhk-pgf2alpha"	"CCCCCC(=O)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O"	"VKTIONYPMSCHQI-XAGFEHLVSA-N"	"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+,19-/m1/s1"	""	""	""
"1955"	"13,14-dihydro-16-<i>m</i>-chlorophenoxy-<i>w</i>-tetranor-PGF<sub>1&alpha;</sub>"	""	"Synthetic organic"	""	""	""	""	"135649649"	"5311240"	""	""	"CHEMBL36041"	""	""	""	""	"7-[(1R,2R,3R,5S)-2-[(3R)-4-(3-chlorophenoxy)-3-hydroxybutyl]-3,5-dihydroxycyclopentyl]heptanoic acid"	""	""	"O[C@@H](COc1cccc(c1)Cl)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1CCCCCCC(=O)O)O"	"XECZBZWECQIBDA-LELZANKISA-N"	"InChI=1S/C22H33ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h5-7,12,16,18-21,24-26H,1-4,8-11,13-14H2,(H,27,28)/t16-,18-,19-,20+,21-/m1/s1"	""	""	""
"1946"	"13,14-dihydro-PGE<sub>1</sub>"	""	"Metabolite"	""	""	""	""	"135651374"	"161273"	""	""	"CHEMBL1476810"	""	""	""	""	"7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyoctyl]-5-oxocyclopentyl]heptanoic acid"	""	"13,14-dihydro-prostaglandin E1"	"CCCCC[C@@H](CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O"	"DPOINJQWXDTOSF-DODZYUBVSA-N"	"InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h15-17,19,21,23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,19+/m0/s1"	""	""	""
"8343"	"135PAM1"	""	"Synthetic organic"	""	""	""	""	"252166555"	"56953333"	""	""	""	""	""	""	""	"3-[3,5-bis(trifluoromethyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea"	""	""	"COc1ccc2c(c1)c(CCN(C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1ccc(c(c1)Cl)Cl)c[nH]2"	"FAXDMTURZKFXIY-UHFFFAOYSA-N"	"InChI=1S/C27H21Cl2F6N3O2/c1-40-20-3-5-24-21(12-20)16(13-36-24)6-7-38(14-15-2-4-22(28)23(29)8-15)25(39)37-19-10-17(26(30,31)32)9-18(11-19)27(33,34)35/h2-5,8-13,36H,6-7,14H2,1H3,(H,37,39)"	""	""	""
"6684"	"1,3-ditolylguanidine"	""	"Synthetic organic"	""	""	""	""	"178103296"	"7333"	""	""	"CHEMBL282433"	""	""	""	""	"1,2-bis(2-methylphenyl)guanidine"	""	"1,3-Di-o-tolylguanidine|Di-o-tolylguanidine|DOTG"	"NC(=Nc1ccccc1C)Nc1ccccc1C"	"OPNUROKCUBTKLF-UHFFFAOYSA-N"	"InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)"	""	""	""
"5426"	"13-HODE"	""	"Synthetic organic"	""	""	""	""	"178102079"	"5282947"	""	""	""	""	""	""	""	"(9Z,11E)-13-hydroxyoctadeca-9,11-dienoic acid"	""	"&alpha;-artemisolic acid|13-hydroxylinoleic acid|coriolic acid"	"CCCCCC(/C=C/C=C\CCCCCCCC(=O)O)O"	"HNICUWMFWZBIFP-BSZOFBHHSA-N"	"InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+"	""	""	""
"6671"	"13-<i>cis</i>-retinal"	""	"Metabolite"	""	""	""	""	"178103283"	"6436079"	""	""	"CHEMBL1579130"	""	""	""	""	"(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal"	""	"13-cis-retinal|13-cis-retinaldehyde"	"O=C/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C"	"NCYCYZXNIZJOKI-HWCYFHEPSA-N"	"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13-"	""	""	""
"6672"	"13-<i>cis</i>-retinol"	""	"Metabolite"	""	""	""	""	"178103284"	"9904001"	""	""	"CHEMBL1454290"	""	""	""	""	"(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraen-1-ol"	""	"13-cis-retinol|neovitamin A"	"OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C"	"FPIPGXGPPPQFEQ-HWCYFHEPSA-N"	"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13-"	""	""	""
"5102"	"1400W"	""	"Synthetic organic"	""	""	""	""	"178101795"	"1433"	""	""	"CHEMBL107251"	""	""	""	""	"(E)-N'-{[3-(aminomethyl)phenyl]methyl}ethenimidamide"	""	"W 1400"	"NCc1cccc(c1)C/N=C(/N)\C"	"RODUKNYOEVZQPR-UHFFFAOYSA-N"	"InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)"	"yes"	""	""
"13464"	"14-Deoxy-11,12-didehydroandrographolide"	""	"Natural product"	""	""	""	""	"500839874"	"5708351"	""	""	"CHEMBL361568"	""	""	""	""	"4-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one"	""	"ddA (14-deoxy-11,12-didehydroandrographolide)"	"[H][C@]12CCC(=C)[C@@H](/C=C/C3=CCOC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO"	"XMJAJFVLHDIEHF-CRBRZBHVSA-N"	"InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,9,15-17,21-22H,1,4,7-8,10-12H2,2-3H3/b6-5+/t15-,16+,17-,19+,20+/m1/s1"	"yes"	""	""
"5098"	"1,4,-IP<sub>2</sub>"	""	"Metabolite"	""	""	""	""	"178101791"	"25203530"	""	""	""	""	""	""	""	"[(2R,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-phosphonatooxycyclohexyl] phosphate"	""	"1D-myo-inositol 1,4-bisphosphate|inositol 1,4-bis(phosphate)"	"O[C@@H]1C(OP(=O)([O-])[O-])[C@H](O)[C@H](C([C@@H]1O)OP(=O)([O-])[O-])O"	"PELZSPZCXGTUMR-MBEOBJKWSA-J"	"InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-4/t1-,2-,3-,4+,5?,6?/m1/s1"	""	""	""
"2692"	"15-deoxy-&Delta;-12,14-prostaglandin J2"	""	"Metabolite"	""	""	""	""	"135651375"	"5311211"	""	""	"CHEMBL482477"	""	""	""	""	"(Z)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid"	""	""	"CCCCC/C=C/C=C/1\[C@@H](C/C=C\CCCC(=O)O)C=CC1=O"	"VHRUMKCAEVRUBK-GODQJPCRSA-N"	"InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1"	""	""	""
"1904"	"15-deoxy-&Delta;<sup>12,14</sup>-PGD<sub>2</sub>"	""	"Metabolite"	""	""	""	""	"135651376"	"5283052"	""	""	"CHEMBL164599"	""	""	""	""	"(Z)-7-[(1R,2E,5S)-5-hydroxy-2-[(E)-oct-2-enylidene]-3-oxocyclopentyl]hept-5-enoic acid"	""	"15-deoxy-&Delta;<sup>12,14</sup>-prostaglandin D<sub>2</sub>|15d-&Delta;<sup>12,14</sup>-PGD<sub>2</sub>"	"CCCCC/C=C/C=C\1/C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O"	"QUGBPWLPAUHDTI-PLGLXCLHSA-N"	"InChI=1S/C20H30O4/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24/h6-7,9-10,12,17,19,22H,2-5,8,11,13-15H2,1H3,(H,23,24)/b9-6+,10-7-,16-12+/t17-,19+/m1/s1"	""	""	""
"1877"	"15-deoxy-&Delta;<sup>12,14</sup>-PGJ<sub>2</sub>"	""	"Synthetic organic"	""	""	""	""	"53801020"	"5283035"	""	""	"CHEMBL520218"	""	""	""	""	"(Z)-7-[(1S,5E)-5-[(Z)-oct-2-enylidene]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid"	""	"15d-&Delta;<sup>12,14</sup>-PGJ<sub>2</sub>|15deoxy-delta-12,14-PGJ2|LS-125843"	"CCCCC/C=C\C=C\1/[C@@H](C/C=C\CCCC(=O)O)C=CC1=O"	"VHRUMKCAEVRUBK-WKELIDJCSA-N"	"InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6-,18-13+/t17-/m0/s1"	""	""	""
"3402"	"15-deoxy-LXA4"	""	"Metabolite"	""	""	""	""	"135651377"	"9880904"	""	""	""	""	""	""	""	"(5S,6R,7E,9E,11E,13E)-5,6-dihydroxyicosa-7,9,11,13-tetraenoic acid"	""	""	"CCCCCC/C=C/C=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)O"	"SJIRTDBAYKOBAL-COJKCNNISA-N"	"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h7-13,15,18-19,21-22H,2-6,14,16-17H2,1H3,(H,23,24)/b8-7+,10-9+,12-11+,15-13+/t18-,19+/m1/s1"	""	""	""
"5865"	"15-deoxy-TIC"	""	"Synthetic organic"	""	""	""	""	"178102489"	"9842229"	""	""	""	""	""	""	""	"5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E)-4-(3-methylphenyl)but-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid"	""	""	"OC(=O)CCCCC1=C[C@@H]2[C@H](C1)[C@H]([C@@H](C2)O)/C=C/CCc1cccc(c1)C"	"UZEWMXSWYKBMJG-ROHPBGETSA-N"	"InChI=1S/C24H32O3/c1-17-7-6-10-18(13-17)8-2-4-11-21-22-15-19(9-3-5-12-24(26)27)14-20(22)16-23(21)25/h4,6-7,10-11,13-14,20-23,25H,2-3,5,8-9,12,15-16H2,1H3,(H,26,27)/b11-4+/t20-,21+,22-,23+/m0/s1"	""	""	""
"5099"	"1,5,-IP<sub>2</sub>"	""	"Metabolite"	""	""	""	""	"178101792"	"128419"	""	""	""	""	""	""	""	"[(1R,2S,4R,5S)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl] dihydrogen phosphate"	""	""	"OC1[C@H](OP(=O)(O)O)[C@@H](O)C([C@H]([C@@H]1OP(=O)(O)O)O)O"	"PUVHMWJJTITUGO-WJPCITMWSA-N"	"InChI=1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1?,2-,3+,4?,5+,6-"	""	""	""
"1902"	"15(<i>R</i>)-15-methyl-PGD<sub>2</sub>"	""	"Synthetic organic"	""	""	""	""	"135649652"	"5283097"	""	""	""	""	""	""	""	"(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3R)-3-hydroxy-3-methyloct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid"	""	"15R-15-methyl PGD2"	"CCCCC[C@](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)(O)C"	"CTXLUMAOXBULOZ-BKVRKCTKSA-N"	"InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,21-/m1/s1"	""	""	""
"1903"	"15(<i>S</i>)-15-methyl-PGD<sub>2</sub>"	""	"Synthetic organic"	""	""	""	""	"135649653"	"5283051"	""	""	""	""	""	""	""	"(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid"	""	"BRN 5989341"	"CCCCC[C@@](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)(O)C"	"CTXLUMAOXBULOZ-QEQARHSSSA-N"	"InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,21+/m1/s1"	""	""	""
"5864"	"15R-TIC"	""	"Synthetic organic"	""	""	""	""	"178102488"	"9821452"	""	""	""	""	""	""	""	"5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3R)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid"	""	""	"OC(=O)CCCCC1=C[C@@H]2[C@H](C1)[C@H]([C@@H](C2)O)/C=C/[C@@H](Cc1cccc(c1)C)O"	"WECZQLFTKNIXDD-RNJUVHPUSA-N"	"InChI=1S/C24H32O4/c1-16-5-4-7-17(11-16)13-20(25)9-10-21-22-14-18(6-2-3-8-24(27)28)12-19(22)15-23(21)26/h4-5,7,9-12,19-23,25-26H,2-3,6,8,13-15H2,1H3,(H,27,28)/b10-9+/t19-,20-,21+,22-,23+/m0/s1"	""	""	""
"3401"	"15S-HETE"	""	"Metabolite"	""	""	""	""	"135651378"	"5280724"	""	""	"CHEMBL594621"	""	""	""	""	"(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoic acid"	"icomucret"	"15(S)-hydroxyeicosatetraenoic acid|15-HETE"	"CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)O"	"JSFATNQSLKRBCI-VAEKSGALSA-N"	"InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1"	""	""	""
"2482"	"15S-HPETE"	""	"Metabolite"	""	""	""	""	"135651379"	"5280893"	""	""	"CHEMBL1606580"	""	""	""	""	"(5Z,8Z,11Z,13E,15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoic acid"	""	"15(S)-HPETE|15-(S)-hydroperoxyeicosatetraenoic acid"	"CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)OO"	"BFWYTORDSFIVKP-VAEKSGALSA-N"	"InChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1"	""	""	""
"1926"	"16,16-dimethyl-PGE<sub>2</sub>"	""	"Synthetic organic"	""	""	""	""	"135651380"	"5283066"	""	""	"CHEMBL1221529"	""	""	""	""	"(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid"	""	"16,16-dimethylprostaglandin E2"	"CCCCC([C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)(C)C"	"QAOBBBBDJSWHMU-WMBBNPMCSA-N"	"InChI=1S/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,19-,20-/m1/s1"	""	""	""
"14019"	"16,17-EpDPE"	""	"Synthetic organic"	""	""	""	""	"518520646"	"14392758"	""	""	""	""	""	""	""	"(4Z,7Z,10Z,13Z)-15-[3-[(Z)-pent-2-enyl]oxiran-2-yl]pentadeca-4,7,10,13-tetraenoic acid"	""	"16(17)-EpDoPE|16(17)-EpDPE|16,17-EDP|16,17-epoxydocosapentaenoic acid"	"CC/C=C\CC1C(O1)C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O"	"BCTXZWCPBLWCRV-ZYADFMMDSA-N"	"InChI=1S/C22H32O3/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(23)24/h3,5-8,11-15,20-21H,2,4,9-10,16-19H2,1H3,(H,23,24)/b7-5-,8-6-,13-11-,14-3-,15-12-"	""	""	""
"12965"	"16&alpha;-hydroxyestrone"	""	"Synthetic organic"	""	""	""	""	"485206086"	"115116"	""	""	"CHEMBL1233720"	""	""	""	""	"(8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one"	""	"16&alpha;-OHE1|16-hydroxyestrone|16alpha-hydroxyestrone|16alpha-OHE1"	"C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)O)CCC4=C3C=CC(=C4)O"	"WPOCIZJTELRQMF-QFXBJFAPSA-N"	"InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1"	""	""	""
"6923"	"16-HETE"	""	"Metabolite"	""	""	""	""	"178103505"	"6442739"	""	""	""	""	""	""	""	"(5Z,8Z,11Z,14Z)-16-hydroxyicosa-5,8,11,14-tetraenoic acid"	""	""	"CCCCC(/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O"	"JEKNPVYFNMZRJG-UFINWASNSA-N"	"InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14-"	""	""	""
"6291"	"1,6-hexamethylene diisocyanate"	""	"Synthetic organic"	""	""	""	""	"178102911"	"13192"	""	""	"CHEMBL1896533"	""	""	""	""	"1,6-Diisocyanatohexane"	""	"HDI|HMDI"	"O=C=NCCCCCCN=C=O"	"RRAMGCGOFNQTLD-UHFFFAOYSA-N"	"InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2"	""	""	""
"12600"	"17&alpha;-estradiol"	""	"Metabolite"	""	""	""	""	"479821390"	"68570"	""	""	"CHEMBL286452"	""	""	""	""	"(8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol"	""	"17&alpha;-E2|17-alpha-Estradiol|17-epi-Estradiol|17a-estradiol|Alfatradiol&reg;"	"C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O"	"VOXZDWNPVJITMN-SFFUCWETSA-N"	"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1"	""	""	""
"5103"	"17&alpha;-hydroxypregnenolone"	""	"Metabolite"	""	""	""	""	"178101796"	"91451"	""	""	"CHEMBL408706"	""	""	""	""	"1-[(1S,2R,5S,10R,11S,14R,15S)-5,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]ethan-1-one"	""	"17&alpha; hydroxypregnenolone|17-hydroxypregnenolone|17-OH-pregnenolone"	"O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@]2(O)C(=O)C)C)C1)C"	"JERGUCIJOXJXHF-TVWVXWENSA-N"	"InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1"	""	""	""
"5104"	"17&alpha;-hydroxyprogesterone"	""	"Metabolite"	""	""	""	""	"178101797"	"6238"	""	""	"CHEMBL1062"	""	""	""	""	"(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one"	""	"17&alpha; hydroxyprogesterone|17-OH progesterone|17OHP"	"O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C"	"DBPWSSGDRRHUNT-CEGNMAFCSA-N"	"InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1"	""	""	""
"1013"	"17&beta;-estradiol"	""	"Metabolite"	"yes"	""	""	""	"135651381"	"5757"	""	""	"CHEMBL135"	""	""	""	""	"(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol"	"estradiol"	"E2|estrogen|oestrodiol|oestrogen"	"Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C"	"VOXZDWNPVJITMN-ZBRFXRBCSA-N"	"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1"	""	""	""
"8851"	"17-octadecynoic acid"	""	"Synthetic organic"	""	""	""	""	"252827508"	"1449"	""	""	"CHEMBL182310"	""	""	""	""	"octadec-17-ynoic acid"	""	"17-ODYA"	"C#CCCCCCCCCCCCCCCCC(=O)O"	"DZIILFGADWDKMF-UHFFFAOYSA-N"	"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1H,3-17H2,(H,19,20)"	"yes"	""	""
"1912"	"17-phenyl-<i>&omega;</i>-trinor-PGE<sub>2</sub>"	""	"Synthetic organic"	""	""	""	""	"135651383"	"5283068"	""	""	"CHEMBL1879970"	""	""	""	""	"(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid"	""	"17-Ph-&omega;-trinor-PGE2|17-phenyl-<i>&omega;</i>-trinor-prostaglandin E2|17-phenyl-PGE<sub>2</sub>|17-phenyl-trinor-PGE2|17-pt-PGE2"	"OC(=O)CCC/C=C\C[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O"	"FOBVMYJQWZOGGJ-XYRJXBATSA-N"	"InChI=1S/C23H30O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-20,22,24,26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,22+/m0/s1"	""	""	""
"9832"	"[18F]PF-06684511"	""	"Synthetic organic"	""	""	"yes"	"yes"	"374883830"	"134611882"	""	""	""	""	""	""	""	"N-[3-[(4aS,5S,7aS)-2-amino-5-(fluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide"	""	""	"[18F]CC1OCC2(C1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)OC"	"YZXTXNWZTAVDKH-LRFGSCOBSA-N"	"InChI=1S/C19H19F2N5O3S/c1-28-16-7-23-14(6-24-16)17(27)25-10-2-3-13(21)11(4-10)19-9-29-15(5-20)12(19)8-30-18(22)26-19/h2-4,6-7,12,15H,5,8-9H2,1H3,(H2,22,26)(H,25,27)/i20-1"	""	""	""
"6924"	"18-HETE"	""	"Metabolite"	""	""	""	""	"178103506"	"6442778"	""	""	""	""	""	""	""	"(5Z,8Z,11Z,14Z)-18-hydroxyicosa-5,8,11,14-tetraenoic acid"	""	""	"CCC(CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O"	"PPCHNRUZQWLEMF-XBOCNYGYSA-N"	"InChI=1S/C20H32O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,19,21H,2-3,8-9,14-18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-"	""	""	""
"3400"	"18R-HEPE"	""	"Metabolite"	""	""	""	""	"178100412"	"16061126"	""	""	""	""	""	""	""	"(5Z,8Z,11Z,14Z,16E,18R)-18-hydroxyicosa-5,8,11,14,16-pentaenoic acid"	""	"18R HEPE|18R-hydroxyeicosapentaenoic acid"	"CC[C@H](/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O"	"LRWYBGFSVUBWMO-UAAZXLHOSA-N"	"InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m1/s1"	""	""	""
"5105"	"18S-HEPE"	""	"Metabolite"	""	""	""	""	"178101798"	"52921893"	""	""	""	""	""	""	""	"(5Z,8Z,11Z,14Z,16E,18S)-18-hydroxyicosa-5,8,11,14,16-pentaenoic acid"	""	"18S-hydroxyeicosapentaenoate"	"CC[C@@H](/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O"	"LRWYBGFSVUBWMO-OKIFYYRFSA-N"	"InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m0/s1"	""	""	""
"5106"	"18S-resolvin E1"	""	"Metabolite"	""	""	""	""	"178101799"	"52921890"	""	""	""	""	""	""	""	"(5S,6Z,8E,10E,12R,14Z,16E,18S)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid"	""	"18S-RvE1"	"CC[C@@H](/C=C/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O)O"	"AOPOCGPBAIARAV-JJVMZPRHSA-N"	"InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18-,19+/m0/s1"	"yes"	""	""
"12741"	"'1988"	""	"Synthetic organic"	""	""	""	""	"483123289"	"167820262"	""	""	""	""	""	""	""	"[2-(4-bromoanilino)-2-oxoethyl] 3-(furan-3-yl)-1H-pyrazole-5-carboxylate"	""	"Z795161988"	"BrC=1C=CC(NC(=O)COC(=O)C2=CC(=NN2)C=3C=COC3)=CC1"	"ANPNOSKPPVUFTH-UHFFFAOYSA-N"	"InChI=1S/C16H12BrN3O4/c17-11-1-3-12(4-2-11)18-15(21)9-24-16(22)14-7-13(19-20-14)10-5-6-23-8-10/h1-8H,9H2,(H,18,21)(H,19,20)"	""	""	""
"4100"	"1,9-dideoxyforskolin"	""	"Natural product"	""	""	""	""	"178100923"	"107948"	""	""	"CHEMBL519570"	""	""	""	""	"(3R,4aS,5S,6S,6aS,10aS,10bR)-3-ethenyl-6-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho[2,1-b]pyran-5-yl acetate"	""	""	"C=C[C@@]1(C)CC(=O)[C@H]2[C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)CCCC1(C)C)O"	"ZKZMDXUDDJYAIB-SUCLLAFCSA-N"	"InChI=1S/C22H34O5/c1-8-20(5)12-14(24)16-21(6)11-9-10-19(3,4)17(21)15(25)18(26-13(2)23)22(16,7)27-20/h8,15-18,25H,1,9-12H2,2-7H3/t15-,16+,17-,18-,20-,21+,22-/m0/s1"	""	""	""
"1947"	"19(<i>R</i>)-OH-PGE<sub>2</sub>"	""	"Metabolite"	""	""	""	""	"135651384"	"5283038"	""	""	""	""	""	""	""	"(Z)-7-[(1R,2R,3R)-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid"	""	"19(<i>R</i>)-hydroxy-PGE<sub>2</sub>|19R-(OH)-PGE<sub>2</sub>"	"O[C@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)CCC[C@H](O)C"	"WTJYDBMHYPQFNJ-ZUVVJKHESA-N"	"InChI=1S/C20H32O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h2,4,11-12,14-17,19,21-22,24H,3,5-10,13H2,1H3,(H,25,26)/b4-2-,12-11+/t14-,15+,16-,17-,19-/m1/s1"	""	""	""
"6298"	"1'-acetoxychavicol acetate"	""	"Synthetic organic"	""	""	""	""	"178102918"	"119104"	""	""	"CHEMBL323727"	""	""	""	""	"[4-[(1S)-1-acetyloxyprop-2-enyl]phenyl] acetate"	""	""	"C=C[C@@H](c1ccc(cc1)OC(=O)C)OC(=O)C"	"JAMQIUWGGBSIKZ-ZDUSSCGKSA-N"	"InChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1"	""	""	""
"3136"	"1-allyl-2-[3-(isopropylamino)propoxy]-9H-carbazole"	""	"Synthetic organic"	""	""	""	""	"135649655"	"9949081"	""	""	""	""	""	""	""	"(3-{[1-(prop-2-en-1-yl)-9H-carbazol-2-yl]oxy}propyl)(propan-2-yl)amine"	""	""	"C=CCc1c(OCCCNC(C)C)ccc2c1[nH]c1c2cccc1"	"UQDMMPHZGIOABI-UHFFFAOYSA-N"	"InChI=1S/C21H26N2O/c1-4-8-18-20(24-14-7-13-22-15(2)3)12-11-17-16-9-5-6-10-19(16)23-21(17)18/h4-6,9-12,15,22-23H,1,7-8,13-14H2,2-3H3"	""	""	""
"3135"	"1-allyl-2-[3-(isopropylamino)propoxy]-9H-xanthen-9-one"	""	"Synthetic organic"	""	""	""	""	"135649656"	"56947004"	""	""	""	""	""	""	""	"1-(prop-2-en-1-yl)-2-{3-[(propan-2-yl)amino]propoxy}-9H-xanthen-9-one"	""	""	"C=CCc1c(OCCCNC(C)C)ccc2c1c(=O)c1c(o2)cccc1"	"NZEPLPVSYIYMMM-UHFFFAOYSA-N"	"InChI=1S/C22H25NO3/c1-4-8-16-18(25-14-7-13-23-15(2)3)11-12-20-21(16)22(24)17-9-5-6-10-19(17)26-20/h4-6,9-12,15,23H,1,7-8,13-14H2,2-3H3"	""	""	""
"711"	"1-arylmethylpyrrolidin-2-yl ethanol amine"	""	"Synthetic organic"	""	""	""	""	"135649657"	"44405854"	""	""	"CHEMBL200312"	""	""	""	""	"3-{[(2R)-2-[(1R)-2-{[1-(1-benzothiophen-2-yl)-2-methylpropan-2-yl]amino}-1-hydroxyethyl]pyrrolidin-1-yl]methyl}benzonitrile"	""	"compound 26a [PMID: 16216508]"	"N#Cc1cccc(c1)CN1CCC[C@@H]1[C@@H](CNC(Cc1cc2c(s1)cccc2)(C)C)O"	"HCLQARMRCPEALF-DNQXCXABSA-N"	"InChI=1S/C26H31N3OS/c1-26(2,15-22-14-21-9-3-4-11-25(21)31-22)28-17-24(30)23-10-6-12-29(23)18-20-8-5-7-19(13-20)16-27/h3-5,7-9,11,13-14,23-24,28,30H,6,10,12,15,17-18H2,1-2H3/t23-,24-/m1/s1"	""	""	""
"8018"	"1-azakenpaullone"	""	"Synthetic organic"	""	""	""	""	"249565698"	"6538897"	""	""	"CHEMBL336961"	""	""	""	""	""	""	"azakenpaullone"	"O=C1Nc2cccnc2c2c(C1)c1cc(Br)ccc1[nH]2"	"NTSBZVCEIVPKBJ-UHFFFAOYSA-N"	"InChI=1S/C15H10BrN3O/c16-8-3-4-11-9(6-8)10-7-13(20)18-12-2-1-5-17-15(12)14(10)19-11/h1-6,19H,7H2,(H,18,20)"	""	""	""
"1436"	"1-benzyl-APDC"	""	"Synthetic organic"	""	""	""	""	"135649658"	"15508178"	""	""	"CHEMBL60238"	""	""	""	""	"4-amino-1-(phenylmethyl)pyrrolidine-2,4-dicarboxylic acid"	""	""	"OC(=O)[C@H]1C[C@](CN1Cc1ccccc1)(N)C(=O)O"	"LYCSUAGKQMUTBR-ZWNOBZJWSA-N"	"InChI=1S/C13H16N2O4/c14-13(12(18)19)6-10(11(16)17)15(8-13)7-9-4-2-1-3-5-9/h1-5,10H,6-8,14H2,(H,16,17)(H,18,19)/t10-,13-/m1/s1"	""	""	""
"6991"	"[1-bromo-(3S)-hydrox-4-(palmitoyloxy)butyl]phosphate"	""	"Synthetic organic"	""	""	""	""	"178103570"	"23682233"	""	""	""	""	""	""	""	"sodium;[(3S)-1-bromo-4-hexadecanoyloxy-3-hydroxybutyl]-hydroxyphosphinate"	""	""	"CCCCCCCCCCCCCCCC(=O)OC[C@H](CC(P(=O)(O[Na])O)Br)O"	"XCUPLWPVEJCIBO-HMEPSURWSA-M"	"InChI=1S/C20H40BrO6P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23)27-17-18(22)16-19(21)28(24,25)26;/h18-19,22H,2-17H2,1H3,(H2,24,25,26);/q;+1/p-1/t18-,19?;/m0./s1"	""	""	""
"4642"	"1-deoxynojirimycin"	""	"Natural product"	""	""	""	""	"178101359"	"29435"	""	""	"CHEMBL307429"	""	""	""	""	"(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol"	""	"AT-2220|duvoglustat|S-GI"	"OC[C@H]1NC[C@@H]([C@H]([C@@H]1O)O)O"	"LXBIFEVIBLOUGU-JGWLITMVSA-N"	"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1"	""	""	""
"4744"	"1-deoxynojirimycin-1-sulfonic acid"	""	"Synthetic organic"	""	""	""	""	"178101455"	"11128501"	""	""	""	""	""	""	""	"(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidine-2-sulfonic acid"	""	""	"OC[C@H]1N[C@H]([C@@H]([C@H]([C@@H]1O)O)O)S(=O)(=O)O"	"PLICPKOWHZITQE-DVKNGEFBSA-N"	"InChI=1S/C6H13NO7S/c8-1-2-3(9)4(10)5(11)6(7-2)15(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4+,5-,6+/m1/s1"	""	""	""
"1477"	"1DMe"	""	"Peptide"	""	""	""	""	"135651955"	"132709"	""	""	""	""	""	""	""	"(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide"	""	"[D-Tyr<sup>1</sup>,(NMe)Phe<sup>3</sup>]neuropeptide FF|[D.Tyr<sup>1</sup>,(N.Me)Phe<sup>3</sup>]NPFF"	"CC(C[C@H](N(C(=O)[C@H](Cc1ccc(cc1)O)N)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CCCN=C(N)N)CCC(=O)N)CCC(=O)N)Cc1ccccc1)C"	"UQGBICZACVFETI-YTAGXALCSA-N"	"InChI=1S/C55H78N14O11/c1-32(2)28-44(68(3)53(79)37(56)29-35-18-20-36(70)21-19-35)52(78)67-42(31-34-14-8-5-9-15-34)50(76)65-40(23-25-46(58)72)54(80)69-27-11-17-43(69)51(77)64-39(22-24-45(57)71)49(75)63-38(16-10-26-62-55(60)61)48(74)66-41(47(59)73)30-33-12-6-4-7-13-33/h4-9,12-15,18-21,32,37-44,70H,10-11,16-17,22-31,56H2,1-3H3,(H2,57,71)(H2,58,72)(H2,59,73)(H,63,75)(H,64,77)(H,65,76)(H,66,74)(H,67,78)(H4,60,61,62)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1"	""	""	""
"8551"	"1G244"	""	"Synthetic organic"	""	""	""	""	"252166752"	"56658139"	""	""	"CHEMBL1814633"	""	""	""	""	"(2S)-2-amino-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione"	""	""	"N[C@H](C(=O)N1Cc2c(C1)cccc2)CC(=O)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F"	"ZKIQFLSGMMYCGS-SANMLTNESA-N"	"InChI=1S/C29H30F2N4O2/c30-24-9-5-20(6-10-24)28(21-7-11-25(31)12-8-21)34-15-13-33(14-16-34)27(36)17-26(32)29(37)35-18-22-3-1-2-4-23(22)19-35/h1-12,26,28H,13-19,32H2/t26-/m0/s1"	""	""	""
"1365"	"(1<i>S</i>,3<i>R</i>)-ACPD"	""	"Synthetic organic"	""	""	""	""	"135649666"	"104766"	""	""	"CHEMBL34453"	""	""	""	""	"(1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid"	""	"(1<i>S</i>,3<i>R</i>)-1-ACPD|(1<i>S</i>,3<i>S</i>)-ACPD|1S,3R-ACPD|trans-ACPD"	"OC(=O)[C@@H]1CC[C@@](C1)(N)C(=O)O"	"YFYNOWXBIBKGHB-FBCQKBJTSA-N"	"InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1"	""	""	""
"6500"	"1-methylcyclopropanecarboxylic acid"	""	"Synthetic organic"	""	""	""	""	"178103114"	"81326"	""	""	""	""	""	""	""	"1-methylcyclopropane-1-carboxylic acid"	""	""	"OC(=O)C1(C)CC1"	"DIZKLZKLNKQFGB-UHFFFAOYSA-N"	"InChI=1S/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)"	""	""	""
"8225"	"1-methyl-L-tryptophan"	""	"Synthetic organic"	""	""	""	""	"249565905"	"676159"	""	""	"CHEMBL504816"	""	""	""	""	"(2S)-2-amino-3-(1-methylindol-3-yl)propanoic acid"	""	"1-L-MT|1-LMT"	"OC(=O)[C@H](Cc1cn(c2c1cccc2)C)N"	"ZADWXFSZEAPBJS-JTQLQIEISA-N"	"InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1"	""	""	""
"4694"	"1-methyltryptophan"	""	"Synthetic organic"	""	""	""	""	"178101407"	"98112"	""	""	"CHEMBL513172"	""	""	""	""	"2-amino-3-(1-methyl-1H-indol-3-yl)propanoic acid"	""	""	"OC(=O)C(Cc1cn(c2c1cccc2)C)N"	"ZADWXFSZEAPBJS-UHFFFAOYSA-N"	"InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)"	""	""	""
"3"	"1-naphthylpiperazine"	""	"Synthetic organic"	""	""	""	""	"135649669"	"1342"	""	""	"CHEMBL277120"	""	""	""	""	"1-naphthalen-1-ylpiperazine"	""	"1-NP"	"N1CCN(CC1)c1cccc2c1cccc2"	"VNICFCQJUVFULD-UHFFFAOYSA-N"	"InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2"	""	""	""
"1944"	"1-OH-PGE<sub>1</sub>"	""	"Metabolite"	""	""	""	""	"135651385"	"6438402"	""	""	""	""	""	""	""	"7-[(1R,2R,3R)-2-[(E,3S)-3,7-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid"	""	"19-hydroxy-PGE1|19-hydroxyprostaglandin E1|19-OH PGE1"	"O[C@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)CCCC(O)C"	"QVVXWHIDRKRPMO-LXCOYWBSSA-N"	"InChI=1S/C20H34O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h11-12,14-17,19,21-22,24H,2-10,13H2,1H3,(H,25,26)/b12-11+/t14?,15-,16+,17+,19+/m0/s1"	""	""	""
"5756"	"1-oleoyl glycerol"	""	"Synthetic organic"	""	""	""	""	"178102381"	"5283468"	""	""	"CHEMBL428593"	""	""	""	""	"2,3-dihydroxypropyl (Z)-octadec-9-enoate"	""	""	"CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O"	"RZRNAYUHWVFMIP-KTKRTIGZSA-N"	"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-"	""	""	""
"5650"	"1-palmitoyl-lysophosphatidylcholine"	""	"Metabolite"	""	""	""	""	"178102278"	"10097314"	""	""	""	""	""	""	""	"[(2S)-3-hexadecanoyloxy-2-hydroxypropyl] 2-trimethylazaniumylethyl phosphate"	""	"LPC 16:0|lysophosphatidylcholine(16:0)"	"CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])O"	"ASWBNKHCZGQVJV-QHCPKHFHSA-N"	"InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/t23-/m0/s1"	""	""	""
"2284"	"1-phenylbiguanide"	""	"Synthetic organic"	""	""	""	""	"135649670"	"4780"	""	""	"CHEMBL13791"	""	""	""	""	"1-(diaminomethylidene)-2-phenylguanidine"	""	""	"NC(=Nc1ccccc1)N=C(N)N"	"CUQCMXFWIMOWRP-UHFFFAOYSA-N"	"InChI=1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)"	""	""	""
"10138"	"1R-11"	""	"Synthetic organic"	""	""	""	""	"381118848"	"134264089"	""	""	""	""	""	""	""	"methyl (E,5S,6R)-5,6-dihydroxy-8-[5-[(1R)-1-hydroxyhexyl]-1,2-dimethylimidazol-4-yl]oct-7-enoate"	""	""	"CCCCC[C@H](c1c(/C=C/[C@H]([C@H](CCCC(=O)OC)O)O)nc(n1C)C)O"	"PLBGFBROZZUTKG-PHCFSIKCSA-N"	"InChI=1S/C20H34N2O5/c1-5-6-7-9-18(25)20-15(21-14(2)22(20)3)12-13-17(24)16(23)10-8-11-19(26)27-4/h12-13,16-18,23-25H,5-11H2,1-4H3/b13-12+/t16-,17+,18+/m0/s1"	"yes"	""	""
"14062"	"1-SORA-51"	""	"Synthetic organic"	""	""	""	""	"518520689"	"90286489"	""	""	"CHEMBL4798102"	""	""	""	""	"[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone"	""	""	"FC1(F)CCN(C[C@@H]1OC2=NC3=CC=CC=C3C=C2)C(=O)C4=CC=CN5C=CN=C45"	"OAATXFVQEMAHDA-SFHVURJKSA-N"	"InChI=1S/C22H18F2N4O2/c23-22(24)9-12-28(21(29)16-5-3-11-27-13-10-25-20(16)27)14-18(22)30-19-8-7-15-4-1-2-6-17(15)26-19/h1-8,10-11,13,18H,9,12,14H2/t18-/m0/s1"	""	""	""
"5651"	"1-stearoyl-lysophosphatidylcholine"	""	"Metabolite"	""	""	""	""	"178102279"	"497299"	""	""	"CHEMBL3093101"	""	""	""	""	"[(2R)-2-hydroxy-3-octadecanoyloxypropyl] 2-trimethylazaniumylethyl phosphate"	""	"LPC 18:0|lysophosphatidylcholine (18:0)|stearoyl alpha-lysolecithin"	"CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OCC[N+](C)(C)C)[O-])O"	"IHNKQIMGVNPMTC-RUZDIDTESA-N"	"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1"	""	""	""
"4103"	"20-HETE"	""	"Metabolite"	""	""	""	""	"178100926"	"5283157"	""	""	""	""	""	""	""	"(5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoic acid"	""	"20-hydroxyeicosatetraenoic acid"	"OCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O"	"NNDIXBJHNLFJJP-DTLRTWKJSA-N"	"InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-"	""	""	""
"3399"	"20-hydroxy-LTB<sub>4</sub>"	""	"Metabolite"	""	""	""	""	"135651386"	"5280745"	""	""	"CHEMBL1593789"	""	""	""	""	"(5S,6Z,8E,10E,12R,14Z)-5,12,20-trihydroxyicosa-6,8,10,14-tetraenoic acid"	""	""	"OCCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O"	"PTJFJXLGRSTECQ-PSPARDEHSA-N"	"InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1"	""	""	""
"3434"	"20S-hydroxycholesterol"	""	"Metabolite"	""	""	""	""	"178100436"	"66764985"	""	""	""	""	""	""	""	"(3R,8S,9S,10R,13R,14S,17R)-17-[(1S)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol"	""	"20<i>S</i>-OHC"	"CC(CCC[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)C(O)C[C@@H](C2)O)C)C"	"UXFVRWPSABSGRQ-GFHPJIRMSA-N"	"InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)16-25(29)27(19,5)24(21)13-14-26(22,23)4/h9,17-18,20-25,28-29H,6-8,10-16H2,1-5H3/t18-,20+,21-,22+,23-,24-,25?,26+,27-/m0/s1"	""	""	""
"6329"	"2,2,2-TEMPS"	""	"Synthetic organic"	""	""	""	""	"178102947"	"11362035"	""	""	"CHEMBL105296"	""	""	""	""	"2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide"	""	""	"CCCC(Oc1cccc(c1)N(S(=O)(=O)CC(F)(F)F)Cc1cccnc1)C"	"ICFXZBZASBXILF-UHFFFAOYSA-N"	"InChI=1S/C19H23F3N2O3S/c1-3-6-15(2)27-18-9-4-8-17(11-18)24(13-16-7-5-10-23-12-16)28(25,26)14-19(20,21)22/h4-5,7-12,15H,3,6,13-14H2,1-2H3"	""	""	""
"3213"	"2,2-difluoromevalonate 5-diphosphate"	""	"Synthetic organic"	""	""	""	""	"135649680"	"24779755"	""	""	"CHEMBL1162018"	""	""	""	""	"2,2-difluoro-3-hydroxy-5-(hydroxy-phosphonooxyphosphoryl)oxy-3-methylpentanoic acid"	""	""	"OC(=O)C(C(CCOP(=O)(OP(=O)(O)O)O)(O)C)(F)F"	"TYAGFMDNISQMRJ-UHFFFAOYSA-N"	"InChI=1S/C6H12F2O10P2/c1-5(11,6(7,8)4(9)10)2-3-17-20(15,16)18-19(12,13)14/h11H,2-3H2,1H3,(H,9,10)(H,15,16)(H2,12,13,14)"	""	""	""
"1729"	"2,2'-pyridylisatogen tosylate"	""	"Synthetic organic"	""	""	""	""	"135649681"	"124333"	""	""	"CHEMBL1364808"	""	""	""	""	"4-methylbenzenesulfonic acid; 1-oxido-2-pyridin-2-ylindol-1-ium-3-one"	""	"PIT"	"[O-][N+]1=C(c2ccccn2)C(=O)c2c1cccc2.Cc1ccc(cc1)S(=O)(=O)O"	"MMPTYEXNPWSTOR-UHFFFAOYSA-N"	"InChI=1S/C13H8N2O2.C7H8O3S/c16-13-9-5-1-2-7-11(9)15(17)12(13)10-6-3-4-8-14-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H;2-5H,1H3,(H,8,9,10)"	""	""	""
"2742"	"22R-hydroxycholesterol"	""	"Metabolite"	""	""	""	""	"135651388"	"167685"	""	""	"CHEMBL422904"	""	""	""	""	"(3S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"	""	"22&beta;-hydroxycholesterol|22R-OHC"	"CC(CC[C@H]([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C)O)C"	"RZPAXNJLEKLXNO-GFKLAVDKSA-N"	"InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1"	""	""	""
"1193"	"2-(2-thiazolyl)ethanamine"	""	"Synthetic organic"	""	""	""	""	"135649682"	"87653"	""	""	"CHEMBL25414"	""	""	""	""	"2-(1,3-thiazol-2-yl)ethanamine"	""	"2-(2-aminoethyl)thiazole|2-thiazoleethanamine|2-thiazolylethylamine"	"NCCc1nccs1"	"TWZOYAWHWDRMEZ-UHFFFAOYSA-N"	"InChI=1S/C5H8N2S/c6-2-1-5-7-3-4-8-5/h3-4H,1-2,6H2"	""	""	""
"12963"	"2,3',4,5'-Tetramethoxystilbene"	""	"Synthetic organic"	""	""	""	""	"485206084"	"5354004"	""	""	"CHEMBL46909"	""	""	""	""	"1-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxy-benzene"	""	""	"COC1=CC(=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)OC)OC"	"JDBCWSHYEQUBLW-AATRIKPKSA-N"	"InChI=1S/C18H20O4/c1-19-15-8-7-14(18(12-15)22-4)6-5-13-9-16(20-2)11-17(10-13)21-3/h5-12H,1-4H3/b6-5+"	""	""	""
"1194"	"2-(3-bromophenyl)histamine"	""	"Synthetic organic"	""	""	""	""	"135649684"	"23786499"	""	""	"CHEMBL26116"	""	""	""	""	"2-[2-(3-bromophenyl)-3H-imidazol-4-yl]ethanamine"	""	""	"NCCc1cnc([nH]1)c1cccc(c1)Br"	"VSKJPAMQPJDPLL-UHFFFAOYSA-N"	"InChI=1S/C11H12BrN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15)"	""	""	""
"9207"	"2'3'-cGAMP"	""	"Metabolite"	""	""	""	""	"315661283"	"135564529"	""	""	""	""	""	""	""	""	""	"cyclic [G(2',5')pA(3',5')p]|cyclic GMP-AMP|Cyclic guanosine monophosphate-adenosine monophosphate"	"Nc1nc(=O)c2c([nH]1)n(cn2)[C@@H]1O[C@H]2[C@H]([C@H]1OP(=O)(O)OC[C@@H]1[C@@H](OP(=O)(OC2)O)[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O)O"	"XRILCFTWUCUKJR-INFSMZHSSA-N"	"InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1"	"yes"	""	""
"1195"	"2-(3-chlorophenyl)histamine"	""	"Synthetic organic"	""	""	""	""	"135649685"	"14827778"	""	""	"CHEMBL287052"	""	""	""	""	"2-[2-(3-chlorophenyl)-3H-imidazol-4-yl]ethanamine"	""	""	"NCCc1cnc([nH]1)c1cccc(c1)Cl"	"DHGUFKPZDMQBED-UHFFFAOYSA-N"	"InChI=1S/C11H12ClN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15)"	""	""	""
"1709"	"2',3'-ddATP"	""	"Metabolite"	""	""	""	""	"135651389"	"65304"	""	""	"CHEMBL1383"	""	""	""	""	"[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate"	""	""	"Nc1ncnc2c1ncn2[C@H]1CC[C@H](O1)COP(=O)(OP(=O)(OP(=O)(O)O)O)O"	"OAKPWEUQDVLTCN-NKWVEPMBSA-N"	"InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1"	""	""	""
"3486"	"2,3-dihydro-1,4-dithiin-1,1,4,4-tetroxide"	""	"Synthetic organic"	""	""	""	""	"178100476"	"20549618"	""	""	""	""	""	""	""	"2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide"	""	""	"O=S1(=O)CCS(=O)(=O)C=C1"	"YNEKVCMDWXAQGQ-UHFFFAOYSA-N"	"InChI=1S/C4H6O4S2/c5-9(6)1-2-10(7,8)4-3-9/h1-2H,3-4H2"	""	""	""
"1196"	"2-(3-iodophenyl)histamine"	""	"Synthetic organic"	""	""	""	""	"135649687"	"10245039"	""	""	"CHEMBL287367"	""	""	""	""	"2-[2-(3-iodophenyl)-3H-imidazol-4-yl]ethanamine"	""	""	"NCCc1cnc([nH]1)c1cccc(c1)I"	"OPICWPJAKDPOOB-UHFFFAOYSA-N"	"InChI=1S/C11H12IN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15)"	""	""	""
"4102"	"2,4-epi-neodysiherbaine"	""	"Synthetic organic"	""	""	""	""	"178100925"	"73755077"	""	""	""	""	""	""	""	"(2R,6S,7S)-2-[(2R)-2-azaniumyl-2-carboxylatoethyl]-6,7-dihydroxy-hexahydro-2H-furo[3,2-b]pyran-2-carboxylate"	""	"2,4-epi-neoDH"	"[O-]C(=O)[C@@H](C[C@@]1(CC2C(O1)[C@@H](O)[C@H](CO2)O)C(=O)[O-])[NH3+]"	"NRTJEXLNSCGBJU-LUHIGIFZSA-M"	"InChI=1S/C11H17NO8/c12-4(9(15)16)1-11(10(17)18)2-6-8(20-11)7(14)5(13)3-19-6/h4-8,13-14H,1-3,12H2,(H,15,16)(H,17,18)/p-1/t4-,5+,6?,7+,8?,11-/m1/s1"	""	""	""
"2751"	"24(S), 25-epoxycholesterol"	""	"Metabolite"	""	""	""	""	"135651390"	"3247059"	""	""	"CHEMBL434302"	""	""	""	""	"(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"	""	"24,25-epoxy-cholesterol"	"O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CC[C@@H]2OC2(C)C)C)C)C1)C"	"OSENKJZWYQXHBN-XVYZBDJZSA-N"	"InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1"	""	""	""
"2750"	"24(S)-hydroxycholesterol"	""	"Metabolite"	""	""	""	""	"135651391"	"121948"	""	""	"CHEMBL171804"	""	""	""	""	"(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"	""	"24<i>s</i>-OHC|24S-Hydroxycholesterol|cerebrosterol|cholest-5-ene-3,24-diol"	"O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CC[C@@H](C(C)C)O)C)C)C1)C"	"IOWMKBFJCNLRTC-XWXSNNQWSA-N"	"InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1"	""	""	""
"5108"	"2',5'-dideoxyadenosine"	""	"Metabolite"	""	""	""	""	"178101801"	"65166"	""	""	"CHEMBL1253350"	""	""	""	""	"(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-methyloxolan-3-ol"	""	""	"O[C@H]1C[C@@H](O[C@@H]1C)n1cnc2c1ncnc2N"	"FFHPXOJTVQDVMO-DSYKOEDSSA-N"	"InChI=1S/C10H13N5O2/c1-5-6(16)2-7(17-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7,16H,2H2,1H3,(H2,11,12,13)/t5-,6+,7-/m1/s1"	""	""	""
"2885"	"25-hydroxycholesterol"	""	"Metabolite"	""	""	""	""	"135651392"	"65094"	""	""	"CHEMBL169046"	""	""	""	""	"(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"	""	"25-OHC"	"O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(O)(C)C)C)C)C1)C"	"INBGSXNNRGWLJU-ZHHJOTBYSA-N"	"InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1"	""	""	""
"6529"	"264W94"	""	"Synthetic organic"	""	""	""	""	"178103143"	"9823277"	""	""	"CHEMBL332370"	""	""	""	""	"(3R,5R)-3-butyl-3-ethyl-7,8-dimethoxy-5-phenyl-4,5-dihydro-2H-benzo[f][1,4]thiazepine 1,1-dioxide"	""	""	"CCCC[C@@]1(CC)N[C@H](c2ccccc2)c2c(S(=O)(=O)C1)cc(c(c2)OC)OC"	"CKFWDLFFXXVSBJ-DHIUTWEWSA-N"	"InChI=1S/C23H31NO4S/c1-5-7-13-23(6-2)16-29(25,26)21-15-20(28-4)19(27-3)14-18(21)22(24-23)17-11-9-8-10-12-17/h8-12,14-15,22,24H,5-7,13,16H2,1-4H3/t22-,23-/m1/s1"	""	""	""
"2752"	"27-hydroxycholesterol"	""	"Metabolite"	""	""	""	""	"135651393"	"123976"	""	""	"CHEMBL353882"	""	""	""	""	"(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"	""	"26-hydroxycholesterol|27-OHC"	"OC[C@@H](CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C)C"	"FYHRJWMENCALJY-YSQMORBQSA-N"	"InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1"	""	""	""
"12740"	"'2882"	""	"Synthetic organic"	""	""	""	""	"483123288"	"166191898"	""	""	""	""	""	""	""	"(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate"	""	"Z793205438|ZINC000061142882"	"BrC=1C=CC2=NC(COC(=O)C=3C=C(NN3)C4=CC=CO4)=CN2C1"	"DNKPYZWXJLENHX-UHFFFAOYSA-N"	"InChI=1S/C16H11BrN4O3/c17-10-3-4-15-18-11(8-21(15)7-10)9-24-16(22)13-6-12(19-20-13)14-2-1-5-23-14/h1-8H,9H2,(H,19,20)"	""	""	""
"6719"	"29-methylidene-2,3-oxidosqualene"	""	"Synthetic organic"	""	""	""	""	"178103330"	"6438780"	""	""	""	""	""	""	""	"2,2-dimethyl-3-[(3E,7E,11E,15E,19Z)-3,7,12-trimethyl-16-prop-2-enylhenicosa-3,7,11,15,19-pentaenyl]oxirane"	""	"29-MOS"	"C/C=C\CC/C(=C\CC/C(=C/CC/C=C(/CC/C=C(/CCC1OC1(C)C)\C)\C)/C)/CC=C"	"DOTTUEYUTNVWMJ-KSTFQPQISA-N"	"InChI=1S/C31H50O/c1-8-10-11-22-29(16-9-2)23-15-21-27(4)18-13-12-17-26(3)19-14-20-28(5)24-25-30-31(6,7)32-30/h8-10,17-18,20,23,30H,2,11-16,19,21-22,24-25H2,1,3-7H3/b10-8-,26-17+,27-18+,28-20+,29-23-"	""	""	""
"4695"	"2-amino-3-sulfinopropanoic acid"	""	"Synthetic organic"	""	""	""	""	"178101408"	"109"	""	""	"CHEMBL1702607"	""	""	""	""	"2-amino-3-sulfinopropanoic acid"	""	"3-sulfinoalanine|cysteine sulfinate"	"OS(=O)CC(C(=O)O)N"	"ADVPTQAUNPRNPO-UHFFFAOYSA-N"	"InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)"	""	""	""
"5111"	"2-amino-4-methylpyridine"	""	"Synthetic organic"	""	""	""	""	"178101804"	"1533"	""	""	"CHEMBL40833"	""	""	""	""	"4-methylpyridin-2-amine"	""	""	"Cc1ccnc(c1)N"	"ORLGLBZRQYOWNA-UHFFFAOYSA-N"	"InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)"	""	""	""
"6201"	"2-amino-uridine-5'-monophosphate"	""	"Synthetic organic"	""	""	""	""	"178102822"	"49867142"	""	""	"CHEMBL1233534"	""	""	""	""	"{[(2R,3S,4R,5R)-5-(2-amino-4-oxo-1,4-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid"	""	"compound 13g [PMID: 21417463]|iso-CMP"	"O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)nc1N)COP(=O)(O)O"	"ONSQLDCEJIIUJS-XVFCMESISA-N"	"InChI=1S/C9H14N3O8P/c10-9-11-5(13)1-2-12(9)8-7(15)6(14)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,14-15H,3H2,(H2,10,11,13)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1"	""	""	""
"2433"	"2-APB"	""	"Synthetic organic"	""	""	""	""	"135649695"	"1598"	""	""	"CHEMBL169233"	""	""	""	""	"2-di(phenyl)boranyloxyethanamine"	""	"2-aminoethoxydiphenyl borate|2-aminoethoxydiphenylborane"	"NCCOB(c1ccccc1)c1ccccc1"	"BLZVCIGGICSWIG-UHFFFAOYSA-N"	"InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2"	""	""	""
"729"	"2-arachidonoylglycerol"	""	"Metabolite"	""	""	""	""	"135651394"	"5282280"	""	""	"CHEMBL122972"	""	""	""	""	"1,3-Dihydroxy-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoate"	""	"2-AG|2-Ara-Gl|2-arachidonyl-glycerol|2AG"	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO"	"RCRCTBLIHCHWDZ-DOFZRALJSA-N"	"InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-"	""	""	""
"4029"	"2-arachidonoylglycerolphosphoinositol"	""	"Metabolite"	""	""	""	""	"178100855"	"73755068"	""	""	""	""	""	""	""	"[3-hydroxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] (2,3,4,5,6-pentahydroxycyclohexyl) phosphate"	""	"2-AGPI|2-arachidonoyl-glycerol-phosphoinositol|arachidonoyl LPI"	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(COP(=O)(OC1C(O)C(O)C(C(C1O)O)O)[O-])CO"	"OKEQUIXTUXJQNT-DOFZRALJSA-M"	"InChI=1S/C29H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)40-22(20-30)21-39-42(37,38)41-29-27(35)25(33)24(32)26(34)28(29)36/h6-7,9-10,12-13,15-16,22,24-30,32-36H,2-5,8,11,14,17-21H2,1H3,(H,37,38)/p-1/b7-6-,10-9-,13-12-,16-15-"	""	""	""
"5545"	"2-arachidonyl glyceryl ether"	""	"Metabolite"	""	""	""	""	"178102187"	"6483057"	""	""	"CHEMBL146346"	""	""	""	""	"2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]propane-1,3-diol"	""	"2-AG ether|2-arachidonylglyceryl ether|HU 310|Noladin ether"	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO"	"CUJUUWXZAQHCNC-DOFZRALJSA-N"	"InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-"	""	""	""
"272"	"2-bromo-LSD"	""	"Synthetic organic"	""	""	""	""	"135649696"	"10171"	""	""	"CHEMBL274384"	""	""	""	""	"(6aR,9R)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide"	""	"2-br-LSD|2-bromolysergic acid diethylamide|bromolysergide"	"CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)CC"	"VKRAXSZEDRWLAG-SJKOYZFVSA-N"	"InChI=1S/C20H24BrN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1"	""	""	""
"12862"	"2-Butynoic acid"	""	"Synthetic organic"	""	""	""	""	"485205983"	"68535"	""	""	"CHEMBL4073377"	""	""	""	""	"but-2-ynoic acid"	""	"compound 15 [PMID: 21220428]|SCA15|small carboxylic acid 15|tetrolic acid"	"CC#CC(=O)O"	"LUEHNHVFDCZTGL-UHFFFAOYSA-N"	"InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H3,(H,5,6)"	""	""	""
"13549"	"2C-B"	""	"Synthetic organic"	""	""	""	""	"500839959"	"98527"	""	""	"CHEMBL292821"	""	""	""	""	"2-(4-bromo-2,5-dimethoxyphenyl)ethanamine"	""	"BDMPEA"	"BrC1=CC(=C(C=C1OC)CCN)OC"	"YMHOBZXQZVXHBM-UHFFFAOYSA-N"	"InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3"	""	""	""
"372"	"2-chloroadenosine"	""	"Synthetic organic"	""	""	""	""	"135651395"	"8974"	""	""	"CHEMBL285819"	""	""	""	""	"(2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol"	""	"2Cl-Ado|CADO"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N"	"BIXYYZIIJIXVFW-UUOKFMHZSA-N"	"InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1"	""	""	""
"1716"	"2-chloroadenosine-5-triphosphate"	""	"Synthetic organic"	""	""	""	""	"135649697"	"162565"	""	""	"CHEMBL1368696"	""	""	""	""	"[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate"	""	"2-chloro-ATP|2-ClATP"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(Cl)nc2N"	"RNGCVFCOKZEZFL-UUOKFMHZSA-N"	"InChI=1S/C10H15ClN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1"	""	""	""
"8447"	"2-Cl-ADP(&alpha;-BH<sub>3</sub>)"	""	"Synthetic organic"	""	""	""	""	"252166657"	"71733822"	""	""	""	""	""	""	""	"[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl]boron(1-)"	""	""	"O[C@@H]1[C@@H](CO[P@@](=O)(OP(=O)(O)O)[B-])O[C@H]([C@@H]1O)n1cnc2c1nc(Cl)nc2N"	"XLTJNJOUVKOQCW-MWZJDIDNSA-N"	"InChI=1S/C10H13BClN5O9P2/c11-27(20,26-28(21,22)23)24-1-3-5(18)6(19)9(25-3)17-2-14-4-7(13)15-10(12)16-8(4)17/h2-3,5-6,9,18-19H,1H2,(H2,13,15,16)(H2,21,22,23)/q-1/t3-,5-,6-,9-,27-/m1/s1"	""	""	""
"5109"	"2'-deoxyadenosine"	""	"Metabolite"	""	""	""	""	"178101802"	"13730"	""	""	"CHEMBL449329"	""	""	""	""	"(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol"	""	""	"OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N"	"OLXZPDWKRNYJJZ-RRKCRQDMSA-N"	"InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1"	""	""	""
"5110"	"2'-deoxyinosine"	""	"Metabolite"	""	""	""	""	"178101803"	"135398593"	""	""	"CHEMBL1229971"	""	""	""	""	"9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-3H-purin-6-one"	""	""	"OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1[nH]cnc2=O"	"VGONTNSXDCQUGY-RRKCRQDMSA-N"	"InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1"	""	""	""
"3200"	"(2E, 6E)-farnesylbisphosphonate"	""	"Synthetic organic"	""	""	""	""	"135649700"	"9871730"	""	""	"CHEMBL86513"	""	""	""	""	"[(3E,7E)-4,8,12-trimethyl-1-phosphonotrideca-3,7,11-trien-1-yl]phosphonic acid"	""	""	"C/C(=C\CC/C(=C/CC(P(=O)(O)O)P(=O)(O)O)/C)/CCC=C(C)C"	"QBAOBDKNTDWTHR-YFVJMOTDSA-N"	"InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,11,16H,5-6,8,10,12H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/b14-9+,15-11+"	""	""	""
"3204"	"2-fluoromevalonate 5-diphosphate"	""	"Synthetic organic"	""	""	""	""	"135649701"	"56947015"	""	""	""	""	""	""	""	"2-fluoro-3-hydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylpentanoic acid"	""	""	"OC(=O)C(C(CCOP(=O)(OP(=O)(O)O)O)(O)C)F"	"WPXHWHACORBSDS-UHFFFAOYSA-N"	"InChI=1S/C6H13FO10P2/c1-6(10,4(7)5(8)9)2-3-16-19(14,15)17-18(11,12)13/h4,10H,2-3H2,1H3,(H,8,9)(H,14,15)(H2,11,12,13)"	""	""	""
"10725"	"2F-MT-45"	""	"Synthetic organic"	""	""	""	""	"405067318"	"132990975"	""	""	""	""	""	""	""	"1-cyclohexyl-4-[1-(2-fluorophenyl)-2-phenylethyl]piperazine"	""	""	"Fc1ccccc1C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1"	"BZESPHAKQKJBSM-UHFFFAOYSA-N"	"InChI=1S/C24H31FN2/c25-23-14-8-7-13-22(23)24(19-20-9-3-1-4-10-20)27-17-15-26(16-18-27)21-11-5-2-6-12-21/h1,3-4,7-10,13-14,21,24H,2,5-6,11-12,15-19H2"	""	""	""
"4050"	"2-furoyl-LIGRL[N-(Alexa Fluor 594)-O]-NH<sub>2 </sub>"	""	"Peptide"	""	""	"yes"	""	"178100874"	"0"	""	""	""	""	""	""	""	""	""	"Alexa Fluor 594-2fLI"	""	""	""	""	""	""
"4049"	"2-furoyl-LIGRL[N[<sup>3</sup>H]propionyl]-O-NH<sub>2</sub>"	""	"Peptide"	""	""	"yes"	"yes"	"178100873"	"0"	""	""	""	""	""	""	""	""	""	"[<sup>3</sup>H]propionyl-2fLI"	""	""	""	""	""	""
"3851"	"2-furoyl-LIGRLO-amide"	""	"Peptide"	""	""	""	""	"178100691"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"373"	"2-hexynyl-NECA"	""	"Synthetic organic"	""	""	""	""	"135649703"	"164437"	""	""	"CHEMBL410873"	""	""	""	""	"(2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide"	""	"adenosine-5'-N-ethyluronamide|HE-NECA|HENECA|NECA"	"CCCCC#Cc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C(=O)NCC"	"FDEACFAXFCKCHZ-MOROJQBDSA-N"	"InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1"	""	""	""
"5847"	"2-hydroxy capric acid"	""	"Metabolite"	""	""	""	""	"178102471"	"21488"	""	""	""	""	""	""	""	"2-Hydroxydecanoic acid"	""	"2-hydroxy-decanoic acid|2-OH-C10"	"CCCCCCCCC(C(=O)O)O"	"GHPVDCPCKSNJDR-UHFFFAOYSA-N"	"InChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9,11H,2-8H2,1H3,(H,12,13)"	""	""	""
"5849"	"2-hydroxylauric acid"	""	"Metabolite"	""	""	""	""	"178102473"	"97783"	""	""	""	""	""	""	""	"2-Hydroxydodecanoic acid"	""	"2-hydroxy lauric acid|2-OH-C12"	"CCCCCCCCCCC(C(=O)O)O"	"YDZIJQXINJLRLL-UHFFFAOYSA-N"	"InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11,13H,2-10H2,1H3,(H,14,15)"	""	""	""
"5796"	"2-hydroxyoctanoic acid"	""	"Metabolite"	""	""	""	""	"178102421"	"94180"	""	""	""	""	""	""	""	"2-Hydroxyoctanoic acid"	""	""	"CCCCCCC(C(=O)O)O"	"JKRDADVRIYVCCY-UHFFFAOYSA-N"	"InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)"	""	""	""
"1068"	"2-hydroxy-saclofen"	""	"Synthetic organic"	""	""	""	""	"135649709"	"1564"	""	""	"CHEMBL1256573"	""	""	""	""	"3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid"	""	"2-hydroxy-s-(-)-saclofen|2-hydroxysaclofen|2-OH-saclofen"	"NCC(c1ccc(cc1)Cl)(CS(=O)(=O)O)O"	"WBSMZVIMANOCNX-UHFFFAOYSA-N"	"InChI=1S/C9H12ClNO4S/c10-8-3-1-7(2-4-8)9(12,5-11)6-16(13,14)15/h1-4,12H,5-6,11H2,(H,13,14,15)"	""	""	""
"7782"	"2-(indolin-1yl)-melatonin"	""	"Synthetic organic"	""	""	""	""	"223366115"	"25210130"	""	""	"CHEMBL514415"	""	""	""	""	"N-[2-[2-(2,3-dihydroindol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide"	""	""	"COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)CN1CCc2c1cccc2"	"WPMBIMXWTHXWHN-UHFFFAOYSA-N"	"InChI=1S/C22H25N3O2/c1-15(26)23-11-9-18-19-13-17(27-2)7-8-20(19)24-21(18)14-25-12-10-16-5-3-4-6-22(16)25/h3-8,13,24H,9-12,14H2,1-2H3,(H,23,26)"	""	""	""
"6271"	"2-iodoacetamide"	""	"Synthetic organic"	""	""	""	""	"178102891"	"3727"	""	""	"CHEMBL276727"	""	""	""	""	"2-Iodoacetamide"	""	"iodoacetamide"	"NC(=O)CI"	"PGLTVOMIXTUURA-UHFFFAOYSA-N"	"InChI=1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)"	""	""	""
"1343"	"2-iodo-melatonin"	""	"Synthetic organic"	""	""	""	""	"135651396"	"115348"	""	""	"CHEMBL289233"	""	""	""	""	"N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide"	""	"2-I-MLT|2-iodomelatonin"	"COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)I"	"FJDDSMSDZHURBJ-UHFFFAOYSA-N"	"InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)"	""	""	""
"5396"	"2-iodo-[<sup>125</sup>I]5MCA-NAT"	""	"Synthetic organic"	""	""	"yes"	"yes"	"178102053"	"91827345"	""	""	"CHEMBL504585"	""	""	""	""	""	""	"2-iodo-[<sup>125</sup>I]-5MCA-NAT"	"COC(=O)Nc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)[125I]"	"BMRSKORHUNWKLU-VLPIPSKASA-N"	"InChI=1S/C14H16IN3O3/c1-8(19)16-6-5-10-11-7-9(17-14(20)21-2)3-4-12(11)18-13(10)15/h3-4,7,18H,5-6H2,1-2H3,(H,16,19)(H,17,20)/i15-2"	""	""	""
"1829"	"2-<i>O</i>-ethyl-PAF C-16"	""	"Metabolite"	""	""	""	""	"135651397"	"9546625"	""	""	""	""	""	""	""	"2-[(2-ethoxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium"	""	"2-<i>O</i>-ethyl-platelet-activating factor C-16"	"CCCCCCCCCCCCCCCCOCC(COP(=O)(OCC[N+](C)(C)C)O)OCC"	"LPHUUVMLQFHHQG-UHFFFAOYSA-O"	"InChI=1S/C26H56NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30-24-26(31-7-2)25-33-34(28,29)32-23-21-27(3,4)5/h26H,6-25H2,1-5H3/p+1"	""	""	""
"1830"	"2-<i>O</i>-methyl-PAF C-18"	""	"Metabolite"	""	""	""	""	"135651398"	"132181"	""	""	""	""	""	""	""	"[2-acetyloxy-3-(2-methyloctadecoxy)propyl] 2-trimethylazaniumylethyl phosphate"	""	"2-<i>O</i>-methyl-platelet-activating factor C-18|2-methyl-C18-PAF|2-methyloctadecyl PAF"	"CCCCCCCCCCCCCCCCC(COCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-])C"	"CIVAIADZNGBFHP-UHFFFAOYSA-N"	"InChI=1S/C29H60NO7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(2)24-34-25-29(37-28(3)31)26-36-38(32,33)35-23-22-30(4,5)6/h27,29H,7-26H2,1-6H3"	""	""	""
"1392"	"(2<i>R</i>,3<i>R</i>)-APDC"	""	"Synthetic organic"	""	""	""	""	"135649704"	"5310984"	""	""	"CHEMBL40086"	""	""	""	""	"(2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid"	""	"(2R,4R)-APDC|LY314593"	"OC(=O)[C@@H]1NC[C@@](C1)(N)C(=O)O"	"XZFMJVJDSYRWDQ-AWFVSMACSA-N"	"InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,6-/m1/s1"	""	""	""
"5107"	"2(<i>S</i>)-amino-6-boronohexanoic acid"	""	"Synthetic organic"	""	""	""	""	"178101800"	"9793992"	""	""	"CHEMBL1812661"	""	""	""	""	"(2S)-2-amino-6-(dihydroxyboranyl)hexanoic acid"	""	"ABH"	"OB(CCCC[C@@H](C(=O)O)N)O"	"HFKKMXCOJQIYAH-YFKPBYRVSA-N"	"InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1"	""	""	""
"2776"	"2MD"	""	"Synthetic organic"	""	""	""	""	"135651400"	"5289549"	""	""	"CHEMBL605525"	""	""	""	""	"(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol"	""	"2-methylene-19-nor-(20S)-1 alpha,25-dihydroxy-vitamin D3|VDZ"	"C[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C1C[C@@H](O)C(=C)[C@@H](C1)O)CCCC(O)(C)C"	"UHMPCVGLSKFXHR-NAQZCRMNSA-N"	"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+/t18-,22+,23-,24+,25+,27+/m0/s1"	""	""	""
"5591"	"2'-Me-CCPA"	""	"Synthetic organic"	""	""	""	""	"178102226"	"10475082"	""	""	"CHEMBL251997"	""	""	""	""	"(2R,3R,4R,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol"	""	"2'methyl-2-chloro-N<sup>6</sup>-cyclopentyladenosine"	"OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)n1cnc2c1nc(Cl)nc2NC1CCCC1"	"MMPAUXMIDJWGFO-ROMFRFKVSA-N"	"InChI=1S/C16H22ClN5O4/c1-16(25)11(24)9(6-23)26-14(16)22-7-18-10-12(19-8-4-2-3-5-8)20-15(17)21-13(10)22/h7-9,11,14,23-25H,2-6H2,1H3,(H,19,20,21)/t9-,11-,14-,16-/m1/s1"	""	""	""
"1710"	"2MeSADP"	""	"Synthetic organic"	""	""	""	""	"135651401"	"121990"	""	""	"CHEMBL435402"	""	""	""	""	"[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate"	""	"2-MeSADP|2-methylthio-adenosine-5'-diphosphate|2-methylthio-ADP"	"CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O"	"WLMZTKAZJUWXCB-KQYNXXCUSA-N"	"InChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1"	""	""	""
"1764"	"2MeSAMP"	""	"Synthetic organic"	""	""	""	""	"135651402"	"189762"	""	""	"CHEMBL606240"	""	""	""	""	"[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate"	""	"2-methylthio-AMP|poly(2'-methylthioadenylic acid)"	"CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O"	"XVTFTCNRRAQHEQ-KQYNXXCUSA-N"	"InChI=1S/C11H16N5O7PS/c1-25-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1"	""	""	""
"1711"	"2MeSATP"	""	"Synthetic organic"	""	""	""	""	"135651403"	"5310983"	""	""	"CHEMBL336208"	""	""	""	""	"[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate"	""	"2-MeSATP|2-methylthio-adenosine-5'-triphosphate|2-methylthio-ATP"	"CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O"	"XNOBOKJVOTYSJV-KQYNXXCUSA-N"	"InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1"	""	""	""
"7775"	"2-methoxy-&alpha;,&beta;-didehydro-agomelatine"	""	"Synthetic organic"	""	""	""	""	"223366108"	"71533431"	""	""	"CHEMBL2314259"	""	""	""	""	"N-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide"	""	""	"COc1ccc2c(c1/C=C/NC(=O)C)cc(cc2)OC"	"HMYFXYOFPXZULT-CMDGGOBGSA-N"	"InChI=1S/C16H17NO3/c1-11(18)17-9-8-14-15-10-13(19-2)6-4-12(15)5-7-16(14)20-3/h4-10H,1-3H3,(H,17,18)/b9-8+"	""	""	""
"12058"	"2-Methoxyestradiol"	""	"Metabolite"	""	""	""	""	"472319180"	"66414"	""	""	"CHEMBL299613"	""	""	""	""	"(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol"	""	"2-ME2|2-MeO-E2|2ME2|NSC-659853|Panzem&reg;"	"C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCc1cc(c(cc31)OC)O"	"CQOQDQWUFQDJMK-SSTWWWIQSA-N"	"InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1"	""	""	""
"6611"	"2-methyl-3-oxopropanoate"	""	"Metabolite"	""	""	""	""	"178103224"	"21917715"	""	""	""	""	""	""	""	"2-methyl-3-oxopropanoate"	""	""	"O=CC(C(=O)[O-])C"	"VOKUMXABRRXHAR-UHFFFAOYSA-M"	"InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/p-1"	""	""	""
"713"	"2-methyl-3-phenethyl-3H-pyrimidin-4-one"	""	"Synthetic organic"	""	""	""	""	"135649705"	"135515453"	""	""	""	""	""	""	""	"(2E)-5-ethyl-3-[2-(2-fluorophenyl)ethyl]-6-methyl-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-4-one"	""	"compound 2H [PMID: 15863312]"	"CCc1c(C)[nH]/c(=C\2/C=CC=CC2=O)/n(c1=O)CCc1ccccc1F"	"FYHAHJQDCZYGNJ-LVZFUZTISA-N"	"InChI=1S/C21H21FN2O2/c1-3-16-14(2)23-20(17-9-5-7-11-19(17)25)24(21(16)26)13-12-15-8-4-6-10-18(15)22/h4-11,23H,3,12-13H2,1-2H3/b20-17+"	""	""	""
"218"	"2-methyl-5-HT"	""	"Synthetic organic"	""	""	""	""	"135649706"	"1574"	""	""	"CHEMBL266591"	""	""	""	""	"3-(2-Aminoethyl)-2-methyl-1H-indol-5-ol"	""	"2-Me-5-HT|2-methyl-5-hydroxytryptamine|2-methylserotonin"	"Cc1c(CCN)c2c([nH]1)ccc(c2)O"	"WYWNEDARFVJQSG-UHFFFAOYSA-N"	"InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3"	""	""	""
"1268"	"2-methylhistamine"	""	"Synthetic organic"	""	""	""	""	"135649707"	"92613"	""	""	""	""	""	""	""	"5-(2-hydroxyethyl)-1,3-bis(hydroxymethyl)-1,3,5-triazinane-2-thione"	""	""	"OCCN1CN(CO)C(=S)N(C1)CO"	"ZGUKXHGPXOTTSU-UHFFFAOYSA-N"	"InChI=1S/C7H15N3O3S/c11-2-1-8-3-9(5-12)7(14)10(4-8)6-13/h11-13H,1-6H2"	""	""	""
"8800"	"2-monoacylglycerol"	""	"Metabolite"	""	""	""	""	"252827458"	"17756737"	""	""	""	""	""	""	""	"1,3-dihydroxypropan-2-yl formate"	""	"1-alkyl-2-acylglycerol|2-acylglycerol|2-monoglyceride|monoglyceride"	"OCC(OC=O)CO"	"LDVVTQMJQSCDMK-UHFFFAOYSA-N"	"InChI=1S/C4H8O4/c5-1-4(2-6)8-3-7/h3-6H,1-2H2"	""	""	""
"280"	"2-MPP"	""	"Synthetic organic"	""	""	""	""	"135649708"	"1346"	""	""	"CHEMBL9666"	""	""	""	""	"1-(2-Methoxyphenyl)piperazine"	""	""	"COc1ccccc1N1CCNCC1"	"VNZLQLYBRIOLFZ-UHFFFAOYSA-N"	"InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3"	""	""	""
"5112"	"2-oleoyl glycerol"	""	"Metabolite"	""	""	""	""	"178101805"	"5319879"	""	""	"CHEMBL3182200"	""	""	""	""	"1,3-dihydroxypropan-2-yl (9Z)-octadec-9-enoate"	""	"2-monoolein|2-oleoyl-glycerol|2-oleoylglycerol (2OG)"	"CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO"	"UPWGQKDVAURUGE-KTKRTIGZSA-N"	"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-"	""	""	""
"2936"	"2-oleoyl-LPA"	""	"Metabolite"	""	""	""	""	"135649710"	"56947016"	""	""	""	""	""	""	""	"{3-hydroxy-2-[(9Z)-octadec-9-enoyloxy]propoxy}phosphonic acid"	""	"2-acyl-1LPA|2Acyl-LPA"	"CCCCCCCC/C=C\CCCCCCCC(=O)OC(COP(=O)(O)O)CO"	"ZOOLJLSXNRZLDH-KTKRTIGZSA-N"	"InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)28-20(18-22)19-27-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-"	""	""	""
"4521"	"2-oxothiazolidine-4-carboxylate"	""	"Synthetic organic"	""	""	""	""	"178101246"	"22476743"	""	""	""	""	""	""	""	"2-oxo-1,3-thiazolidine-4-carboxylate"	""	""	"O=C1SCC(N1)C(=O)[O-]"	"BMLMGCPTLHPWPY-UHFFFAOYSA-M"	"InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/p-1"	""	""	""
"2417"	"2-pentenal"	""	"Synthetic organic"	""	""	""	""	"135649711"	"5364752"	""	""	"CHEMBL256368"	""	""	""	""	"(E)-pent-2-enal"	""	""	"CC/C=C/C=O"	"DTCCTIQRPGSLPT-ONEGZZNKSA-N"	"InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+"	""	""	""
"5600"	"2-phenylethylyl-adenosine derivative"	""	"Synthetic organic"	""	""	""	""	"178102235"	"44598833"	""	""	"CHEMBL574602"	""	""	""	""	"(2S,3S,4R,5R)-3,4-dihydroxy-N-methyl-5-[6-(methylamino)-2-(2-phenylethynyl)purin-9-yl]oxolane-2-carboxamide"	""	""	"CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(C#Cc1ccccc1)nc2NC"	"PAFSPMXSTBOTSN-KSVNGYGVSA-N"	"InChI=1S/C20H20N6O4/c1-21-17-13-18(25-12(24-17)9-8-11-6-4-3-5-7-11)26(10-23-13)20-15(28)14(27)16(30-20)19(29)22-2/h3-7,10,14-16,20,27-28H,1-2H3,(H,22,29)(H,21,24,25)/t14-,15+,16-,20+/m0/s1"	""	""	""
"5510"	"2-phenyl-propylamine"	""	"Metabolite"	""	""	""	""	"178102156"	"11398"	""	""	"CHEMBL158578"	""	""	""	""	"2-phenylpropan-1-amine"	""	"&beta;-Me-PEA|&beta;-Methylphenethylamine|1-amino-2-phenylpropane|BMPEA"	"NCC(c1ccccc1)C"	"AXORVIZLPOGIRG-UHFFFAOYSA-N"	"InChI=1S/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3"	""	""	""
"7530"	"2-PMAP"	""	"Synthetic organic"	""	""	""	""	"187051831"	"14936865"	""	""	""	""	""	""	""	"2-(pyridin-2-ylmethylamino)phenol"	""	"AGN-PC-0031SD|ARN-2966"	"Oc1ccccc1NCc1ccccn1"	"GXJRVWZNMZGWAQ-UHFFFAOYSA-N"	"InChI=1S/C12H12N2O/c15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10/h1-8,14-15H,9H2"	""	""	""
"1197"	"2-pyridylethylamine"	""	"Synthetic organic"	""	""	""	""	"135649712"	"75919"	""	""	"CHEMBL32813"	""	""	""	""	"2-pyridin-2-ylethanamine"	""	"PEA"	"NCCc1ccccn1"	"XPQIPUZPSLAZDV-UHFFFAOYSA-N"	"InChI=1S/C7H10N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5,8H2"	"yes"	""	""
"9154"	"(2R,6R) 6-hydroxynorketamine"	""	"Synthetic organic"	""	""	""	""	"315661239"	"89504167"	""	""	""	""	""	""	""	"(2R,6R)-2-amino-2-(2-chlorophenyl)-6-hydroxycyclohexan-1-one"	""	"(2R,6R)HNK"	"O[C@@H]1CCC[C@@](C1=O)(N)c1ccccc1Cl"	"CFBVGSWSOJBYGC-ZYHUDNBSSA-N"	"InChI=1S/C12H14ClNO2/c13-9-5-2-1-4-8(9)12(14)7-3-6-10(15)11(12)16/h1-2,4-5,10,15H,3,6-7,14H2/t10-,12-/m1/s1"	""	""	""
"11522"	"(2S)-2-[(6Z,15Z)-20-hydroxyicosa-6,15-dienamido]butanedioate"	""	"Synthetic organic"	""	""	""	""	"441604894"	"165368925"	""	""	""	""	""	""	""	"(2S)-2-[(6Z,15Z)-20-hydroxyicosa-6,15-dienamido]butanedioate"	""	"20-HETE receptor antagonist (AAA)"	"OCCCC/C=C\CCCCCCC/C=C\CCCCC(=O)N[C@H](C(=O)[O-])CC(=O)[O-]"	"YOJFRYNVBRTSNN-WYCJAXOMSA-L"	"InChI=1S/C24H41NO6/c26-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-22(27)25-21(24(30)31)20-23(28)29/h8-11,21,26H,1-7,12-20H2,(H,25,27)(H,28,29)(H,30,31)/p-2/b10-8-,11-9-/t21-/m0/s1"	""	""	""
"8871"	"(2S,4S)-ketoconazole"	""	"Synthetic organic"	""	""	""	""	"252827528"	"638701"	""	""	"CHEMBL319160"	""	""	""	""	"1-[4-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone"	""	""	"Clc1ccc(c(c1)Cl)[C@@]1(OC[C@@H](O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1"	"XMAYWYJOQHXEEK-JYFHCDHNSA-N"	"InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26+/m0/s1"	""	""	""
"1344"	"2-[<sup>125</sup>I]melatonin"	""	"Synthetic organic"	""	""	"yes"	"yes"	"135651404"	"644212"	""	""	"CHEMBL1788358"	""	""	""	""	"N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide"	""	"2-(<sup>125</sup>I)Iodomelatonin|2-[<sup>125</sup>I]MLT|2-iodo-[<sup>125</sup>I]-melatonin|2[<sup>125</sup>I]iodomelatonin"	"COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)[125I]"	"FJDDSMSDZHURBJ-XSBOKVBDSA-N"	"InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)/i14-2"	""	""	""
"11394"	"2-TEDC"	""	"Synthetic organic"	""	""	""	""	"440816763"	"6069552"	""	""	"CHEMBL37081"	""	""	""	""	"2-thiophen-2-ylethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate"	""	"compound 24 [PMID: 2016727]"	"N#C/C(=C\c1ccc(c(c1)O)O)/C(=O)OCCc1cccs1"	"KCGLTUBCAGZLHP-XYOKQWHBSA-N"	"InChI=1S/C16H13NO4S/c17-10-12(8-11-3-4-14(18)15(19)9-11)16(20)21-6-5-13-2-1-7-22-13/h1-4,7-9,18-19H,5-6H2/b12-8+"	""	""	""
"6202"	"2-thio-UDP"	""	"Synthetic organic"	""	""	""	""	"178102823"	"16082712"	""	""	""	""	""	""	""	"[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate"	""	""	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=S"	"BMJOHSBBMARQHC-XVFCMESISA-N"	"InChI=1S/C9H14N2O11P2S/c12-5-1-2-11(9(25)10-5)8-7(14)6(13)4(21-8)3-20-24(18,19)22-23(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,10,12,25)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1"	""	""	""
"3398"	"2-thioUTP"	""	"Synthetic organic"	""	""	""	""	"178100411"	"10174453"	""	""	"CHEMBL217803"	""	""	""	""	"[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate"	""	"2-thio-UTP"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=S"	"KHYOUGAATNYCAZ-XVFCMESISA-N"	"InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(29)10-5)8-7(14)6(13)4(23-8)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,20,21)(H,10,12,29)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1"	""	""	""
"1424"	"3,3'-difluorobenzaldazine"	""	"Synthetic organic"	""	""	""	""	"135650175"	"6604893"	""	""	"CHEMBL371811"	""	""	""	""	"1-(3-fluorophenyl)-N-[(3-fluorophenyl)methylideneamino]methanimine"	""	"DFB"	"Fc1cccc(c1)/C=N/N=C/c1cccc(c1)F"	"YYMCVDNIIFNDJK-BEQMOXJMSA-N"	"InChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+"	""	""	""
"4597"	"3,4-dichlorobenzamil"	""	"Synthetic organic"	""	""	""	""	"178101317"	"114771"	""	""	"CHEMBL587714"	""	""	""	""	"3,5-diamino-6-chloro-N-[(E)-N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]pyrazine-2-carboxamide"	""	"3',4'-dichlorobenzamil|GNF-Pf-1778"	"N/C(=N\Cc1ccc(c(c1)Cl)Cl)/NC(=O)c1nc(Cl)c(nc1N)N"	"OSHKWEFWXCCNJR-UHFFFAOYSA-N"	"InChI=1S/C13H12Cl3N7O/c14-6-2-1-5(3-7(6)15)4-20-13(19)23-12(24)8-10(17)22-11(18)9(16)21-8/h1-3H,4H2,(H4,17,18,22)(H3,19,20,23,24)"	""	""	""
"6633"	"3,4-dihydroxymandelic acid"	""	"Metabolite"	""	""	""	""	"178103246"	"85782"	""	""	""	""	""	""	""	"2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid"	""	"DHMA|DOMA"	"OC(=O)C(c1ccc(c(c1)O)O)O"	"RGHMISIYKIHAJW-UHFFFAOYSA-N"	"InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)"	""	""	""
"6632"	"3,4-dihydroxyphenylacetaldehyde"	""	"Metabolite"	""	""	""	""	"178103245"	"119219"	""	""	""	""	""	""	""	"2-(3,4-dihydroxyphenyl)acetaldehyde"	""	"DOPAL"	"O=CCc1ccc(c(c1)O)O"	"IADQVXRMSNIUEL-UHFFFAOYSA-N"	"InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2"	""	""	""
"5828"	"3570-0208 [PMID:19807662]"	""	"Synthetic organic"	""	""	""	""	"178102453"	"3092570"	""	""	"CHEMBL1329101"	""	""	""	""	"[6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate"	""	""	"CCc1cc2c(cc1OC(=O)C)oc(c(c2=O)c1nc2c(n1C)cccc2)C"	"HTTVYKXJCQENKW-UHFFFAOYSA-N"	"InChI=1S/C22H20N2O4/c1-5-14-10-15-19(11-18(14)28-13(3)25)27-12(2)20(21(15)26)22-23-16-8-6-7-9-17(16)24(22)4/h6-11H,5H2,1-4H3"	""	""	""
"1367"	"3,5-DHPG"	""	"Synthetic organic"	""	""	""	""	"135649729"	"108001"	""	""	"CHEMBL66105"	""	""	""	""	"2-amino-2-(3,5-dihydroxyphenyl)acetic acid"	""	"3,5-dihydroxyphenylglycine"	"OC(=O)C(c1cc(O)cc(c1)O)N"	"HOOWCUZPEFNHDT-UHFFFAOYSA-N"	"InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)"	""	""	""
"5783"	"3,5-dihydroxybenzoic acid"	""	"Synthetic organic"	""	""	""	""	"178102408"	"7424"	""	""	"CHEMBL95308"	""	""	""	""	"3,5-Dihydroxybenzoic acid"	""	"&alpha;-resorcylic acid|5-carboxyresorcinol|NSC 22948"	"Oc1cc(O)cc(c1)C(=O)O"	"UYEMGAFJOZZIFP-UHFFFAOYSA-N"	"InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)"	""	""	""
"6651"	"3,5-diiodo-L-tyrosine"	""	"Synthetic organic"	""	""	""	""	"178103264"	"9305"	""	""	"CHEMBL1236469"	""	""	""	""	"(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid"	""	"3,5-diiodotyrosine|diotyrosine"	"OC(=O)[C@H](Cc1cc(I)c(c(c1)I)O)N"	"NYPYHUZRZVSYKL-ZETCQYMHSA-N"	"InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1"	""	""	""
"3397"	"3,5-dimethyl PPP"	""	"Synthetic organic"	""	""	""	""	"178100410"	"11722867"	""	""	"CHEMBL304824"	""	""	""	""	"4-(3,3-dimethylbutan-2-yl) 2-propyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate"	""	"3,5-DMPPP"	"CCCOC(=O)c1[nH]c(c(c1C)C(=O)OC(C(C)(C)C)C)C"	"DOYZAIRDDZPMQZ-UHFFFAOYSA-N"	"InChI=1S/C17H27NO4/c1-8-9-21-16(20)14-10(2)13(11(3)18-14)15(19)22-12(4)17(5,6)7/h12,18H,8-9H2,1-7H3"	""	""	""
"11370"	"(3,5)-[<sup>19</sup>F]<sub>2</sub>-Phe-&psi;-Ala"	""	"Peptide"	""	""	"yes"	"yes"	"440816739"	"155817512"	""	""	""	""	""	""	""	""	""	"(3,5)-difluoro Phe-&psi;-Ala"	"N[C@H](C(=S)NCC(=O)O)Cc1cc([19F])cc(c1)[19F]"	"TWLHVEKSWVLMAU-DENHMSFDSA-N"	"InChI=1S/C11H12F2N2O2S/c12-7-1-6(2-8(13)4-7)3-9(14)11(18)15-5-10(16)17/h1-2,4,9H,3,5,14H2,(H,15,18)(H,16,17)/t9-/m0/s1/i12-1,13+0"	""	""	""
"13325"	"3-AESA"	""	"Synthetic organic"	""	""	""	""	"496703295"	"53402072"	""	""	"CHEMBL4129393"	""	""	""	""	""	""	"3-(2-aminoethyl)-2-hydroxybenzoic acid"	"NCCC1=CC=CC(C(=O)O)=C1O"	"SXPNDOQLDVUOJO-UHFFFAOYSA-N"	"InChI=1S/C9H11NO3/c10-5-4-6-2-1-3-7(8(6)11)9(12)13/h1-3,11H,4-5,10H2,(H,12,13)"	""	""	""
"9564"	"3 alpha-aminocholestane"	""	"Synthetic organic"	""	""	""	""	"336446950"	"10872780"	""	""	""	""	""	""	""	"(3R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine"	""	"3 &alpha;-aminocholestane|3AC"	"CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2[C@]1(C)CC[C@H](C2)N)C)C"	"RJNGJYWAIUJHOJ-DSHIFKSRSA-N"	"InChI=1S/C27H49N/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25H,6-17,28H2,1-5H3/t19-,20?,21-,22+,23-,24+,25+,26+,27-/m1/s1"	"yes"	""	""
"1080"	"3-APMPA"	""	"Synthetic organic"	""	""	""	""	"135649731"	"5230"	""	""	"CHEMBL112710"	""	""	""	""	"3-aminopropyl-methylphosphinic acid"	""	"CGP 35024|CGP35024|SK&F 97541|SKF 97541|SKF-97,541"	"NCCCP(=O)(O)C"	"NHVRIDDXGZPJTJ-UHFFFAOYSA-N"	"InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)"	""	""	""
"1081"	"3-APPA"	""	"Synthetic organic"	""	""	""	""	"135649732"	"6335948"	""	""	""	""	""	""	""	"3-aminopropyl-hydroxy-oxophosphanium"	""	"3-aminopropanephosphinic acid|APPA|CGP-27492"	"NCCC[P+](=O)O"	"MQIWYGZSHIXQIU-UHFFFAOYSA-O"	"InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1"	""	""	""
"3199"	"3-azageranylgeranyl diphosphate"	""	"Synthetic organic"	""	""	""	""	"135649733"	"447278"	""	""	"CHEMBL71360"	""	""	""	""	"{[hydroxy(2-{methyl[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]amino}ethoxy)phosphoryl]oxy}phosphonic acid"	""	""	"CN(CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)CCOP(=O)(OP(=O)(O)O)O"	"OEMBPHBKZPOPBN-NWLVNBMCSA-N"	"InChI=1S/C19H37NO7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+"	""	""	""
"9028"	"3beta-Hydroxy-20(29)-lupene"	""	"Synthetic organic"	""	""	""	""	"315661113"	"16219576"	""	""	""	""	""	""	""	"(5aR,7aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol"	""	"Fagarasterol|Lupeol"	"CC(=C)C1CCC2([C@H]1C1CCC3C([C@]1(C)CC2)(C)CC[C@@H]1C3(C)CCC(C1(C)C)O)C"	"MQYXUWHLBZFQQO-HQBMYVNCSA-N"	"InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20?,21?,22-,23?,24?,25+,27?,28?,29+,30?/m0/s1"	"yes"	""	""
"12472"	"3&beta;-hydroxydihydrocostunolide"	""	"Natural product"	""	""	""	""	"479821262"	"90471461"	""	""	""	""	""	""	""	"(3R,3aS,6Z,9S,10Z,11aS)-9-hydroxy-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one"	""	""	"C[C@@H]1[C@@H]2CC/C(=C\C[C@@H](/C(=C\[C@H]2OC1=O)/C)O)/C"	"RLHPCSSGTQNSJN-DCOVWINISA-N"	"InChI=1S/C15H22O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,8,11-14,16H,4,6-7H2,1-3H3/b9-5-,10-8-/t11-,12+,13+,14-/m1/s1"	""	""	""
"10537"	"3&beta;-OH"	""	"Synthetic organic"	""	""	""	""	"387065619"	"129257213"	""	""	""	""	""	""	""	"(3S,5R,10S,13S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile"	""	"(3β,5β,17β)-3-hydroxyandrostane-17-carbonitrile|B260"	"N#C[C@H]1CCC2[C@]1(C)CCC1C2CC[C@H]2[C@]1(C)CC[C@@H](C2)O"	"DVTDUTYENPZLFP-FXEFULGUSA-N"	"InChI=1S/C20H31NO/c1-19-9-7-15(22)11-13(19)3-5-16-17-6-4-14(12-21)20(17,2)10-8-18(16)19/h13-18,22H,3-11H2,1-2H3/t13-,14-,15+,16?,17?,18?,19+,20-/m1/s1"	""	""	""
"2569"	"3-bicyclo[2.2.1]hept-2-yl-benzene-1,2-diol"	""	"Synthetic organic"	""	""	""	""	"53801045"	"3764681"	""	""	""	""	""	""	""	"3-(6-bicyclo[2.2.1]heptanyl)benzene-1,2-diol"	""	""	"Oc1cccc(c1O)C1CC2CC1CC2"	"DWWJNUSFHLSDSW-UHFFFAOYSA-N"	"InChI=1S/C13H16O2/c14-12-3-1-2-10(13(12)15)11-7-8-4-5-9(11)6-8/h1-3,8-9,11,14-15H,4-7H2"	""	""	""
"5113"	"3-bromo-7NI"	""	"Synthetic organic"	""	""	""	""	"178101806"	"1649"	""	""	"CHEMBL479014"	""	""	""	""	"3-bromo-7-nitro-2H-indazole"	""	"3-Br-7NI|3-bromo-7-nitroindazole"	"[O-][N+](=O)c1cccc2c1n[nH]c2Br"	"NFSTZPMYAZRZPC-UHFFFAOYSA-N"	"InChI=1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)"	""	""	""
"4517"	"3-bromopyruvate"	""	"Synthetic organic"	""	""	""	""	"178101242"	"6994776"	""	""	""	""	""	""	""	"3-bromo-2-oxopropanoate"	""	"bromopyruvic acid"	"[O-]C(=O)C(=O)CBr"	"PRRZDZJYSJLDBS-UHFFFAOYSA-M"	"InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)/p-1"	""	""	""
"5114"	"3-chlorotyrosine"	""	"Synthetic organic"	""	""	""	""	"178101807"	"119226"	""	""	""	""	""	""	""	"2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid"	""	""	"OC(=O)C(Cc1ccc(c(c1)Cl)O)N"	"ACWBBAGYTKWBCD-UHFFFAOYSA-N"	"InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)"	""	""	""
"12831"	"3CL protease (Mpro) inhibitor M3"	""	"Synthetic organic"	""	""	""	""	"483123379"	"74600074"	""	""	""	""	""	""	""	""	""	""	"N=C(NN=CC1=CC=NC=C1)C2=NON=C2NCNC3=NON=C3C(=N)NN=CC4=CC=NC=C4"	"RKERUHFQUMGLTH-UHFFFAOYSA-N"	"InChI=1S/C19H18N14O2/c20-16(28-26-9-12-1-5-22-6-2-12)14-18(32-34-30-14)24-11-25-19-15(31-35-33-19)17(21)29-27-10-13-3-7-23-8-4-13/h1-10H,11H2,(H2,20,28)(H2,21,29)(H,24,32)(H,25,33)"	""	""	""
"5115"	"3-deazaadenosine"	""	"Synthetic organic"	""	""	""	""	"178101808"	"23190"	""	""	"CHEMBL202701"	""	""	""	""	"(2R,3R,4S,5R)-2-{4-amino-1H-imidazo[4,5-c]pyridin-1-yl}-5-(hydroxymethyl)oxolane-3,4-diol"	""	"3-deaza-adenosine"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ccnc2N"	"DBZQFUNLCALWDY-PNHWDRBUSA-N"	"InChI=1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1"	""	""	""
"10726"	"3F-MT-45"	""	"Synthetic organic"	""	""	""	""	"405067319"	"132990929"	""	""	""	""	""	""	""	"1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine"	""	""	"Fc1cccc(c1)C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1"	"CGVHPULMBGGZPI-UHFFFAOYSA-N"	"InChI=1S/C24H31FN2/c25-22-11-7-10-21(19-22)24(18-20-8-3-1-4-9-20)27-16-14-26(15-17-27)23-12-5-2-6-13-23/h1,3-4,7-11,19,23-24H,2,5-6,12-18H2"	""	""	""
"3202"	"3-hydroxy-3-methyl-6-phosphohexanoic acid"	""	"Synthetic organic"	""	""	""	""	"135649736"	"23452327"	""	""	""	""	""	""	""	"3-hydroxy-3-methyl-6-phosphonohexanoic acid"	""	""	"OC(=O)CC(CCCP(=O)(O)O)(O)C"	"XRCIRZGXKWCWNQ-UHFFFAOYSA-N"	"InChI=1S/C7H15O6P/c1-7(10,5-6(8)9)3-2-4-14(11,12)13/h10H,2-5H2,1H3,(H,8,9)(H2,11,12,13)"	""	""	""
"5116"	"3-hydroxybenzylhydrazine"	""	"Synthetic organic"	""	""	""	""	"178101809"	"1663"	""	""	"CHEMBL352205"	""	""	""	""	"3-(hydrazinylmethyl)phenol"	""	""	"NNCc1cccc(c1)O"	"OFKWWALNMPEOSZ-UHFFFAOYSA-N"	"InChI=1S/C7H10N2O/c8-9-5-6-2-1-3-7(10)4-6/h1-4,9-10H,5,8H2"	""	""	""
"5848"	"3-hydroxy capric acid"	""	"Metabolite"	""	""	""	""	"178102472"	"26612"	""	""	""	""	""	""	""	"3-Hydroxydecanoic acid"	""	"3-hydroxy-decanoic acid|3-OH-C10"	"CCCCCCCC(CC(=O)O)O"	"FYSSBMZUBSBFJL-UHFFFAOYSA-N"	"InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)"	""	""	""
"13814"	"3-hydroxycezomycin"	""	"Natural product"	""	""	""	""	"507750447"	"128567"	""	""	""	""	""	""	""	"5-hydroxy-2-[[(2S,3R,5R,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid"	""	"AC7230"	"C[C@@H]1CCC2([C@@H](C[C@H]([C@H](O2)[C@H](C)C(=O)C3=CC=CN3)C)C)O[C@@H]1CC4=NC5=C(O4)C=CC(=C5C(=O)O)O"	"WULUUVLPLGXOFP-GHLNLJSUSA-N"	"InChI=1S/C28H34N2O7/c1-14-9-10-28(16(3)12-15(2)26(37-28)17(4)25(32)18-6-5-11-29-18)36-21(14)13-22-30-24-20(35-22)8-7-19(31)23(24)27(33)34/h5-8,11,14-17,21,26,29,31H,9-10,12-13H2,1-4H3,(H,33,34)/t14-,15-,16-,17-,21-,26+,28?/m1/s1"	""	""	"yes"
"5850"	"3-hydroxylauric acid"	""	"Metabolite"	""	""	""	""	"178102474"	"94216"	""	""	""	""	""	""	""	"3-Hydroxydodecanoic acid"	""	"3-hydroxy lauric acid"	"CCCCCCCCCC(CC(=O)O)O"	"MUCMKTPAZLSKTL-UHFFFAOYSA-N"	"InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)"	""	""	""
"2933"	"3-hydroxyoctanoic acid"	""	"Metabolite"	""	""	""	""	"135651406"	"11367166"	""	""	""	""	""	""	""	"(3S)-3-hydroxyoctanoic acid"	""	"3-hydroxyoctanoate|3-OH-octanoic acid"	"CCCCC[C@@H](CC(=O)O)O"	"NDPLAKGOSZHTPH-ZETCQYMHSA-N"	"InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m0/s1"	""	""	""
"2145"	"3-iodothyronamine"	""	"Metabolite"	""	""	""	""	"135649737"	"11501277"	""	""	"CHEMBL201002"	""	""	""	""	"4-[4-(2-aminoethyl)phenoxy]-2-iodophenol"	""	"T<sub>1</sub>AM"	"NCCc1ccc(cc1)Oc1ccc(c(c1)I)O"	"HCYGDNGLWSZCCA-UHFFFAOYSA-N"	"InChI=1S/C14H14INO2/c15-13-9-12(5-6-14(13)17)18-11-3-1-10(2-4-11)7-8-16/h1-6,9,17H,7-8,16H2"	""	""	""
"5117"	"3-iodotyrosine"	""	"Synthetic organic"	""	""	""	""	"178101810"	"6272"	""	""	""	""	""	""	""	"2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid"	""	""	"OC(=O)C(Cc1ccc(c(c1)I)O)N"	"UQTZMGFTRHFAAM-UHFFFAOYSA-N"	"InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)"	""	""	""
"9436"	"[3-iodo-Tyr<sup>6</sup>]U-II-(4-11) (human)"	""	"Peptide"	""	""	""	""	"329968376"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2589"	"(3<i>R</i>,4<i>S</i>)-293B"	""	"Synthetic organic"	""	""	""	""	"53801037"	"121846"	""	""	"CHEMBL434045"	""	""	""	""	""	""	"chromanol 239B|LS-185874"	"CCS(=O)(=O)N([C@@H]1[C@@H](O)C(C)(C)Oc2c1cc(cc2)C#N)C"	"HVSJHHXUORMCGK-UONOGXRCSA-N"	"InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m0/s1"	""	""	""
"8610"	"3<i>S</i>,4<i>R</i>-293B"	""	"Synthetic organic"	""	""	""	""	"252166811"	"6604863"	""	""	"CHEMBL44297"	""	""	""	""	"N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide"	""	"chromanol 239B"	"CCS(=O)(=O)N([C@H]1[C@H](O)C(C)(C)Oc2c1cc(cc2)C#N)C"	"HVSJHHXUORMCGK-KGLIPLIRSA-N"	"InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1"	""	""	""
"447"	"3-isobutyl-8-pyrrolidinoxanthine"	""	"Synthetic organic"	""	""	""	""	"135650407"	"10221256"	""	""	""	""	""	""	""	"3-(2-methylpropyl)-8-pyrrolidin-1-yl-7H-purine-2,6-dione"	""	"IPDX"	"CC(Cn1c(=O)[nH]c(=O)c2c1nc([nH]2)N1CCCC1)C"	"KHQOTPZSYMSVHB-UHFFFAOYSA-N"	"InChI=1S/C13H19N5O2/c1-8(2)7-18-10-9(11(19)16-13(18)20)14-12(15-10)17-5-3-4-6-17/h8H,3-7H2,1-2H3,(H,14,15)(H,16,19,20)"	""	""	""
"2766"	"3-keto-lithocholic acid"	""	"Metabolite"	""	""	""	""	"135651407"	"5283906"	""	""	"CHEMBL410893"	""	""	""	""	"(4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid"	""	"3-keto-LCA|dehydrolithocholic acid"	"OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCC(=O)C2)C"	"KIQFUORWRVZTHT-OPTMKGCMSA-N"	"InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1"	""	""	""
"6654"	"3-ketosphinganine"	""	"Metabolite"	""	""	""	""	"178103266"	"439853"	""	""	""	""	""	""	""	"(2S)-2-amino-1-hydroxyoctadecan-3-one"	""	"3-dehydro-D-sphinganine|3-dehydrosphinganine|3-ketodihydrosphingosine|ketodihydrosphingosine"	"CCCCCCCCCCCCCCCC(=O)[C@H](CO)N"	"KBUNOSOGGAARKZ-KRWDZBQOSA-N"	"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/t17-/m0/s1"	""	""	""
"9270"	"3M-002"	""	"Synthetic organic"	""	""	""	""	"315661345"	"10198719"	""	""	"CHEMBL512901"	""	""	""	""	"2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine"	""	"CL-075|CL075"	"CCCc1nc2c(s1)c1ccccc1nc2N"	"NFYMGJSUKCDVJR-UHFFFAOYSA-N"	"InChI=1S/C13H13N3S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3,(H2,14,15)"	"yes"	""	""
"3396"	"3-MATIDA"	""	"Synthetic organic"	""	""	""	""	"178100409"	"10398360"	""	""	"CHEMBL1322301"	""	""	""	""	"5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid"	""	"&alpha;-amino-5-carboxy-3-methyl-2-thiopheneacetic acid"	"OC(=O)c1cc(c(s1)C(C(=O)O)N)C"	"KOMWRBFEDDEWEP-UHFFFAOYSA-N"	"InChI=1S/C8H9NO4S/c1-3-2-4(7(10)11)14-6(3)5(9)8(12)13/h2,5H,9H2,1H3,(H,10,11)(H,12,13)"	""	""	""
"5118"	"3-mercaptopyruvic acid"	""	"Metabolite"	""	""	""	""	"178101811"	"98"	""	""	""	""	""	""	""	"2-oxo-3-sulfanylpropanoic acid"	""	"3-mercaptopyruvate"	"OC(=O)C(=O)CS"	"OJOLFAIGOXZBCI-UHFFFAOYSA-N"	"InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)"	""	""	""
"6642"	"3-methoxytyramine"	""	"Metabolite"	""	""	""	""	"178103255"	"1669"	""	""	"CHEMBL1160785"	""	""	""	""	"4-(2-aminoethyl)-2-methoxyphenol"	""	"3-methoxy-4-hydroxyphenethylamine|3-MT"	"NCCc1ccc(c(c1)OC)O"	"DIVQKHQLANKJQO-UHFFFAOYSA-N"	"InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3"	""	""	""
"12471"	"3-methylhexanal"	""	"Synthetic organic"	""	""	""	""	"479821261"	"140511"	""	""	""	""	""	""	""	"3-methylhexanal"	""	""	"CCCC(C)CC=O"	"ZSJUABCTGCNBPF-UHFFFAOYSA-N"	"InChI=1S/C7H14O/c1-3-4-7(2)5-6-8/h6-7H,3-5H2,1-2H3"	""	""	""
"1401"	"3-MPPTS"	""	"Synthetic organic"	""	""	""	""	"135649739"	"10275802"	""	""	""	""	""	""	""	"2,2,2-trifluoro-N-[3-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide"	""	""	"COc1ccccc1Oc1cccc(c1)N(S(=O)(=O)CC(F)(F)F)Cc1cccnc1"	"GJWZEUKWBMFOAA-UHFFFAOYSA-N"	"InChI=1S/C21H19F3N2O4S/c1-29-19-9-2-3-10-20(19)30-18-8-4-7-17(12-18)26(14-16-6-5-11-25-13-16)31(27,28)15-21(22,23)24/h2-13H,14-15H2,1H3"	""	""	""
"2193"	"3-N<sub>3</sub>-Phpa-LVA"	""	"Peptide"	""	""	""	""	"135651958"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1745"	"3-phenacyl-UDP"	""	"Synthetic organic"	""	""	""	""	"135651408"	"11994011"	""	""	"CHEMBL215294"	""	""	""	""	"[(2R,3S,4R,5R)-5-[2,4-dioxo-3-(2-oxo-2-phenylethyl)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate"	""	"phenacyl-UDP"	"O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)n(c1=O)CC(=O)c1ccccc1)COP(=O)(OP(=O)(O)O)O"	"SEUHNFHNNANEAJ-DTZQCDIJSA-N"	"InChI=1S/C17H20N2O13P2/c20-11(10-4-2-1-3-5-10)8-19-13(21)6-7-18(17(19)24)16-15(23)14(22)12(31-16)9-30-34(28,29)32-33(25,26)27/h1-7,12,14-16,22-23H,8-9H2,(H,28,29)(H2,25,26,27)/t12-,14-,15-,16-/m1/s1"	""	""	""
"4104"	"3-phenyl-CPP"	""	"Synthetic organic"	""	""	""	""	"178100927"	"10356116"	""	""	""	""	""	""	""	"2-(4-chlorophenoxy)-3-phenylpropanoic acid"	""	""	"OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)Cl"	"CPBLTMSKPQDJPW-UHFFFAOYSA-N"	"InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)"	""	""	""
"627"	"[(3-Ph-Pr<sup>6</sup>), His<sup>7</sup>,D-Ala<sup>11</sup>,D-Pro<sup>13</sup>,&psi;13-14),Phe<sup>14</sup>]bombesin-(6-14)"	""	"Peptide"	""	""	""	""	"135651959"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1590"	"3-pyridine-acetic acid"	""	"Metabolite"	""	""	""	""	"135651409"	"108"	""	""	"CHEMBL1741437"	""	""	""	""	"2-pyridin-3-ylacetic acid"	""	"3-pyridineacetic acid"	"OC(=O)Cc1cccnc1"	"WGNUNYPERJMVRM-UHFFFAOYSA-N"	"InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)"	""	""	""
"3260"	"3-quinuclidinyl-benzilate"	""	"Synthetic organic"	""	""	""	""	"178100303"	"23056"	""	""	"CHEMBL12980"	""	""	""	""	"1-azabicyclo[2.2.2]octan-8-yl 2-hydroxy-2,2-di(phenyl)acetate"	""	"Buzz|BZ|EA-2277|QNB|Substance 78"	"O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2"	"HGMITUYOCPPQLE-UHFFFAOYSA-N"	"InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2"	""	""	""
"5081"	"4-1BB ligand"	"Human"	"Peptide"	""	""	""	""	"178101774"	"0"	"P41273"	"ENSG00000125657"	""	""	""	""	""	""	""	"CDw137L"	""	""	""	""	""	""
"5119"	"4,5,-IP<sub>2</sub>"	""	"Metabolite"	""	""	""	""	"178101812"	"125004"	""	""	"CHEMBL21825"	""	""	""	""	"{[(1R,2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid"	""	"1D-<i>myo</i>-inositol 4,5-bisphosphate"	"O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]([C@H]([C@H]1O)O)O"	"MCKAJXMRULSUKI-UZAAGFTCSA-N"	"InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2+,3-,4-,5+,6+/m0/s1"	""	""	""
"5730"	"4,9-anhydro-tetrodotoxin"	""	"Synthetic organic"	""	""	""	""	"178102356"	"73755148"	""	""	""	""	""	""	""	""	""	"4,9-ah-TTX|4,9-anhydro-TTX"	"OCC1(O)C2OC3(OC1C1C4(C2O)C3OC1NC(=[NH2+])N4)O"	"STNXQECXKDMLJK-UHFFFAOYSA-O"	"InChI=1S/C11H15N3O7/c12-8-13-6-2-4-9(17,1-15)5-3(16)10(2,14-8)7(19-6)11(18,20-4)21-5/h2-7,15-18H,1H2,(H3,12,13,14)/p+1"	""	""	""
"8841"	"4-acryloylphenol"	""	"Synthetic organic"	""	""	""	""	"252827498"	"16036927"	""	""	"CHEMBL378577"	""	""	""	""	"1-(4-hydroxyphenyl)prop-2-en-1-one"	""	"compound 6"	"C=CC(=O)c1ccc(cc1)O"	"NKPPNPJUBLEKAD-UHFFFAOYSA-N"	"InChI=1S/C9H8O2/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,10H,1H2"	""	""	""
"2500"	"4&alpha;-PDD"	""	"Metabolite"	""	""	""	""	"53801079"	"452544"	""	""	"CHEMBL118987"	""	""	""	""	""	""	"4&alpha;-phorbol 12,13-didecanoate|4alpha-phorbol-didecanoate"	"CCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]([C@H]3[C@]1(OC(=O)CCCCCCCCC)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO"	"DGOSGFYDFDYMCW-OEFRVDPMSA-N"	"InChI=1S/C40H64O8/c1-7-9-11-13-15-17-19-21-32(42)47-36-28(4)39(46)30(24-29(26-41)25-38(45)31(39)23-27(3)35(38)44)34-37(5,6)40(34,36)48-33(43)22-20-18-16-14-12-10-8-2/h23-24,28,30-31,34,36,41,45-46H,7-22,25-26H2,1-6H3/t28-,30+,31-,34-,36-,38+,39-,40-/m1/s1"	""	""	""
"4105"	"4&alpha;-PDH"	""	"Synthetic organic"	""	""	""	""	"178100928"	"42638006"	""	""	"CHEMBL490470"	""	""	""	""	"(1S,2S,6S,10S,11R,13S,14R,15R)-14-(hexanoyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-13-yl hexanoate"	""	"4&alpha;-phorbol 12,13-dihexanoate"	"CCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]([C@H]3[C@]1(OC(=O)CCCCC)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO"	"XGPRSRGBAHBMAF-QYSBVNMQSA-N"	"InChI=1S/C32H48O8/c1-7-9-11-13-24(34)39-28-20(4)31(38)22(16-21(18-33)17-30(37)23(31)15-19(3)27(30)36)26-29(5,6)32(26,28)40-25(35)14-12-10-8-2/h15-16,20,22-23,26,28,33,37-38H,7-14,17-18H2,1-6H3/t20-,22+,23-,26-,28-,30+,31-,32-/m1/s1"	""	""	""
"4702"	"4-AMBA"	""	"Synthetic organic"	""	""	""	""	"178101414"	"65526"	""	""	"CHEMBL328875"	""	""	""	""	"4-(aminomethyl)benzoic acid"	""	""	"NCc1ccc(cc1)C(=O)O"	"QCTBMLYLENLHLA-UHFFFAOYSA-N"	"InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)"	""	""	""
"6606"	"4-aminobutanal"	""	"Metabolite"	""	""	""	""	"178103219"	"118"	""	""	"CHEMBL2261442"	""	""	""	""	"4-aminobutanal"	""	""	"NCCCC=O"	"DZQLQEYLEYWJIB-UHFFFAOYSA-N"	"InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2"	""	""	""
"6258"	"4-APPES"	""	"Synthetic organic"	""	""	""	""	"178102878"	"11281345"	""	""	""	""	""	""	""	"4-[4-(ethylsulfonyl-(pyridin-3-ylmethyl)amino)phenoxy]benzamide"	""	""	"CCS(=O)(=O)N(c1ccc(cc1)Oc1ccc(cc1)C(=O)N)Cc1cccnc1"	"VCBPWPYIGXFKDH-UHFFFAOYSA-N"	"InChI=1S/C21H21N3O4S/c1-2-29(26,27)24(15-16-4-3-13-23-14-16)18-7-11-20(12-8-18)28-19-9-5-17(6-10-19)21(22)25/h3-14H,2,15H2,1H3,(H2,22,25)"	""	""	""
"7753"	"4-arylphthalazin-1(2H)-3,4-Di-F"	""	"Synthetic organic"	""	""	""	""	"223366086"	"56835134"	""	""	"CHEMBL1934835"	""	""	""	""	"N-[3-(1-{3-[4-(3,4-difluorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propyl}piperidin-4-yl)phenyl]acetamide"	""	""	"CC(=O)Nc1cccc(c1)C1CCN(CC1)CCCn1nc(c2ccc(c(c2)F)F)c2c(c1=O)cccc2"	"YVVMAGRTTSOPEO-UHFFFAOYSA-N"	"InChI=1S/C30H30F2N4O2/c1-20(37)33-24-7-4-6-22(18-24)21-12-16-35(17-13-21)14-5-15-36-30(38)26-9-3-2-8-25(26)29(34-36)23-10-11-27(31)28(32)19-23/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,33,37)"	""	""	""
"11309"	"4‐BCCA"	""	"Synthetic organic"	""	""	""	""	"434321744"	"2060518"	""	""	""	""	""	""	""	"4-butylcyclohexane-1-carboxylic acid"	""	"trans‐4‐butylcyclohexane carboxylic acid"	"CCCCC1CCC(CC1)C(=O)O"	"BALGERHMIXFENA-UHFFFAOYSA-N"	"InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)"	""	""	""
"3962"	"4BP-TQS"	""	"Synthetic organic"	""	""	""	""	"178100788"	"2857838"	""	""	""	""	""	""	""	"4-(4-bromophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-sulfonamide"	""	""	"Brc1ccc(cc1)C1Nc2ccc(cc2C2C1CC=C2)S(=O)(=O)N"	"YNCXHXYZTLIZTO-UHFFFAOYSA-N"	"InChI=1S/C18H17BrN2O2S/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(24(20,22)23)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H2,20,22,23)"	""	""	""
"2161"	"4-Cl-cinnamoyl-c[DCys-4Pal-DTrp-Orn-Val-Cys]-His-amide"	""	"Peptide"	""	""	""	""	"135651961"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5500"	"4-CMTB"	""	"Synthetic organic"	""	""	""	""	"178102146"	"4307629"	""	""	"CHEMBL610463"	""	""	""	""	"2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide"	""	""	"CC(C(C(=O)Nc1nccs1)c1ccc(cc1)Cl)C"	"AZYDQCGCBQYFSE-UHFFFAOYSA-N"	"InChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)"	""	""	""
"307"	"4-DAMP"	""	"Synthetic organic"	""	""	""	""	"135649797"	"1734"	""	""	"CHEMBL168067"	""	""	""	""	"(1,1-dimethylpiperidin-1-ium-4-yl) 2,2-di(phenyl)acetate"	""	"4-diphenylacetoxy-1,1-dimethylpiperidinium"	"O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C"	"HYJRTXSYDAFGJK-UHFFFAOYSA-N"	"InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1"	""	""	""
"13529"	"(+)-4 enantiomer  [PMID: 39046805]"	""	"Synthetic organic"	""	""	""	""	"500839939"	"172011806"	""	""	""	""	""	""	""	"5-methoxy-2,4-dimethyl-6-[(1S,6S)-4-(4-methylpent-3-en-1-yl)-6-phenylcyclohex-3-ene-1-carbonyl]benzene-1,3-diol"	""	""	"COC1=C(C(=O)[C@H]2CC=C(CCC=C(C)C)C[C@@H]2C3=CC=CC=C3)C(O)=C(C)C(O)=C1C"	"NDZMOXYPYAVMQI-XZOQPEGZSA-N"	"InChI=1S/C28H34O4/c1-17(2)10-9-11-20-14-15-22(23(16-20)21-12-7-6-8-13-21)27(31)24-26(30)18(3)25(29)19(4)28(24)32-5/h6-8,10,12-14,22-23,29-30H,9,11,15-16H2,1-5H3/t22-,23+/m0/s1"	""	""	""
"4014"	"4-fluorobenzoyl-FGLRW-NH2"	""	"Peptide"	""	""	""	""	"178100840"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10727"	"4F-MT-45"	""	"Synthetic organic"	""	""	""	""	"405067320"	"132990963"	""	""	""	""	""	""	""	"1-cyclohexyl-4-[1-(4-fluorophenyl)-2-phenylethyl]piperazine"	""	""	"Fc1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1"	"AGKZEOCNYCHVLW-UHFFFAOYSA-N"	"InChI=1S/C24H31FN2/c25-22-13-11-21(12-14-22)24(19-20-7-3-1-4-8-20)27-17-15-26(16-18-27)23-9-5-2-6-10-23/h1,3-4,7-8,11-14,23-24H,2,5-6,9-10,15-19H2"	""	""	""
"13597"	"4-hydroxybenzaldehyde"	""	"Natural product"	""	""	""	""	"504705416"	"126"	""	""	"CHEMBL14193"	""	""	""	""	"4-hydroxybenzaldehyde"	""	""	"C1=CC(=CC=C1C=O)O"	"RGHHSNMVTDWUBI-UHFFFAOYSA-N"	"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H"	""	""	""
"6274"	"4-hydroxynonenal"	""	"Metabolite"	""	""	""	""	"178102894"	"5283344"	""	""	"CHEMBL454280"	""	""	""	""	"4-hydroxynon-2-enal"	""	"4-HNE|4-hydroxy-2-nonenal|HNE"	"CCCCCC(/C=C/C=O)O"	"JVJFIQYAHPMBBX-FNORWQNLSA-N"	"InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+"	""	""	""
"6635"	"4-hydroxyphenyl acetaldehyde"	""	"Synthetic organic"	""	""	""	""	"178103248"	"440113"	""	""	""	""	""	""	""	"2-(4-hydroxyphenyl)acetaldehyde"	""	"p-hydroxyphenylacetaldehyde"	"O=CCc1ccc(cc1)O"	"IPRPPFIAVHPVJH-UHFFFAOYSA-N"	"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2"	""	""	""
"6629"	"4-hydroxyphenylpyruvic acid"	""	"Metabolite"	""	""	""	""	"178103242"	"979"	""	""	"CHEMBL607712"	""	""	""	""	"3-(4-Hydroxyphenyl)-2-oxopropanoic acid"	""	"4-HPPA|4-hydroxyphenylpyruvate"	"Oc1ccc(cc1)CC(=O)C(=O)O"	"KKADPXVIOXHVKN-UHFFFAOYSA-N"	"InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)"	""	""	""
"2817"	"4-hydroxytamoxifen"	""	"Synthetic organic"	""	""	""	""	"135649800"	"5284643"	""	""	"CHEMBL10041"	""	""	""	""	"4-[(Z)-1-[4-(2-dimethylaminoethyloxy)phenyl]-1-phenylbut-1-en-2-yl] phenol"	""	"4-OHT|4HT|afimoxifene"	"CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)O"	"DODQJNMQWMSYGS-QPLCGJKRSA-N"	"InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-"	""	""	""
"5801"	"4-(<i>n</i>-propyl)amino-3-nitrobenzoic acid"	""	"Synthetic organic"	""	""	""	""	"178102426"	"11715556"	""	""	"CHEMBL236011"	""	""	""	""	"3-nitro-4-propylaminobenzoic acid"	""	"compound 5c [PMID: 17931863]"	"CCCNc1ccc(cc1[N+](=O)[O-])C(=O)O"	"OVDGUTHABMXVMI-UHFFFAOYSA-N"	"InChI=1S/C10H12N2O4/c1-2-5-11-8-4-3-7(10(13)14)6-9(8)12(15)16/h3-4,6,11H,2,5H2,1H3,(H,13,14)"	""	""	""
"1269"	"4-methylhistamine"	""	"Synthetic organic"	""	""	""	""	"135649802"	"37463"	""	""	"CHEMBL275443"	""	""	""	""	"2-(5-methyl-1H-imidazol-4-yl)ethanamine"	""	""	"Cc1c(CCN)nc[nH]1"	"UGYXPZQILZRKJJ-UHFFFAOYSA-N"	"InChI=1S/C6H11N3/c1-5-6(2-3-7)9-4-8-5/h4H,2-3,7H2,1H3,(H,8,9)"	""	""	""
"5449"	"4-methylhomoibotenic acid"	""	"Synthetic organic"	""	""	""	""	"178102100"	"4121851"	""	""	"CHEMBL268762"	""	""	""	""	"2-amino-3-(4-methyl-3-oxo-2,3-dihydro-1,2-oxazol-5-yl)propanoic acid"	""	"(R,S)-4-methylhomoibotenic acid"	"OC(=O)C(Cc1o[nH]c(=O)c1C)N"	"QQKCZEULAPHDJP-UHFFFAOYSA-N"	"InChI=1S/C7H10N2O4/c1-3-5(13-9-6(3)10)2-4(8)7(11)12/h4H,2,8H2,1H3,(H,9,10)(H,11,12)"	""	""	""
"1402"	"4-MPPTS"	""	"Synthetic organic"	""	""	""	""	"135649803"	"9825084"	""	""	"CHEMBL108939"	""	""	""	""	"2,2,2-trifluoro-N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide"	""	"LY-487379|LY487379"	"COc1ccccc1Oc1ccc(cc1)N(S(=O)(=O)CC(F)(F)F)Cc1cccnc1"	"ALMACYDZFBMGOR-UHFFFAOYSA-N"	"InChI=1S/C21H19F3N2O4S/c1-29-19-6-2-3-7-20(19)30-18-10-8-17(9-11-18)26(14-16-5-4-12-25-13-16)31(27,28)15-21(22,23)24/h2-13H,14-15H2,1H3"	""	""	""
"12453"	"4-Nitrophenyl-&beta;-D-mannopyranoside"	""	"Synthetic organic"	""	""	""	""	"479821243"	"161880"	""	""	"CHEMBL4462691"	""	""	""	""	""	""	"(4-nitrophenyl) D-manno-hexopyranoside|4-Nitrophenyl beta-D-mannopyranoside|4-nitrophenyl d-mannopyranoside|paranitrophenyl mannopyranoside"	"OC[C@H]1O[C@@H](OC2=CC=C(C=C2)[N+]([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O"	"IFBHRQDFSNCLOZ-LDMBFOFVSA-N"	"InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11+,12-/m1/s1"	""	""	""
"11385"	"4OH-GTS-21"	""	"Synthetic organic"	""	""	""	""	"440816754"	"135508231"	""	""	"CHEMBL1162395"	""	""	""	""	"3-methoxy-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol"	""	"4-OH-GTS-21|4-OH-MBA"	"COc1cc(O)ccc1/C=C/1\CCCN=C1c1cccnc1"	"KXAAIPFSUGPVMQ-GXDHUFHOSA-N"	"InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/b14-10+"	""	""	""
"10562"	"4-OMe-ARM1"	""	"Synthetic organic"	""	""	""	""	"404859009"	"145704648"	""	""	""	""	""	""	""	"4-(4-{[4-(Methoxy)phenyl]methyl}phenyl)-1,3-thiazol-2-ylamine"	""	"compound 7 [PMID: 31751136]"	"COc1ccc(cc1)Cc1ccc(cc1)c1csc(n1)N"	"GGCCOFFVKJCRKJ-UHFFFAOYSA-N"	"InChI=1S/C17H16N2OS/c1-20-15-8-4-13(5-9-15)10-12-2-6-14(7-3-12)16-11-21-17(18)19-16/h2-9,11H,10H2,1H3,(H2,18,19)"	"yes"	""	""
"6608"	"4-oxobutanoate"	""	"Metabolite"	""	""	""	""	"178103221"	"9543238"	""	""	""	""	""	""	""	"4-oxobutanoate"	""	"succinate semialdehyde"	"O=CCCC(=O)[O-]"	"UIUJIQZEACWQSV-UHFFFAOYSA-M"	"InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)/p-1"	""	""	""
"6283"	"4-oxo-nonenal"	""	"Metabolite"	""	""	""	""	"178102903"	"6445537"	""	""	"CHEMBL1086447"	""	""	""	""	"(E)-4-oxonon-2-enal"	""	"4-ONE|4-oxo-2E-nonenal"	"CCCCCC(=O)/C=C/C=O"	"SEPPVOUBHWNCAW-FNORWQNLSA-N"	"InChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-8H,2-4,6H2,1H3/b7-5+"	""	""	""
"1358"	"4P-PDOT"	""	"Synthetic organic"	""	""	""	""	"135649804"	"3976006"	""	""	"CHEMBL285718"	""	""	""	""	"N-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide"	""	"4-phenyl-2-propionamidotetraline|N-(4-phenyltetralin-2-yl)propanamide"	"CCC(=O)NC1Cc2ccccc2C(C1)c1ccccc1"	"RCYLUNPFECYGDW-UHFFFAOYSA-N"	"InChI=1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)"	""	""	""
"1730"	"4-thio-UTP"	""	"Synthetic organic"	""	""	""	""	"135651410"	"3033941"	""	""	"CHEMBL1767409"	""	""	""	""	"[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate"	""	"4-S-UTP|4-thiouridine triphosphate"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=S)[nH]c1=O"	"GKVHYBAWZAYQDO-XVFCMESISA-N"	"InChI=1S/C9H15N2O14P3S/c12-6-4(3-22-27(18,19)25-28(20,21)24-26(15,16)17)23-8(7(6)13)11-2-1-5(29)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,18,19)(H,20,21)(H,10,14,29)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1"	""	""	""
"6604"	"4-trimethylammoniobutanal"	""	"Metabolite"	""	""	""	""	"178103217"	"133"	""	""	""	""	""	""	""	"trimethyl-(4-oxobutyl)azanium"	""	""	"O=CCCC[N+](C)(C)C"	"OITBLCDWXSXNCN-UHFFFAOYSA-N"	"InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1"	""	""	""
"6605"	"4-trimethylammoniobutanoate"	""	"Metabolite"	""	""	""	""	"178103218"	"725"	""	""	"CHEMBL2074645"	""	""	""	""	"4-trimethylazaniumylbutanoate"	""	""	"[O-]C(=O)CCC[N+](C)(C)C"	"JHPNVNIEXXLNTR-UHFFFAOYSA-N"	"InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3"	""	""	""
"8726"	"(4Z)-1-(3-fluorophenyl)-4-(2-oxo-1H-indol-3-ylidene)pyrazolidine-3,5-dione"	""	"Synthetic organic"	""	""	""	""	"252827384"	"976395"	""	""	"CHEMBL1381152"	""	""	""	""	"(4Z)-1-(3-fluorophenyl)-4-(2-oxo-1H-indol-3-ylidene)pyrazolidine-3,5-dione"	""	""	"Fc1cccc(c1)N1NC(=O)/C(=C\2/C(=O)Nc3c2cccc3)/C1=O"	"CDNIIUJDSUXPEZ-YPKPFQOOSA-N"	"InChI=1S/C17H10FN3O3/c18-9-4-3-5-10(8-9)21-17(24)14(16(23)20-21)13-11-6-1-2-7-12(11)19-15(13)22/h1-8H,(H,19,22)(H,20,23)/b14-13-"	""	""	""
"2554"	"5-(4-phenoxybutoxy)psoralen"	""	"Synthetic organic"	""	""	""	""	"135649819"	"11302540"	""	""	"CHEMBL444449"	""	""	""	""	"4-[4-(phenoxy)butoxy]furo[3,2-g]chromen-7-one"	""	""	"O=c1ccc2c(o1)cc1c(c2OCCCCOc2ccccc2)cco1"	"KINMYBBFQRSVLL-UHFFFAOYSA-N"	"InChI=1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2"	""	""	""
"1589"	"(+)-5-(5-bromothiophen-3-yl)-5-methyl-4-oxo-4,5-dihydro-furan-2-carboxylic acid"	""	"Synthetic organic"	""	""	""	""	"135649821"	"11483496"	""	""	"CHEMBL375493"	""	""	""	""	"5-(5-bromothiophen-3-yl)-5-methyl-4-oxofuran-2-carboxylic acid"	""	""	"Brc1scc(c1)C1(C)OC(=CC1=O)C(=O)O"	"WJDLYZAOTHNUJX-UHFFFAOYSA-N"	"InChI=1S/C10H7BrO4S/c1-10(5-2-8(11)16-4-5)7(12)3-6(15-10)9(13)14/h2-4H,1H3,(H,13,14)"	""	""	""
"6174"	"5-(6-chloro-2-hexyl-1H-indol-1-yl)-5-oxo-valeric acid"	""	"Synthetic organic"	""	""	""	""	"178102795"	"71655222"	""	""	""	""	""	""	""	"5-(6-chloro-2-hexyl-1H-indol-1-yl)-5-oxopentanoic acid"	""	"compound 39 [PMID: 23581530]"	"CCCCCCc1cc2c(n1C(=O)CCCC(=O)O)cc(cc2)Cl"	"KNTPSPKZGNVRML-UHFFFAOYSA-N"	"InChI=1S/C19H24ClNO3/c1-2-3-4-5-7-16-12-14-10-11-15(20)13-17(14)21(16)18(22)8-6-9-19(23)24/h10-13H,2-9H2,1H3,(H,23,24)"	""	""	""
"6304"	"5,6-epoxyeicosatrienoic acid"	""	"Metabolite"	""	""	""	""	"178102923"	"5283202"	""	""	"CHEMBL1893588"	""	""	""	""	"4-[3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]oxiran-2-yl]butanoic acid"	""	"(&plusmn;)5,6-EpETrE|(&plusmn;)5,6-epoxy-8Z,11Z,14Z-eicosatrienoic acid|5,6-EET"	"CCCCC/C=C\C/C=C\C/C=C\CC1OC1CCCC(=O)O"	"VBQNSZQZRAGRIX-QNEBEIHSSA-N"	"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-"	""	""	""
"2361"	"5,7-dichlorokynurenic acid"	""	"Synthetic organic"	""	""	""	""	"135649822"	"1779"	""	""	"CHEMBL50267"	""	""	""	""	"5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid"	""	""	"Clc1cc(Cl)c2c(c1)[nH]c(cc2=O)C(=O)O"	"BGKFPRIGXAVYNX-UHFFFAOYSA-N"	"InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)"	""	""	""
"4108"	"5&alpha;-pregnan-3&alpha;-ol-20-one"	""	"Metabolite"	"yes"	""	""	""	"178100930"	"92786"	""	""	"CHEMBL207538"	""	""	""	""	"1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone"	"brexanolone"	"3α,5α-tetrahydroprogesterone|3α,5α-THP|allopregnanolone|SAGE-547|SAGE547|Zulresso&reg;"	"O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C"	"AURFZBICLPNKBZ-SYBPFIFISA-N"	"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1"	""	""	""
"13001"	"5&alpha;-tetrahydrocorticosterone"	""	"Synthetic organic"	""	""	""	""	"485206122"	"101790"	""	""	""	""	""	""	""	"1-[(3R,5S,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone"	""	"5alpha-Tetrahydrocorticosterone|allotetrahydrocorticosterone"	"C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O)O"	"RHQQHZQUAMFINJ-NZTKVECHSA-N"	"InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,17-,19+,20-,21-/m0/s1"	""	""	""
"4784"	"5-aminolevulinic acid"	""	"Metabolite"	"yes"	""	""	""	"178101486"	"137"	""	""	"CHEMBL601"	""	""	""	""	"5-amino-4-oxopentanoic acid"	""	"5-aminolevulinate|Ameluz&reg;|D-aminolevulinic acid|Gliolan&reg;|Levulan&reg;"	"NCC(=O)CCC(=O)O"	"ZGXJTSGNIOSYLO-UHFFFAOYSA-N"	"InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)"	""	""	""
"4655"	"5-aminosalicylate"	""	"Synthetic organic"	""	""	""	""	"178101371"	"54675840"	""	""	""	""	""	""	""	"5-amino-2-hydroxybenzoate"	""	"5-ASA"	"Nc1ccc(c(c1)C(=O)[O-])O"	"KBOPZPXVLCULAV-UHFFFAOYSA-M"	"InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)/p-1"	""	""	""
"9541"	"5-BDBD"	""	"Synthetic organic"	""	""	""	""	"336446927"	"9841560"	""	""	"CHEMBL2180179"	""	""	""	""	"5-(3-bromophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one"	""	""	"Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1c2cccc1"	"NKYMVQPXXTZHSF-UHFFFAOYSA-N"	"InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21)"	""	""	""
"265"	"5-benzyloxytryptamine"	""	"Synthetic organic"	""	""	""	""	"135649825"	"89576"	""	""	"CHEMBL1288652"	""	""	""	""	"2-[5-(phenylmethoxy)-1H-indol-3-yl]ethanamine"	""	"5-BT"	"NCCc1c[nH]c2c1cc(OCc1ccccc1)cc2"	"WKPDXBXNJWWWGQ-UHFFFAOYSA-N"	"InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2"	""	""	""
"2803"	"5&beta;-cholestane-3&alpha;,7&alpha;,12&alpha;-triol"	""	"Metabolite"	""	""	""	""	"135651411"	"160520"	""	""	""	""	""	""	""	"(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol"	""	""	"CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@H](O)C[C@H]2[C@]1(C)CC[C@H](C2)O)C)C"	"RIVQQZVHIVNQFH-XJZYBRFWSA-N"	"InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1"	""	""	""
"2759"	"5&beta;-pregnane-3,20-dione"	""	"Synthetic organic"	""	""	""	""	"135650851"	"92745"	""	""	"CHEMBL486954"	""	""	""	""	"(5R,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one"	""	""	"O=C1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C"	"XMRPGKVKISIQBV-XWOJZHJZSA-N"	"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1"	""	""	""
"8422"	"5-BODMT"	""	"Synthetic organic"	""	""	""	""	"252166632"	"91827360"	""	""	""	""	""	""	""	"1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}pentan-2-one"	""	"5-N-butyryloxy-N,N-dimethyltryptamine|compound 10 [PMID 21422162]"	"CCCC(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2"	"OQDBJMBOPCUBGS-UHFFFAOYSA-N"	"InChI=1S/C17H24N2O/c1-4-5-15(20)10-13-6-7-17-16(11-13)14(12-18-17)8-9-19(2)3/h6-7,11-12,18H,4-5,8-10H2,1-3H3"	""	""	""
"1731"	"5BrUTP"	""	"Synthetic organic"	""	""	""	""	"135651412"	"9872620"	""	""	""	""	""	""	""	"[(2R,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate"	""	"5-bromo-UTP|5-bromouridine triphosphate|bromouridine 5'-triphosphate"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cc(Br)c(=O)[nH]c1=O"	"IWFHOSULCAJGRM-UAKXSSHOSA-N"	"InChI=1S/C9H14BrN2O15P3/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1"	""	""	""
"1591"	"5-butyl-1H-pyrazole-3-carboxylic acid"	""	"Synthetic organic"	""	""	""	""	"135649826"	"6485181"	""	""	"CHEMBL428730"	""	""	""	""	"5-butyl-1H-pyrazole-3-carboxylic acid"	""	""	"CCCCc1cc(n[nH]1)C(=O)O"	"ZJTXSGLJNBAMJS-UHFFFAOYSA-N"	"InChI=1S/C8H12N2O2/c1-2-3-4-6-5-7(8(11)12)10-9-6/h5H,2-4H2,1H3,(H,9,10)(H,11,12)"	""	""	""
"6917"	"5-butyl-methyl immidazole carboxylate 30"	""	"Synthetic organic"	""	""	""	""	"178103499"	"73755250"	""	""	""	""	""	""	""	"5-butyl-1-[[4-(2-methylphenyl)phenyl]methyl]imidazole-2-carboxylic acid"	""	"compound 30 [PMID: 22889560]"	"CCCCc1cnc(n1Cc1ccc(cc1)c1ccccc1C)C(=O)O"	"ZCAMCVJTCSXPMT-UHFFFAOYSA-N"	"InChI=1S/C22H24N2O2/c1-3-4-8-19-14-23-21(22(25)26)24(19)15-17-10-12-18(13-11-17)20-9-6-5-7-16(20)2/h5-7,9-14H,3-4,8,15H2,1-2H3,(H,25,26)"	""	""	""
"6560"	"5-Cl-5-deoxy-(&plusmn;)-ENBA"	""	"Synthetic organic"	""	""	""	""	"178103174"	"15599147"	""	""	""	""	""	""	""	"2-[6-({bicyclo[2.2.1]heptan-2-yl}amino)-9H-purin-9-yl]-5-(chloromethyl)oxolane-3,4-diol"	""	""	"ClCC1OC(C(C1O)O)n1cnc2c1ncnc2NC1CC2CC1CC2"	"PVJGDYDNVNCGBT-UHFFFAOYSA-N"	"InChI=1S/C17H22ClN5O3/c18-5-11-13(24)14(25)17(26-11)23-7-21-12-15(19-6-20-16(12)23)22-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5H2,(H,19,20,22)"	""	""	""
"4"	"5-CT"	""	"Synthetic organic"	""	""	""	""	"135649828"	"1809"	""	""	"CHEMBL18840"	""	""	""	""	"3-(2-aminoethyl)-1H-indole-5-carboxamide"	""	"5-carboxamidotryptamine"	"NCCc1c[nH]c2c1cc(cc2)C(=O)N"	"WKZLNEWVIAGNAW-UHFFFAOYSA-N"	"InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)"	""	""	""
"5120"	"5'-dAMP"	""	"Metabolite"	""	""	""	""	"178101813"	"12599"	""	""	"CHEMBL1206239"	""	""	""	""	"{[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid"	""	"2'-deoxyadenosine 5'-monophosphate|dAMP"	"O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1ncnc2N"	"KHWCHTKSEGGWEX-RRKCRQDMSA-N"	"InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1"	""	""	""
"5122"	"5'-dGMP"	""	"Metabolite"	""	""	""	""	"178101815"	"135398597"	""	""	"CHEMBL477487"	""	""	""	""	"{[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid"	""	""	"O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1[nH]c(N)nc2=O"	"LTFMZDNNPPEQNG-KVQBGUIXSA-N"	"InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1"	""	""	""
"8728"	"(5E)-1-(4-fluorophenyl)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione"	""	"Synthetic organic"	""	""	""	""	"252827386"	"1389577"	""	""	"CHEMBL1412784"	""	""	""	""	"(5E)-1-(4-fluorophenyl)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione"	""	""	"Fc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(s2)C)/C1=O"	"KXFOCXRVKPGLHA-MDWZMJQESA-N"	"InChI=1S/C16H11FN2O2S2/c1-9-2-7-12(23-9)8-13-14(20)18-16(22)19(15(13)21)11-5-3-10(17)4-6-11/h2-8H,1H3,(H,18,20,22)/b13-8+"	""	""	""
"4855"	"5'-fluoroindirubinoxime"	""	"Synthetic organic"	""	""	""	""	"178101556"	"135398503"	""	""	""	""	""	""	""	""	""	""	"O/N=C\1/C(=C/2\C(=O)Nc3c2cc(F)cc3)/Nc2c1cccc2"	"RJIBTAMXAXHIAN-IOJOKMQUSA-N"	"InChI=1S/C16H10FN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18,22H,(H,19,21)/b15-13+,20-14+"	""	""	""
"146"	"5-fluorotryptamine"	""	"Synthetic organic"	""	""	""	""	"135649833"	"164682"	""	""	"CHEMBL275628"	""	""	""	""	"2-(5-fluoro-1H-indol-3-yl)ethanamine"	""	""	"NCCc1c[nH]c2c1cc(F)cc2"	"ZKIORVIXEWIOGB-UHFFFAOYSA-N"	"InChI=1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2"	""	""	""
"4789"	"5-fluorouracil"	""	"Synthetic organic"	"yes"	""	""	""	"178101491"	"3385"	""	""	"CHEMBL185"	""	""	""	""	"5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione"	"fluorouracil"	"Adrucil&reg;|Carac&reg;"	"Fc1c[nH]c(=O)[nH]c1=O"	"GHASVSINZRGABV-UHFFFAOYSA-N"	"InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)"	""	""	""
"4614"	"5-fluorouridine"	""	"Synthetic organic"	""	""	""	""	"178101334"	"9427"	""	""	"CHEMBL54918"	""	""	""	""	"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione"	""	""	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(F)c(=O)[nH]c1=O"	"FHIDNBAQOFJWCA-UAKXSSHOSA-N"	"InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1"	""	""	""
"13587"	"5F-MDMB-P7AICA"	""	"Synthetic organic"	""	""	""	""	"504705406"	"165361518"	""	""	""	""	""	""	""	"methyl (2S)-2-[[1-(5-fluoropentyl)pyrrolo[2,3-b]pyridine-3-carbonyl]amino]-3,3-dimethylbutanoate"	"abacavir"	"5-fluoro MDMB-7-PAICA|7′N-5F-ADB|compound 12 [PMID: 33253529]"	"CC(C)(C)[C@@H](C(=O)OC)NC(=O)C1=CN(C2=C1C=CC=N2)CCCCCF"	"LIRBKFHBIDESHO-MRXNPFEDSA-N"	"InChI=1S/C20H28FN3O3/c1-20(2,3)16(19(26)27-4)23-18(25)15-13-24(12-7-5-6-10-21)17-14(15)9-8-11-22-17/h8-9,11,13,16H,5-7,10,12H2,1-4H3,(H,23,25)/t16-/m1/s1"	""	""	""
"5123"	"5'-GMP"	""	"Metabolite"	""	""	""	""	"178101816"	"135398631"	""	""	"CHEMBL283807"	""	""	""	""	"{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid"	""	"GMP|guanosine 5'-monophosphate|guanosine monophosphate"	"O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1[nH]c(N)nc2=O)COP(=O)(O)O"	"RQFCJASXJCIDSX-UUOKFMHZSA-N"	"InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1"	""	""	""
"1669"	"5'-guanidinonaltrindole"	""	"Synthetic organic"	""	""	""	""	"135650307"	"9826034"	""	""	"CHEMBL485832"	""	""	""	""	"2-[(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.0^{1,13}.0^{2,21}.0^{4,12}.0^{5,10}.0^{19,25}]pentacosa-4(12),5,7,9,15(25),16,18-heptaen-7-yl]guanidine"	""	"GNTI"	"NC(=Nc1ccc2c(c1)c1C[C@@]3(O)[C@H]4Cc5c6[C@]3([C@H](c1[nH]2)Oc6c(O)cc5)CCN4CC1CC1)N"	"VLNHDKDBGWXJEE-GYHUNEDQSA-N"	"InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-18-16(10-15)17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,24(35-23)22(17)31-18)7-8-32(20)12-13-1-2-13/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20-,24+,26+,27-/m1/s1"	""	""	""
"8748"	"5H3'FPE"	""	"Synthetic organic"	""	""	""	""	"252827406"	"71662429"	""	""	"CHEMBL2347914"	""	""	""	""	"5-hydroxy-2-(3-prop-2-ynoxyphenyl)chromen-4-one"	""	""	"C#CCOc1cccc(c1)c1cc(=O)c2c(o1)cccc2O"	"OCMGAXUTMOJVBQ-UHFFFAOYSA-N"	"InChI=1S/C18H12O4/c1-2-9-21-13-6-3-5-12(10-13)17-11-15(20)18-14(19)7-4-8-16(18)22-17/h1,3-8,10-11,19H,9H2"	""	""	""
"11351"	"5H78PF"	""	"Synthetic organic"	""	""	""	""	"440816720"	"155817510"	""	""	""	""	""	""	""	"5-hydroxy-2-phenyl-2H,3H,4H,8H-pyrano[2,3-f]chromen-4-one"	""	""	"O=C1CC(Oc2c1c(O)cc1c2C=CCO1)c1ccccc1"	"USERNAUADQTGOU-UHFFFAOYSA-N"	"InChI=1S/C18H14O4/c19-13-9-15(11-5-2-1-3-6-11)22-18-12-7-4-8-21-16(12)10-14(20)17(13)18/h1-7,10,15,20H,8-9H2"	""	""	""
"1345"	"5-HEAT"	""	"Synthetic organic"	""	""	""	""	"135649834"	"10849065"	""	""	"CHEMBL126809"	""	""	""	""	"N-[2-[5-(2-hydroxyethoxy)-1H-indol-3-yl]ethyl]acetamide"	""	"5-hydroxyethoxy-N-acetyltryptamine"	"OCCOc1ccc2c(c1)c(CCNC(=O)C)c[nH]2"	"CZPLTTWZQPLXMQ-UHFFFAOYSA-N"	"InChI=1S/C14H18N2O3/c1-10(18)15-5-4-11-9-16-14-3-2-12(8-13(11)14)19-7-6-17/h2-3,8-9,16-17H,4-7H2,1H3,(H,15,18)"	""	""	""
"137"	"5-HT-moduline"	""	"Peptide"	""	""	""	""	"135651962"	"7048566"	""	""	""	""	""	""	""	""	""	"PEPTIDE1{L.S.A.L}$$$$"	"OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)C)NC(=O)[C@H](CC(C)C)N"	"IMIVWAUMTAIVPJ-XUXIUFHCSA-N"	"InChI=1S/C18H34N4O6/c1-9(2)6-12(19)16(25)22-14(8-23)17(26)20-11(5)15(24)21-13(18(27)28)7-10(3)4/h9-14,23H,6-8,19H2,1-5H3,(H,20,26)(H,21,24)(H,22,25)(H,27,28)/t11-,12-,13-,14-/m0/s1"	""	""	""
"2295"	"5-hydroxyindole"	""	"Synthetic organic"	""	""	""	""	"135649835"	"16054"	""	""	"CHEMBL404923"	""	""	""	""	"1H-Indol-5-ol"	""	""	"Oc1ccc2c(c1)cc[nH]2"	"LMIQERWZRIFWNZ-UHFFFAOYSA-N"	"InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H"	""	""	""
"6634"	"5-hydroxyindole acetaldehyde"	""	"Metabolite"	""	""	""	""	"178103247"	"74688"	""	""	""	""	""	""	""	"2-(5-hydroxy-1H-indol-3-yl)acetaldehyde"	""	"5-hydroxyindole-3-acetaldehyde|5-hydroxyindolylacetaldehyde"	"O=CCc1c[nH]c2c1cc(O)cc2"	"OBFAPCIUSYHFIE-UHFFFAOYSA-N"	"InChI=1S/C10H9NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,4-6,11,13H,3H2"	""	""	""
"11900"	"5-hydroxyindoleacetic acid"	""	"Synthetic organic"	""	""	""	""	"461663455"	"1826"	""	""	"CHEMBL395915"	""	""	""	""	"2-(5-hydroxy-1H-indol-3-yl)acetic acid"	""	""	"c1cc2c(cc1O)c(c[nH]2)CC(=O)O"	"DUUGKQCEGZLZNO-UHFFFAOYSA-N"	"InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)"	"yes"	""	""
"4671"	"5-hydroxy-L-tryptophan"	""	"Metabolite"	""	""	""	""	"178101386"	"439280"	""	""	"CHEMBL350221"	""	""	""	""	"(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid"	"oxitriptan"	"5-hydroxytryptophan"	"OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N"	"LDCYZAJDBXYCGN-VIFPVBQESA-N"	"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1"	""	""	""
"10939"	"5-Hydroxymethyl-2-furfural"	""	"Natural product"	""	""	""	""	"405560380"	"237332"	""	""	"ChEMBL185885"	""	""	""	""	"5-(hydroxymethyl)furan-2-carbaldehyde"	""	"5HMF"	"OCc1ccc(o1)C=O"	"NOEGNKMFWQHSLB-UHFFFAOYSA-N"	"InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2"	""	""	""
"5"	"5-hydroxytryptamine"	""	"Metabolite"	""	""	""	""	"135651413"	"5202"	""	""	"CHEMBL39"	""	""	""	""	"3-(2-Aminoethyl)-1H-indol-5-o"	""	"5-HT|serotonin"	"NCCc1c[nH]c2c1cc(O)cc2"	"QZAYGJVTTNCVMB-UHFFFAOYSA-N"	"InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2"	""	""	""
"5124"	"5'-inosine monophosphate"	""	"Metabolite"	""	""	""	""	"178101817"	"135398640"	""	""	"CHEMBL1207374"	""	""	""	""	"{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid"	""	"5'-IMP|IMP|inosine 5'-monophosphate|inosinic acid"	"O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1[nH]cnc2=O)COP(=O)(O)O"	"GRSZFWQUAKGDAV-KQYNXXCUSA-N"	"InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1"	""	""	""
"4109"	"5'-iodoresiniferatoxin"	""	"Synthetic organic"	""	""	""	""	"178100931"	"6324614"	""	""	"CHEMBL595069"	""	""	""	""	""	""	"I-RTX"	"COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(O[C@]3([C@H]3[C@@](C2)(O)C(=O)C(=C3)C)[C@@H](C[C@@]4(O5)C(=C)C)C)Cc2ccccc2)cc(c1O)I"	"TZUJORCXGLGWDV-DZBJMWFRSA-N"	"InChI=1S/C37H39IO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33-,34-,35-,36-,37-/m1/s1"	""	""	""
"3013"	"5-ketodihydromevinolin"	""	"Synthetic organic"	""	""	""	""	"135649776"	"44298287"	""	""	"CHEMBL293944"	""	""	""	""	"(3R)-7-[(1S,2S,4aR,6S,8S)-2,6-dimethyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-hydroxy-5-oxoheptanoic acid"	""	"compound 69 [PMID: 3656359]"	"CC[C@@H](C(=O)O[C@H]1C[C@@H](C)C[C@H]2C1[C@@H](CCC(=O)C[C@H](CC(=O)O)O)[C@H](C=C2)C)C"	"OOKAZRDERJMRCJ-KOUAFAAESA-N"	"InChI=1S/C24H38O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,14-17,19-21,23,26H,5,8-13H2,1-4H3,(H,27,28)/t14-,15-,16-,17-,19+,20-,21-,23?/m0/s1"	""	""	""
"5183"	"5-LOX activating protein"	"Human"	"Peptide"	""	""	""	""	"178101873"	"0"	"P20292"	"ENSG00000132965"	""	""	""	""	""	""	""	"5-lipoxygenase-activating protein|arachidonate 5-lipoxygenase-activating protein|FLAP"	""	""	""	"yes"	""	""
"10079"	"5-LOX inhibitor 2m [PMID: 30199704]"	""	"Synthetic organic"	""	""	""	""	"375973266"	"134813912"	""	""	""	""	""	""	""	"(2-(diphenylamino)-4-(4-methoxyphenyl)thiazol-5-yl)(phenyl)methanone"	""	""	"COc1ccc(cc1)c1nc(sc1C(=O)c1ccccc1)N(c1ccccc1)c1ccccc1"	"GCBYJNQEZBSRJO-UHFFFAOYSA-N"	"InChI=1S/C29H22N2O2S/c1-33-25-19-17-21(18-20-25)26-28(27(32)22-11-5-2-6-12-22)34-29(30-26)31(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20H,1H3"	"yes"	""	""
"3393"	"5MCA-NAT"	""	"Synthetic organic"	""	""	""	""	"178100406"	"4284525"	""	""	"CHEMBL504585"	""	""	""	""	"methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate"	""	"5-methoxy-carbonylamino-N-acetyltryptamine"	"COC(=O)Nc1ccc2c(c1)c(CCNC(=O)C)c[nH]2"	"MPZVHKLZCUEJFO-UHFFFAOYSA-N"	"InChI=1S/C14H17N3O3/c1-9(18)15-6-5-10-8-16-13-4-3-11(7-12(10)13)17-14(19)20-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18)(H,17,19)"	""	""	""
"4107"	"5-Me-IAA"	""	"Synthetic organic"	""	""	""	""	"178100929"	"22359367"	""	""	"CHEMBL243929"	""	""	""	""	"2-(4-methyl-1H-imidazol-5-yl)acetic acid"	""	"5-methy-1<i>H</i>-imidazole-4-acetic acid"	"Cc1nc[nH]c1CC(=O)O"	"BINCHKHDIQXADS-UHFFFAOYSA-N"	"InChI=1S/C6H8N2O2/c1-4-5(2-6(9)10)8-3-7-4/h3H,2H2,1H3,(H,7,8)(H,9,10)"	""	""	""
"145"	"5-MeO-DMT"	""	"Synthetic organic"	""	""	""	""	"135649836"	"1832"	""	""	"CHEMBL7257"	""	""	""	""	"2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine"	""	"5-methoxydimethyltryptamine|MeODMT"	"COc1ccc2c(c1)c(CCN(C)C)c[nH]2"	"ZSTKHSQDNIGFLM-UHFFFAOYSA-N"	"InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3"	""	""	""
"107"	"5-MeOT"	""	"Synthetic organic"	""	""	""	""	"135649837"	"1833"	""	""	"CHEMBL8165"	""	""	""	""	"2-(5-methoxy-1H-indol-3-yl)ethanamine"	""	"5-methoxytryptamine|5-MT|mexamine"	"NCCc1c[nH]c2c1cc(OC)cc2"	"JTEJPPKMYBDEMY-UHFFFAOYSA-N"	"InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3"	""	""	""
"1364"	"5-methoxy-luzindole"	""	"Synthetic organic"	""	""	""	""	"135649838"	"129776"	""	""	"CHEMBL339105"	""	""	""	""	"N-[2-[5-methoxy-2-(phenylmethyl)-1H-indol-3-yl]ethyl]acetamide"	""	"5-methoxyluzindole"	"COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)Cc1ccccc1"	"MUQOTEHRXIKHKR-UHFFFAOYSA-N"	"InChI=1S/C20H22N2O2/c1-14(23)21-11-10-17-18-13-16(24-2)8-9-19(18)22-20(17)12-15-6-4-3-5-7-15/h3-9,13,22H,10-12H2,1-2H3,(H,21,23)"	""	""	""
"1599"	"5-methyl-5-(5-methylthiophen-3-yl)-4-oxo-4,5-dihydrofuran-2-carboxylic acid"	""	"Synthetic organic"	""	""	""	""	"135649839"	"11436345"	""	""	"CHEMBL424938"	""	""	""	""	"5-methyl-5-(5-methylthiophen-3-yl)-4-oxofuran-2-carboxylic acid"	""	"compound 5aj [PMID: 17358052]"	"Cc1scc(c1)C1(C)OC(=CC1=O)C(=O)O"	"NNWGOUJBCKZULC-UHFFFAOYSA-N"	"InChI=1S/C11H10O4S/c1-6-3-7(5-16-6)11(2)9(12)4-8(15-11)10(13)14/h3-5H,1-2H3,(H,13,14)"	""	""	""
"1592"	"5-methyl nicotinic acid"	""	"Synthetic organic"	""	""	""	""	"135649840"	"256208"	""	""	"CHEMBL247132"	""	""	""	""	"5-methylpyridine-3-carboxylic acid"	""	""	"Cc1cc(cnc1)C(=O)O"	"DJDHHXDFKSLEQY-UHFFFAOYSA-N"	"InChI=1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)"	""	""	""
"489"	"5-methylurapidil"	""	"Synthetic organic"	""	""	""	""	"135649841"	"5640"	""	""	"CHEMBL420060"	""	""	""	""	"6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3,5-trimethylpyrimidine-2,4-dione"	""	"5 methylurapidil|5-methyl-urapidil"	"COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C"	"HIHZDNKKIUQQSC-UHFFFAOYSA-N"	"InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3"	""	""	""
"1419"	"5-MPEP"	""	"Synthetic organic"	""	""	""	""	"135649842"	"14343211"	""	""	""	""	""	""	""	"5-methyl-2-(2-phenylethynyl)pyridine"	""	""	"Cc1ccc(nc1)C#Cc1ccccc1"	"HESJPHOOGDBABM-UHFFFAOYSA-N"	"InChI=1S/C14H11N/c1-12-7-9-14(15-11-12)10-8-13-5-3-2-4-6-13/h2-7,9,11H,1H3"	""	""	""
"8723"	"5nd"	""	"Peptide"	""	""	""	""	"252827381"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1192"	"5-(N,N-hexamethylene)-amiloride"	""	"Synthetic organic"	""	""	""	""	"135650351"	"1794"	""	""	"CHEMBL501701"	""	""	""	""	"3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide"	""	"HMA"	"NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N"	"RQQJJXVETXFINY-UHFFFAOYSA-N"	"InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)"	""	""	""
"106"	"5-(nonyloxy)-tryptamine"	""	"Synthetic organic"	""	""	""	""	"135649844"	"1797"	""	""	"CHEMBL97450"	""	""	""	""	"2-(5-nonoxy-1H-indol-3-yl)ethanamine"	""	""	"CCCCCCCCCOc1ccc2c(c1)c(CCN)c[nH]2"	"YHSMSRREJYOGQJ-UHFFFAOYSA-N"	"InChI=1S/C19H30N2O/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19/h9-10,14-15,21H,2-8,11-13,20H2,1H3"	""	""	""
"128"	"5-OH-DPAT"	""	"Synthetic organic"	""	""	""	""	"135649845"	"172267"	""	""	"CHEMBL273273"	""	""	""	""	"6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol"	""	"6-dipropylaminotetralin-1-ol"	"CCCN(C1CCc2c(C1)cccc2O)CCC"	"MDBWEQVKJDMEMK-UHFFFAOYSA-N"	"InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3"	""	""	""
"6913"	"5-oxo-1-2-4-oxadiazol biphenyl"	""	"Synthetic organic"	""	""	""	""	"178103495"	"136218976"	""	""	""	""	""	""	""	"(2S)-2-[[4-[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl-propanoylamino]pentanoic acid"	""	"compound 1c [PMID: 22410249]"	"CCC[C@H](N(C(=O)CC)Cc1ccc(cc1)c1ccccc1c1noc(=O)[nH]1)C(=O)O"	"FXELTRKWYHPHAE-IBGZPJMESA-N"	"InChI=1S/C23H25N3O5/c1-3-7-19(22(28)29)26(20(27)4-2)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)21-24-23(30)31-25-21/h5-6,8-13,19H,3-4,7,14H2,1-2H3,(H,28,29)(H,24,25,30)/t19-/m0/s1"	""	""	""
"6171"	"5-oxo-12-HETE"	""	"Metabolite"	""	""	""	""	"178102792"	"10568747"	""	""	"CHEMBL3115778"	""	""	""	""	"(6E,8Z,10E,12S,14Z)-12-hydroxy-5-oxoicosa-6,8,10,14-tetraenoic acid"	""	"5-oxo-12S-hydroxy-6E,8Z,10E,14Z-eicosatetraenoic acid"	"CCCCC/C=C\C[C@@H](/C=C/C=C\C=C\C(=O)CCCC(=O)O)O"	"MLZJFLKEKVDNAZ-XPKTZJOPSA-N"	"InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18,21H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7-,9-6-,14-10+,15-11+/t18-/m0/s1"	""	""	""
"6167"	"5-oxo-15-HETE"	""	"Metabolite"	""	""	""	""	"178102788"	"6438757"	""	""	"CHEMBL1682258"	""	""	""	""	"(6E,8Z,11Z,13E,15S)-15-hydroxy-5-oxoicosa-6,8,11,13-tetraenoic acid"	""	"5-oxo-15-hydroxy-(6E,8Z,11Z,13E)-eicosatetraenoic acid"	"CCCCC[C@@H](/C=C/C=C\C/C=C\C=C\C(=O)CCCC(=O)O)O"	"RIUDRKHGFDAKPO-WWWYWCMOSA-N"	"InChI=1S/C20H30O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18,21H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/b7-5-,8-6-,14-10+,15-11+/t18-/m0/s1"	""	""	""
"6169"	"5-oxo-20-HETE"	""	"Metabolite"	""	""	""	""	"178102790"	"73755178"	""	""	""	""	""	""	""	"(6E,8Z,11Z,14Z)-20-hydroxy-5-oxoicosa-6,8,11,14-tetraenoic acid"	""	"5-oxo-20-hydroxy-6E, 8Z,11Z, 14Z-eicosatetraenoic acid"	"OCCCCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCC(=O)O"	"DTSRZRUIWKDHMR-DHYYJNSCSA-N"	"InChI=1S/C20H30O4/c21-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19(22)16-14-17-20(23)24/h2-5,8,10,12,15,21H,1,6-7,9,11,13-14,16-18H2,(H,23,24)/b4-2-,5-3-,10-8-,15-12+"	""	""	""
"3392"	"5-oxo-C20:3"	""	"Metabolite"	""	""	""	""	"135651414"	"56947094"	""	""	""	""	""	""	""	"(6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid"	""	"5-oxo-6e,8z,11z-eicosatrienoic acid|5-oxo-ETrE"	"CCCCCCCC/C=C\C/C=C\C=C/C(=O)CCCC(=O)O"	"ULMVEQWNDGUUBR-IEQFDQMRSA-N"	"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14-"	""	""	""
"3391"	"5-oxo-ETE"	""	"Metabolite"	""	""	""	""	"135651415"	"5283159"	""	""	"CHEMBL18028"	""	""	""	""	"(6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoic acid"	""	""	"CCCCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCC(=O)O"	"MEASLHGILYBXFO-XTDASVJISA-N"	"InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+"	""	""	""
"6164"	"5-oxo-ODE"	""	"Metabolite"	""	""	""	""	"178102785"	"71751402"	""	""	""	""	""	""	""	"(6E,8Z)-5-oxooctadeca-6,8-dienoic acid"	""	"5-oxo-(6E,8Z)-octadecadienoic acid"	"CCCCCCCCC/C=C\C=C\C(=O)CCCC(=O)O"	"YVWMHFYOIJMUMN-HSINTONASA-N"	"InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h10-12,14H,2-9,13,15-16H2,1H3,(H,20,21)/b11-10-,14-12+"	""	""	""
"6414"	"5PAM523"	""	"Synthetic organic"	""	""	""	""	"178103030"	"46946406"	""	""	""	""	""	""	""	"5-fluoro-2-{3-[(3S,6R)-1-[(4-fluorophenyl)carbonyl]-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl}pyridine"	""	""	"Fc1ccc(cc1)C(=O)N1C[C@H](CC[C@H]1C)c1noc(n1)c1ccc(cn1)F"	"JOBPCEDWVKYVKZ-OCCSQVGLSA-N"	"InChI=1S/C20H18F2N4O2/c1-12-2-3-14(11-26(12)20(27)13-4-6-15(21)7-5-13)18-24-19(28-25-18)17-9-8-16(22)10-23-17/h4-10,12,14H,2-3,11H2,1H3/t12-,14+/m1/s1"	""	""	""
"3390"	"5S-HETE"	""	"Metabolite"	""	""	""	""	"135651416"	"5280733"	""	""	"CHEMBL164813"	""	""	""	""	"(5S,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid"	""	"5-(S)-hydroxyeicosatetraenoic acid"	"CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)O"	"KGIJOOYOSFUGPC-JGKLHWIESA-N"	"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1"	""	""	""
"2483"	"5S-HPETE"	""	"Metabolite"	""	""	""	""	"53801093"	"5280778"	""	""	"CHEMBL1743204"	""	""	""	""	"(5S,6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoic acid"	""	"5-(S)-hydroperoxyeicosatetraenoic acid|5S-HpETE"	"CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)OO"	"JNUUNUQHXIOFDA-JGKLHWIESA-N"	"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1"	""	""	""
"5125"	"5'-UMP"	""	"Metabolite"	""	""	""	""	"178101818"	"6030"	""	""	"CHEMBL214393"	""	""	""	""	"{[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid"	""	"UMP|uridine 5'-monophosphate|uridine monophosphate|uridylic acid"	"O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O"	"DJJCXFVJDGTHFX-XVFCMESISA-N"	"InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1"	""	""	""
"8727"	"(5Z)-1-(2-fluorophenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione"	""	"Synthetic organic"	""	""	""	""	"252827385"	"1905297"	""	""	"CHEMBL1408705"	""	""	""	""	"(5Z)-1-(2-fluorophenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione"	""	""	"O=C1NC(=S)N(C(=O)/C/1=C\c1cccs1)c1ccccc1F"	"MKKQUOFAFVQDCS-NTMALXAHSA-N"	"InChI=1S/C15H9FN2O2S2/c16-11-5-1-2-6-12(11)18-14(20)10(13(19)17-15(18)21)8-9-4-3-7-22-9/h1-8H,(H,17,19,21)/b10-8-"	""	""	""
"8729"	"(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione"	""	"Synthetic organic"	""	""	""	""	"252827387"	"1389577"	""	""	"CHEMBL1558954"	""	""	""	""	"(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione"	""	""	"Brc1ccc(s1)/C=C\1/C(=O)NC(=S)N(C1=O)C"	"DHXHBTASCMMTSD-XQRVVYSFSA-N"	"InChI=1S/C10H7BrN2O2S2/c1-13-9(15)6(8(14)12-10(13)16)4-5-2-3-7(11)17-5/h2-4H,1H3,(H,12,14,16)/b6-4-"	""	""	""
"8077"	"5Z-7-oxozeaenol"	""	"Synthetic organic"	""	""	""	""	"249565757"	"9863776"	""	""	"CHEMBL1077979"	""	""	""	""	"(2E,5S,6S,8Z,11S)-5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-dione"	""	"(5Z)-7-oxozeaenol|FR-148083|LL-Z1640-2"	"COc1cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\C[C@@H](OC(=O)c2c(c1)O)C"	"NEQZWEXWOFPKOT-BYRRXHGESA-N"	"InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1"	""	""	""
"11350"	"65PF"	""	"Synthetic organic"	""	""	""	""	"440816719"	"155817509"	""	""	""	""	""	""	""	"3-phenyl-1H,2H,3H,8H-pyrano[3,2-f]chromen-1-one"	""	""	"O=C1CC(Oc2c1c1C=CCOc1cc2)c1ccccc1"	"XIKPIBLKOKRKJQ-UHFFFAOYSA-N"	"InChI=1S/C18H14O3/c19-14-11-17(12-5-2-1-3-6-12)21-16-9-8-15-13(18(14)16)7-4-10-20-15/h1-9,17H,10-11H2"	""	""	""
"6574"	"6-aminocaproic acid"	""	"Synthetic organic"	"yes"	""	""	""	"178103188"	"564"	""	""	"CHEMBL1046"	""	""	""	""	"6-aminohexanoic acid"	"aminocaproic acid"	"&epsilon;-aminocaproic acid|Amicar&reg;|EACA"	"NCCCCCC(=O)O"	"SLXKOJJOQWFEFD-UHFFFAOYSA-N"	"InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)"	""	""	""
"1346"	"6-Cl-MLT"	""	"Synthetic organic"	""	""	""	""	"135649846"	"1858"	""	""	"CHEMBL34730"	""	""	""	""	"N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide"	""	"6-chloromelatonin|6-Cl-melatonin"	"COc1cc2c(CCNC(=O)C)c[nH]c2cc1Cl"	"LUINDDOUWHRIPW-UHFFFAOYSA-N"	"InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)"	""	""	""
"9749"	"6E11"	""	"Synthetic organic"	""	""	""	""	"354702222"	"132427685"	""	""	""	""	""	""	""	"2-[4-(benzyloxy)phenyl]-2,5-dihydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one"	""	""	"COc1cc2OC(O)(CC(=O)c2c(c1)O)c1ccc(cc1)OCc1ccccc1"	"OUAZLWHOOTXVCE-UHFFFAOYSA-N"	"InChI=1S/C23H20O6/c1-27-18-11-19(24)22-20(25)13-23(26,29-21(22)12-18)16-7-9-17(10-8-16)28-14-15-5-3-2-4-6-15/h2-12,24,26H,13-14H2,1H3"	"yes"	""	""
"3205"	"6-fluoromevalonate 5-diphosphate"	""	"Synthetic organic"	""	""	""	""	"135649848"	"56947062"	""	""	""	""	""	""	""	"6-fluoro-3-hydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylhexanoic acid"	""	""	"FCC(OP(=O)(OP(=O)(O)O)O)CC(CC(=O)O)(O)C"	"YGLNCOGHKIHKSA-UHFFFAOYSA-N"	"InChI=1S/C7H15FO10P2/c1-7(11,3-6(9)10)2-5(4-8)17-20(15,16)18-19(12,13)14/h5,11H,2-4H2,1H3,(H,9,10)(H,15,16)(H2,12,13,14)"	""	""	""
"7996"	"6-fluoromevalonate pyrophosphate"	""	"Synthetic organic"	""	""	""	""	"249565676"	"44306087"	""	""	"CHEMBL1160328"	""	""	""	""	"(3R)-3-(fluoromethyl)-3-hydroxy-5-[hydroxy(phosphonooxy)phosphoryl]oxypentanoic acid"	""	"6-FMevPP"	"FC[C@](CC(=O)O)(CCOP(=O)(OP(=O)(O)O)O)O"	"YIGLDWRZXXHIGZ-ZCFIWIBFSA-N"	"InChI=1S/C6H13FO10P2/c7-4-6(10,3-5(8)9)1-2-16-19(14,15)17-18(11,12)13/h10H,1-4H2,(H,8,9)(H,14,15)(H2,11,12,13)/t6-/m1/s1"	""	""	""
"510"	"6-fluoro-noradrenaline"	""	"Synthetic organic"	""	""	""	""	"135649849"	"1862"	""	""	"CHEMBL281232"	""	""	""	""	"4-(2-amino-1-hydroxyethyl)-5-fluorobenzene-1,2-diol"	""	"5-fluoronorepinephrine|6-fluoro-NE|6-fluoronorepinephrine"	"NCC(c1cc(O)c(cc1F)O)O"	"SBUQBFTXTZSRMH-UHFFFAOYSA-N"	"InChI=1S/C8H10FNO3/c9-5-2-7(12)6(11)1-4(5)8(13)3-10/h1-2,8,11-13H,3,10H2"	""	""	""
"5126"	"6-fluorotryptophan"	""	"Synthetic organic"	""	""	""	""	"178101819"	"94937"	""	""	"CHEMBL472222"	""	""	""	""	"2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid"	""	""	"OC(=O)C(Cc1c[nH]c2c1ccc(c2)F)N"	"YMEXGEAJNZRQEH-UHFFFAOYSA-N"	"InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)"	""	""	""
"8023"	"6H05"	""	"Synthetic organic"	""	""	""	""	"249565703"	"73443124"	""	""	""	""	""	""	""	"1-{2-[(4-chlorophenyl)sulfanyl]acetyl}-N-(2-{[2-(dimethylamino)ethyl]disulfanyl}ethyl)piperidine-4-carboxamide"	""	"S7330"	"CN(CCSSCCNC(=O)C1CCN(CC1)C(=O)CSc1ccc(cc1)Cl)C"	"WEEYMZOUPNIHLG-UHFFFAOYSA-N"	"InChI=1S/C20H30ClN3O2S3/c1-23(2)12-14-29-28-13-9-22-20(26)16-7-10-24(11-8-16)19(25)15-27-18-5-3-17(21)4-6-18/h3-6,16H,7-15H2,1-2H3,(H,22,26)"	""	""	""
"9878"	"6-Hydroxy-5,7-dimethoxyflavone"	""	"Natural product"	""	""	""	""	"363894172"	"14372618"	""	""	"CHEMBL464108"	""	""	""	""	""	""	"UFM-24|UFM24"	"COc1cc2oc(cc(=O)c2c(c1O)OC)c1ccccc1"	"YLSUKCVZCXUJBF-UHFFFAOYSA-N"	"InChI=1S/C17H14O5/c1-20-14-9-13-15(17(21-2)16(14)19)11(18)8-12(22-13)10-6-4-3-5-7-10/h3-9,19H,1-2H3"	"yes"	""	""
"1347"	"6-hydroxymelatonin"	""	"Synthetic organic"	""	""	""	""	"135649850"	"1864"	""	""	"CHEMBL127421"	""	""	""	""	"N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide"	""	"6-OH-melatonin|6-OH-MLT"	"COc1cc2c(CCNC(=O)C)c[nH]c2cc1O"	"OMYMRCXOJJZYKE-UHFFFAOYSA-N"	"InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)"	""	""	""
"14117"	"6-iodoamiloride"	""	"Synthetic organic"	""	""	""	""	"518520744"	"3085183"	""	""	"CHEMBL1962825"	""	""	""	""	"3,5-diamino-N-(diaminomethylidene)-6-iodopyrazine-2-carboxamide"	""	"compound 94 [PMID: 37260417]"	"C1(=C(N=C(C(=N1)I)N)N)C(=O)N=C(N)N"	"FKXYVYMLZGVJIM-UHFFFAOYSA-N"	"InChI=1S/C6H8IN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)"	""	""	""
"4110"	"6-iodo-nordihydrocapsaicin"	""	"Synthetic organic"	""	""	""	""	"178100932"	"24881008"	""	""	""	""	""	""	""	"N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-7-methyloctanamide"	""	""	"COc1cc(CNC(=O)CCCCCC(C)C)c(cc1O)I"	"MGJQSBQUFTWMOG-UHFFFAOYSA-N"	"InChI=1S/C17H26INO3/c1-12(2)7-5-4-6-8-17(21)19-11-13-9-16(22-3)15(20)10-14(13)18/h9-10,12,20H,4-8,11H2,1-3H3,(H,19,21)"	""	""	""
"9111"	"6-methoxysakuranetin"	""	"Natural product"	""	""	""	""	"315661196"	"44412004"	""	""	"CHEMBL210692"	""	""	""	""	"(2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-2,3-dihydrochromen-4-one"	""	"compound 33 [PMID: 21650152]"	"COC1=C(C(=C2C(=O)C[C@H](OC2=C1)C3=CC=C(C=C3)O)O)OC"	"DEOJMRBCCZJDEC-LBPRGKRZSA-N"	"InChI=1S/C17H16O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-6,8,12,18,20H,7H2,1-2H3/t12-/m0/s1"	""	""	""
"12466"	"6-Methylflavone"	""	"Natural product"	""	""	""	""	"479821256"	"689013"	""	""	"CHEMBL134291"	""	""	""	""	"6-methyl-2-phenylchromen-4-one"	""	"6-methyl-2-phenylchromen-4-one"	"CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3"	"NOQJBXPAMJLUSS-UHFFFAOYSA-N"	"InChI=1S/C16H12O2/c1-11-7-8-15-13(9-11)14(17)10-16(18-15)12-5-3-2-4-6-12/h2-10H,1H3"	""	""	""
"5846"	"6-n-octylaminouracil"	""	"Synthetic organic"	""	""	""	""	"178102470"	"10354234"	""	""	""	""	""	""	""	"6-(octylamino)-1H-pyrimidine-2,4-dione"	""	"6-n-octyl aminouracil"	"CCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1"	"PFSWASUQURIOOR-UHFFFAOYSA-N"	"InChI=1S/C12H21N3O2/c1-2-3-4-5-6-7-8-13-10-9-11(16)15-12(17)14-10/h9H,2-8H2,1H3,(H3,13,14,15,16,17)"	"yes"	""	""
"11212"	"6-nonylpyridine-2,4-diol"	""	"Synthetic organic"	""	""	""	""	"434122272"	"127045422"	""	""	""	""	""	""	""	"4-hydroxy-6-nonyl-1H-pyridin-2-one"	""	""	"CCCCCCCCCc1cc(O)cc(=O)[nH]1"	"JCINCSYDDSRQQC-UHFFFAOYSA-N"	"InChI=1S/C14H23NO2/c1-2-3-4-5-6-7-8-9-12-10-13(16)11-14(17)15-12/h10-11H,2-9H2,1H3,(H2,15,16,17)"	""	""	""
"12585"	"6-prenylnaringenin"	""	"Natural product"	""	""	""	""	"479821375"	"155094"	""	""	""	""	""	""	""	"(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one"	""	"(2S)-6-Prenylnaringenin"	"CC(=CCC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)C"	"YHWNASRGLKJRJJ-KRWDZBQOSA-N"	"InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3/t17-/m0/s1"	""	""	""
"4111"	"6-tert-butyl-<i>m</i>-cresol"	""	"Synthetic organic"	""	""	""	""	"178100933"	"6937"	""	""	"CHEMBL1880057"	""	""	""	""	"2-tert-butyl-5-methylphenol"	""	""	"Cc1ccc(c(c1)O)C(C)(C)C"	"XOUQAVYLRNOXDO-UHFFFAOYSA-N"	"InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3"	""	""	""
"3271"	"77-LH-28-1"	""	"Synthetic organic"	""	""	""	""	"178100312"	"10236758"	""	""	""	""	""	""	""	"1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one"	""	""	"CCCCC1CCN(CC1)CCCN1C(=O)CCc2c1cccc2"	"PHMGZAICAOYEAF-UHFFFAOYSA-N"	"InChI=1S/C21H32N2O/c1-2-3-7-18-12-16-22(17-13-18)14-6-15-23-20-9-5-4-8-19(20)10-11-21(23)24/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3"	""	""	""
"8818"	"7ACC2"	""	"Synthetic organic"	""	""	""	""	"252827475"	"72696735"	""	""	"CHEMBL2442509"	""	""	""	""	"7-[benzyl(methyl)amino]-2-oxochromene-3-carboxylic acid"	""	"compound 19 [PMID: 24095010]"	"CN(c1ccc2c(c1)oc(=O)c(c2)C(=O)O)Cc1ccccc1"	"XTKDQPFUOFAMRL-UHFFFAOYSA-N"	"InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)"	""	""	""
"4350"	"7&alpha;,25-dihydroxycholesterol"	""	"Metabolite"	""	""	""	""	"178101167"	"11954197"	""	""	""	""	""	""	""	"(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol"	""	"7&alpha;-25-OHC"	"O[C@H]1CC[C@]2(C(=C[C@H]([C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(O)(C)C)C)C)O)C1)C"	"BQMSKLCEWBSPPY-IKVTXIKFSA-N"	"InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1"	""	""	""
"4353"	"7&alpha;,27-dihydroxycholesterol"	""	"Metabolite"	""	""	""	""	"178101170"	"15907756"	""	""	""	""	""	""	""	"(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol"	""	"7&alpha;, 27-OHC"	"OC[C@@H](CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@H](O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C"	"RXMHNAKZMGJANZ-GNENNHQYSA-N"	"InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17-,18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1"	""	""	""
"1840"	"7&alpha;-Cl-ginkgolide B"	""	"Natural product"	""	""	""	""	"135652654"	"73755014"	""	""	""	""	""	""	""	""	""	"7&alpha;-Cl-GB"	"O=C1O[C@@H]2[C@@](C1C)(O)[C@]13C4(C2O)C(OC3=O)C(C(C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)Cl"	"GXEIWFYPUUOBJY-UUSFTXJGSA-N"	"InChI=1S/C20H23ClO10/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,22-23,27H,1-4H3/t5?,6?,7?,8?,9-,10?,11-,15?,17?,18?,19+,20-/m0/s1"	""	""	""
"1841"	"7&alpha;-F-ginkgolide B"	""	"Natural product"	""	""	""	""	"135652655"	"73755015"	""	""	""	""	""	""	""	""	""	"7&alpha;-F-GB"	"O=C1O[C@@H]2[C@@](C1C)(O)[C@]13C4(C2O)C(OC3=O)C(C(C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)F"	"NKHCTSYWTBHOAK-UUSFTXJGSA-N"	"InChI=1S/C20H23FO10/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,22-23,27H,1-4H3/t5?,6?,7?,8?,9-,10?,11-,15?,17?,18?,19+,20-/m0/s1"	""	""	""
"4351"	"7&alpha;-hydroxycholesterol"	""	"Metabolite"	""	""	""	""	"178101168"	"107722"	""	""	"CHEMBL497207"	""	""	""	""	"(3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol"	""	"7-&alpha;-OHC"	"CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@H](O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C"	"OYXZMSRRJOYLLO-RVOWOUOISA-N"	"InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1"	""	""	""
"1844"	"7&alpha;-NHEt-ginkgolide B"	""	"Natural product"	""	""	""	""	"135652656"	"73755018"	""	""	""	""	""	""	""	""	""	"7&alpha;-NHEt-GB"	"CCN[C@H]1C(C(C)(C)C)C23C45C1OC(=O)[C@@]5(OC2OC(=O)[C@@H]3O)[C@@]1([C@H](C4O)OC(=O)C1C)O"	"UIERCQIWSNGSNJ-YUTHRBKVSA-N"	"InChI=1S/C22H29NO10/c1-6-23-8-9(18(3,4)5)19-11(25)15(27)32-17(19)33-22-16(28)31-12(8)20(19,22)10(24)13-21(22,29)7(2)14(26)30-13/h7-13,17,23-25,29H,6H2,1-5H3/t7?,8-,9?,10?,11-,12?,13-,17?,19?,20?,21+,22-/m0/s1"	""	""	""
"1845"	"7&alpha;-NHMe-ginkgolide B"	""	"Natural product"	""	""	""	""	"135652657"	"73755019"	""	""	""	""	""	""	""	""	""	"7&alpha;-NHMe-GB"	"CN[C@@H]1C2OC(=O)[C@@]34C2(C2(C1C(C)(C)C)C(O3)OC(=O)[C@@H]2O)C(O)[C@H]1[C@]4(O)C(C(=O)O1)C"	"IFVRBXXBLQUPAA-WOBCBQRJSA-N"	"InChI=1S/C21H27NO10/c1-6-13(25)29-12-9(23)19-11-7(22-5)8(17(2,3)4)18(19)10(24)14(26)31-16(18)32-21(19,15(27)30-11)20(6,12)28/h6-12,16,22-24,28H,1-5H3/t6?,7-,8?,9?,10-,11?,12-,16?,18?,19?,20+,21-/m0/s1"	""	""	""
"1843"	"7&alpha;-NH<sub>2</sub>-ginkgolide B"	""	"Natural product"	""	""	""	""	"135652658"	"73755017"	""	""	""	""	""	""	""	""	""	"7&alpha;-NH<sub>2</sub>-GB"	"O=C1O[C@@H]2[C@@](C1C)(O)[C@]13C4(C2O)C(OC3=O)[C@H](C(C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)N"	"OONDPNQTNMFTRA-AQPRMESZSA-N"	"InChI=1S/C20H25NO10/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,22-23,27H,21H2,1-4H3/t5?,6-,7?,8?,9-,10?,11-,15?,17?,18?,19+,20-/m0/s1"	""	""	""
"1842"	"7&alpha;-N<sub>3</sub>-ginkgolide B"	""	"Natural product"	""	""	""	""	"135652659"	"73755016"	""	""	""	""	""	""	""	""	""	"7&alpha;-N<sub>3</sub>-GB"	"[N-]=[N]=N[C@H]1C(C(C)(C)C)C23C45C1OC(=O)[C@@]5(OC2OC(=O)[C@@H]3O)[C@@]1([C@H](C4O)OC(=O)C1C)O"	"QHUUTLYBXWTSBQ-AQPRMESZSA-N"	"InChI=1S/C20H23N3O10/c1-5-12(26)30-11-8(24)18-10-6(22-23-21)7(16(2,3)4)17(18)9(25)13(27)32-15(17)33-20(18,14(28)31-10)19(5,11)29/h5-11,15,24-25,29H,1-4H3/q-1/t5?,6-,7?,8?,9-,10?,11-,15?,17?,18?,19+,20-/m0/s1"	""	""	""
"1846"	"7&alpha;-OAc-ginkgolide B"	""	"Natural product"	""	""	""	""	"135652660"	"73755020"	""	""	""	""	""	""	""	""	""	"7&alpha;-OAc-GB"	"CC(=O)OC1C(C(C)(C)C)C23C45C1OC(=O)[C@@]5(OC2OC(=O)[C@@H]3O)[C@@]1([C@H](C4O)OC(=O)C1C)O"	"PTVXMWRAVPFHBG-OIYCRRHPSA-N"	"InChI=1S/C22H26O12/c1-6-14(26)31-13-10(24)20-12-8(30-7(2)23)9(18(3,4)5)19(20)11(25)15(27)33-17(19)34-22(20,16(28)32-12)21(6,13)29/h6,8-13,17,24-25,29H,1-5H3/t6?,8?,9?,10?,11-,12?,13-,17?,19?,20?,21+,22-/m0/s1"	""	""	""
"1847"	"7&alpha;-OCOCH<sub>2</sub>Ph-ginkgolide B"	""	"Natural product"	""	""	""	""	"135652661"	"73755021"	""	""	""	""	""	""	""	""	""	"7&alpha;-OCOCH<sub>2</sub>Ph-GB"	"O=C(O[C@H]1C(C(C)(C)C)C23C45C1OC(=O)[C@@]5(OC2OC(=O)[C@@H]3O)[C@@]1([C@H](C4O)OC(=O)C1C)O)Cc1ccccc1"	"IYWGNBBAQNQGIC-MAVMKJRYSA-N"	"InChI=1S/C28H30O12/c1-11-20(32)37-19-16(30)26-18-14(36-13(29)10-12-8-6-5-7-9-12)15(24(2,3)4)25(26)17(31)21(33)39-23(25)40-28(26,22(34)38-18)27(11,19)35/h5-9,11,14-19,23,30-31,35H,10H2,1-4H3/t11?,14-,15?,16?,17-,18?,19-,23?,25?,26?,27+,28-/m0/s1"	""	""	""
"4355"	"7&beta;, 25-dihydroxycholesterol"	""	"Metabolite"	""	""	""	""	"178101172"	"473142"	""	""	""	""	""	""	""	"(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol"	""	""	"O[C@H]1CC[C@]2(C(=C[C@@H]([C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(O)(C)C)C)C)O)C1)C"	"BQMSKLCEWBSPPY-CGSQRZAOSA-N"	"InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23+,24+,26+,27-/m1/s1"	""	""	""
"4354"	"7&beta;, 27-dihydroxycholesterol"	""	"Metabolite"	""	""	""	""	"178101171"	"52931518"	""	""	""	""	""	""	""	"(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol"	""	"7&beta;,26-dihydroxycholesterol"	"OC[C@@H](CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@@H](O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C"	"RXMHNAKZMGJANZ-BMOLSTJGSA-N"	"InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17-,18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1"	""	""	""
"4352"	"7&beta;-hydroxycholesterol"	""	"Metabolite"	""	""	""	""	"178101169"	"473141"	""	""	"CHEMBL497834"	""	""	""	""	"(3S,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol"	""	"7-&beta;-OHC"	"CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@@H](O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C"	"OYXZMSRRJOYLLO-KGZHIOMZSA-N"	"InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1"	""	""	""
"10109"	"7-BIA"	""	"Synthetic organic"	""	""	""	""	"381118819"	"137321149"	""	""	""	""	""	""	""	"7-butoxy-3-hydroxy-6-methoxy-1-oxo-3,4-dihydro-1H-2-benzopyran-5-carbaldehyde"	""	"compound 14 [PMID: 30348770]"	"CCCCOc1cc2C(=O)OC(Cc2c(c1OC)C=O)O"	"DAVCIYWSVYDJKW-UHFFFAOYSA-N"	"InChI=1S/C15H18O6/c1-3-4-5-20-12-6-10-9(7-13(17)21-15(10)18)11(8-16)14(12)19-2/h6,8,13,17H,3-5,7H2,1-2H3"	""	""	""
"1848"	"7-epi-ginkgolide C"	""	"Natural product"	""	""	""	""	"135652662"	"58761009"	""	""	""	""	""	""	""	"(1S,6R,9R,13S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione"	""	"7-epi-GC"	"O=C1O[C@@H]2[C@@](C1C)(O)[C@]13C4(C2O)C(OC3=O)[C@@H](C(C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)O"	"AMOGMTLMADGEOQ-RNOCTPMTSA-N"	"InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5?,6-,7?,8?,9+,10?,11+,15?,17?,18?,19-,20+/m1/s1"	""	""	""
"1303"	"7-fluorochromone-2-carboxamide"	""	"Synthetic organic"	""	""	""	""	"135649860"	"11539096"	""	""	"CHEMBL214021"	""	""	""	""	"N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide"	""	""	"Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)OCO2"	"FVFURMJFTAJXRH-UHFFFAOYSA-N"	"InChI=1S/C23H21FN2O5/c24-15-2-3-17-18(27)11-22(31-20(17)10-15)23(28)25-16-5-7-26(8-6-16)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,16H,5-8,12-13H2,(H,25,28)"	""	""	""
"3432"	"7-hydroxycholesterol"	""	"Metabolite"	""	""	""	""	"178100434"	"15571093"	""	""	""	""	""	""	""	"(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol"	""	"7-OHC"	"CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C(O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C"	"OYXZMSRRJOYLLO-UOQFGJKXSA-N"	"InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24?,25+,26+,27-/m1/s1"	""	""	""
"7907"	"7-hydroxystaurosporine"	""	"Synthetic organic"	""	""	""	""	"249565590"	"72271"	""	""	"CHEMBL1236539"	""	""	""	""	""	""	"KRX-0601|KRX0601|UCN 01|UCN-01"	"CN[C@@H]1C[C@H]2O[C@]([C@@H]1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3[C@H](NC1=O)O"	"PBCZSGKMGDDXIJ-HQCWYSJUSA-N"	"InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1"	""	""	""
"6"	"7-methoxy-1-naphthylpiperazine"	""	"Synthetic organic"	""	""	""	""	"135649861"	"14533720"	""	""	""	""	""	""	""	"oxiran-2-ylmethyl N-[2-(dimethyl-trimethylsilylsilyl)ethyl]carbamate"	""	""	"O=C(OCC1OC1)NCC[Si]([Si](C)(C)C)(C)C"	"RMYUPIFLALKWOD-UHFFFAOYSA-N"	"InChI=1S/C11H25NO3Si2/c1-16(2,3)17(4,5)7-6-12-11(13)15-9-10-8-14-10/h10H,6-9H2,1-5H3,(H,12,13)"	""	""	""
"13191"	"7-methylcyanopindolol"	""	"Synthetic organic"	""	""	""	""	"491299973"	"91885640"	""	""	""	""	""	""	""	"4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1H-indole-2-carbonitrile"	""	""	"C(C)(C)(C)NC[C@@H](COC1=C2C=C(NC2=C(C=C1)C)C#N)O"	"NDCOGBYMSDLXAU-ZDUSSCGKSA-N"	"InChI=1S/C17H23N3O2/c1-11-5-6-15(14-7-12(8-18)20-16(11)14)22-10-13(21)9-19-17(2,3)4/h5-7,13,19-21H,9-10H2,1-4H3/t13-/m0/s1"	""	""	""
"5127"	"7NI"	""	"Synthetic organic"	""	""	""	""	"178101820"	"1893"	""	""	"CHEMBL247378"	""	""	""	""	"7-nitro-1H-indazole"	""	"7-nitroindazole"	"[O-][N+](=O)c1cccc2c1[nH]nc2"	"PQCAUHUKTBHUSA-UHFFFAOYSA-N"	"InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)"	""	""	""
"950"	"7-OH-DPAT"	""	"Synthetic organic"	""	""	""	""	"135649862"	"1219"	""	""	"CHEMBL285755"	""	""	""	""	"7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol"	""	"(+)-7-hydroxy-2-aminopropylaminotetralin|(+)7-OH-DPAT"	"CCCN(C1CCc2c(C1)cc(cc2)O)CCC"	"BLYMJBIZMIGWFK-UHFFFAOYSA-N"	"InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3"	""	""	""
"951"	"7-trans-OH-PIPAT"	""	"Synthetic organic"	""	""	""	""	"135649863"	"6604758"	""	""	"CHEMBL1474532"	""	""	""	""	"(7R)-7-[[(Z)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol"	""	"8-OH-PIPAT"	"I/C=C\CN([C@@H]1CCc2c(C1)c(O)ccc2)CCC"	"QBXHUZJZYDSLRH-RXTQTKKPSA-N"	"InChI=1S/C16H22INO/c1-2-10-18(11-4-9-17)14-8-7-13-5-3-6-16(19)15(13)12-14/h3-6,9,14,19H,2,7-8,10-12H2,1H3/b9-4-/t14-/m1/s1"	""	""	""
"9025"	"852A"	""	"Synthetic organic"	""	""	""	""	"315661110"	"10309114"	""	""	"CHEMBL549344"	""	""	""	""	"N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide"	""	""	"CCc1nc2c(n1CCCCNS(=O)(=O)C)c1ccccc1nc2N"	"YZOQZEXYFLXNKA-UHFFFAOYSA-N"	"InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)"	"yes"	""	""
"385"	"8-cyclopentyltheophylline"	""	"Synthetic organic"	""	""	""	""	"135650136"	"1917"	""	""	"CHEMBL106265"	""	""	""	""	"8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione"	""	"CPT"	"Cn1c2nc([nH]c2c(=O)n(c1=O)C)C1CCCC1"	"SCVHFRLUNIOSGI-UHFFFAOYSA-N"	"InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)"	""	""	""
"4112"	"8-deoxy-neodysiherbaine"	""	"Synthetic organic"	""	""	""	""	"178100934"	"73755079"	""	""	""	""	""	""	""	"(2R,6S)-2-[(2S)-2-azaniumyl-2-carboxylatoethyl]-6-hydroxy-hexahydro-2H-furo[3,2-b]pyran-2-carboxylate"	""	"8-deoxy-neoDH"	"O[C@@H]1COC2C(C1)O[C@@](C2)(C[C@@H](C(=O)[O-])[NH3+])C(=O)[O-]"	"JVLNPAVKDNEYGY-SCTSMQQKSA-M"	"InChI=1S/C11H17NO7/c12-6(9(14)15)2-11(10(16)17)3-8-7(19-11)1-5(13)4-18-8/h5-8,13H,1-4,12H2,(H,14,15)(H,16,17)/p-1/t5-,6-,7?,8?,11+/m0/s1"	""	""	""
"14558"	"8-methylamino inosinic acid"	""	"Synthetic organic"	""	""	""	""	"528429879"	"178342686"	""	""	""	""	""	""	""	""	""	""	"C=1NC(=O)C=2N=C(NC)N([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2N1"	"PKIWQPOSLNAOHS-KQYNXXCUSA-N"	"InChI=1S/C11H16N5O8P/c1-12-11-15-5-8(13-3-14-9(5)19)16(11)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H,12,15)(H,13,14,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1"	""	""	""
"7"	"8-OH-DPAT"	""	"Synthetic organic"	""	""	""	""	"135649864"	"1220"	""	""	"CHEMBL56"	""	""	""	""	"7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol"	""	""	"CCCN(C1CCc2c(C1)c(O)ccc2)CCC"	"ASXGJMSKWNBENU-UHFFFAOYSA-N"	"InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3"	""	""	""
"5172"	"8-pCPT-2'-O-Me-cAMP"	""	"Synthetic organic"	""	""	""	""	"178101862"	"9913268"	""	""	"CHEMBL397985"	""	""	""	""	"8-(4-chlorophenyl)sulfanyl-9-[(1R,6R,8R,9R)-3-hydroxy-9-methoxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]purin-6-amine"	""	"8CPT-2MecAMP|CPT-2'OMe-cAMP"	"CO[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1c(Sc2ccc(cc2)Cl)nc2c1ncnc2N"	"BCGHHRAUZWOTNH-XNIJJKJLSA-N"	"InChI=1S/C17H17ClN5O6PS/c1-26-13-12-10(6-27-30(24,25)29-12)28-16(13)23-15-11(14(19)20-7-21-15)22-17(23)31-9-4-2-8(18)3-5-9/h2-5,7,10,12-13,16H,6H2,1H3,(H,24,25)(H2,19,20,21)/t10-,12-,13-,16-/m1/s1"	""	""	""
"2679"	"8S-HETE"	""	"Metabolite"	""	""	""	""	"135651417"	"5283154"	""	""	""	""	""	""	""	"(5Z,8S,9E,11Z,14Z)-8-hydroxyicosa-5,9,11,14-tetraenoic acid"	""	"8-hydroxyeicosatetraenoic acid"	"CCCCC/C=C\C/C=C\C=C\[C@H](C/C=C\CCCC(=O)O)O"	"NLUNAYAEIJYXRB-VYOQERLCSA-N"	"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1"	""	""	""
"12739"	"'9213"	""	"Synthetic organic"	""	""	""	""	"483123287"	"166221107"	""	""	""	""	""	""	""	"N-(3-cyanophenyl)-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide"	""	"Z1723430981|ZINC000475239213"	"CN1C(=O)NC=2N=CC(=CC12)C=3C=CC=C(C3)C(=O)NC=4C=CC=C(C#N)C4"	"XSVFRMFCXWPMBB-UHFFFAOYSA-N"	"InChI=1S/C21H15N5O2/c1-26-18-10-16(12-23-19(18)25-21(26)28)14-5-3-6-15(9-14)20(27)24-17-7-2-4-13(8-17)11-22/h2-10,12H,1H3,(H,24,27)(H,23,25,28)"	""	""	""
"5129"	"9&alpha;,11&beta;-prostaglandin F<sub>2&alpha;</sub>"	""	"Metabolite"	""	""	""	""	"178101821"	"71684403"	""	""	""	""	""	""	""	"(5Z)-7-[(2R,3S)-3,5-dihydroxy-2-[(1E)-3-hydroxyoct-1-en-1-yl]cyclopentyl]hept-5-enoic acid"	""	"11-<i>epi</i>-prostaglandin F<sub>2&alpha;</sub>"	"CCCCCC(/C=C/[C@H]1[C@@H](O)CC(C1C/C=C\CCCC(=O)O)O)O"	"PXGPLTODNUVGFL-CXMQRTRKSA-N"	"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15?,16?,17-,18?,19+/m1/s1"	""	""	""
"4113"	"9-anthroic acid"	""	"Synthetic organic"	""	""	""	""	"178100935"	"2201"	""	""	"CHEMBL1513985"	""	""	""	""	"anthracene-9-carboxylic acid"	""	"9-AC|anthracene-10-carboxylic acid"	"OC(=O)c1c2ccccc2cc2c1cccc2"	"XGWFJBFNAQHLEF-UHFFFAOYSA-N"	"InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)"	""	""	""
"5567"	"9-hydroxyoctadecadienoic acid"	""	"Metabolite"	""	""	""	""	"178102204"	"5312830"	""	""	"CHEMBL1230670"	""	""	""	""	"(9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid"	""	"9(S)-HODE|9(S)-hydroxyoctadecadienoic acid|9-HODE"	"CCCCC/C=C\C=C\[C@H](CCCCCCCC(=O)O)O"	"NPDSHTNEKLQQIJ-UINYOVNOSA-N"	"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1"	""	""	""
"13240"	"9-hydroxystearic acid"	""	"Metabolite"	""	""	""	""	"491300022"	"9570127"	""	""	"CHEMBL1093742"	""	""	""	""	"9-hydroxyoctadecanoic acid"	""	"9-hydroxy-octadecanoic acid|9-Hydroxyoctadecanoic acid"	"CCCCCCCCCC(CCCCCCCC(=O)O)O"	"RKHXDCVAPIMDMG-UHFFFAOYSA-N"	"InChI=1S/C18H36O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)"	""	""	""
"6673"	"9-<i>cis</i>-retinal"	""	"Metabolite"	""	""	""	""	"178103285"	"6436082"	""	""	"CHEMBL257381"	""	""	""	""	"(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal"	""	"9-cis-retinal|9-cis-retinaldehyde"	"O=C/C=C(/C=C/C=C(\C=C\C1=C(C)CCCC1(C)C)/C)\C"	"NCYCYZXNIZJOKI-MKOSUFFBSA-N"	"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8-,17-13+"	""	""	""
"13956"	"9MW1411"	""	"Antibody"	""	""	""	""	"513757641"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"
"67"	"9-OH-risperidone"	""	"Synthetic organic"	""	""	""	""	"135649866"	"475100"	""	""	""	""	""	""	""	"3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]pyrimidin-4-one"	""	"9-hydroxy-risperidone"	"OC1CCc2n(C1)c(=O)c(c(n2)C)CCN1CCC(CC1)c1noc2c1ccc(c2)F"	"ABWPQNZPAOAQSG-UHFFFAOYSA-N"	"InChI=1S/C23H27FN4O3/c1-14-18(23(30)28-13-17(29)3-5-21(28)25-14)8-11-27-9-6-15(7-10-27)22-19-4-2-16(24)12-20(19)31-26-22/h2,4,12,15,17,29H,3,5-11,13H2,1H3"	""	""	""
"4114"	"9-phenanthrol"	""	"Synthetic organic"	""	""	""	""	"178100936"	"10229"	""	""	"CHEMBL2407182"	""	""	""	""	"phenanthren-9-ol"	""	""	"Oc1cc2ccccc2c2c1cccc2"	"DZKIUEHLEXLYKM-UHFFFAOYSA-N"	"InChI=1S/C14H10O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,15H"	""	""	""
"12776"	"A011"	""	"Synthetic organic"	""	""	""	""	"483123324"	"168355580"	""	""	""	""	""	""	""	"(R)-N,N-dimethyl-3-((5-(1-(1-phenylethyl)-1H-[1,2,3]triazolo[4,5-c]quinolin-8-yl)pyridin-2-yl)oxy)propan-1-amine"	""	"compound 8d [Zhang <i>et al</i>., 2023]"	"CN(CCCOC1=NC=C(C=C1)C2=CC=3C4=C(C=NC3C=C2)N=NN4[C@H](C)C5=CC=CC=C5)C"	"KAHMZYOZNYFPKN-LJQANCHMSA-N"	"InChI=1S/C27H28N6O/c1-19(20-8-5-4-6-9-20)33-27-23-16-21(10-12-24(23)28-18-25(27)30-31-33)22-11-13-26(29-17-22)34-15-7-14-32(2)3/h4-6,8-13,16-19H,7,14-15H2,1-3H3/t19-/m1/s1"	""	""	""
"13122"	"A101-(CONH2)-B322"	""	"Synthetic organic"	""	""	""	""	"491299904"	"168284044"	""	""	"CHEMBL5190289"	""	""	""	""	"N-[(2S)-3-amino-2-[(3-methylbenzoyl)amino]-3-oxopropyl]-1,4-dioxo-2,3-dihydrophthalazine-6-carboxamide"	""	""	"CC1=CC(=CC=C1)C(=O)N[C@@H](CNC(=O)C2=CC3=C(C=C2)C(=O)NNC3=O)C(N)=O"	"PUFUAFGCANGLMI-HNNXBMFYSA-N"	"InChI=1S/C20H19N5O5/c1-10-3-2-4-11(7-10)18(28)23-15(16(21)26)9-22-17(27)12-5-6-13-14(8-12)20(30)25-24-19(13)29/h2-8,15H,9H2,1H3,(H2,21,26)(H,22,27)(H,23,28)(H,24,29)(H,25,30)/t15-/m0/s1"	""	""	""
"8330"	"A(10-24)INSL3"	""	"Peptide"	""	""	""	""	"252166542"	"155817501"	""	""	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O"	"ORZUJWXQUJEDHD-VGYPRHCQSA-N"	"InChI=1S/C63H109N17O23S4/c1-26(2)15-35(54(93)72-38(18-29(7)8)58(97)79-49(31(10)83)62(101)75-37(17-28(5)6)56(95)78-43(25-107)63(102)103)71-57(96)39(19-47(87)88)74-53(92)33(11-13-44(65)84)69-52(91)34(12-14-45(66)85)70-61(100)48(30(9)82)80-60(99)41(23-105)68-46(86)20-67-51(90)40(21-81)76-55(94)36(16-27(3)4)73-59(98)42(24-106)77-50(89)32(64)22-104/h26-43,48-49,81-83,104-107H,11-25,64H2,1-10H3,(H2,65,84)(H2,66,85)(H,67,90)(H,68,86)(H,69,91)(H,70,100)(H,71,96)(H,72,93)(H,73,98)(H,74,92)(H,75,101)(H,76,94)(H,77,89)(H,78,95)(H,79,97)(H,80,99)(H,87,88)(H,102,103)/t30-,31-,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,48+,49+/m1/s1"	""	""	""
"8792"	"A1120"	""	"Synthetic organic"	""	""	""	""	"252827450"	"25138295"	""	""	"CHEMBL1230001"	""	""	""	""	"2-[[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]amino]benzoic acid"	""	"A 1120|compound 33 [PMID: 24835984]"	"O=C(N1CCC(CC1)c1ccccc1C(F)(F)F)Nc1ccccc1C(=O)O"	"MEAQCLPMSVEOQF-UHFFFAOYSA-N"	"InChI=1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27)"	""	""	""
"12757"	"A-1165442"	""	"Synthetic organic"	""	""	""	""	"483123305"	"46191567"	""	""	"CHEMBL3326588"	""	""	""	""	"1-[(4R)-7-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea"	""	"A1165442|compound 52 [PMID: 25100568]"	"ClC1=CC=C2[C@@H](CC(OC2=C1)(CF)CF)NC(=O)NC3=C4C=C(N=CC4=CC=C3)C"	"VJJGAJAUECQWSZ-LJQANCHMSA-N"	"InChI=1S/C22H20ClF2N3O2/c1-13-7-17-14(10-26-13)3-2-4-18(17)27-21(29)28-19-9-22(11-24,12-25)30-20-8-15(23)5-6-16(19)20/h2-8,10,19H,9,11-12H2,1H3,(H2,27,28,29)/t19-/m1/s1"	""	""	""
"490"	"A-119637"	""	"Synthetic organic"	""	""	""	""	"135649867"	"9890547"	""	""	"CHEMBL268758"	""	""	""	""	"3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1H-thieno[3,2-e]pyrimidine-2,4-dione"	""	"A 119637|A119637"	"COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1"	"HLVQBOYEHQRWHG-UHFFFAOYSA-N"	"InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)"	""	""	""
"491"	"A-123189"	""	"Synthetic organic"	""	""	""	""	"135649868"	"9891167"	""	""	"CHEMBL13856"	""	""	""	""	"3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-(3-methylphenyl)-1H-thieno[3,2-e]pyrimidine-2,4-dione"	""	"A 123189|A123189"	"COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C"	"PANBMHHKBRMYAL-UHFFFAOYSA-N"	"InChI=1S/C26H28N4O3S/c1-18-6-5-7-19(16-18)20-17-34-24-23(20)25(31)30(26(32)27-24)15-12-28-10-13-29(14-11-28)21-8-3-4-9-22(21)33-2/h3-9,16-17H,10-15H2,1-2H3,(H,27,32)"	""	""	""
"13181"	"A-1262543"	""	"Synthetic organic"	""	""	""	""	"491299963"	"71816200"	""	""	""	""	""	""	""	"N-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine"	""	"A1262543"	"N1=CC(=CC=C1)C2=C(C=CC(=C2)C(F)(F)F)NC=3NCCN3"	"JSFHZFONOQNFFD-UHFFFAOYSA-N"	"InChI=1S/C15H13F3N4/c16-15(17,18)11-3-4-13(22-14-20-6-7-21-14)12(8-11)10-2-1-5-19-9-10/h1-5,8-9H,6-7H2,(H2,20,21,22)"	""	""	""
"11102"	"A-1331852"	""	"Synthetic organic"	""	""	""	""	"434122163"	"71565985"	""	""	""	""	""	""	""	"3-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-2-carboxylic acid"	""	"A 1331852|A1331852"	"OC(=O)c1nc(ccc1c1cnn(c1C)CC12CC3CC(C2)CC(C1)C3)N1CCc2c(C1)c(ccc2)C(=O)Nc1nc2c(s1)cccc2"	"QCQQONWEDCOTBV-UHFFFAOYSA-N"	"InChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)"	""	""	""
"5130"	"A134974"	""	"Synthetic organic"	""	""	""	""	"178101822"	"9885936"	""	""	"CHEMBL1591918"	""	""	""	""	"(1S,2R,3S,5R)-3-amino-5-{4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclopentane-1,2-diol"	""	"A 134974|A-134974"	"N[C@H]1C[C@H]([C@@H]([C@@H]1O)O)n1cc(c2c1ncnc2N)I"	"NSXJHIFQIZKLGF-LWIVVEGESA-N"	"InChI=1S/C11H14IN5O2/c12-4-2-17(6-1-5(13)8(18)9(6)19)11-7(4)10(14)15-3-16-11/h2-3,5-6,8-9,18-19H,1,13H2,(H2,14,15,16)/t5-,6+,8+,9-/m0/s1"	""	""	""
"14153"	"A13:B7-24-GG"	""	"Peptide"	""	""	""	""	"518520780"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14516"	"A-182086"	""	"Synthetic organic"	""	""	""	""	"528429837"	"9916235"	""	""	"CHEMBL111277"	""	""	""	""	"(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxyphenyl)-1-[2-[pentylsulfonyl(propyl)amino]ethyl]pyrrolidine-3-carboxylic acid"	""	"A182086"	"CCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1C2=CC(=C(C=C2)OC)F)C(=O)O)C3=CC4=C(C=C3)OCO4"	"JVWVTPZZEHLARL-OFEZKSIWSA-N"	"InChI=1S/C29H39FN2O7S/c1-4-6-7-15-40(35,36)32(12-5-2)14-13-31-18-22(20-8-11-25-26(17-20)39-19-38-25)27(29(33)34)28(31)21-9-10-24(37-3)23(30)16-21/h8-11,16-17,22,27-28H,4-7,12-15,18-19H2,1-3H3,(H,33,34)/t22-,27-,28+/m1/s1"	""	""	""
"1009"	"A192621"	""	"Synthetic organic"	""	""	""	""	"135649870"	"5310991"	""	""	"CHEMBL332794"	""	""	""	""	"(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid"	""	"A 192621|A-192621"	"CCCOc1ccc(cc1)[C@@H]1N(CC(=O)Nc2c(CC)cccc2CC)C[C@@H]([C@H]1C(=O)O)c1ccc2c(c1)OCO2"	"LQEHCKYYIXQEBM-FUKIBTTHSA-N"	"InChI=1S/C33H38N2O6/c1-4-16-39-25-13-10-23(11-14-25)32-30(33(37)38)26(24-12-15-27-28(17-24)41-20-40-27)18-35(32)19-29(36)34-31-21(5-2)8-7-9-22(31)6-3/h7-15,17,26,30,32H,4-6,16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1"	""	""	""
"8949"	"A-196"	""	"Synthetic organic"	""	""	""	""	"310264730"	"117072548"	""	""	""	""	""	""	""	"6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine"	""	""	"Clc1cc2c(nnc(c2cc1Cl)NC1CCCC1)c1ccncc1"	"ABGOSOMRWSYAOB-UHFFFAOYSA-N"	"InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24)"	""	""	""
"8806"	"A1P"	""	"Synthetic organic"	""	""	""	""	"252827464"	"10241837"	""	""	"CHEMBL1099169"	""	""	""	""	"(2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid"	""	"compound 10 [PMID: 20441173]"	"OC(=O)[C@H](CCCn1ccnc1N)N"	"WGFGZNVQMGCHHV-LURJTMIESA-N"	"InChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-4-12-5-3-11-8(12)10/h3,5-6H,1-2,4,9H2,(H2,10,11)(H,13,14)/t6-/m0/s1"	""	""	""
"10846"	"A2315A"	""	"Synthetic organic"	""	""	""	""	"405560287"	"10368807"	""	""	""	""	""	""	""	""	""	""	"O=C1NC/C=C/C(=C/C(O)CC(O)Cc2nc(C(=O)NC(C(=O)OC(C(/C=C/1)C)C(C)C)C)co2)/C"	"SAQNYTQFLPVTNJ-JYXGQRMOSA-N"	"InChI=1S/C26H37N3O7/c1-15(2)24-17(4)8-9-22(32)27-10-6-7-16(3)11-19(30)12-20(31)13-23-29-21(14-35-23)25(33)28-18(5)26(34)36-24/h6-9,11,14-15,17-20,24,30-31H,10,12-13H2,1-5H3,(H,27,32)(H,28,33)/b7-6+,9-8+,16-11+"	""	""	"yes"
"6592"	"A286982"	""	"Synthetic organic"	""	""	""	""	"178103205"	"9846729"	""	""	"CHEMBL19677"	""	""	""	""	"(E)-1-(4-acetylpiperazin-1-yl)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one"	""	"A 286982|A-286982"	"O=C(N1CCN(CC1)C(=O)C)/C=C/c1ccc(c(c1)N(=O)=O)Sc1ccccc1C(C)C"	"HTGGAYLWTDOFDK-PKNBQFBNSA-N"	"InChI=1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+"	"yes"	""	""
"1717"	"A2P5P"	""	"Metabolite"	""	""	""	""	"135651419"	"440141"	""	""	"CHEMBL1161861"	""	""	""	""	"[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate"	""	"2,5-ADP|adenosine 2',5'-bisphosphate|adenosine-2'-5'-diphosphate"	"O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H]([C@@H]1OP(=O)(O)O)n1cnc2c1ncnc2N"	"AEOBEOJCBAYXBA-KQYNXXCUSA-N"	"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1"	""	""	""
"1258"	"A-304121"	""	"Synthetic organic"	""	""	""	""	"135649871"	"9906860"	""	""	"CHEMBL302196"	""	""	""	""	"(2R)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]propan-1-one"	""	"A 304121|A304121"	"C[C@H](C(=O)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1)N"	"KPXVCGPCRXEDLT-OAHLLOKOSA-N"	"InChI=1S/C20H29N3O3/c1-15(21)20(25)23-12-10-22(11-13-23)9-2-14-26-18-7-5-17(6-8-18)19(24)16-3-4-16/h5-8,15-16H,2-4,9-14,21H2,1H3/t15-/m1/s1"	""	""	""
"4115"	"A317491"	""	"Synthetic organic"	""	""	""	""	"178100937"	"9829395"	""	""	"CHEMBL596234"	""	""	""	""	"5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid"	""	"A 317491|A-317491"	"O=C(c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O)N([C@H]1CCCc2c1cccc2)Cc1cccc(c1)Oc1ccccc1"	"VQGBOYBIENNKMI-LJAQVGFWSA-N"	"InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1"	""	""	""
"4116"	"A-317567"	""	"Synthetic organic"	""	""	""	""	"178100938"	"10200844"	""	""	"CHEMBL185515"	""	""	""	""	"6-{2-[2-methyl-1-(propan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]cyclopropyl}naphthalene-2-carboximidamide"	""	"A 317567|A317567"	"NC(=N)c1ccc2c(c1)ccc(c2)C1CC1c1ccc2c(c1)C(C(C)C)N(CC2)C"	"FEPIUXBUJVISNN-UHFFFAOYSA-N"	"InChI=1S/C27H31N3/c1-16(2)26-25-14-21(7-4-17(25)10-11-30(26)3)24-15-23(24)20-8-5-19-13-22(27(28)29)9-6-18(19)12-20/h4-9,12-14,16,23-24,26H,10-11,15H2,1-3H3,(H3,28,29)"	""	""	""
"1216"	"A-317920"	""	"Synthetic organic"	""	""	""	""	"135649872"	"10389213"	""	""	"CHEMBL361355"	""	""	""	""	"N-[(2R)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide"	""	"A 317920|A317920"	"O=C([C@H](NC(=O)c1ccco1)C)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1"	"RTRADBQSZJIRMT-GOSISDBHSA-N"	"InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1"	""	""	""
"4023"	"A331440"	""	"Synthetic organic"	""	""	""	""	"178100849"	"9884746"	""	""	"CHEMBL319000"	""	""	""	""	"4-[4-[3-[(3R)-3-dimethylaminopyrrolidin-1-yl]propoxy]phenyl]benzonitrile"	""	"A 331440|A-331440"	"N#Cc1ccc(cc1)c1ccc(cc1)OCCCN1CC[C@H](C1)N(C)C"	"FXIPXWLVYIHFEP-OAQYLSRUSA-N"	"InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1"	""	""	""
"1217"	"A-349821"	""	"Synthetic organic"	""	""	""	""	"135649873"	"15608077"	""	""	""	""	""	""	""	"(1,5-diacetyloxy-3,4-dimethoxyhexan-2-yl) acetate"	""	"A 349821|A-349,821|A349821"	"CO[C@H]([C@H]([C@H](C(OC(=O)C)[2H])OC(=O)C)OC)[C@@H](OC(=O)C)C"	"QMLMVXJUHILWSZ-DKKHZOHASA-N"	"InChI=1S/C14H24O8/c1-8(21-10(3)16)13(18-5)14(19-6)12(22-11(4)17)7-20-9(2)15/h8,12-14H,7H2,1-6H3/t8-,12-,13-,14-/m0/s1/i7D/t7?,8-,12-,13-,14-"	""	""	""
"8238"	"A-366"	""	"Synthetic organic"	""	""	""	""	"249565918"	"76285486"	""	""	"CHEMBL3109630"	""	""	""	""	"5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indole]-2'-amine"	""	"A 366|A366"	"COc1cc2c(cc1OCCCN1CCCC1)N=C(C12CCC1)N"	"BKCDJTRMYWSXMC-UHFFFAOYSA-N"	"InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)"	""	""	""
"8441"	"A-381393"	""	"Synthetic organic"	""	""	""	""	"252166651"	"11301655"	""	""	"CHEMBL127257"	""	""	""	""	"2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole"	""	"A 381393|A-381,393"	"Cc1ccc(cc1C)N1CCN(CC1)Cc1nc2c([nH]1)cccc2"	"SAQMCVDGOIRQTC-UHFFFAOYSA-N"	"InChI=1S/C20H24N4/c1-15-7-8-17(13-16(15)2)24-11-9-23(10-12-24)14-20-21-18-5-3-4-6-19(18)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)"	""	""	""
"9525"	"A-395"	""	"Synthetic organic"	""	""	""	""	"336446911"	"123132213"	""	""	""	""	""	""	""	"(3R,4S)-1-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N-dimethyl-4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrrolidin-3-amine"	""	""	"CN([C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(=O)(=O)C)C1CCc2c1c(F)ccc2)C"	"REVJNSVNICWODC-KIDMSAQOSA-N"	"InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1"	""	""	""
"1719"	"A3P5PS"	""	"Metabolite"	""	""	""	""	"135651421"	"10214"	""	""	""	""	""	""	""	"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate"	""	"3'-phosphoadenosine-5'-phosphosulfate|adenosine-3'-phosphate-5' -phosphosulfate|phosphoadenosine phosphosulfate (PAPS)"	"O[C@@H]1[C@H](OP(=O)(O)O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(OS(=O)(=O)O)O"	"GACDQMDRPRGCTN-KQYNXXCUSA-N"	"InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1"	""	""	""
"13686"	"A3-PGRNC15*"	""	"Antibody"	""	""	""	""	"507750320"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3301"	"A412997"	""	"Synthetic organic"	""	""	""	""	"178100338"	"10425450"	""	""	"CHEMBL375596"	""	""	""	""	"N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide"	""	"A-412,997|A-412997"	"O=C(Nc1cccc(c1)C)CN1CCC(CC1)c1ccccn1"	"JFCDMGGMCUKHST-UHFFFAOYSA-N"	"InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)"	""	""	""
"8346"	"A(4-24)(B7-24)H2"	""	"Peptide"	""	""	""	""	"252166558"	"0"	""	""	""	"8347|8348"	"A(4-24)(B7-24)H2 chain A|A(4-24)(B7-24)H2 chain B"	"8347:no_UniProt_ID|8348:no_UniProt_ID"	"8347:no_ENS_ID|8348:no_ENS_ID"	""	""	"A(4-24)(B7-24)H2 relaxin"	""	""	""	""	""	""
"8347"	"A(4-24)(B7-24)H2 chain A"	""	"Peptide"	""	""	""	""	"252166559"	"0"	""	""	""	""	""	""	""	""	""	"A(4-24)H2 relaxin"	""	""	""	""	""	""
"8348"	"A(4-24)(B7-24)H2 chain B"	""	"Peptide"	""	""	""	""	"252166560"	"0"	""	""	""	""	""	""	""	""	""	"(B7-24)H2 relaxin"	""	""	""	""	""	""
"8349"	"A(4-24)(F23A)H2"	""	"Peptide"	""	""	""	""	"252166561"	"134813895"	""	""	""	""	""	""	""	""	""	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CS)C)CCCN=C(N)N)C)CC(C)C)CO)CCCN=C(N)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)C)CC(C)C)C)CC(=O)N)CCCCN)CS)CS)Cc1nc[nH]c1)CS"	"JPICFXXNKSFHNE-FHWINVSDSA-N"	"InChI=1S/C87H154N32O26S4/c1-39(2)26-53(110-67(126)42(7)101-70(129)48(90)32-120)75(134)104-44(9)68(127)111-56(29-62(91)123)77(136)108-49(18-12-14-22-88)74(133)115-60(36-148)81(140)116-59(35-147)80(139)113-55(28-47-30-96-38-100-47)78(137)118-64(41(5)6)83(142)99-31-63(124)105-58(34-146)82(141)119-65(46(11)122)84(143)109-50(19-13-15-23-89)72(131)107-52(21-17-25-98-87(94)95)73(132)114-57(33-121)79(138)112-54(27-40(3)4)76(135)103-43(8)66(125)106-51(20-16-24-97-86(92)93)71(130)102-45(10)69(128)117-61(37-149)85(144)145/h30,38-46,48-61,64-65,120-122,146-149H,12-29,31-37,88-90H2,1-11H3,(H2,91,123)(H,96,100)(H,99,142)(H,101,129)(H,102,130)(H,103,135)(H,104,134)(H,105,124)(H,106,125)(H,107,131)(H,108,136)(H,109,143)(H,110,126)(H,111,127)(H,112,138)(H,113,139)(H,114,132)(H,115,133)(H,116,140)(H,117,128)(H,118,137)(H,119,141)(H,144,145)(H4,92,93,97)(H4,94,95,98)/t42-,43-,44-,45-,46+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1"	""	""	""
"4117"	"A425619"	""	"Synthetic organic"	""	""	""	""	"178100939"	"8068410"	""	""	"CHEMBL104028"	""	""	""	""	"3-(isoquinolin-5-yl)-1-{[4-(trifluoromethyl)phenyl]methyl}urea"	""	"A 425619|A-425619"	"O=C(Nc1cccc2c1ccnc2)NCc1ccc(cc1)C(F)(F)F"	"SJGVXVZUSQLLJB-UHFFFAOYSA-N"	"InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)"	""	""	""
"4118"	"A438079"	""	"Synthetic organic"	""	""	""	""	"178100940"	"11673921"	""	""	"CHEMBL377219"	""	""	""	""	"3-{[5-(2,3-dichlorophenyl)-1H-1,2,3,4-tetrazol-1-yl]methyl}pyridine"	""	"A 438079|A-438079"	"Clc1c(Cl)cccc1c1nnnn1Cc1cccnc1"	"MMPAULQSJLVKHP-UHFFFAOYSA-N"	"InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2"	"yes"	""	""
"14531"	"A515"	""	"Synthetic organic"	""	""	""	""	"528429852"	"139546285"	""	""	"CHEMBL5572273"	""	""	""	""	"(2S,4R)-1-[(2R)-2-[3-[2-[(3R)-4-[2-[[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridinyl]oxy]ethyl]-3-methylpiperazin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide"	""	"compound 15 [PMID: 38180485]|PD216595"	"S1C=NC(C)=C1C=2C=CC([C@H](C)NC([C@H]3N(C(=O)[C@H](C(C)C)C=4ON=C(OCCN5CCN(CCOC=6N=CC=C(N7C8CCC7CN(C9=C(N)N=NC(C=%10C(O)=CC=CC%10)=C9)C8)C6)[C@H](C)C5)C4)C[C@H](O)C3)=O)=CC2"	"RLQXXYROWQGBLA-UYJMYZDASA-N"	"InChI=1S/C55H68N12O7S/c1-33(2)51(55(71)66-31-42(68)25-46(66)54(70)59-35(4)37-10-12-38(13-11-37)52-36(5)58-32-75-52)48-27-50(62-74-48)73-22-20-63-18-19-64(34(3)28-63)21-23-72-49-24-39(16-17-57-49)67-40-14-15-41(67)30-65(29-40)45-26-44(60-61-53(45)56)43-8-6-7-9-47(43)69/h6-13,16-17,24,26-27,32-35,40-42,46,51,68-69H,14-15,18-23,25,28-31H2,1-5H3,(H2,56,61)(H,59,70)/t34-,35+,40?,41?,42-,46+,51-/m1/s1"	""	""	""
"3995"	"A-582941"	""	"Synthetic organic"	""	""	""	""	"178100821"	"11173546"	""	""	"CHEMBL2151443"	""	""	""	""	"3-{5-methyl-octahydropyrrolo[3,4-c]pyrrol-2-yl}-6-phenylpyridazine"	""	"A 582941|A582941"	"CN1CC2C(C1)CN(C2)c1ccc(nn1)c1ccccc1"	"GTMRUYCIJSNXGB-UHFFFAOYSA-N"	"InChI=1S/C17H20N4/c1-20-9-14-11-21(12-15(14)10-20)17-8-7-16(18-19-17)13-5-3-2-4-6-13/h2-8,14-15H,9-12H2,1H3"	""	""	""
"480"	"A61603"	""	"Synthetic organic"	""	""	""	""	"135649874"	"4038180"	""	""	"CHEMBL109783"	""	""	""	""	"N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide"	""	"A 61603|A-61603"	"Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1"	"OQFCXJDXHCDLHX-UHFFFAOYSA-N"	"InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)"	""	""	""
"5655"	"A-674563"	""	"Synthetic organic"	""	""	""	""	"178102283"	"11314340"	""	""	"CHEMBL379218"	""	""	""	""	"5-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-3-methyl-1H-indazole"	""	"A 674563|A674563"	"N[C@@H](Cc1ccccc1)COc1cncc(c1)c1ccc2c(c1)c(C)n[nH]2"	"BPNUQXPIQBZCMR-IBGZPJMESA-N"	"InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1"	""	""	""
"6077"	"A68930"	""	"Synthetic organic"	""	""	""	""	"178102698"	"122324"	""	""	"CHEMBL86931"	""	""	""	""	"(1R,3S)-1-(aminomethyl)-3-phenylisochroman-5,6-diol"	""	"A 68930|A 70108|A 70360|A-68930|A-70108|A-70360|A70108|A70360"	"NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1"	"SUHGRZPINGKYNV-GJZGRUSLSA-N"	"InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14-,15-/m0/s1"	""	""	""
"894"	"A-71378"	""	"Peptide"	""	""	""	""	"135651963"	"5489450"	""	""	""	""	""	""	""	"(3S)-4-[[(2R)-1-[2-[[(2S)-2-[[1H-indol-3-ylmethyl-[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]acetyl]carbamoyl]amino]hexanoyl]carbamoyl]phenyl]propan-2-yl]amino]-3-methylamino-4-oxobutanoic acid"	""	"A 71378|A71378"	"CCCC[C@@H](C(=O)NC(=O)c1ccccc1C[C@H](NC(=O)[C@H](CC(=O)O)NC)C)NC(=O)N(C(=O)CNC(=O)[C@@H](NC(=O)CCc1ccc(cc1)OS(=O)(=O)O)CCCC)Cc1c[nH]c2c1cccc2"	"DLOJBPLQFCFYKX-QQYYTUMTSA-N"	"InChI=1S/C48H62N8O13S/c1-5-7-16-38(53-41(57)24-21-31-19-22-34(23-20-31)69-70(66,67)68)45(62)51-28-42(58)56(29-33-27-50-37-18-12-11-14-35(33)37)48(65)54-39(17-8-6-2)46(63)55-44(61)36-15-10-9-13-32(36)25-30(3)52-47(64)40(49-4)26-43(59)60/h9-15,18-20,22-23,27,30,38-40,49-50H,5-8,16-17,21,24-26,28-29H2,1-4H3,(H,51,62)(H,52,64)(H,53,57)(H,54,65)(H,59,60)(H,55,61,63)(H,66,67,68)/t30-,38+,39+,40+/m1/s1"	""	""	""
"858"	"A-71623"	""	"Peptide"	""	""	""	""	"135651964"	"121964"	""	""	"CHEMBL323521"	""	""	""	""	"(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-6-[(2-methylphenyl)carbamoylamino]hexanoyl]amino]-4-oxobutanoic acid"	""	"A 71623|A71623|L-phenylalaninamide"	"OC(=O)C[C@@H](C(=O)N([C@H](C(=O)N)Cc1ccccc1)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C)CCCCNC(=O)Nc1ccccc1C"	"KNHCBYMGWWTGSO-ZYADHFCISA-N"	"InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(39(56)49-35(25-37(53)54)41(58)52(5)36(38(45)55)23-28-16-7-6-8-17-28)48-40(57)34(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t33-,34-,35-,36-/m0/s1"	""	""	""
"4856"	"A-71915"	""	"Peptide"	""	""	""	""	"178101557"	"0"	""	""	""	""	""	""	""	""	""	"A 71915|A71915|H-3048"	""	""	""	""	""	""
"4119"	"A740003"	""	"Synthetic organic"	""	""	""	""	"178100941"	"23232014"	""	""	"CHEMBL255787"	""	""	""	""	"N-{1-[(E)-[(cyanoamino)[(quinolin-5-yl)amino]methylidene]amino]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide"	""	"A 740003|A-740003"	"N#CN/C(=N/C(C(C)(C)C)NC(=O)Cc1ccc(c(c1)OC)OC)/Nc1cccc2c1cccn2"	"PUHSRMSFDASMAE-UHFFFAOYSA-N"	"InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)"	""	""	""
"10069"	"A-769662"	""	"Synthetic organic"	""	""	""	""	"375973256"	"54708532"	""	""	"CHEMBL512504"	""	""	""	""	"4-hydroxy-3-[4-(2-hydroxyphenyl)phenyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile"	""	"A769662"	"N#Cc1c(=O)[nH]c2c(c1O)c(cs2)c1ccc(cc1)c1ccccc1O"	"CTESJDQKVOEUOY-UHFFFAOYSA-N"	"InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)"	""	""	""
"9637"	"A77636"	""	"Synthetic organic"	""	""	""	""	"340590267"	"6603703"	""	""	""	""	""	""	""	"(1R,3S)-3-(1-adamantyl)-1-(aminomethyl)isochroman-5,6-diol"	""	"A-77636"	"NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3"	"QLJOSZATCBCBDR-DFKUFRTHSA-N"	"InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11?,12?,13?,17-,18-,20?/m0/s1"	""	""	""
"4120"	"A778317"	""	"Synthetic organic"	""	""	""	""	"178100942"	"17757384"	""	""	"CHEMBL1628687"	""	""	""	""	"1-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-isoquinolin-5-ylurea"	""	"A 778317|A-778317"	"O=C(Nc1cccc2c1ccnc2)N[C@@H]1CCc2c1ccc(c2)C(C)(C)C"	"VPSCJCQPUGKRNC-OAQYLSRUSA-N"	"InChI=1S/C23H25N3O/c1-23(2,3)17-8-9-18-15(13-17)7-10-21(18)26-22(27)25-20-6-4-5-16-14-24-12-11-19(16)20/h4-6,8-9,11-14,21H,7,10H2,1-3H3,(H2,25,26,27)/t21-/m1/s1"	""	""	""
"6354"	"A-794278"	""	"Synthetic organic"	""	""	""	""	"178102972"	"11537456"	""	""	"CHEMBL225032"	""	""	""	""	"5-cycloheptyl-13-(dimethylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one"	""	"A 794278|A794278|compound 1ac [PMID: 16279797]"	"CN(c1ccnc2c1c1ncn(c(=O)c1s2)C1CCCCCC1)C"	"WOADNNTWYZOWNV-UHFFFAOYSA-N"	"InChI=1S/C18H22N4OS/c1-21(2)13-9-10-19-17-14(13)15-16(24-17)18(23)22(11-20-15)12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3"	""	""	""
"6211"	"A-794282"	""	"Synthetic organic"	""	""	""	""	"178102832"	"11530404"	""	""	"CHEMBL385336"	""	""	""	""	"13-(dimethylamino)-5-(4-ethylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one"	""	"A 794282|A794282|compound 1n [PMID: 16279797]"	"CCc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ccn1)N(C)C"	"VCUKKMIXURRDKL-UHFFFAOYSA-N"	"InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3"	""	""	""
"5734"	"A-803467"	""	"Synthetic organic"	""	""	""	""	"178102360"	"16038374"	""	""	"CHEMBL250699"	""	""	""	""	"5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide"	""	"A 803467|A803467"	"COc1cc(cc(c1)OC)NC(=O)c1ccc(o1)c1ccc(cc1)Cl"	"VHKBTPQDHDSBSP-UHFFFAOYSA-N"	"InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)"	""	""	""
"4121"	"A804598"	""	"Synthetic organic"	""	""	""	""	"178100943"	"53325874"	""	""	"CHEMBL1628690"	""	""	""	""	"1-cyano-2-[(1S)-1-phenylethyl]-3-(quinolin-5-yl)guanidine"	""	"A 804598|A-804598"	"N#CNC(=N[C@H](c1ccccc1)C)Nc1cccc2c1cccn2"	"PQYCRDPLPKGSME-AWEZNQCLSA-N"	"InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1"	""	""	""
"4122"	"A839977"	""	"Synthetic organic"	""	""	""	""	"178100944"	"53325875"	""	""	"CHEMBL1628691"	""	""	""	""	"1-(2,3-dichlorophenyl)-N-{[2-(pyridin-2-yloxy)phenyl]methyl}-1H-1,2,3,4-tetrazol-5-amine"	""	"A 839977|A-839977"	"Clc1cccc(c1Cl)n1nnnc1NCc1ccccc1Oc1ccccn1"	"GMVNBKZQJFRFAR-UHFFFAOYSA-N"	"InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)"	""	""	""
"3953"	"A-841720"	""	"Synthetic organic"	""	""	""	""	"178100780"	"11559235"	""	""	"CHEMBL386565"	""	""	""	""	"3-(azepan-1-yl)-9-(dimethylamino)pyrido[1,2]thieno[3,4-d]pyrimidin-4-one"	""	"A 841720|A841720"	"CN(c1ccnc2c1c1ncn(c(=O)c1s2)N1CCCCCC1)C"	"GYWGXEGOXODOQU-UHFFFAOYSA-N"	"InChI=1S/C17H21N5OS/c1-20(2)12-7-8-18-16-13(12)14-15(24-16)17(23)22(11-19-14)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3"	""	""	""
"6355"	"A-850002"	""	"Synthetic organic"	""	""	""	""	"178102973"	"11515548"	""	""	"CHEMBL223869"	""	""	""	""	"13-(dimethylamino)-5-(4-methylphenyl)-8-thia-3,5,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one"	""	"A 850002|A850002|compound 28b [PMID: 16279797]"	"Cc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(cnc1)N(C)C"	"LPWKFUVWWQYLOD-UHFFFAOYSA-N"	"InChI=1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-10-20-16-15-13(21(2)3)8-19-9-14(15)24-17(16)18(22)23/h4-10H,1-3H3"	""	""	""
"5460"	"A-85380"	""	"Synthetic organic"	""	""	""	""	"178102110"	"5310969"	""	""	"CHEMBL59986"	""	""	""	""	"3-[(2S)-azetidin-2-ylmethoxy]pyridine"	""	"A 85380|A85380"	"C1C[C@H](N1)COc1cccnc1"	"XKFMBGWHHBCWCD-QMMMGPOBSA-N"	"InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1"	""	""	""
"3986"	"A-867744"	""	"Synthetic organic"	""	""	""	""	"178100812"	"23642319"	""	""	"CHEMBL490153"	""	""	""	""	"4-[5-(4-chlorophenyl)-2-methyl-3-propanoyl-1H-pyrrol-1-yl]benzene-1-sulfonamide"	""	"A 867744|A867744"	"CCC(=O)c1cc(n(c1C)c1ccc(cc1)S(=O)(=O)N)c1ccc(cc1)Cl"	"ABACVOXFUHDKNZ-UHFFFAOYSA-N"	"InChI=1S/C20H19ClN2O3S/c1-3-20(24)18-12-19(14-4-6-15(21)7-5-14)23(13(18)2)16-8-10-17(11-9-16)27(22,25)26/h4-12H,3H2,1-2H3,(H2,22,25,26)"	""	""	""
"14017"	"A-887826"	""	"Synthetic organic"	""	""	""	""	"518520644"	"46919335"	""	""	"CHEMBL4303253"	""	""	""	""	"5-(4-butoxy-3-chlorophenyl)-N-[(2-morpholin-4-ylpyridin-3-yl)methyl]pyridine-3-carboxamide"	""	"A887826"	"CCCCOC1=C(C=C(C=C1)C2=CC(=CN=C2)C(=O)NCC3=C(N=CC=C3)N4CCOCC4)Cl"	"JPJGFWKHSMUKFO-UHFFFAOYSA-N"	"InChI=1S/C26H29ClN4O3/c1-2-3-11-34-24-7-6-19(15-23(24)27)21-14-22(17-28-16-21)26(32)30-18-20-5-4-8-29-25(20)31-9-12-33-13-10-31/h4-8,14-17H,2-3,9-13,18H2,1H3,(H,30,32)"	""	""	""
"5780"	"A8<sup>&Delta;71-73</sup>"	""	"Peptide"	""	""	""	""	"178102405"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10669"	"A-908292"	""	"Synthetic organic"	""	""	""	""	"404859116"	"11681998"	""	""	""	""	""	""	""	"methyl N-[(2S)-4-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]but-3-yn-2-yl]carbamate"	""	""	"COC(=O)N[C@H](C#Cc1cnc(s1)Oc1ccc(cc1)OC(C)C)C"	"OLMPAYQFDVALIH-ZDUSSCGKSA-N"	"InChI=1S/C18H20N2O4S/c1-12(2)23-14-6-8-15(9-7-14)24-18-19-11-16(25-18)10-5-13(3)20-17(21)22-4/h6-9,11-13H,1-4H3,(H,20,21)/t13-/m0/s1"	""	""	""
"13579"	"A-910"	""	"Synthetic organic"	""	""	""	""	"504705398"	"171524864"	""	""	""	""	""	""	""	"6-Amino-N-[(1S,2S)-2-({4-[(5S)-5-{4-[(2S)-2,3-dihydroxypropyl]piperazin-1-yl}-5,6,7,8-tetrahydronaphthalen-2-yl]phenyl}methoxy)cyclopentyl]-2′-fluoro[3,3′-bipyridine]-5-carboxamide"	""	"A910|compound 49 [PMID: 39283694]"	"O=C(N[C@H]1CCC[C@@H]1OCC2=CC=C(C3=CC4=C([C@H](CCC4)N5CCN(C[C@@H](CO)O)CC5)C=C3)C=C2)C6=C(N)N=CC(C7=CC=CN=C7F)=C6"	"LYOFWWMIRHDSLV-AKQLPAHTSA-N"	"InChI=1S/C40H47FN6O4/c41-38-33(5-3-15-43-38)30-21-34(39(42)44-22-30)40(50)45-35-6-2-8-37(35)51-25-26-9-11-27(12-10-26)28-13-14-32-29(20-28)4-1-7-36(32)47-18-16-46(17-19-47)23-31(49)24-48/h3,5,9-15,20-22,31,35-37,48-49H,1-2,4,6-8,16-19,23-25H2,(H2,42,44)(H,45,50)/t31-,35-,36-,37-/m0/s1"	""	""	""
"8329"	"A(9-26)INSL3"	""	"Peptide"	""	""	""	""	"252166541"	"134813893"	""	""	""	""	""	""	""	""	""	""	"SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CS)CC(C)C)[C@H](O)C)CC(C)C)CC(C)C)CC(=O)O)CCC(=O)N)CCC(=O)N)[C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CS)CS)CC(C)C)CO"	"HHIHBEIJOBMKLZ-XYUOUADWSA-N"	"InChI=1S/C86H134N20O28S4/c1-39(2)26-52(74(121)95-55(29-42(7)8)78(125)104-69(44(10)109)84(131)98-54(28-41(5)6)76(123)103-62(38-138)85(132)106-25-11-12-63(106)82(129)99-57(86(133)134)31-46-15-19-48(111)20-16-46)94-77(124)56(32-67(115)116)97-73(120)50(21-23-64(88)112)92-72(119)51(22-24-65(89)113)93-83(130)68(43(9)108)105-81(128)59(35-135)91-66(114)33-90-71(118)58(34-107)100-75(122)53(27-40(3)4)96-79(126)61(37-137)102-80(127)60(36-136)101-70(117)49(87)30-45-13-17-47(110)18-14-45/h13-20,39-44,49-63,68-69,107-111,135-138H,11-12,21-38,87H2,1-10H3,(H2,88,112)(H2,89,113)(H,90,118)(H,91,114)(H,92,119)(H,93,130)(H,94,124)(H,95,121)(H,96,126)(H,97,120)(H,98,131)(H,99,129)(H,100,122)(H,101,117)(H,102,127)(H,103,123)(H,104,125)(H,105,128)(H,115,116)(H,133,134)/t43-,44-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,68+,69+/m1/s1"	""	""	""
"7661"	"A-935142"	""	"Synthetic organic"	""	""	""	""	"223365996"	"25125452"	""	""	""	""	""	""	""	"2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid"	""	"A 935142|A935142"	"OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1cc([nH]n1)C(F)(F)F"	"YPHFQSYEKIEMNC-HAQNSBGRSA-N"	"InChI=1S/C18H19F3N2O2/c19-18(20,21)16-10-15(22-23-16)14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-17(24)25/h5-8,10-12H,1-4,9H2,(H,22,23)(H,24,25)/t11-,12-"	""	""	""
"12308"	"A947"	""	"Synthetic organic"	""	""	""	""	"479821099"	"139546336"	""	""	""	""	""	""	""	"(2S,4R)-1-[(2R)-2-[3-[4-[[4-[3-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide"	""	""	"Cc1c(scn1)c1ccc(cc1)[C@H](C)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](c1cc(no1)N1CCC(CC1)CN1CCC(CC1)OC1CC(C1)Oc1nccc(c1)N1C2CCC1CN(C2)c1cc(nnc1N)c1ccccc1O)C(C)C)O"	"QQVCUSPUMMUFTD-NCXNEFEISA-N"	"InChI=1S/C61H76N12O7S/c1-36(2)57(61(77)72-34-45(74)26-52(72)60(76)65-37(3)40-9-11-41(12-10-40)58-38(4)64-35-81-58)54-30-55(68-80-54)70-23-16-39(17-24-70)31-69-21-18-46(19-22-69)78-47-27-48(28-47)79-56-25-42(15-20-63-56)73-43-13-14-44(73)33-71(32-43)51-29-50(66-67-59(51)62)49-7-5-6-8-53(49)75/h5-12,15,20,25,29-30,35-37,39,43-48,52,57,74-75H,13-14,16-19,21-24,26-28,31-34H2,1-4H3,(H2,62,67)(H,65,76)/t37-,43?,44?,45+,47?,48?,52-,57+/m0/s1"	""	""	""
"6280"	"A-967079"	""	"Synthetic organic"	""	""	""	""	"178102900"	"42641861"	""	""	""	""	""	""	""	"(NE)-N-[(E)-1-(4-fluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine"	""	"A 967079|A967079"	"CC/C(=N\O)/C(=C/c1ccc(cc1)F)/C"	"HKROEBDHHKMNBZ-CHBKHGQFSA-N"	"InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12+"	""	""	""
"9496"	"A-971432"	""	"Synthetic organic"	""	""	""	""	"329968436"	"46872626"	""	""	""	""	""	""	""	"1-({4-[(3,4-dichlorophenyl)methoxy]phenyl}methyl)azetidine-3-carboxylic acid"	""	""	"OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl"	"WAAWETUDFSIYSD-UHFFFAOYSA-N"	"InChI=1S/C18H17Cl2NO3/c19-16-6-3-13(7-17(16)20)11-24-15-4-1-12(2-5-15)8-21-9-14(10-21)18(22)23/h1-7,14H,8-11H2,(H,22,23)"	""	""	""
"8289"	"AAE-M-PBP-amine"	""	"Synthetic organic"	""	""	""	""	"252166501"	"24763223"	""	""	"CHEMBL3260987"	""	""	""	""	"N-[2-[methyl-[3-(4-phenylbutoxy)phenyl]amino]ethyl]acetamide"	""	"acetylaminoethyl-methyl-phenylbutoxyphenyl-amine"	"CC(=O)NCCN(c1cccc(c1)OCCCCc1ccccc1)C"	"VJIVACBGAAEDPS-UHFFFAOYSA-N"	"InChI=1S/C21H28N2O2/c1-18(24)22-14-15-23(2)20-12-8-13-21(17-20)25-16-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,12-13,17H,6-7,11,14-16H2,1-2H3,(H,22,24)"	""	""	""
"13659"	"AB-343"	""	"Synthetic organic"	""	""	""	""	"507750293"	"172879830"	""	""	""	""	""	""	""	"(1S,3S,4S)-N-[(2S)-1-azanylidene-3-[(3S)-5,5-dimethyl-2-oxidanylidene-pyrrolidin-3-yl]propan-2-yl]-2-[(2R)-3-cyclobutyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]-5,5-bis(fluoranyl)-2-azabicyclo[2.2.2]octane-3-carboxamide"	""	""	"N=C[C@H](C[C@@H]1C(NC(C1)(C)C)=O)NC(=O)[C@H]2N([C@@H]3CC([C@H]2CC3)(F)F)C([C@@H](CC4CCC4)NC(C(F)(F)F)=O)=O"	"KLQWCIBSZOJHLB-VIUKOLAESA-N"	"InChI=1S/C26H36F5N5O4/c1-24(2)10-14(20(37)35-24)9-15(12-32)33-21(38)19-17-7-6-16(11-25(17,27)28)36(19)22(39)18(8-13-4-3-5-13)34-23(40)26(29,30)31/h12-19,32H,3-11H2,1-2H3,(H,33,38)(H,34,40)(H,35,37)/t14-,15-,16-,17-,18+,19-/m0/s1"	""	""	""
"14326"	"AB-5'F-BUTINACA"	""	"Synthetic organic"	""	""	""	""	"523352118"	"177924585"	""	""	""	""	""	""	""	"N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-butyl-1H-indazole-3-carboxamide"	""	""	"CC(C)C(NC(=O)C1=NN(CCCC)C2=CC=C(F)C=C12)C(=O)N"	"INFPTRNVDSIRRH-UHFFFAOYSA-N"	"InChI=1S/C17H23FN4O2/c1-4-5-8-22-13-7-6-11(18)9-12(13)15(21-22)17(24)20-14(10(2)3)16(19)23/h6-7,9-10,14H,4-5,8H2,1-3H3,(H2,19,23)(H,20,24)"	""	""	""
"11154"	"AB928"	""	"Synthetic organic"	""	""	""	""	"434122214"	"135242184"	""	""	""	""	""	""	""	"3-[2-amino-6-[1-[[6-(2-hydroxypropan-2-yl)pyridin-2-yl]methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile"	""	"AB-928"	"N#Cc1cccc(c1C)c1nc(N)nc(c1)c1nnn(c1)Cc1cccc(n1)C(O)(C)C"	"BUXIAWLTBSXYSW-UHFFFAOYSA-N"	"InChI=1S/C23H22N8O/c1-14-15(11-24)6-4-8-17(14)18-10-19(28-22(25)27-18)20-13-31(30-29-20)12-16-7-5-9-21(26-16)23(2,3)32/h4-10,13,32H,12H2,1-3H3,(H2,25,27,28)"	"yes"	""	""
"11152"	"abacavir"	""	"Synthetic organic"	"yes"	""	""	""	"434122212"	"441300"	""	""	"CHEMBL1380"	""	""	""	""	"[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1-cyclopent-2-enyl]methanol"	"abacavir"	"1592U89|ABC|Ziagen&reg;"	"OC[C@@H]1C=C[C@@H](C1)n1cnc2c1nc(N)nc2NC1CC1"	"MCGSCOLBFJQGHM-SCZZXKLOSA-N"	"InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1"	""	""	""
"8265"	"abagovomab"	""	"Antibody"	""	""	""	""	"252166477"	"0"	""	""	""	""	""	""	""	""	"abagovomab"	"ACA125|MEN-2234"	""	""	""	""	""	""
"8299"	"abaloparatide"	""	"Peptide"	"yes"	""	""	""	"252166511"	"0"	""	""	""	""	""	""	""	""	"abaloparatide"	"BA058|Tymlos&reg;"	""	""	""	""	""	""
"1188"	"abarelix"	""	"Peptide"	"yes"	""	""	""	"135651965"	"16131215"	""	""	"CHEMBL1252"	""	""	""	""	""	"abarelix"	"Plenaxis&reg;|PPI 149|R 3827"	"OC[C@@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N)C)CCCCNC(C)C)CC(C)C)CC(=O)N)Cc1ccc(cc1)O)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1"	"AIWRTTMUVOZGPW-HSPKUQOVSA-N"	"InChI=1S/C72H95ClN14O14/c1-41(2)32-54(64(93)80-53(17-10-11-30-77-42(3)4)72(101)87-31-13-18-60(87)69(98)78-43(5)63(75)92)81-68(97)58(38-62(74)91)84-70(99)61(37-46-22-27-52(90)28-23-46)86(7)71(100)59(40-88)85-67(96)57(36-48-14-12-29-76-39-48)83-66(95)56(34-45-20-25-51(73)26-21-45)82-65(94)55(79-44(6)89)35-47-19-24-49-15-8-9-16-50(49)33-47/h8-9,12,14-16,19-29,33,39,41-43,53-61,77,88,90H,10-11,13,17-18,30-32,34-38,40H2,1-7H3,(H2,74,91)(H2,75,92)(H,78,98)(H,79,89)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,99)(H,85,96)/t43-,53+,54+,55-,56-,57-,58-,59+,60+,61+/m1/s1"	""	""	""
"6891"	"abatacept"	""	"Peptide"	"yes"	""	""	""	"178103473"	"0"	""	""	"CHEMBL1201823"	""	""	""	""	""	"abatacept"	"BMS-188667|CTLA4-IgG4m|Orencia&reg;|RG-1046|RG-2077"	""	""	""	"yes"	""	""
"5871"	"Abbott 14c"	""	"Synthetic organic"	""	""	""	""	"178102495"	"11441554"	""	""	"CHEMBL212761"	""	""	""	""	"1-tert-butyl-3-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]urea"	""	"2,4-diaminopyrimidine-based antagonist, 14c"	"O=C(NC(C)(C)C)Nc1ccc(cc1)c1c(N)nc(nc1COCc1ccccc1)N"	"MLBYOWASRACYDH-UHFFFAOYSA-N"	"InChI=1S/C23H28N6O2/c1-23(2,3)29-22(30)26-17-11-9-16(10-12-17)19-18(27-21(25)28-20(19)24)14-31-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H2,26,29,30)(H4,24,25,27,28)"	""	""	""
"12918"	"ABBV-154"	""	"Antibody"	""	""	""	""	"485206039"	"0"	""	""	""	""	""	""	""	""	""	"ADC11"	""	""	""	""	""	""
"12002"	"ABBV-318"	""	"Synthetic organic"	""	""	""	""	"464244143"	"118273623"	""	""	"CHEMBL3970885"	""	""	""	""	"[(3R)-3-fluoropyrrolidin-1-yl]-[6-[5-(trifluoromethyl)pyridin-2-yl]oxyquinolin-2-yl]methanone"	""	"ABBV318|compound 73 [PMID: 35436748]"	"F[C@H]1CN(CC1)C(=O)c1nc2ccc(cc2cc1)Oc1ncc(cc1)C(F)(F)F"	"FWLFRXVPNVBXGR-CQSZACIVSA-N"	"InChI=1S/C20H15F4N3O2/c21-14-7-8-27(11-14)19(28)17-4-1-12-9-15(3-5-16(12)26-17)29-18-6-2-13(10-25-18)20(22,23)24/h1-6,9-10,14H,7-8,11H2/t14-/m1/s1"	""	""	""
"10577"	"ABBV-3221"	""	"Synthetic organic"	""	""	""	""	"404859024"	"139443340"	""	""	""	""	""	""	""	"(2S,3R,4S,5S)-3-tert-Butyl-4-{[2-methoxy-5-(trifluoromethyl)pyridin-3-yl]methoxy}-5-(2-methylphenyl)-1-[(2S)-oxane-2-carbonyl]pyrrolidine-2-carboxylic acid"	""	"ABBV/GLPG-3221|compound 19 [PMID: 31749908]"	"COc1ncc(cc1CO[C@@H]1[C@@H](N([C@@H]([C@H]1C(C)(C)C)C(=O)O)C(=O)[C@@H]1CCCCO1)c1ccccc1C)C(F)(F)F"	"YFEYDNAKCSOOOG-YCXOGWGTSA-N"	"InChI=1S/C30H37F3N2O6/c1-17-10-6-7-11-20(17)23-25(41-16-18-14-19(30(31,32)33)15-34-26(18)39-5)22(29(2,3)4)24(28(37)38)35(23)27(36)21-12-8-9-13-40-21/h6-7,10-11,14-15,21-25H,8-9,12-13,16H2,1-5H3,(H,37,38)/t21-,22+,23-,24-,25-/m0/s1"	""	""	""
"12917"	"ABBV-3373"	""	"Antibody"	""	""	""	""	"485206038"	"0"	""	""	""	""	""	""	""	""	""	"ADC 122"	""	""	""	"yes"	""	""
"10730"	"ABBV-744"	""	"Synthetic organic"	""	""	""	""	"405067323"	"132010322"	""	""	"CHEMBL4297454"	""	""	""	""	"N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide"	""	"ABBV 744|ABBV744"	"CCNC(=O)c1cc2c([nH]1)c(=O)n(cc2c1cc(ccc1Oc1c(C)cc(cc1C)F)C(O)(C)C)C"	"OEDSFMUSNZDJFD-UHFFFAOYSA-N"	"InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)"	""	""	""
"11968"	"ABBV-CLS-484"	""	"Synthetic organic"	""	""	""	""	"464244109"	"155103607"	""	""	""	""	""	""	""	""	""	"AC484"	"CC(C)CCN[C@@H]1CCc2c(C1)c(F)c(N1CC(=O)NS1(=O)=O)c(O)c2"	"DVFCRTGTEXUFIN-GFCCVEGCSA-N"	"InChI=1S/C17H24FN3O4S/c1-10(2)5-6-19-12-4-3-11-7-14(22)17(16(18)13(11)8-12)21-9-15(23)20-26(21,24)25/h7,10,12,19,22H,3-6,8-9H2,1-2H3,(H,20,23)/t12-/m1/s1"	""	""	""
"6584"	"abciximab"	""	"Antibody"	"yes"	""	""	""	"178103197"	"0"	""	""	""	""	""	""	""	""	"abciximab"	"7E3 antibody|antiGPIIBIIIa|C7E3|ReoPro&reg;"	""	""	""	""	""	""
"11816"	"ABD-1970"	""	"Synthetic organic"	""	""	""	""	"458923851"	"122530045"	""	""	"CHEMBL4517565"	""	""	""	""	"1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]piperazine-1-carboxylate"	""	"ABD1970"	"O=C(N1CCN(Cc2ccc(Cl)cc2N2CC3OC(CC3)C2)CC1)OC(C(F)(F)F)C(F)(F)F"	"CXSFVTMRWPSLGO-UHFFFAOYSA-N"	"InChI=1S/C21H24ClF6N3O3/c22-14-2-1-13(17(9-14)31-11-15-3-4-16(12-31)33-15)10-29-5-7-30(8-6-29)19(32)34-18(20(23,24)25)21(26,27)28/h1-2,9,15-16,18H,3-8,10-12H2"	""	""	""
"14416"	"abdenoflast"	""	"Synthetic organic"	""	""	""	""	"523352208"	"156857536"	""	""	"CHEMBL5419019"	""	""	""	""	""	"abdenoflast"	"compound 13 [WO2021188450]"	"O=C(NC=1C2=C(C=C3C1CCC3)CCC2)NS(=O)(=O)C=4OC5=C(C4)CN6CCC5CC6"	"LQKIQSJLXCYGOX-UHFFFAOYSA-N"	"InChI=1S/C23H27N3O4S/c27-23(24-21-18-5-1-3-15(18)11-16-4-2-6-19(16)21)25-31(28,29)20-12-17-13-26-9-7-14(8-10-26)22(17)30-20/h11-12,14H,1-10,13H2,(H2,24,25,27)"	"yes"	""	""
"14220"	"ABEA-X-BY630"	""	"Synthetic organic"	""	""	"yes"	""	"521588860"	"0"	""	""	""	""	""	""	""	""	""	"ABEA-BY630"	"O=C([C@H]1O[C@@H](N2C=NC3=C(NCCCCNC(CCCCCNC(COC4=CC=C(/C=C/C5=[N+]6C(C=C5)=CC=7[N-](B6(F)F)C(=CC7)C8=CC=CS8)C=C4)=O)=O)N=CN=C23)[C@H](O)[C@@H]1O)NCC"	"LODSCYWXMGXOOZ-ZQJYZEHFSA-N"	"InChI=1S/C45H51BF2N10O7S/c1-2-49-44(63)41-39(61)40(62)45(65-41)56-28-55-38-42(53-27-54-43(38)56)52-23-7-6-22-50-36(59)10-4-3-5-21-51-37(60)26-64-33-18-12-29(13-19-33)11-14-30-15-16-31-25-32-17-20-34(35-9-8-24-66-35)58(32)46(47,48)57(30)31/h8-9,11-20,24-25,27-28,39-41,45,61-62H,2-7,10,21-23,26H2,1H3,(H,49,63)(H,50,59)(H,51,60)(H,52,53,54)/b14-11+/t39-,40+,41-,45+/m0/s1"	""	""	""
"9326"	"abediterol"	""	"Synthetic organic"	""	""	""	""	"318164845"	"11962616"	""	""	"CHEMBL3039530"	""	""	""	""	"5-[(1R)-2-[6-(2,2-difluoro-2-phenylethoxy)hexylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one"	"abediterol"	"LAS-100977"	"O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O"	"SFYAXIFVXBKRPK-QFIPXVFZSA-N"	"InChI=1S/C25H30F2N2O4/c26-25(27,18-8-4-3-5-9-18)17-33-15-7-2-1-6-14-28-16-22(31)19-10-12-21(30)24-20(19)11-13-23(32)29-24/h3-5,8-13,22,28,30-31H,1-2,6-7,14-17H2,(H,29,32)/t22-/m0/s1"	"yes"	""	""
"12417"	"abelacimab"	""	"Antibody"	""	""	""	""	"479821208"	"0"	""	""	""	""	""	""	""	""	"abelacimab"	"MAA-868|MAA868|NVS250519"	""	""	""	""	""	""
"7382"	"abemaciclib"	""	"Synthetic organic"	"yes"	""	""	""	"178103954"	"46220502"	""	""	"CHEMBL3301610"	""	""	""	""	"N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine"	"abemaciclib"	"CS-1230|HY-16297A|LY 2835219|LY-2835219 |LY2835219|Verzenio&reg;|Verzenios&reg;"	"CCN1CCN(CC1)Cc1ccc(nc1)Nc1ncc(c(n1)c1cc(F)c2c(c1)n(C(C)C)c(n2)C)F"	"UZWDCWONPYILKI-UHFFFAOYSA-N"	"InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)"	""	""	""
"8366"	"abexinostat"	""	"Synthetic organic"	""	""	""	""	"252166578"	"11749858"	""	""	"CHEMBL2103863"	""	""	""	""	"3-(dimethylaminomethyl)-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide"	"abexinostat"	"CRA-024781|CRA-24781|PCI-24781"	"ONC(=O)c1ccc(cc1)OCCNC(=O)c1oc2c(c1CN(C)C)cccc2"	"MAUCONCHVWBMHK-UHFFFAOYSA-N"	"InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)"	""	""	""
"10013"	"AbGn-168H"	""	"Antibody"	""	""	""	""	"375973203"	"0"	""	""	""	""	""	""	""	""	""	"AbGn-168|neihulizumab"	""	""	""	"yes"	""	""
"8371"	"abicipar pegol"	""	"Peptide"	""	""	""	""	"252166583"	"0"	""	""	""	""	""	""	""	""	"abicipar pegol"	"AGN-150998|MP0112"	""	""	""	""	""	""
"11870"	"abimtrelvir"	""	"Synthetic organic"	""	""	""	""	"461663426"	"162623517"	""	""	""	""	""	""	""	"(6E)-6-[(6-chloro-2-methyl-2H-indazol-5-yl)imino]-3-(5-methylpyridin-3-yl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazinane-2,4-dione"	""	""	"Clc1c(cc2cn(nc2c1)C)/N=c/1\[nH]c(=O)n(c(=O)n1Cc1cc(c(c(c1)F)F)F)c1cncc(c1)C"	"FTIFIZZEWIBTMR-UHFFFAOYSA-N"	"InChI=1S/C24H17ClF3N7O2/c1-12-3-15(9-29-8-12)35-23(36)31-22(30-20-6-14-11-33(2)32-19(14)7-16(20)25)34(24(35)37)10-13-4-17(26)21(28)18(27)5-13/h3-9,11H,10H2,1-2H3,(H,30,31,36)"	""	""	""
"13197"	"abimufloxacin"	""	"Synthetic organic"	""	""	""	""	"491299979"	"71289877"	""	""	""	""	""	""	""	"7-(6-amino-5-cyanopyridin-3-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid"	"abimufloxacin"	"OPS-2071"	"N#CC=1C=C(C=NC1N)C2=C(F)C=C3C(=O)C(=CN(C3=C2C)C4CC4)C(=O)O"	"DTSKYQBTFHFYAZ-UHFFFAOYSA-N"	"InChI=1S/C20H15FN4O3/c1-9-16(11-4-10(6-22)19(23)24-7-11)15(21)5-13-17(9)25(12-2-3-12)8-14(18(13)26)20(27)28/h4-5,7-8,12H,2-3H2,1H3,(H2,23,24)(H,27,28)"	""	""	"yes"
"6745"	"abiraterone"	""	"Synthetic organic"	""	""	""	""	"178103356"	"132971"	""	""	"CHEMBL254328"	""	""	""	""	"(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol"	"abiraterone"	""	"O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2c2cccnc2)C)C1)C"	"GZOSMCIZMLWJML-VJLLXTKPSA-N"	"InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1"	""	""	""
"9288"	"abiraterone acetate"	""	"Synthetic organic"	"yes"	""	""	""	"318164807"	"9821849"	""	""	"CHEMBL271227"	""	""	""	""	"[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate"	""	"Yonsa&reg;|Zytiga&reg;"	"CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2c2cccnc2)C)C1)C"	"UVIQSJCZCSLXRZ-UBUQANBQSA-N"	"InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1"	""	""	""
"13852"	"abiraterone-C6 oxime"	""	"Synthetic organic"	""	""	""	""	"513757537"	"175670497"	""	""	""	""	""	""	""	"(5Z,7S,9aR,11aS)-5-(hydroxyimino)-9a,11a-dimethyl-1-(pyridin-3-yl)-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol"	""	"compound 13b [PMID: 29792703]"	"C[C@]12CCC3C(C/C(=N/O)/C4C[C@@H](O)CC[C@]34C)C1CC=C2C5=CN=CC=C5"	"ZKFOPNLIHMQTMV-WQXWHBPHSA-N"	"InChI=1S/C24H32N2O2/c1-23-10-8-20-17(19(23)6-5-18(23)15-4-3-11-25-14-15)13-22(26-28)21-12-16(27)7-9-24(20,21)2/h3-5,11,14,16-17,19-21,27-28H,6-10,12-13H2,1-2H3/b26-22-/t16-,17?,19?,20?,21?,23+,24+/m0/s1"	""	""	""
"10044"	"abivertinib"	""	"Synthetic organic"	""	""	""	""	"375973232"	"72734520"	""	""	""	""	""	""	""	"N-[3-[[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide"	"abivertinib"	"AC0010|AC0010MA|avitinib (superceded INN)|FUJOVEE&reg;"	"C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(c(c2)F)N2CCN(CC2)C)nc2c1cc[nH]2"	"UOFYSRZSLXWIQB-UHFFFAOYSA-N"	"InChI=1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32)"	""	""	""
"8608"	"ABL127"	""	"Synthetic organic"	""	""	""	""	"252166809"	"24856225"	""	""	"CHEMBL1475741"	""	""	""	""	"dimethyl (3R)-3-cyclopentyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylate"	""	"ABL 127|ABL-127|compound 1 [PMID: 21639134]"	"COC(=O)N1N(C(=O)OC)C(=O)[C@@]1(C1CCCC1)c1ccccc1"	"ZRHWCAFAIHTQKD-KRWDZBQOSA-N"	"InChI=1S/C17H20N2O5/c1-23-15(21)18-14(20)17(13-10-6-7-11-13,19(18)16(22)24-2)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11H2,1-2H3/t17-/m0/s1"	""	""	""
"416"	"AB-MECA"	""	"Synthetic organic"	""	""	""	""	"135649875"	"5310992"	""	""	""	""	""	""	""	"(2S,3S,4R,5R)-5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide"	""	""	"CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)N"	"LDYMCRRFCMRFKB-MOROJQBDSA-N"	"InChI=1S/C18H21N7O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-2-4-10(19)5-3-9/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1"	""	""	""
"434"	"AB-NECA"	""	"Synthetic organic"	""	""	""	""	"135649876"	"57340157"	""	""	""	""	""	""	""	"N'-[6-anilino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-ethyloxamide"	""	"aminobenzyl-5'-N-ethylcarboxamidoadenosine"	"CCNC(=O)C(=O)Nc1nc(Nc2ccccc2)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO"	"ZLZSAUQLHYWSOL-HLFSEMCJSA-N"	"InChI=1S/C20H23N7O6/c1-2-21-17(31)18(32)26-20-24-15(23-10-6-4-3-5-7-10)12-16(25-20)27(9-22-12)19-14(30)13(29)11(8-28)33-19/h3-7,9,11,13-14,19,28-30H,2,8H2,1H3,(H,21,31)(H2,23,24,25,26,32)/t11-,13-,14-,19-/m1/s1"	""	""	""
"5526"	"abnormal cannabidiol"	""	"Synthetic organic"	""	""	""	""	"178102169"	"89949"	""	""	"CHEMBL499876"	""	""	""	""	"4-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl]-5-pentylbenzene-1,3-diol"	""	"Abn-CBD|CAY10429"	"CCCCCc1cc(O)cc(c1[C@@H]1C=C(C)CC[C@H]1C(=C)C)O"	"YWEZXUNAYVCODW-RBUKOAKNSA-N"	"InChI=1S/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1"	""	""	""
"9806"	"abrezekimab"	""	"Antibody"	""	""	""	""	"354702278"	"0"	""	""	""	""	""	""	""	""	"abrezekimab"	"CDP7766|UCB-4144|UCB4144|VR-942"	""	""	""	"yes"	""	""
"11531"	"abrilumab"	""	"Antibody"	""	""	""	""	"441604903"	"0"	""	""	""	""	""	""	""	""	"abrilumab"	"AMG 181|AMG-181|MEDI-7183|MEDI7183"	""	""	""	"yes"	""	""
"9991"	"abrocitinib"	""	"Synthetic organic"	"yes"	""	""	""	"374883878"	"78323835"	""	""	"CHEMBL3655081"	""	""	""	""	"N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide"	"abrocitinib"	"Cibinqo&reg;|compound 25 [PMID: 29298069]|PF-04965842|PF04965842"	"CCCS(=O)(=O)N[C@@H]1C[C@@H](C1)N(c1ncnc2c1cc[nH]2)C"	"IUEWXNHSKRWHDY-PHIMTYICSA-N"	"InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)/t10-,11+"	"yes"	""	""
"5308"	"ABS-201"	""	"Peptide"	""	""	""	""	"178101990"	"46866109"	""	""	"CHEMBL1170625"	""	""	""	""	""	""	"ABS 201|ABS201|HPI-201|HPI201|KK13"	"NCCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C"	"BLKOJISPADSFAG-JPDBKSEFSA-N"	"InChI=1S/C40H67N9O8/c1-24(2)22-30(38(56)57)47-36(54)32(40(4,5)6)48-34(52)29(23-26-15-17-27(50)18-16-26)46-35(53)31-14-11-21-49(31)37(55)28(13-10-20-44-39(42)43)45-33(51)25(3)12-8-7-9-19-41/h15-18,24-25,28-32,50H,7-14,19-23,41H2,1-6H3,(H,45,51)(H,46,53)(H,47,54)(H,48,52)(H,56,57)(H4,42,43,44)/t25-,28-,29-,30-,31-,32+/m0/s1"	""	""	""
"5307"	"ABS-212"	""	"Peptide"	""	""	""	""	"178101989"	"0"	""	""	""	""	""	""	""	""	""	"ABS 212|ABS212"	""	""	""	""	""	""
"14161"	"ABS-752"	""	"Synthetic organic"	""	""	""	""	"518520788"	"164030877"	""	""	""	""	""	""	""	"3-[6-(aminomethyl)-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione"	""	"ABS752|CT-01"	"O=C1C(N2CC3=C(C=C(F)C(CN)=C3)C2=O)CCC(N1)=O"	"VHUZYSKPEQGBJP-UHFFFAOYSA-N"	"InChI=1S/C14H14FN3O3/c15-10-4-9-8(3-7(10)5-16)6-18(14(9)21)11-1-2-12(19)17-13(11)20/h3-4,11H,1-2,5-6,16H2,(H,17,19,20)"	""	""	""
"10362"	"abscisic acid"	""	"Natural product"	""	""	""	""	"384403642"	"5375199"	""	""	"CHEMBL379808"	""	""	""	""	"(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid"	""	"(+/-)-(cis,trans)-abscisic acid|(+/-)-Abscisic acid|(RS)-Abscisic acid|ABA"	"OC(=O)/C=C(\C=C\C1(O)C(=CC(=O)CC1(C)C)C)/C"	"JLIDBLDQVAYHNE-LXGGSRJLSA-N"	"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-"	"yes"	""	""
"12458"	"absinthin"	""	"Natural product"	""	""	""	""	"479821248"	"442138"	""	""	"CHEMBL4647301"	""	""	""	""	""	""	"(+)-absinthin|absynthin"	"C[C@H]1[C@@H]2CC[C@]([C@@H]3[C@H]4[C@H]5C=C([C@@]6([C@H]4C(=C3[C@H]2OC1=O)C)[C@@H]5[C@@](CC[C@@H]7[C@@H]6OC(=O)[C@H]7C)(C)O)C)(C)O"	"PZHWYURJZAPXAN-ILOFNVQHSA-N"	"InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3/t13-,14-,16-,17-,18+,20-,21-,22-,23-,24-,25-,28-,29-,30+/m0/s1"	""	""	""
"14162"	"ABT-002"	""	"Synthetic organic"	""	""	""	""	"518520789"	"155338791"	""	""	""	""	""	""	""	"2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindole-5-carboxylic acid"	""	""	"OC(=O)C1=CC2=C(C=C1F)C(=O)N(C2)C3CCC(=O)NC3=O"	"OBCYSDKGKQWABZ-UHFFFAOYSA-N"	"InChI=1S/C14H11FN2O5/c15-9-4-7-6(3-8(9)14(21)22)5-17(13(7)20)10-1-2-11(18)16-12(10)19/h3-4,10H,1-2,5H2,(H,21,22)(H,16,18,19)"	""	""	""
"1218"	"ABT-239"	""	"Synthetic organic"	""	""	""	""	"135649878"	"9818903"	""	""	"CHEMBL351231"	""	""	""	""	"4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile"	""	"ABT 239|ABT239"	"N#Cc1ccc(cc1)c1ccc2c(c1)cc(o2)CCN1CCC[C@H]1C"	"KFHYZKCRXNRKRC-MRXNPFEDSA-N"	"InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1"	""	""	""
"6927"	"ABT-288"	""	"Synthetic organic"	""	""	""	""	"178103509"	"24743471"	""	""	""	""	""	""	""	"2-[4-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-c]pyrrol-1-yl]phenyl]phenyl]pyridazin-3-one"	""	"ABT 288|ABT288"	"CN1C[C@@H]2[C@H](C1)N(CC2)c1ccc(cc1)c1ccc(cc1)n1ncccc1=O"	"GNIRITULTPTAQW-KNQAVFIVSA-N"	"InChI=1S/C23H24N4O/c1-25-15-19-12-14-26(22(19)16-25)20-8-4-17(5-9-20)18-6-10-21(11-7-18)27-23(28)3-2-13-24-27/h2-11,13,19,22H,12,14-16H2,1H3/t19-,22+/m1/s1"	""	""	""
"1849"	"ABT-299"	""	"Synthetic organic"	""	""	""	""	"135649879"	"9830503"	""	""	""	""	""	""	""	"[3-[(3R)-7-[1-(dimethylcarbamoyl)-6-(4-fluorophenyl)indole-3-carbonyl]-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-3-yl]pyridin-1-ium-1-yl]methyl acetate chloride"	""	"ABT 299|ABT299"	"CC(=O)OC[n+]1cccc(c1)[C@H]1SCc2n1ccc2C(=O)c1cn(c2c1ccc(c2)c1ccc(cc1)F)C(=O)N(C)C.[Cl-]"	"NKIONDJYXPXFFL-JSSVAETHSA-M"	"InChI=1S/C32H28FN4O4S.ClH/c1-20(38)41-19-35-13-4-5-23(16-35)31-36-14-12-26(29(36)18-42-31)30(39)27-17-37(32(40)34(2)3)28-15-22(8-11-25(27)28)21-6-9-24(33)10-7-21;/h4-17,31H,18-19H2,1-3H3;1H/q+1;/p-1/t31-;/m1./s1"	""	""	""
"7357"	"ABT-384"	""	"Synthetic organic"	""	""	""	""	"178103929"	"11670435"	""	""	""	""	""	""	""	"4-[[2-methyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanoyl]amino]adamantane-1-carboxamide"	""	"ABT 384|ABT384"	"O=C(C(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)(C)C)NC1C2CC3CC1CC(C2)(C3)C(=O)N"	"CLHMYBJIOZXCEX-UHFFFAOYSA-N"	"InChI=1S/C25H34F3N5O2/c1-23(2,33-7-5-32(6-8-33)19-4-3-18(14-30-19)25(26,27)28)22(35)31-20-16-9-15-10-17(20)13-24(11-15,12-16)21(29)34/h3-4,14-17,20H,5-13H2,1-2H3,(H2,29,34)(H,31,35)"	""	""	""
"1850"	"ABT-491"	""	"Synthetic organic"	""	""	""	""	"135649880"	"154087"	""	""	"CHEMBL369225"	""	""	""	""	"4-ethynyl-3-[3-fluoro-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-N,N-dimethylindole-1-carboxamide"	""	"ABT 491|ABT491"	"C#Cc1cccc2c1c(cn2C(=O)N(C)C)C(=O)c1ccc(c(c1)F)Cn1c(C)nc2c1ccnc2"	"GDLNHSUSOZEAOR-UHFFFAOYSA-N"	"InChI=1S/C28H22FN5O2/c1-5-18-7-6-8-25-26(18)21(16-34(25)28(36)32(3)4)27(35)19-9-10-20(22(29)13-19)15-33-17(2)31-23-14-30-12-11-24(23)33/h1,6-14,16H,15H2,2-4H3"	""	""	""
"7721"	"ABT-639"	""	"Synthetic organic"	""	""	""	""	"223366054"	"46851313"	""	""	""	""	""	""	""	"5-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide"	""	"ABT 639|ABT639"	"Fc1cc(Cl)c(cc1S(=O)(=O)Nc1ccccc1F)C(=O)N1CCN2[C@@H](C1)CCC2"	"AGPIHNZOZNKRGT-CYBMUJFWSA-N"	"InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1"	""	""	""
"8439"	"ABT-670"	""	"Synthetic organic"	""	""	""	""	"252166649"	"16094676"	""	""	"CHEMBL219182"	""	""	""	""	"3-methyl-N-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]benzamide"	""	"ABT 670|ABT670|compound 6b [PMID 17149874]"	"Cc1cccc(c1)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]"	"PUMMPCXNEPHBNN-UHFFFAOYSA-N"	"InChI=1S/C19H23N3O2/c1-15-5-4-6-17(13-15)19(23)20-14-21-11-8-16(9-12-21)18-7-2-3-10-22(18)24/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,20,23)"	""	""	""
"5131"	"ABT702"	""	"Synthetic organic"	""	""	""	""	"178101823"	"1973"	""	""	"CHEMBL66089"	""	""	""	""	"5-(3-bromophenyl)-7-[6-(morpholin-4-yl)pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine"	""	"ABT 702|ABT-702"	"Brc1cccc(c1)c1cc(nc2c1c(N)ncn2)c1ccc(nc1)N1CCOCC1"	"RQCXKDWOCUJWQZ-UHFFFAOYSA-N"	"InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)"	""	""	""
"8320"	"ABT-737"	""	"Synthetic organic"	""	""	""	""	"252166532"	"11228183"	""	""	"CHEMBL376408"	""	""	""	""	"4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-dimethylamino-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide"	""	"ABT 737|ABT737|compound 2 [PMID 17256834]"	"CN(CC[C@@H](Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)Cc1ccccc1c1ccc(cc1)Cl)CSc1ccccc1)C"	"HPLNQCPCUACXLM-PGUFJCEWSA-N"	"InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1"	"yes"	""	""
"10062"	"ABX-1431"	""	"Synthetic organic"	""	""	""	""	"375973250"	"71657619"	""	""	"CHEMBL3945728"	""	""	""	""	"1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate"	""	"ABX1431|compound 28 [PMID: 30067909]|compound 9aq [WO2013103973A1]|example 82 [WO2013103973A1]"	"O=C(N1CCN(CC1)Cc1ccc(cc1N1CCCC1)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F"	"SQZJGTOZFRNWCX-UHFFFAOYSA-N"	"InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2"	""	""	""
"5132"	"Abz-Ser-Pro-Tyr(NO<sub>2</sub>)-OH"	""	"Peptide"	""	""	""	""	"178101824"	"0"	""	""	""	""	""	""	""	""	""	"o-aminobenzoyl-Ser-Pro-Tyr(NO<sub>2</sub>)-OH|TBC5182"	""	""	""	""	""	""
"8331"	"A(C10/15S)INSL3"	""	"Peptide"	""	""	""	""	"252166543"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"13927"	"AC1115"	""	"Synthetic organic"	""	""	""	""	"513757612"	"143239739"	""	""	""	""	""	""	""	"N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide"	""	""	"CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)C2=CC3=CC=CC=C3N2"	"HXJZYYCILNIXEI-BQFCYCMXSA-N"	"InChI=1S/C22H28N4O4/c1-13(2)9-18(21(29)24-16(12-27)10-15-7-8-23-20(15)28)26-22(30)19-11-14-5-3-4-6-17(14)25-19/h3-6,11-13,15-16,18,25H,7-10H2,1-2H3,(H,23,28)(H,24,29)(H,26,30)/t15-,16-,18-/m0/s1"	""	""	""
"2065"	"AC-178,335"	""	"Peptide"	""	""	""	""	"135651966"	"0"	""	""	""	""	""	""	""	""	""	"AC 178335"	""	""	""	""	""	""
"8897"	"AC-186"	""	"Synthetic organic"	""	""	""	""	"310264678"	"71245042"	""	""	""	""	""	""	""	"4-[4,4-difluoro-1-(2-fluorophenyl)cyclohexyl]phenol"	""	"AC 186"	"Oc1ccc(cc1)C1(CCC(CC1)(F)F)c1ccccc1F"	"HSMUKSLNDJOZQG-UHFFFAOYSA-N"	"InChI=1S/C18H17F3O/c19-16-4-2-1-3-15(16)17(9-11-18(20,21)12-10-17)13-5-7-14(22)8-6-13/h1-8,22H,9-12H2"	""	""	""
"689"	"AC187"	""	"Peptide"	""	""	""	""	"135651967"	"16133792"	""	""	""	""	""	""	""	""	""	"AC 187|AC-187|acetyl-(Asn<sup>30</sup>,Tyr<sup>32</sup>)-calcitonin<sub>8-32</sub>|salmon calcitonin (8-32) reduced"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)[C@H](O)C)CC(=O)N)CO)[C@H](O)C)CC(=O)N)[C@H](O)C)CCCNC(=N)N)Cc1ccc(cc1)O)[C@H](O)C)CCC(=O)N)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)C)CC(C)C)CCCCN)CC(C)C)CO)CCC(=O)N)CCC(=O)O)CC(C)C)Cc1nc[nH]c1"	"ZLFXHYNEZYAYPG-AABHONRUSA-N"	"InChI=1S/C127H205N37O40/c1-59(2)44-81(156-122(200)99(63(9)10)142-68(15)171)105(183)139-54-96(178)143-74(22-16-18-40-128)106(184)151-84(47-62(7)8)114(192)159-90(57-166)119(197)148-77(34-37-92(130)174)108(186)146-79(36-39-98(180)181)109(187)153-83(46-61(5)6)113(191)154-85(50-71-53-137-58-141-71)115(193)145-75(23-17-19-41-129)107(185)152-82(45-60(3)4)112(190)147-78(35-38-93(131)175)111(189)162-103(67(14)170)125(203)158-88(49-70-28-32-73(173)33-29-70)126(204)164-43-21-25-91(164)120(198)149-76(24-20-42-138-127(135)136)110(188)161-102(66(13)169)124(202)157-87(52-95(133)177)117(195)160-100(64(11)167)121(199)140-55-97(179)144-89(56-165)118(196)155-86(51-94(132)176)116(194)163-101(65(12)168)123(201)150-80(104(134)182)48-69-26-30-72(172)31-27-69/h26-33,53,58-67,74-91,99-103,165-170,172-173H,16-25,34-52,54-57,128-129H2,1-15H3,(H2,130,174)(H2,131,175)(H2,132,176)(H2,133,177)(H2,134,182)(H,137,141)(H,139,183)(H,140,199)(H,142,171)(H,143,178)(H,144,179)(H,145,193)(H,146,186)(H,147,190)(H,148,197)(H,149,198)(H,150,201)(H,151,184)(H,152,185)(H,153,187)(H,154,191)(H,155,196)(H,156,200)(H,157,202)(H,158,203)(H,159,192)(H,160,195)(H,161,188)(H,162,189)(H,163,194)(H,180,181)(H4,135,136,138)/t64-,65-,66-,67-,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,99+,100+,101+,102+,103+/m1/s1"	""	""	""
"10290"	"AC1903"	""	"Synthetic organic"	""	""	""	""	"381744971"	"667146"	""	""	"CHEMBL1345058"	""	""	""	""	"1-benzyl-N-(furan-2-ylmethyl)benzimidazol-2-amine"	""	"AC-1903"	"c1ccc(cc1)Cn1c(NCc2ccco2)nc2c1cccc2"	"OECUWHDVQIITIS-UHFFFAOYSA-N"	"InChI=1S/C19H17N3O/c1-2-7-15(8-3-1)14-22-18-11-5-4-10-17(18)21-19(22)20-13-16-9-6-12-23-16/h1-12H,13-14H2,(H,20,21)"	""	""	""
"334"	"AC-260584"	""	"Synthetic organic"	""	""	""	""	"135649881"	"9928284"	""	""	"CHEMBL2022960"	""	""	""	""	"4-[3-(4-butylpiperidin-1-yl)propyl]-7-fluoro-1,4-benzoxazin-3-one"	""	"AC 260584|AC260584"	"CCCCC1CCN(CC1)CCCN1C(=O)COc2c1ccc(c2)F"	"BWAKMLKESHKOHK-UHFFFAOYSA-N"	"InChI=1S/C20H29FN2O2/c1-2-3-5-16-8-12-22(13-9-16)10-4-11-23-18-7-6-17(21)14-19(18)25-15-20(23)24/h6-7,14,16H,2-5,8-13,15H2,1H3"	""	""	""
"4054"	"AC261066"	""	"Synthetic organic"	""	""	""	""	"178100878"	"11530459"	""	""	"CHEMBL198997"	""	""	""	""	"4-[4-(2-butoxyethoxy)-5-methyl-1,3-thiazol-2-yl]-2-fluorobenzoic acid"	""	"AC 261066|AC-261066"	"CCCCOCCOc1nc(sc1C)c1ccc(c(c1)F)C(=O)O"	"HSAOETBFVAWNRP-UHFFFAOYSA-N"	"InChI=1S/C17H20FNO4S/c1-3-4-7-22-8-9-23-15-11(2)24-16(19-15)12-5-6-13(17(20)21)14(18)10-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,20,21)"	""	""	""
"4017"	"AC262620"	""	"Synthetic organic"	""	""	""	""	"178100843"	"0"	""	""	""	""	""	""	""	""	""	"AC 262620|AC-262620"	""	""	""	""	""	""
"4018"	"AC262970"	""	"Synthetic organic"	""	""	""	""	"178100844"	"0"	""	""	""	""	""	""	""	""	""	"AC 262970|AC-262970"	""	""	""	""	""	""
"4020"	"AC263093"	""	"Synthetic organic"	""	""	""	""	"178100846"	"0"	""	""	""	""	""	""	""	""	""	"AC 263093|AC-263093"	""	""	""	""	""	""
"9460"	"AC264613"	""	"Synthetic organic"	""	""	""	""	"329968400"	"25108278"	""	""	"CHEMBL494502"	""	""	""	""	"(3S,4R)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide"	""	"AC-264613|compound 3 [PMID: 18720984]"	"Brc1cccc(c1)/C(=N/NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1)/C"	"RQKXQCSEZPQBNZ-QSBCOWLBSA-N"	"InChI=1S/C19H18BrN3O2/c1-12(14-8-5-9-15(20)10-14)22-23-19(25)17-16(11-21-18(17)24)13-6-3-2-4-7-13/h2-10,16-17H,11H2,1H3,(H,21,24)(H,23,25)/b22-12+/t16-,17-/m0/s1"	""	""	""
"3947"	"AC265347"	""	"Synthetic organic"	""	""	""	""	"178100774"	"52943938"	""	""	"CHEMBL1256367"	""	""	""	""	"1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol"	""	"AC 265347|AC-265347"	"Cc1ccc(c(c1)C)C(c1nc2c(s1)cccc2)(O)C"	"IGSZVEPQZANNAB-UHFFFAOYSA-N"	"InChI=1S/C17H17NOS/c1-11-8-9-13(12(2)10-11)17(3,19)16-18-14-6-4-5-7-15(14)20-16/h4-10,19H,1-3H3"	""	""	""
"289"	"AC-42"	""	"Synthetic organic"	""	""	""	""	"135649882"	"9948320"	""	""	"CHEMBL1242950"	""	""	""	""	"4-(4-butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one"	""	"AC 42|AC42"	"CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C"	"ANTKBACNWQHQJE-UHFFFAOYSA-N"	"InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3"	""	""	""
"9177"	"AC430"	""	"Synthetic organic"	""	""	""	""	"315661260"	"56833309"	""	""	""	""	""	""	""	"(R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol"	""	"AC-430"	"Fc1ccc(cc1)[C@H](c1nc(Nc2n[nH]c(c2)C)c2c(n1)cccc2)O"	"DCRWIATZWHLIPN-QGZVFWFLSA-N"	"InChI=1S/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)/t17-/m1/s1"	"yes"	""	""
"5422"	"AC45594"	""	"Synthetic organic"	""	""	""	""	"178102075"	"25641"	""	""	"CHEMBL193558"	""	""	""	""	"4-(heptyloxy)phenol"	""	"4-(heptyloxy)benzolol|4-heptoxyphenol"	"CCCCCCCOc1ccc(cc1)O"	"HZBABTUFXQLADL-UHFFFAOYSA-N"	"InChI=1S/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3"	""	""	""
"9456"	"AC-55541"	""	"Synthetic organic"	""	""	""	""	"329968396"	"9589606"	""	""	"CHEMBL493076"	""	""	""	""	"N-[2-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide"	""	"AC55541"	"Brc1cccc(c1)/C(=N/NC(=O)C(c1n[nH]c(=O)c2c1cccc2)NC(=O)c1ccccc1)/C"	"UCUHFWIFSHROPY-RWPZCVJISA-N"	"InChI=1S/C25H20BrN5O3/c1-15(17-10-7-11-18(26)14-17)28-31-25(34)22(27-23(32)16-8-3-2-4-9-16)21-19-12-5-6-13-20(19)24(33)30-29-21/h2-14,22H,1H3,(H,27,32)(H,30,33)(H,31,34)/b28-15+"	""	""	""
"4055"	"AC55649"	""	"Synthetic organic"	""	""	""	""	"178100879"	"1714884"	""	""	"CHEMBL425027"	""	""	""	""	"4-(4-octylphenyl)benzoic acid"	""	"AC 55649|AC-55649"	"CCCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)O"	"HXBKPYIEQLLNBK-UHFFFAOYSA-N"	"InChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)"	""	""	""
"8095"	"AC710"	""	"Synthetic organic"	""	""	""	""	"249565775"	"54760053"	""	""	"CHEMBL2206278"	""	""	""	""	"N-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}phenyl)-5-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]pyridine-2-carboxamide"	""	"AC 710|AC-710"	"CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(cc1)NC(=O)Nc1noc(c1)C(C)(C)C"	"JVCWPUFNLFSKFS-UHFFFAOYSA-N"	"InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39)"	""	""	""
"2151"	"AC-7954"	""	"Synthetic organic"	""	""	""	""	"135649883"	"9797568"	""	""	"CHEMBL192359"	""	""	""	""	"3-(4-chlorophenyl)-3-(2-dimethylaminoethyl)isochroman-1-one"	""	"AC 7954|AC7954"	"CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C"	"HIVBATDUVFEJFZ-UHFFFAOYSA-N"	"InChI=1S/C19H20ClNO2/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19/h3-10H,11-13H2,1-2H3"	""	""	""
"174"	"AC-90179"	""	"Synthetic organic"	""	""	""	""	"135649884"	"9799308"	""	""	""	""	""	""	""	"2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide"	""	"AC 90179|AC90179"	"COc1ccc(cc1)CC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)C"	"AHGNJBSTWQOSAB-UHFFFAOYSA-N"	"InChI=1S/C23H30N2O2/c1-18-4-6-20(7-5-18)17-25(21-12-14-24(2)15-13-21)23(26)16-19-8-10-22(27-3)11-9-19/h4-11,21H,12-17H2,1-3H3"	""	""	""
"9457"	"AC-98170"	""	"Synthetic organic"	""	""	""	""	"329968397"	"9696680"	""	""	"CHEMBL494303"	""	""	""	""	"(3S,4R)-2-oxo-4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyrrolidine-3-carboxamide"	""	"AC98170"	"O=C([C@@H]1C(=O)NC[C@H]1c1ccccc1)N/N=C(/c1cccs1)\C"	"GNFXCDMTRHENBV-CJINARDKSA-N"	"InChI=1S/C17H17N3O2S/c1-11(14-8-5-9-23-14)19-20-17(22)15-13(10-18-16(15)21)12-6-3-2-4-7-12/h2-9,13,15H,10H2,1H3,(H,18,21)(H,20,22)/b19-11+/t13-,15-/m0/s1"	""	""	""
"2443"	"ACAA"	""	"Synthetic organic"	""	""	""	""	"135649885"	"5353376"	""	""	"CHEMBL173443"	""	""	""	""	"2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid"	""	"ACA"	"CCCCCc1ccc(cc1)/C=C/C(=O)Nc1ccccc1C(=O)O"	"GAMRBCZMOOMBSQ-CCEZHUSRSA-N"	"InChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)/b15-14+"	""	""	""
"13776"	"acacetin"	""	"Natural product"	""	""	""	""	"507750409"	"5280442"	""	""	"CHEMBL243664"	""	""	""	""	"5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one"	""	"4'-Methoxyapigenin|Apigenin 4'-methyl ether|buddleoflavonol|linarigenin"	"COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O"	"DANYIYRPLHHOCZ-UHFFFAOYSA-N"	"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3"	""	""	""
"5133"	"acadesine"	""	"Synthetic organic"	""	""	""	""	"178101825"	"17513"	""	""	"CHEMBL1551724"	""	""	""	""	"5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-4-carboxamide"	"acadesine"	"AICA-riboside|AR-100|SCH-900395"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(c1N)C(=O)N"	"RTRQQBHATOEIAF-UUOKFMHZSA-N"	"InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1"	""	""	""
"8912"	"acalabrutinib"	""	"Synthetic organic"	"yes"	""	""	""	"310264693"	"71226662"	""	""	""	""	""	""	""	"4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide"	"acalabrutinib"	"ACP-196|Calquence&reg;|Example 6 [US20140155385 A1]"	"CC#CC(=O)N1CCC[C@H]1c1nc(c2n1ccnc2N)c1ccc(cc1)C(=O)Nc1ccccn1"	"WDENQIQQYWYTPO-IBGZPJMESA-N"	"InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1"	"yes"	""	""
"10096"	"acalisib"	""	"Synthetic organic"	""	""	""	""	"381118806"	"11618268"	""	""	""	""	""	""	""	"6-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one"	"acalisib"	"CAL-120|GS-9820"	"Fc1ccc2c(c1)c(=O)n(c(n2)[C@@H](Nc1ncnc2c1[nH]cn2)C)c1ccccc1"	"DOCINCLJNAXZQF-LBPRGKRZSA-N"	"InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1"	""	""	""
"7106"	"acamprosate"	""	"Synthetic organic"	"yes"	""	""	""	"178103683"	"71158"	""	""	"CHEMBL1201293"	""	""	""	""	"N-(3-sulfopropyl)ethanimidic acid"	"acamprosate"	"Campral&reg;"	"CC(=NCCCS(=O)(=O)O)O"	"AFCGFAGUEYAMAO-UHFFFAOYSA-N"	"InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10)"	""	""	""
"6791"	"acarbose"	""	"Synthetic organic"	"yes"	""	""	""	"178103397"	"444254"	""	""	"CHEMBL1566"	""	""	""	""	"(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol"	"acarbose"	"BAY-G 5421|BAY-G-5421|Glucobay&reg;|Precose&reg;"	"OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)O)N[C@H]1C=C(CO)[C@H]([C@@H]([C@H]1O)O)O)O)O"	"XUFXOAAUWZOOIT-SXARVLRPSA-N"	"InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1"	""	""	""
"1342"	"Ac-c[Cys-Glu-His-D-Phe-Arg-Trp-D-Cys]-Pro-Pro-Lys-Asp-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"135651968"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5583"	"[Ac-D-2Nal<sup>1</sup>,D4CPA<sup>2</sup>,D-3Pal<sup>3,6</sup>,Leu<sup>8</sup>, D-Ala<sup>10</sup>]GnRH-II"	""	"Peptide"	""	""	""	""	"178102218"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6527"	"Ac-DEVD-CHO"	""	"Synthetic organic"	""	""	""	""	"178103141"	"644345"	""	""	"CHEMBL417149"	""	""	""	""	"(4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid"	""	""	"O=C[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(=O)O)CCC(=O)O)CC(=O)O"	"UMBVAPCONCILTL-MRHIQRDNSA-N"	"InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1"	""	""	""
"3388"	"ACDPP"	""	"Synthetic organic"	""	""	""	""	"178100405"	"16759169"	""	""	"CHEMBL1616372"	""	""	""	""	"3-amino-6-chloro-5-(dimethylamino)-N-(pyridin-3-yl)pyrazine-2-carboxamide"	""	""	"O=C(c1nc(Cl)c(nc1N)N(C)C)Nc1cccnc1"	"RNGRUHWJJPTYNR-UHFFFAOYSA-N"	"InChI=1S/C12H13ClN6O/c1-19(2)11-9(13)17-8(10(14)18-11)12(20)16-7-4-3-5-15-6-7/h3-6H,1-2H3,(H2,14,18)(H,16,20)"	""	""	""
"11984"	"acebilustat"	""	"Synthetic organic"	""	""	""	""	"464244125"	"68488178"	""	""	"CHEMBL4297604"	""	""	""	""	"4-[[(1S,4S)-5-[[4-[4-(1,3-oxazol-2-yl)phenoxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid"	"acebilustat"	"CTX-4430|CTX4430"	"C1[C@H]2CN([C@@H]1CN2Cc1ccc(cc1)Oc1ccc(cc1)c1ncco1)Cc1ccc(cc1)C(=O)O"	"GERJIEKMNDGSCS-DQEYMECFSA-N"	"InChI=1S/C29H27N3O4/c33-29(34)23-5-1-20(2-6-23)16-31-18-25-15-24(31)19-32(25)17-21-3-9-26(10-4-21)36-27-11-7-22(8-12-27)28-30-13-14-35-28/h1-14,24-25H,15-19H2,(H,33,34)/t24-,25-/m0/s1"	""	""	""
"7107"	"acebutolol"	""	"Synthetic organic"	"yes"	""	""	""	"178103684"	"1978"	""	""	"CHEMBL642"	""	""	""	""	"N-(3-acetyl-4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butanimidic acid"	"acebutolol"	"IL-17803A|Sectral&reg;"	"CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O"	"GOEMGAFJFRBGGG-UHFFFAOYSA-N"	"InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)"	""	""	""
"286"	"(+)-aceclidine"	""	"Synthetic organic"	""	""	""	""	"135649887"	"6954180"	""	""	""	""	""	""	""	"(3S)-3-(acetyloxy)-1-azabicyclo[2.2.2]octan-1-ium"	"aceclidine"	"S-(+)-aceclidine"	"CC(=O)O[C@@H]1C[NH+]2CCC1CC2"	"WRJPSSPFHGNBMG-SECBINFHSA-O"	"InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3/p+1/t9-/m1/s1"	""	""	""
"288"	"(-)-aceclidine"	""	"Synthetic organic"	""	""	""	""	"135649886"	"6979053"	""	""	""	""	""	""	""	"[(8R)-1-azoniabicyclo[2.2.2]octan-8-yl] acetate"	"aceclidine"	"R-(-)-aceclidine"	"CC(=O)O[C@H]1C[NH+]2CCC1CC2"	"WRJPSSPFHGNBMG-VIFPVBQESA-O"	"InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3/p+1/t9-/m0/s1"	""	""	""
"14102"	"aceclidine"	""	"Synthetic organic"	"yes"	""	""	""	"518520729"	"1979"	""	""	"CHEMBL20835"	""	""	""	""	"1-azabicyclo[2.2.2]octan-3-yl acetate"	"aceclidine"	"&plusmn;aceclidine|LINZ-101|LINZ101|racemic aceclidine|VIZZ&reg;"	"CC(=O)OC1CN2CCC1CC2"	"WRJPSSPFHGNBMG-UHFFFAOYSA-N"	"InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3"	""	""	""
"7389"	"acelarin"	""	"Synthetic organic"	""	""	""	""	"178103961"	"73755261"	""	""	""	""	""	""	""	"benzyl (2S)-2-[({[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy}(phenoxy)phosphoryl)amino]propanoate"	""	"NUC-1031"	"O=C([C@@H](NP(=O)(Oc1ccccc1)OC[C@H]1O[C@H](C([C@H]1O)(F)F)n1ccc(nc1=O)N)C)OCc1ccccc1"	"NHTKGYOMICWFQZ-BSMFTPRPSA-N"	"InChI=1S/C25H27F2N4O8P/c1-16(22(33)36-14-17-8-4-2-5-9-17)30-40(35,39-18-10-6-3-7-11-18)37-15-19-21(32)25(26,27)23(38-19)31-13-12-20(28)29-24(31)34/h2-13,16,19,21,23,32H,14-15H2,1H3,(H,30,35)(H2,28,29,34)/t16-,19+,21-,23+,40?/m0/s1"	""	""	""
"9015"	"acenocoumarol"	""	"Synthetic organic"	"yes"	""	""	""	"315661100"	"54676537"	""	""	"CHEMBL397420"	""	""	""	""	"4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one"	"acenocoumarol"	"Sinthrome&reg;|Sintrom&reg;"	"CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccc(cc1)[N+](=O)[O-]"	"VABCILAOYCMVPS-UHFFFAOYSA-N"	"InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3"	""	""	""
"12460"	"acesulfame"	""	"Synthetic organic"	""	""	""	""	"479821250"	"36573"	""	""	"CHEMBL176687"	""	""	""	""	"6-methyl-2,2-dioxooxathiazin-4-one"	"acesulfame"	"acetosulfam"	"CC1=CC(=O)NS(=O)(=O)O1"	"YGCFIWIQZPHFLU-UHFFFAOYSA-N"	"InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)"	""	""	""
"4123"	"ACET"	""	"Synthetic organic"	""	""	""	""	"178100945"	"16125102"	""	""	"CHEMBL373429"	""	""	""	""	"3-({3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}methyl)-5-phenylthiophene-2-carboxylic acid"	""	""	"N[C@H](C(=O)O)Cn1cc(C)c(=O)n(c1=O)Cc1cc(sc1C(=O)O)c1ccccc1"	"LCZDCKMQSBGXAH-AWEZNQCLSA-N"	"InChI=1S/C20H19N3O6S/c1-11-8-22(10-14(21)18(25)26)20(29)23(17(11)24)9-13-7-15(30-16(13)19(27)28)12-5-3-2-4-6-12/h2-8,14H,9-10,21H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1"	""	""	""
"6277"	"acetaldehyde"	""	"Metabolite"	""	""	""	""	"178102897"	"177"	""	""	"CHEMBL170365"	""	""	""	""	"acetaldehyde"	""	"acetic aldehyde|ethanal|ethyl aldehyde|NSC 7594"	"CC=O"	"IKHGUXGNUITLKF-UHFFFAOYSA-N"	"InChI=1S/C2H4O/c1-2-3/h2H,1H3"	""	""	""
"4661"	"acetamide"	""	"Synthetic organic"	""	""	""	""	"178101376"	"178"	""	""	"CHEMBL16081"	""	""	""	""	"acetamide"	""	"ethanamide|methylformamide"	"CC(=O)N"	"DLFVBJFMPXGRIB-UHFFFAOYSA-N"	"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)"	""	""	""
"6792"	"acetazolamide"	""	"Synthetic organic"	"yes"	""	""	""	"178103398"	"1986"	""	""	"CHEMBL20"	""	""	""	""	"N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide"	"acetazolamide"	"Diamox&reg;"	"CC(=O)Nc1nnc(s1)S(=O)(=O)N"	"BZKPWHYZMXOIDC-UHFFFAOYSA-N"	"InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)"	""	""	""
"1058"	"acetic acid"	""	"Metabolite"	""	""	""	""	"135651422"	"176"	""	""	"CHEMBL539"	""	""	""	""	"acetic acid"	""	"acetate|ethanoic acid"	"CC(=O)O"	"QTBSBXVTEAMEQO-UHFFFAOYSA-N"	"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)"	""	""	""
"4522"	"acetoacetic acid"	""	"Synthetic organic"	""	""	""	""	"178101247"	"6971017"	""	""	"CHEMBL2074691"	""	""	""	""	"3-oxobutanoate"	""	"acetoacetate|diacetic acid"	"[O-]C(=O)CC(=O)C"	"WDJHALXBUFZDSR-UHFFFAOYSA-M"	"InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)/p-1"	""	""	""
"3039"	"acetoacetyl CoA"	""	"Metabolite"	""	""	""	""	"135651423"	"92153"	""	""	""	""	""	""	""	"S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-oxobutanethioate"	""	"3-acetoacetyl-CoA|acetoacetyl coenzyme A|acetoacetyl-CoA|acetoacetyl-coenzyme a"	"O=C(NCCSC(=O)CC(=O)C)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O"	"OJFDKHTZOUZBOS-CITAKDKDSA-N"	"InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1"	""	""	""
"6793"	"acetohexamide"	""	"Synthetic organic"	"yes"	""	""	""	"178103399"	"1989"	""	""	"CHEMBL1589"	""	""	""	""	"3-(4-acetylbenzenesulfonyl)-1-cyclohexylurea"	"acetohexamide"	"Dymelor&reg;"	"O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1"	"VGZSUPCWNCWDAN-UHFFFAOYSA-N"	"InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)"	""	""	""
"294"	"acetylcholine"	""	"Metabolite"	""	""	""	""	"135651424"	"187"	""	""	"CHEMBL667"	""	""	""	""	"2-acetyloxyethyl-trimethylazanium"	"acetylcholine chloride"	"ACh|E1001|O-acetylcholine"	"CC(=O)OCC[N+](C)(C)C"	"OIPILFWXSMYKGL-UHFFFAOYSA-N"	"InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1"	""	""	""
"3038"	"acetyl CoA"	""	"Metabolite"	""	""	""	""	"135651425"	"444493"	""	""	""	""	""	""	""	"S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] ethanethioate"	""	"acetyl coenzyme A|acetyl-CoA|acetylCoA|S-acetyl coenzyme A"	"O=C(NCCSC(=O)C)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O"	"ZSLZBFCDCINBPY-ZSJPKINUSA-N"	"InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1"	""	""	""
"10945"	"acetylcysteine"	""	"Synthetic organic"	"yes"	""	""	""	"405560386"	"12035"	""	""	"CHEMBL600"	""	""	""	""	"(2R)-2-acetamido-3-sulfanylpropanoic acid"	"acetylcysteine"	"Ilube&reg; (eye drops)|N-A-C Sustain&reg;|N-Acetyl-cysteine|N-Acetyl-L-cysteine|NAC|Parvolex&reg;"	"SC[C@@H](C(=O)O)NC(=O)C"	"PWKSKIMOESPYIA-BYPYZUCNSA-N"	"InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1"	""	""	""
"6794"	"acetyldigitoxin"	""	"Synthetic organic"	"yes"	""	""	""	"178103400"	"5284512"	""	""	"CHEMBL3545057"	""	""	""	""	"[(2R,3R,4S,6S)-3-hydroxy-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-4-yl] acetate"	"acetyldigitoxin"	"acetyldiginatin|Acylanid&reg;|alpha-acetyldigitoxin"	"CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@H]1O)C"	"HPMZBILYSWLILX-UMDUKNJSSA-N"	"InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1"	""	""	""
"4520"	"acetyl-L-carnitine"	""	"Metabolite"	""	""	""	""	"178101245"	"7045767"	""	""	""	""	""	""	""	"(3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate"	""	"(-)-Acetylcarnitine|ALCAR|L-Acetylcarnitine|Levocarnitine acetyl|O-Acetyl-L-carnitine"	"[O-]C(=O)C[C@H](C[N+](C)(C)C)OC(=O)C"	"RDHQFKQIGNGIED-MRVPVSSYSA-N"	"InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1"	""	""	""
"2753"	"acetyl-podocarpic dimer"	""	"Synthetic organic"	""	""	""	""	"135649888"	"9830426"	""	""	"CHEMBL506838"	""	""	""	""	"[(1S,4aS,10aR)-6-acetyloxy-1,4a-dimethyl2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl] (1S,4aS,10aR)-6-acetyloxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate"	""	"acetyl podocarpic acid anhydride|APD"	"CC(=O)Oc1ccc2c(c1)[C@@]1(C)CCC[C@]([C@@H]1CC2)(C)C(=O)OC(=O)[C@@]1(C)CCC[C@]2([C@H]1CCc1c2cc(cc1)OC(=O)C)C"	"OUJQRQRBNRGQTC-SPGSYPTKSA-N"	"InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38+/m1/s1"	""	""	""
"625"	"Ac-GRP-(20-26)-methylester"	""	"Peptide"	""	""	""	""	"135652319"	"0"	""	""	""	""	""	""	""	""	""	"N-acetyl-GRP-(20-26)-ethylester"	""	""	""	""	""	""
"10074"	"AChE reactivator 2"	""	"Synthetic organic"	""	""	""	""	"375973261"	"137300688"	""	""	""	""	""	""	""	""	""	""	"O/N=C\c1nc(CCCCNc2c3CCCCc3[nH+]c3c2cc(Cl)cc3)ccc1O"	"AEGVBHAVNJPGMI-WGARJPEWSA-O"	"InChI=1S/C23H25ClN4O2/c24-15-8-10-20-18(13-15)23(17-6-1-2-7-19(17)28-20)25-12-4-3-5-16-9-11-22(29)21(27-16)14-26-30/h8-11,13-14,29-30H,1-7,12H2,(H,25,28)/p+1/b26-14-"	""	""	""
"2263"	"[Ac-His<sup>1</sup>]PACAP-27"	""	"Peptide"	""	""	""	""	"53801015"	"0"	""	""	""	""	""	""	""	""	""	"[Ac-His<sup>1</sup>]pituitary adenylate cyclase activating polypeptide-27"	""	""	""	""	""	""
"1290"	"Ac-hMCH-(6-16)-NH2"	""	"Peptide"	""	""	""	""	"135651969"	"0"	""	""	""	""	""	""	""	""	""	"hAc-MCH(6-16)-NH2|human Ac-MCH<sub>6-16</sub>-NH2"	""	""	""	""	""	""
"13333"	"ACHN-975"	""	"Synthetic organic"	""	""	""	""	"496703303"	"71466517"	""	""	"CHEMBL3939284"	""	""	""	""	"N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzamide"	""	""	"CC(C)([C@@H](C(=O)NO)NC(=O)C1=CC=C(C=C1)C#CC#C[C@@H]2C[C@H]2CO)N"	"GOCUUDXEOKIQRU-IXDOHACOSA-N"	"InChI=1S/C20H23N3O4/c1-20(2,21)17(19(26)23-27)22-18(25)14-9-7-13(8-10-14)5-3-4-6-15-11-16(15)12-24/h7-10,15-17,24,27H,11-12,21H2,1-2H3,(H,22,25)(H,23,26)/t15-,16+,17-/m1/s1"	""	""	"yes"
"4829"	"aciclovir"	""	"Synthetic organic"	"yes"	""	""	""	"178101531"	"135398513"	""	""	"CHEMBL184"	""	""	""	""	""	"aciclovir"	"acyclovir|Zovirax&reg;"	"OCCOCn1cnc2c1nc(N)[nH]c2=O"	"MKUXAQIIEYXACX-UHFFFAOYSA-N"	"InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)"	""	""	""
"1595"	"acifran"	""	"Synthetic organic"	""	""	""	""	"135649889"	"51576"	""	""	"CHEMBL278488"	""	""	""	""	"5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid"	"acifran"	"AY-25712|D02753|reductol"	"OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1"	"DFDGRKNOFOJBAJ-UHFFFAOYSA-N"	"InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)"	""	""	""
"1596"	"acipimox"	""	"Synthetic organic"	"yes"	""	""	""	"135649890"	"5310993"	""	""	"CHEMBL345714"	""	""	""	""	"5-methyl-4-oxidopyrazin-4-ium-2-carboxylic acid"	"acipimox"	"Olbetam&reg;"	"[O-][n+]1cc(ncc1C)C(=O)O"	"DJQOOSBJCLSSEY-UHFFFAOYSA-N"	"InChI=1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H,9,10)"	""	""	""
"7598"	"acitretin"	""	"Synthetic organic"	"yes"	""	""	""	"223365933"	"5284513"	""	""	"CHEMBL1131"	""	""	""	""	"(2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid"	"acitretin"	"Ro-101670000|Soriatane&reg;"	"COc1cc(C)c(c(c1C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C"	"IHUNBGSDBOWDMA-AQFIFDHZSA-N"	"InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+"	""	""	""
"11402"	"acivicin"	""	"Synthetic organic"	""	""	""	""	"440816771"	"294641"	""	""	"CHEMBL1231101"	""	""	""	""	"(2S)-2-amino-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid"	"acivicin"	"AT-125|AT125|U 42,126|U-42,126|U-42126"	"N[C@H](C(=O)O)[C@@H]1CC(=NO1)Cl"	"QAWIHIJWNYOLBE-OKKQSCSOSA-N"	"InChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1"	""	""	""
"8300"	"aclerastide"	""	"Peptide"	""	""	""	""	"252166512"	"0"	""	""	""	""	""	""	""	""	"aclerastide"	"DSC-127|DSC127|NorLeu<sup>3</sup>-A(1-7)"	""	""	""	""	""	""
"7449"	"aclidinium"	""	"Synthetic organic"	"yes"	""	""	""	"178104021"	"11434515"	""	""	"CHEMBL1194325"	""	""	""	""	"[(8R)-1-[3-(phenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-8-yl] 2-hydroxy-2,2-di(thiophen-2-yl)acetate"	"aclidinium bromide"	"LAS W-330|LAS-34273|Tudorza Pressair&reg;"	"O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2"	"ASMXXROZKSBQIH-VITNCHFBSA-N"	"InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1"	""	""	""
"12097"	"acloproxalap"	""	"Synthetic organic"	""	""	""	""	"472319219"	"117758222"	""	""	""	""	""	""	""	"2-(3-aminoquinolin-2-yl)propan-2-ol"	"acloproxalap"	"Compound 5 [WO2020223685A1]"	"Nc1c(nc2ccccc2c1)C(C)(C)O"	"NOFRQDXKZDAYGB-UHFFFAOYSA-N"	"InChI=1S/C12H14N2O/c1-12(2,15)11-9(13)7-8-5-3-4-6-10(8)14-11/h3-7,15H,13H2,1-2H3"	""	""	""
"651"	"Ac-Lys-[MeAla<sup>6</sup>,Leu<sup>8</sup>,des-Arg<sup>9</sup>]bradykinin"	""	"Peptide"	""	""	""	""	"135651970"	"0"	""	""	""	""	""	""	""	""	""	"<i>N</i>-acetylated-[Lys,MeAla<sup>6</sup>,Leu<sup>8</sup>,des-Arg<sup>9</sup>]bradykinin|Ac-[MeAla<sup>6</sup>,Leu<sup>8</sup>,des-Arg<sup>9</sup>]kallidin"	""	""	""	""	""	""
"4343"	"acoltremon"	""	"Synthetic organic"	"yes"	""	""	""	"178101160"	"11266244"	""	""	"CHEMBL2441929"	""	""	""	""	"(1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide"	"acoltremon"	"AR-15512|AR15512|AVX-012|Tryptyr&reg;|WS 12|WS-12"	"COc1ccc(cc1)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C"	"HNSGVPAAXJJOPQ-XOKHGSTOSA-N"	"InChI=1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)18(20)19-14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)/t13-,16+,17-/m1/s1"	""	""	""
"2617"	"aconitine"	""	"Natural product"	""	""	""	""	"135652663"	"245005"	""	""	"CHEMBL1979562"	""	""	""	""	"(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-(acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl benzoate"	""	""	"COC[C@@]12CN(CC)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)OC(=O)C)[C@H](C[C@H]1O)OC"	"XFSBVAOIAHNAPC-XTHSEXKGSA-N"	"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1"	""	""	""
"10753"	"acorafloxacin"	""	"Synthetic organic"	""	""	""	""	"405560194"	"11546234"	""	""	"CHEMBL1257096"	""	""	""	""	"7-[(3E)-3-(2-amino-1-fluoroethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid"	"acorafloxacin"	"avarofloxacin (former name)|JNJ-Q2|JNJQ2"	"NC/C(=C\1/CCCN(C1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1)/F"	"VMKVDAAFMQKZJS-LFIBNONCSA-N"	"InChI=1S/C21H23F2N3O4/c1-30-20-17-13(19(27)14(21(28)29)10-26(17)12-4-5-12)7-15(22)18(20)25-6-2-3-11(9-25)16(23)8-24/h7,10,12H,2-6,8-9,24H2,1H3,(H,28,29)/b16-11+"	""	""	"yes"
"13628"	"acoramidis"	""	"Synthetic organic"	"yes"	""	""	""	"504705447"	"71464713"	""	""	"CHEMBL3940890"	""	""	""	""	"3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid"	"acoramidis"	"AG-10|AG10|Attruby&reg;|Beyonttra&reg;"	"CC1=C(C(=NN1)C)CCCOC2=C(C=CC(=C2)C(=O)O)F"	"WBFUHHBPNXWNCC-UHFFFAOYSA-N"	"InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)"	""	""	""
"3853"	"AcPhe-Orn-Pro-D-Cha-Trp-Arg"	""	"Peptide"	""	""	""	""	"178100692"	"0"	""	""	""	""	""	""	""	""	""	"AcF[OP-D-Cha-Wr]"	""	""	""	""	""	""
"6191"	"Ac-Phe-Trp-Ala-His(&tau;BZL)-Nip-Gly-Arg-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"178102812"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1408"	"ACPT-I"	""	"Synthetic organic"	""	""	""	""	"135649891"	"6604820"	""	""	"CHEMBL285043"	""	""	""	""	""	""	"1-aminocyclopentane-1,3,4-tricarboxylic acid"	"OC(=O)[C@@H]1C[C@](C[C@@H]1C(=O)O)(N)C(=O)O"	"FERIKTBTNCSGJS-KIGHRTHISA-N"	"InChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8-"	""	""	""
"2076"	"ACQ090"	""	"Synthetic organic"	""	""	""	""	"135650751"	"11443899"	""	""	""	""	""	""	""	"[(4S,4aS,8aR)-2-[3-(6-methoxypyridin-3-yl)-2-methylpropyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-4-yl]-[4-(3,4-difluorophenyl)piperazin-1-yl]methanone"	""	"NVP ACQ090"	"COc1ccc(cn1)CC(CN1C[C@@H]2CCCC[C@@H]2[C@@H](C1)C(=O)N1CCN(CC1)c1ccc(c(c1)F)F)C"	"RDSAUPRYZCQORM-RIVQXRJNSA-N"	"InChI=1S/C30H40F2N4O2/c1-21(15-22-7-10-29(38-2)33-17-22)18-34-19-23-5-3-4-6-25(23)26(20-34)30(37)36-13-11-35(12-14-36)24-8-9-27(31)28(32)16-24/h7-10,16-17,21,23,25-26H,3-6,11-15,18-20H2,1-2H3/t21?,23-,25-,26+/m0/s1"	""	""	""
"8380"	"Ac-RHYPLWR"	""	"Peptide"	""	""	""	""	"252166592"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"12782"	"acrizanib"	""	"Synthetic organic"	""	""	""	""	"483123330"	"59394698"	""	""	"CHEMBL4076112"	""	""	""	""	"5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide"	"acrizanib"	"compound 35 [PMID: 29400470]|LHA-510|LHA510"	"O=C(NC=1C=C(C(F)(F)F)N(N1)C)N2C=CC3=C2C=CC(=C3)OC4=NC=NC(CNC)=C4"	"XPIHPLVWOUDMPF-UHFFFAOYSA-N"	"InChI=1S/C20H18F3N7O2/c1-24-10-13-8-18(26-11-25-13)32-14-3-4-15-12(7-14)5-6-30(15)19(31)27-17-9-16(20(21,22)23)29(2)28-17/h3-9,11,24H,10H2,1-2H3,(H,27,28,31)"	""	""	""
"2418"	"acrolein"	""	"Synthetic organic"	""	""	""	""	"135649892"	"7847"	""	""	"CHEMBL721"	""	""	""	""	"prop-2-enal"	""	"propenal"	"C=CC=O"	"HGINCPLSRVDWNT-UHFFFAOYSA-N"	"InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2"	""	""	""
"4553"	"acrylamide"	""	"Synthetic organic"	""	""	""	""	"178101274"	"6579"	""	""	"CHEMBL348107"	""	""	""	""	"prop-2-enamide"	""	""	"NC(=O)C=C"	"HRPVXLWXLXDGHG-UHFFFAOYSA-N"	"InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)"	""	""	""
"1679"	"Ac-RYYRIK-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"135651971"	"9963005"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O"	"WBBBVZGQADABSU-RERZDIOCSA-N"	"InChI=1S/C44H70N14O9/c1-4-25(2)36(42(67)54-31(37(46)62)9-5-6-20-45)58-39(64)33(11-8-22-52-44(49)50)55-40(65)34(23-27-12-16-29(60)17-13-27)57-41(66)35(24-28-14-18-30(61)19-15-28)56-38(63)32(53-26(3)59)10-7-21-51-43(47)48/h12-19,25,31-36,60-61H,4-11,20-24,45H2,1-3H3,(H2,46,62)(H,53,59)(H,54,67)(H,55,65)(H,56,63)(H,57,66)(H,58,64)(H4,47,48,51)(H4,49,50,52)/t25-,31-,32-,33-,34-,35-,36-/m0/s1"	""	""	""
"1680"	"Ac-RYYRWK-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"135651972"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10060"	"Ac-SDKP"	""	"Peptide"	""	""	""	""	"375973248"	"65938"	""	""	""	""	""	""	""	"(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid"	""	"goralatide|seraspenide"	"NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CO)CC(=O)O"	"HJDRXEQUFWLOGJ-AJNGGQMLSA-N"	"InChI=1S/C20H33N5O9/c1-11(27)22-14(10-26)18(31)24-13(9-16(28)29)17(30)23-12(5-2-3-7-21)19(32)25-8-4-6-15(25)20(33)34/h12-15,26H,2-10,21H2,1H3,(H,22,27)(H,23,30)(H,24,31)(H,28,29)(H,33,34)/t12-,13-,14-,15-/m0/s1"	"yes"	""	""
"12599"	"Ac-[<sup>13</sup>C,<sup>15</sup>N]PGP"	""	"Peptide"	""	""	"yes"	"yes"	"479821389"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"13291"	"ACT001"	""	"Synthetic organic"	""	""	""	""	"496703261"	"52939461"	""	""	"CHEMBL2220079"	""	""	""	""	"(3R,3aS,9R,9aS,9bS)-3-[(dimethylamino)methyl]-9-hydroxy-6,9-dimethyl-3,3a,4,5,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one"	""	"ACT-001"	"[H][C@@]12[C@H]3OC(=O)[C@@H](CN(C)C)[C@@H]3CCC(C)=C1CC[C@@]2(C)O"	"ZPBIJIIQXPRJSS-WNZSCWOMSA-N"	"InChI=1S/C17H27NO3/c1-10-5-6-12-13(9-18(3)4)16(19)21-15(12)14-11(10)7-8-17(14,2)20/h12-15,20H,5-9H2,1-4H3/t12-,13-,14-,15-,17+/m0/s1"	""	""	""
"12326"	"ACT-1014-6470"	""	"Synthetic organic"	""	""	""	""	"479821117"	"142620206"	""	""	""	""	""	""	""	"2-(2,2-difluoropropyl)-5-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-7-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrazolo[3,4-d]pyrimidin-6-one"	""	"example 172 [WO2019137927A1]|Ic-58"	"FC(Cn1nc2N(C(=O)N(Cc2c1)C1CCN(CC1)c1c(cccc1C)F)Cc1c(cccc1)C(F)(F)F)(C)F"	"YPWBQOVYMUEXJT-UHFFFAOYSA-N"	"InChI=1S/C28H29F6N5O/c1-18-6-5-9-23(29)24(18)36-12-10-21(11-13-36)38-16-20-14-37(17-27(2,30)31)35-25(20)39(26(38)40)15-19-7-3-4-8-22(19)28(32,33)34/h3-9,14,21H,10-13,15-17H2,1-2H3"	"yes"	""	""
"13337"	"ACT-1016-0707"	""	"Synthetic organic"	""	""	""	""	"496703307"	"155412853"	""	""	""	""	""	""	""	"N-(6-chloro-4-methoxypyridin-3-yl)-3-(2-propan-2-ylphenyl)-1-sulfamoylazetidine-3-carboxamide"	""	"compound 49 [PMID: 38349250]"	"CC(C)C1=CC=CC=C1C2(CN(C2)S(=O)(=O)N)C(=O)NC3=CN=C(C=C3OC)Cl"	"UHFBJBPMIVQTBG-UHFFFAOYSA-N"	"InChI=1S/C19H23ClN4O4S/c1-12(2)13-6-4-5-7-14(13)19(10-24(11-19)29(21,26)27)18(25)23-15-9-22-17(20)8-16(15)28-3/h4-9,12H,10-11H2,1-3H3,(H,23,25)(H2,21,26,27)"	""	""	""
"9122"	"ACT-335827"	""	"Synthetic organic"	""	""	""	""	"315661207"	"54765113"	""	""	"CHEMBL2413367"	""	""	""	""	"(2R)-2-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-N-propan-2-ylacetamide"	""	"ACT 335827|compound 9 [PMID: 23589487]"	"COc1cc(ccc1OC)C[C@H]1c2cc(OC)c(cc2CCN1[C@H](c1ccccc1)C(=O)NC(C)C)OC"	"HXHOBPVRRPCTLG-SETSBSEESA-N"	"InChI=1S/C31H38N2O5/c1-20(2)32-31(34)30(22-10-8-7-9-11-22)33-15-14-23-18-28(37-5)29(38-6)19-24(23)25(33)16-21-12-13-26(35-3)27(17-21)36-4/h7-13,17-20,25,30H,14-16H2,1-6H3,(H,32,34)/t25-,30+/m0/s1"	""	""	""
"9511"	"ACT-389949"	""	"Synthetic organic"	""	""	""	""	"329968450"	"49834265"	""	""	""	""	""	""	""	"N-(2-{[4-(1,1-difluoroethyl)-1,3-oxazol-2-yl]methyl}-2H-1,2,3-triazol-4-yl)-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide"	""	""	"Cc1cccc(c1)c1oc(nc1C(=O)Nc1cnn(n1)Cc1occ(n1)C(F)(F)C)C"	"PBTWPEDVIMHJEO-UHFFFAOYSA-N"	"InChI=1S/C20H18F2N6O3/c1-11-5-4-6-13(7-11)18-17(24-12(2)31-18)19(29)26-15-8-23-28(27-15)9-16-25-14(10-30-16)20(3,21)22/h4-8,10H,9H2,1-3H3,(H,26,27,29)"	"yes"	""	""
"10022"	"ACT-451840"	""	"Synthetic organic"	""	""	""	""	"375973212"	"53303762"	""	""	""	""	""	""	""	"(E)-N-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl]-3-(4-tert-butylphenyl)-N-[(2S)-1-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide"	""	"ACT451840|Actelion-451840"	"N#Cc1ccc(cc1)CN1CCN(CC1)C(=O)[C@@H](N(C(=O)/C=C/c1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)N1CCN(CC1)C(=O)C)Cc1ccccc1"	"BQZUYCCCNXOADJ-TVNMEPFQSA-N"	"InChI=1S/C47H54N6O3/c1-36(54)50-28-30-51(31-29-50)43-21-16-41(17-22-43)35-53(45(55)23-18-37-14-19-42(20-15-37)47(2,3)4)44(32-38-8-6-5-7-9-38)46(56)52-26-24-49(25-27-52)34-40-12-10-39(33-48)11-13-40/h5-23,44H,24-32,34-35H2,1-4H3/b23-18+/t44-/m0/s1"	""	"yes"	""
"9303"	"ACT-462206"	""	"Synthetic organic"	""	""	""	""	"318164822"	"40924317"	""	""	""	""	""	""	""	"(2S)-N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide"	""	"compound 24 [PMID: 25147058]"	"COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C)cc(c1)C"	"NHPQGZOBHSVTAQ-IBGZPJMESA-N"	"InChI=1S/C20H24N2O4S/c1-14-11-15(2)13-16(12-14)21-20(23)19-5-4-10-22(19)27(24,25)18-8-6-17(26-3)7-9-18/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,21,23)/t19-/m0/s1"	""	""	""
"12207"	"ACT-660602"	""	"Synthetic organic"	""	""	""	""	"472319327"	"87056189"	""	""	""	""	""	""	""	"2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(2R)-2-methyl-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone"	""	"ACT660602|compound 9j [PMID: 35947786]"	"C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1c(c2cnc(C(F)(F)F)nc2)nc(C(F)(F)F)s1"	"JENUMEXEVAAAJX-SNVBAGLBSA-N"	"InChI=1S/C20H20F6N8OS/c1-10-8-32(4-5-33(10)14(35)9-34-12(3)29-11(2)31-34)16-15(30-18(36-16)20(24,25)26)13-6-27-17(28-7-13)19(21,22)23/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m1/s1"	"yes"	""	""
"12647"	"ACT-709478"	""	"Synthetic organic"	""	""	""	""	"483123195"	"118560618"	""	""	""	""	""	""	""	""	""	"ACT709478|compound 66b [PMID: 29116786]|NBI-827104|NBI827104"	"C1CC1(C2=CC=C(C=C2)CC(=O)NC3=NN(C=C3)CC4=NC=C(C=C4)C#N)C(F)(F)F"	"LSYANGLAZUZYFX-UHFFFAOYSA-N"	"InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)"	""	""	""
"12584"	"ACT-777991"	""	"Synthetic organic"	""	""	""	""	"479821374"	"121485701"	""	""	""	""	""	""	""	"1-[(2R)-2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]-2-(3-methyl-1,2,4-triazol-1-yl)ethanone"	""	"ACT777991|compound 8a [PMID: 36883854]"	"CC1=NN(C=N1)CC(=O)N2CCN(C[C@H]2CCO)C3=C(N=C(S3)C(F)(F)F)C4=CN=C(N=C4)C(F)(F)F"	"FDZFVXKCJKOSRC-CYBMUJFWSA-N"	"InChI=1S/C20H20F6N8O2S/c1-11-29-10-33(31-11)9-14(36)34-4-3-32(8-13(34)2-5-35)16-15(30-18(37-16)20(24,25)26)12-6-27-17(28-7-12)19(21,22)23/h6-7,10,13,35H,2-5,8-9H2,1H3/t13-/m1/s1"	"yes"	""	""
"3633"	"ACTH"	"Human"	"Peptide"	"yes"	""	""	""	"135651598"	"134611880"	"P01189"	"ENSG00000115138"	"CHEMBL1201610"	""	""	""	""	""	"corticotropin"	"Acthar&reg;|adrenocorticotropic hormone (1-39)|corticotropin"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCC(=O)O)CC(C)C)Cc1ccccc1)C)CCC(=O)O)C)CO)CCC(=O)O)CC(=O)O)CCC(=O)O)C)CC(=O)N)Cc1ccc(cc1)O)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)Cc1ccc(cc1)O)CO)CCSC)CCC(=O)O)Cc1nc[nH]c1)Cc1ccccc1)CCCN=C(N)N)CCCCN)CCCCN)CCCCN)CCCN=C(N)N)CCCN=C(N)N"	"IDLFZVILOHSSID-OVLDLUHVSA-N"	"InChI=1S/C207H308N56O58S/c1-108(2)89-140(186(302)240-135(69-74-163(279)280)182(298)254-149(204(320)321)94-117-43-20-15-21-44-117)250-193(309)152-54-35-86-262(152)202(318)147(92-116-41-18-14-19-42-116)252-171(287)114(11)230-175(291)132(66-71-160(273)274)234-170(286)113(10)231-191(307)150(105-265)255-183(299)136(70-75-164(281)282)241-190(306)146(98-165(283)284)249-180(296)133(67-72-161(275)276)235-169(285)112(9)229-157(270)101-225-174(290)145(97-156(213)269)251-194(310)153-55-36-87-263(153)203(319)148(93-119-60-64-123(268)65-61-119)253-199(315)167(110(5)6)257-185(301)129(49-26-30-79-210)243-198(314)168(111(7)8)259-196(312)155-57-38-85-261(155)201(317)139(53-34-83-223-207(218)219)244-178(294)130(51-32-81-221-205(214)215)237-177(293)128(48-25-29-78-209)236-176(292)127(47-24-28-77-208)232-158(271)103-227-197(313)166(109(3)4)258-195(311)154-56-37-84-260(154)200(316)138(50-27-31-80-211)233-159(272)102-226-173(289)143(95-120-99-224-126-46-23-22-45-124(120)126)247-179(295)131(52-33-82-222-206(216)217)238-187(303)142(90-115-39-16-13-17-40-115)246-189(305)144(96-121-100-220-107-228-121)248-181(297)134(68-73-162(277)278)239-184(300)137(76-88-322-12)242-192(308)151(106-266)256-188(304)141(245-172(288)125(212)104-264)91-118-58-62-122(267)63-59-118/h13-23,39-46,58-65,99-100,107-114,125,127-155,166-168,224,264-268H,24-38,47-57,66-98,101-106,208-212H2,1-12H3,(H2,213,269)(H,220,228)(H,225,290)(H,226,289)(H,227,313)(H,229,270)(H,230,291)(H,231,307)(H,232,271)(H,233,272)(H,234,286)(H,235,285)(H,236,292)(H,237,293)(H,238,303)(H,239,300)(H,240,302)(H,241,306)(H,242,308)(H,243,314)(H,244,294)(H,245,288)(H,246,305)(H,247,295)(H,248,297)(H,249,296)(H,250,309)(H,251,310)(H,252,287)(H,253,315)(H,254,298)(H,255,299)(H,256,304)(H,257,301)(H,258,311)(H,259,312)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,320,321)(H4,214,215,221)(H4,216,217,222)(H4,218,219,223)/t112-,113-,114-,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,166-,167-,168-/m0/s1"	"yes"	""	""
"1331"	"ACTH"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651599"	"0"	"P01194|P01193"	"ENSRNOG00000012686|ENSMUSG00000020660"	""	""	""	""	""	""	""	"ACTH (1-39)|adrenocorticotrophin|adrenocorticotropic hormone (1-39)|corticotropin"	""	""	""	""	""	""
"1332"	"ACTH-(11-24)"	""	"Peptide"	""	""	""	""	"135651973"	"3037130"	""	""	""	""	""	""	""	""	""	"ACTH (11-24)|adrenocorticotropic hormone (11-24)"	"CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O"	"WNXWTCYVIHOQAJ-IOSGZJLWSA-N"	"InChI=1S/C77H134N24O16/c1-44(2)60(97-67(108)56-26-17-39-99(56)72(113)49(82)20-7-11-33-78)69(110)89-43-59(103)90-50(21-8-12-34-79)63(104)91-51(22-9-13-35-80)64(105)92-53(24-15-37-87-76(83)84)65(106)94-54(25-16-38-88-77(85)86)73(114)100-40-18-27-57(100)68(109)98-62(46(5)6)70(111)93-52(23-10-14-36-81)66(107)96-61(45(3)4)71(112)95-55(42-47-29-31-48(102)32-30-47)74(115)101-41-19-28-58(101)75(116)117/h29-32,44-46,49-58,60-62,102H,7-28,33-43,78-82H2,1-6H3,(H,89,110)(H,90,103)(H,91,104)(H,92,105)(H,93,111)(H,94,106)(H,95,112)(H,96,107)(H,97,108)(H,98,109)(H,116,117)(H4,83,84,87)(H4,85,86,88)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,60-,61-,62-/m0/s1"	""	""	""
"1330"	"ACTH-(1-24)"	""	"Peptide"	""	""	""	""	"135651974"	"129627786"	""	""	""	""	""	""	""	""	""	"ACTH (1-24)|adrenocorticotropic hormone (1-24)"	"CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C)C(C)C"	"ZOEFCCMDUURGSE-SQKVDDBVSA-N"	"InChI=1S/C136H210N40O31S/c1-75(2)109(127(200)154-71-106(181)156-88(31-13-17-52-137)114(187)158-89(32-14-18-53-138)115(188)159-91(35-21-56-149-134(142)143)116(189)164-96(37-23-58-151-136(146)147)131(204)175-60-25-39-104(175)126(199)173-111(77(5)6)128(201)163-90(33-15-19-54-139)120(193)171-110(76(3)4)129(202)169-101(65-80-43-47-84(180)48-44-80)132(205)176-61-26-40-105(176)133(206)207)172-125(198)103-38-24-59-174(103)130(203)95(34-16-20-55-140)157-107(182)70-153-113(186)99(66-81-68-152-87-30-12-11-29-85(81)87)167-117(190)92(36-22-57-150-135(144)145)160-121(194)98(63-78-27-9-8-10-28-78)166-123(196)100(67-82-69-148-74-155-82)168-118(191)93(49-50-108(183)184)161-119(192)94(51-62-208-7)162-124(197)102(73-178)170-122(195)97(165-112(185)86(141)72-177)64-79-41-45-83(179)46-42-79/h8-12,27-30,41-48,68-69,74-77,86,88-105,109-111,152,177-180H,13-26,31-40,49-67,70-73,137-141H2,1-7H3,(H,148,155)(H,153,186)(H,154,200)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,194)(H,161,192)(H,162,197)(H,163,201)(H,164,189)(H,165,185)(H,166,196)(H,167,190)(H,168,191)(H,169,202)(H,170,195)(H,171,193)(H,172,198)(H,173,199)(H,183,184)(H,206,207)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)/t86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,109-,110-,111-/m0/s1"	""	""	""
"14496"	"actinonin"	""	"Natural product"	""	""	""	""	"528429817"	"443600"	""	""	"CHEMBL308333"	""	""	""	""	"(2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide"	""	""	"CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO"	"XJLATMLVMSFZBN-VYDXJSESSA-N"	"InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1"	""	""	"yes"
"4857"	"activin A"	"Human"	"Peptide"	""	""	""	""	"178101558"	"0"	"P08476"	"ENSG00000122641"	""	"5006"	"inhibin &beta;A"	"P08476"	"ENSG00000122641"	""	""	""	""	""	""	""	""	""
"4858"	"activin AB"	"Human"	"Peptide"	""	""	""	""	"178101559"	"0"	"P08476|P09529"	"ENSG00000122641|ENSG00000163083"	""	"5006|5007"	"inhibin &beta;A|inhibin &beta;B"	"P08476|P09529"	"ENSG00000122641|ENSG00000163083"	""	""	""	""	""	""	""	""	""
"4859"	"activin B"	"Human"	"Peptide"	""	""	""	""	"178101560"	"0"	"P09529"	"ENSG00000163083"	""	"5007"	"inhibin &beta;B"	"P09529"	"ENSG00000163083"	""	""	""	""	""	""	""	""	""
"1125"	"[Ac-Tyr<sup>1</sup>, D-Arg<sup>2</sup>]GHRH-(1-29)-NH<sub>2</sub> (human)"	""	"Peptide"	""	""	""	""	"135651975"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9203"	"acumapimod"	""	"Synthetic organic"	""	""	""	""	"315661279"	"11338127"	""	""	""	""	""	""	""	"3-[5-amino-4-(3-cyanobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide"	"acumapimod"	"BCT 197|BCT-197|BCT197|compound A [WO2013139809]"	"N#Cc1cccc(c1)C(=O)c1cnn(c1N)c1cc(ccc1C)C(=O)NC1CC1"	"VGUSQKZDZHAAEE-UHFFFAOYSA-N"	"InChI=1S/C22H19N5O2/c1-13-5-6-16(22(29)26-17-7-8-17)10-19(13)27-21(24)18(12-25-27)20(28)15-4-2-3-14(9-15)11-23/h2-6,9-10,12,17H,7-8,24H2,1H3,(H,26,29)"	"yes"	""	""
"8566"	"Ac-VEID-CHO"	""	"Synthetic organic"	""	""	""	""	"252166767"	"15487887"	""	""	"CHEMBL478081"	""	""	""	""	"(4S)-4-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid"	""	"acetyl-Val-Ile-Asp-aldehyde"	"O=C[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)C)CCC(=O)O)CC(=O)O"	"KYUFGGNCJRWMDN-GOYXDOSHSA-N"	"InChI=1S/C22H36N4O9/c1-6-12(4)19(22(35)24-14(10-27)9-17(31)32)26-20(33)15(7-8-16(29)30)25-21(34)18(11(2)3)23-13(5)28/h10-12,14-15,18-19H,6-9H2,1-5H3,(H,23,28)(H,24,35)(H,25,34)(H,26,33)(H,29,30)(H,31,32)/t12-,14-,15-,18-,19-/m0/s1"	""	""	""
"11120"	"ACY-738"	""	"Synthetic organic"	""	""	""	""	"434122180"	"57381425"	""	""	"CHEMBL3655950"	""	""	""	""	""	""	"example 73 [WO2012068109A2]"	"ONC(=O)c1cnc(nc1)NC1(CC1)c1ccccc1"	"LIIWIMDSZVNYHY-UHFFFAOYSA-N"	"InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)"	""	""	""
"13696"	"acyl-CoA-binding protein"	"Human"	"Peptide"	""	""	""	""	"507750330"	"0"	"P07108"	"ENSG00000155368"	""	""	""	""	""	""	""	"endozepine"	""	""	""	""	""	""
"13835"	"AD015"	""	"Synthetic organic"	""	""	""	""	"513757520"	"44321610"	""	""	"CHEMBL315037"	""	""	""	""	"(2S,5R)-1-(((S)-2-Mercapto-3-phenylpropanoyl)glycyl)-5-(p-tolyl)pyrrolidine-2-carboxylic Acid"	""	""	"S[C@H](C(=O)NCC(=O)N1[C@@H](CC[C@@H]1C2=CC=C(C=C2)C)C(=O)O)CC3=CC=CC=C3"	"LQAZEFOQORVDKT-AABGKKOBSA-N"	"InChI=1S/C23H26N2O4S/c1-15-7-9-17(10-8-15)18-11-12-19(23(28)29)25(18)21(26)14-24-22(27)20(30)13-16-5-3-2-4-6-16/h2-10,18-20,30H,11-14H2,1H3,(H,24,27)(H,28,29)/t18-,19+,20+/m1/s1"	""	""	""
"14541"	"AD05"	""	"Synthetic organic"	""	""	""	""	"528429862"	"178342684"	""	""	""	""	""	""	""	""	""	""	"[C@H](NC(=O)C=1N=C(Cl)SC1)(CC(C)C)C(=O)N[C@@H](C[C@H]2C(=O)NCC2)C=O"	"UQSUDXXYVNIGKR-SRVKXCTJSA-N"	"InChI=1S/C17H23ClN4O4S/c1-9(2)5-12(21-16(26)13-8-27-17(18)22-13)15(25)20-11(7-23)6-10-3-4-19-14(10)24/h7-12H,3-6H2,1-2H3,(H,19,24)(H,20,25)(H,21,26)/t10-,11-,12-/m0/s1"	""	""	""
"2663"	"AD-5061"	""	"Synthetic organic"	""	""	""	""	"135649895"	"9953271"	""	""	"CHEMBL59132"	""	""	""	""	"5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione"	""	"AD 5061|AD 7057|AD-7057|AD5061|AD7057"	"O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1"	"GUTCYOKMCPFRGH-UHFFFAOYSA-N"	"InChI=1S/C22H20N2O4S/c1-14-18(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-19-20(25)24-22(26)29-19/h2-10,19H,11-13H2,1H3,(H,24,25,26)"	""	""	""
"2701"	"AD5075"	""	"Synthetic organic"	""	""	""	""	"135649896"	"128440"	""	""	"CHEMBL88496"	""	""	""	""	"5-[[4-[2-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione"	""	"AD 5075|AD-5075"	"O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC(c1nc(oc1C)c1ccccc1)O"	"YVQKIDLSVHRBGZ-UHFFFAOYSA-N"	"InChI=1S/C22H20N2O5S/c1-13-19(23-21(29-13)15-5-3-2-4-6-15)17(25)12-28-16-9-7-14(8-10-16)11-18-20(26)24-22(27)30-18/h2-10,17-18,25H,11-12H2,1H3,(H,24,26,27)"	""	""	""
"10888"	"adagrasib"	""	"Synthetic organic"	"yes"	""	""	""	"405560329"	"138611145"	""	""	""	""	""	""	""	""	"adagrasib"	"compound 20 [PMID: 32250617]|Krazati&reg;|MRTX-849|MRTX849"	"N#CC[C@H]1CN(CCN1C(=O)C(=C)F)c1nc(OC[C@@H]2CCCN2C)nc2c1CCN(C2)c1cccc2c1c(Cl)ccc2"	"PEMUGDMSUDYLHU-ZEQRLZLVSA-N"	"InChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/t23-,24-/m0/s1"	""	""	""
"4860"	"adalimumab"	""	"Antibody"	"yes"	""	""	""	"178101561"	"0"	""	""	""	""	""	""	""	""	"adalimumab"	"D2E7|Humira&reg;"	""	""	""	"yes"	""	""
"5429"	"adapalene"	""	"Synthetic organic"	"yes"	""	""	""	"178102082"	"60164"	""	""	"CHEMBL1265"	""	""	""	""	"6-[3-(adamantan-1-yl)-4-methoxyphenyl]naphthalene-2-carboxylic acid"	"adapalene"	"Differin&reg;"	"COc1ccc(cc1C12CC3CC(C2)CC(C1)C3)c1ccc2c(c1)ccc(c2)C(=O)O"	"LZCDAPDGXCYOEH-UHFFFAOYSA-N"	"InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)"	""	""	""
"11692"	"adaptavir"	""	"Peptide"	""	""	""	""	"442878718"	"184644"	""	""	"CHEMBL181276"	""	""	""	""	""	""	"D-Ala-peptide T-amide|DAPTA"	"C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@@H](C)N)O"	"AKWRNBWMGFUAMF-ZESMOPTKSA-N"	"InChI=1S/C35H56N10O15/c1-13(36)29(54)41-22(12-46)32(57)43-26(16(4)49)34(59)45-27(17(5)50)35(60)44-25(15(3)48)33(58)40-21(11-23(37)52)30(55)39-20(10-18-6-8-19(51)9-7-18)31(56)42-24(14(2)47)28(38)53/h6-9,13-17,20-22,24-27,46-51H,10-12,36H2,1-5H3,(H2,37,52)(H2,38,53)(H,39,55)(H,40,58)(H,41,54)(H,42,56)(H,43,57)(H,44,60)(H,45,59)/t13-,14-,15-,16-,17-,20+,21+,22+,24+,25+,26+,27+/m1/s1"	""	""	""
"7702"	"adavosertib"	""	"Synthetic organic"	""	""	""	""	"223366035"	"24856436"	""	""	"CHEMBL1976040"	""	""	""	""	"1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one"	"adavosertib"	"AZD 1775|AZD-1775|AZD1775|MK-1775|MK1775"	"C=CCn1c(=O)c2c(n1c1cccc(n1)C(O)(C)C)nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C"	"BKWJAKQVGHWELA-UHFFFAOYSA-N"	"InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)"	""	""	""
"14327"	"ADB-5'F-BUTINACA"	""	"Synthetic organic"	""	""	""	""	"523352119"	"172875114"	""	""	""	""	""	""	""	"N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-butyl-5-fluoro-1H-indazole-3-carboxamide"	""	""	"CC(C)(C)C(NC(=O)C1=NN(CCCC)C2=CC=C(F)C=C12)C(=O)N"	"JORGRORAECYNOJ-UHFFFAOYSA-N"	"InChI=1S/C18H25FN4O2/c1-5-6-9-23-13-8-7-11(19)10-12(13)14(22-23)17(25)21-15(16(20)24)18(2,3)4/h7-8,10,15H,5-6,9H2,1-4H3,(H2,20,24)(H,21,25)"	""	""	""
"14328"	"ADB-BUTINACA"	""	"Synthetic organic"	""	""	""	""	"523352120"	"162787825"	""	""	""	""	""	""	""	"N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-butylindazole-3-carboxamide"	""	""	"CCCCN1N=C(C(=O)NC(C(N)=O)C(C)(C)C)C2=C1C=CC=C2"	"GPWADXHYJAZPAX-UHFFFAOYSA-N"	"InChI=1S/C18H26N4O2/c1-5-6-11-22-13-10-8-7-9-12(13)14(21-22)17(24)20-15(16(19)23)18(2,3)4/h7-10,15H,5-6,11H2,1-4H3,(H2,19,23)(H,20,24)"	""	""	""
"13085"	"adebrelimab"	""	"Antibody"	"yes"	""	""	""	"491299867"	"0"	""	""	""	""	""	""	""	""	"adebrelimab"	"Arelili&reg;|Ariely&reg;|HTI-1088|HTI1088|SHR-1316|SHR1316"	""	""	""	""	""	""
"8332"	"A(&Delta;10/15C)INSL3"	""	"Peptide"	""	""	""	""	"252166544"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4788"	"adenine"	""	"Metabolite"	""	""	""	""	"178101490"	"190"	""	""	"CHEMBL226345"	""	""	""	""	"7H-purin-6-amine"	""	""	"Nc1ncnc2c1[nH]cn2"	"GFFGJBXGBJISGV-UHFFFAOYSA-N"	"InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)"	""	""	""
"4124"	"adenophostin A"	""	"Synthetic organic"	""	""	""	""	"178100946"	"123695"	""	""	"CHEMBL204385"	""	""	""	""	"{[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-{[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis(phosphonooxy)oxan-2-yl]oxy}-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid"	""	""	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)n1cnc2c1ncnc2N"	"RENVITLQVBEFDT-MZQFDOALSA-N"	"InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1"	""	""	""
"2844"	"adenosine"	""	"Metabolite"	"yes"	""	""	""	"135651426"	"60961"	""	""	"CHEMBL477"	""	""	""	""	"(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol"	""	"Adenocard&reg;|Adenoscan&reg;"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N"	"OIRDTQYFTABQOQ-KQYNXXCUSA-N"	"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1"	""	""	""
"1718"	"adenosine-3'-5'-bisphosphate"	""	"Metabolite"	""	""	""	""	"135651420"	"159296"	""	""	"CHEMBL574817"	""	""	""	""	"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate"	""	"adenosine 3',5'-bisphosphate|adenosine 3',5'-diphosphate"	"O[C@@H]1[C@H](OP(=O)(O)O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(O)O"	"WHTCPDAXWFLDIH-KQYNXXCUSA-N"	"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1"	""	""	""
"2455"	"adenosine 5'-monophosphate"	""	"Metabolite"	""	""	""	""	"53801012"	"6083"	""	""	"CHEMBL752"	""	""	""	""	"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate"	"adenosine phosphate"	"5'-AMP|adenosine monophosphate|AMP"	"O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(O)O"	"UDMBCSSLTHHNCD-KQYNXXCUSA-N"	"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1"	""	""	""
"11068"	"ADG-207"	""	"Synthetic organic"	""	""	""	""	"405560509"	"138514843"	""	""	""	""	""	""	""	"1-(1-adamantyl)-3-(2,3-dithiophen-2-ylquinoxalin-6-yl)urea"	""	""	"O=C(NC12CC3CC(C2)CC(C1)C3)Nc1ccc2c(c1)nc(c(n2)c1cccs1)c1cccs1"	"SCPZMCCNFFWXMO-UHFFFAOYSA-N"	"InChI=1S/C27H26N4OS2/c32-26(31-27-13-16-9-17(14-27)11-18(10-16)15-27)28-19-5-6-20-21(12-19)30-25(23-4-2-8-34-23)24(29-20)22-3-1-7-33-22/h1-8,12,16-18H,9-11,13-15H2,(H2,28,31,32)"	""	""	""
"13798"	"adimanebart"	""	"Antibody"	""	""	""	""	"507750431"	"0"	""	""	""	""	""	""	""	""	"adimanebart"	""	""	""	""	""	""	""
"3726"	"adiponectin"	"Human"	"Peptide"	""	""	""	""	"135651745"	"0"	"Q15848"	"ENSG00000181092"	""	""	""	""	""	""	""	"flAdipo"	""	""	""	""	""	""
"14560"	"AdipoRon"	""	"Synthetic organic"	""	""	""	""	"530846808"	"16307093"	""	""	"CHEMBL3393145"	""	""	""	""	"2-(4-benzoylphenoxy)-N-(1-benzylpiperidin-4-yl)acetamide"	""	"compound 95 [PMID: 25122135]"	"C(C1=CC=CC=C1)(=O)C2=CC=C(OCC(=O)NC3CCN(CC3)CC4=CC=CC=C4)C=C2"	"SHHUPGSHGSNPDB-UHFFFAOYSA-N"	"InChI=1S/C27H28N2O3/c30-26(28-24-15-17-29(18-16-24)19-21-7-3-1-4-8-21)20-32-25-13-11-23(12-14-25)27(31)22-9-5-2-6-10-22/h1-14,24H,15-20H2,(H,28,30)"	""	""	""
"9003"	"ADL5747"	""	"Synthetic organic"	""	""	""	""	"310264781"	"11200189"	""	""	"CHEMBL561339"	""	""	""	""	"N,N-diethyl-3-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide"	""	"ADL 5747|ADL-5747|compound 36 [PMID: 19694468]"	"CCN(C(=O)c1ccc(c(c1)O)C1=CC2(CCNCC2)Oc2c1cccc2)CC"	"ALGHKWSXJUQNJJ-UHFFFAOYSA-N"	"InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)17-9-10-18(21(27)15-17)20-16-24(11-13-25-14-12-24)29-22-8-6-5-7-19(20)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3"	""	""	""
"9004"	"ADL5859"	""	"Synthetic organic"	""	""	""	""	"310264782"	"11417954"	""	""	"CHEMBL494480"	""	""	""	""	"N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzamide"	""	"ADL 5859|ADL-5859|compound 20 [PMID: 18788723]"	"CCN(C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2c1c(O)ccc2)CC"	"OPIKUXLJQFYMSC-UHFFFAOYSA-N"	"InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-10-8-17(9-11-18)19-16-24(12-14-25-15-13-24)29-21-7-5-6-20(27)22(19)21/h5-11,16,25,27H,3-4,12-15H2,1-2H3"	""	""	""
"9479"	"adomeglivant"	""	"Synthetic organic"	""	""	""	""	"329968419"	"91933867"	""	""	""	""	""	""	""	"3-[[4-[(1S)-1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]-4,4,4-trifluorobutyl]benzoyl]amino]propanoic acid"	"adomeglivant"	"LY-2409021|LY2409021"	"OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](Oc1cc(C)c(c(c1)C)c1ccc(cc1)C(C)(C)C)CCC(F)(F)F"	"FASLTMSUPQDLIB-MHZLTWQESA-N"	"InChI=1S/C32H36F3NO4/c1-20-18-26(19-21(2)29(20)23-10-12-25(13-11-23)31(3,4)5)40-27(14-16-32(33,34)35)22-6-8-24(9-7-22)30(39)36-17-15-28(37)38/h6-13,18-19,27H,14-17H2,1-5H3,(H,36,39)(H,37,38)/t27-/m0/s1"	""	""	""
"14609"	"adonertinib"	""	"Synthetic organic"	""	""	""	""	"530846857"	"153412159"	""	""	""	""	""	""	""	""	"adonertinib"	"compound 11 [US20190225610]"	"[2H]C([2H])([2H])N(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN4CCCC5=C4C3=CC=C5)OC"	"CLXOEYRLLVMPJB-BMSJAHLVSA-N"	"InChI=1S/C30H35N7O2/c1-6-28(38)32-24-17-25(27(39-5)18-26(24)36(4)16-15-35(2)3)34-30-31-13-12-23(33-30)22-19-37-14-8-10-20-9-7-11-21(22)29(20)37/h6-7,9,11-13,17-19H,1,8,10,14-16H2,2-5H3,(H,32,38)(H,31,33,34)/i2D3"	""	""	""
"1712"	"ADP"	""	"Metabolite"	""	""	""	""	"135651427"	"6022"	""	""	"CHEMBL14830"	""	""	""	""	"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate"	""	"adenosine diphosphate"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N"	"XTWYTFMLZFPYCI-KQYNXXCUSA-N"	"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1"	""	""	""
"14561"	"ADP355 amide"	""	"Peptide"	""	""	""	""	"530846809"	"66571167"	""	""	""	""	""	""	""	"(2R)-2-amino-N-[(2S,3S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]butanediamide"	""	"ADP 355-P-AlaNH<sub>2</sub>|ADP-355 amide|ADP355-NH2|SEQ ID NO: 6 [WO2012142142]"	"CCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@H](CO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)N[C@H](CO)C(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(=O)N)N"	"FAOICIJDRRZKCE-UBKMUEJXSA-N"	"InChI=1S/C53H80N12O14/c1-7-13-35(58-52(78)41-16-12-21-65(41)53(79)43(29(5)8-2)64-46(72)34(54)25-42(55)69)47(73)59-36(22-28(3)4)49(75)60-38(24-32-17-19-33(68)20-18-32)50(76)63-40(27-67)51(77)61-37(23-31-14-10-9-11-15-31)48(74)57-30(6)45(71)62-39(26-66)44(56)70/h9-11,14-15,17-20,28-30,34-41,43,66-68H,7-8,12-13,16,21-27,54H2,1-6H3,(H2,55,69)(H2,56,70)(H,57,74)(H,58,78)(H,59,73)(H,60,75)(H,61,77)(H,62,71)(H,63,76)(H,64,72)/t29-,30-,34+,35-,36-,37-,38-,39+,40+,41-,43-/m0/s1"	"yes"	""	""
"14562"	"ADP400"	""	"Peptide"	""	""	""	""	"530846810"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1755"	"ADP&beta;S"	""	"Synthetic organic"	""	""	""	""	"135651428"	"5310996"	""	""	"CHEMBL335206"	""	""	""	""	"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate"	""	"adenosine 5'-O-(2-thiodiphosphate)|ADPbetaS"	"O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N"	"HCIKUKNAJRJFOW-KQYNXXCUSA-N"	"InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1"	""	""	""
"2444"	"ADP ribose"	""	"Metabolite"	""	""	""	""	"135651429"	"30243"	""	""	""	""	""	""	""	"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentoxy]phosphoryl] hydrogen phosphate"	""	""	"O=C[C@@H]([C@@H]([C@@H](COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O)O)O)O"	"PWJFNRJRHXWEPT-AOOZFPJJSA-N"	"InChI=1S/C15H23N5O14P2/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(26)11(25)8(33-15)3-32-36(29,30)34-35(27,28)31-2-7(23)10(24)6(22)1-21/h1,4-8,10-12,15,22-26H,2-3H2,(H,27,28)(H,29,30)(H2,16,17,18)/t6-,7+,8+,10-,11+,12+,15+/m0/s1"	""	""	""
"5305"	"ADP-ribosylation factor 1"	"Human"	"Peptide"	""	""	""	""	"178101987"	"0"	"P84077"	"ENSG00000143761"	""	""	""	""	""	""	""	"ARF-1|Arf1"	""	""	""	""	""	""
"4450"	"(+)-adrenaline"	""	"Metabolite"	""	""	""	""	"135651431"	"247704"	""	""	"CHEMBL42280"	""	""	""	""	"4-[(1S)-1-hydroxy-2-methylaminoethyl]benzene-1,2-diol"	"racepinefrine"	"(S)-(+)-adrenaline|(S)-adrenaline"	"CNC[C@H](c1ccc(c(c1)O)O)O"	"UCTWMZQNUQWSLP-SECBINFHSA-N"	"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m1/s1"	""	""	""
"479"	"(-)-adrenaline"	""	"Metabolite"	"yes"	""	""	""	"135651430"	"5816"	""	""	"CHEMBL679"	""	""	""	""	"4-[(1R)-1-hydroxy-2-methylaminoethyl]benzene-1,2-diol"	"epinephrine|racepinefrine"	"adrenalin|Auvi-Q&reg;|Epipen&reg;|l-adrenaline|L-epinephrine|levoepinephrine"	"CNC[C@@H](c1ccc(c(c1)O)O)O"	"UCTWMZQNUQWSLP-VIFPVBQESA-N"	"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1"	"yes"	""	""
"697"	"adrenomedullin"	"Rat"	"Peptide"	""	""	""	""	"135651601"	"0"	"P43145"	"ENSRNOG00000027030"	""	""	""	""	""	""	""	"AM"	""	""	""	""	""	""
"3589"	"adrenomedullin"	"Mouse"	"Peptide"	""	""	""	""	"135651600"	"0"	"P97297"	"ENSMUSG00000030790"	""	""	""	""	""	""	""	"AM|mouse adrenomedullin"	""	""	""	""	""	""
"683"	"adrenomedullin"	"Human"	"Peptide"	""	""	""	""	"135651602"	"0"	"P35318"	"ENSG00000148926"	""	""	""	""	""	""	""	"AM"	""	""	""	"yes"	""	""
"704"	"adrenomedullin-(11-50) (rat)"	""	"Peptide"	""	""	""	""	"135651988"	"0"	""	""	""	""	""	""	""	""	""	"AM (11-50)|rat adrenomedullin (11-50)"	""	""	""	""	""	""
"705"	"adrenomedullin-(20-50) (rat)"	""	"Peptide"	""	""	""	""	"135651989"	"0"	""	""	""	""	""	""	""	""	""	"rat adrenomedullin (20-50)"	""	""	""	""	""	""
"706"	"adrenomedullin-(22-52) (human)"	""	"Peptide"	""	""	""	""	"135651990"	"155817383"	""	""	""	""	""	""	""	""	""	"AM (22-52)|AM-(22-52) (human)|human adrenomedullin (22-52)"	"CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC)C(C)C)[C@@H](C)O"	"ZLCRXNXPYINVTB-MUIJALJFSA-N"	"InChI=1S/C159H252N46O48/c1-15-80(9)126(202-139(234)100(51-55-117(167)215)185-142(237)105(67-89-72-173-76-176-89)189-130(225)82(11)177-140(235)102(63-77(3)4)190-132(227)92(33-20-24-56-160)180-136(231)99(50-54-116(166)214)188-153(248)125(79(7)8)200-151(246)123(169)84(13)208)154(249)195-103(66-88-42-46-91(211)47-43-88)141(236)184-98(49-53-115(165)213)137(232)191-104(65-86-31-18-17-19-32-86)146(241)203-128(85(14)209)156(251)196-109(71-122(222)223)144(239)182-94(35-22-26-58-162)133(228)193-107(69-120(218)219)143(238)181-93(34-21-25-57-161)134(229)194-108(70-121(220)221)145(240)192-106(68-118(168)216)147(242)199-124(78(5)6)152(247)178-83(12)157(252)204-61-29-38-112(204)149(244)186-96(37-28-60-174-159(171)172)135(230)197-110(74-206)148(243)183-95(36-23-27-59-163)138(233)201-127(81(10)16-2)155(250)198-111(75-207)158(253)205-62-30-39-113(205)150(245)187-97(48-52-114(164)212)131(226)175-73-119(217)179-101(129(170)224)64-87-40-44-90(210)45-41-87/h17-19,31-32,40-47,72,76-85,92-113,123-128,206-211H,15-16,20-30,33-39,48-71,73-75,160-163,169H2,1-14H3,(H2,164,212)(H2,165,213)(H2,166,214)(H2,167,215)(H2,168,216)(H2,170,224)(H,173,176)(H,175,226)(H,177,235)(H,178,247)(H,179,217)(H,180,231)(H,181,238)(H,182,239)(H,183,243)(H,184,236)(H,185,237)(H,186,244)(H,187,245)(H,188,248)(H,189,225)(H,190,227)(H,191,232)(H,192,240)(H,193,228)(H,194,229)(H,195,249)(H,196,251)(H,197,230)(H,198,250)(H,199,242)(H,200,246)(H,201,233)(H,202,234)(H,203,241)(H,218,219)(H,220,221)(H,222,223)(H4,171,172,174)/t80-,81-,82-,83-,84+,85+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,123-,124-,125-,126-,127-,128-/m0/s1"	""	""	""
"3590"	"adrenomedullin 2/intermedin"	"Mouse"	"Peptide"	""	""	""	""	"135651605"	"0"	"Q7TNK8"	"ENSMUSG00000054136"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3591"	"adrenomedullin 2/intermedin"	"Rat"	"Peptide"	""	""	""	""	"135651603"	"0"	"P61312"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"684"	"adrenomedullin 2/intermedin"	"Human"	"Peptide"	""	""	""	""	"135651604"	"0"	"Q7Z4H4"	"ENSG00000128165"	""	""	""	""	""	""	""	"AM2/IMD"	""	""	""	""	""	""
"8985"	"adriforant"	""	"Synthetic organic"	""	""	""	""	"310264765"	"24745335"	""	""	"CHEMBL1915540"	""	""	""	""	"N'-(cyclopropylmethyl)-6-[(3R)-3-methylaminopyrrolidin-1-yl]pyrimidine-2,4-diamine"	"adriforant"	"PF 3893787|PF-03893787|ZPL-389|ZPL-3893787|ZPL389|ZPL3893787"	"CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N"	"ISBHYKVAFKTATD-SNVBAGLBSA-N"	"InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1"	"yes"	""	""
"12375"	"adrixetinib"	""	"Synthetic organic"	""	""	""	""	"479821166"	"156440741"	""	""	""	""	""	""	""	"N-[5-(6,7-dimethoxyquinolin-4-yl)oxypyridin-2-yl]-1-propyl-4-(2,2,2-trifluoroethoxy)pyrazole-3-carboxamide"	"adrixetinib"	"example 7 [US2021163448A1]"	"COc1cc2c(ccnc2cc1OC)Oc1ccc(nc1)NC(=O)c1nn(cc1OCC(F)(F)F)CCC"	"BWUUJXXFCSYLFW-UHFFFAOYSA-N"	"InChI=1S/C25H24F3N5O5/c1-4-9-33-13-21(37-14-25(26,27)28)23(32-33)24(34)31-22-6-5-15(12-30-22)38-18-7-8-29-17-11-20(36-3)19(35-2)10-16(17)18/h5-8,10-13H,4,9,14H2,1-3H3,(H,30,31,34)"	""	""	""
"9573"	"adropin"	"Human"	"Peptide"	""	""	""	""	"336446959"	"0"	"Q6UWT2"	"ENSG00000168913"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"932"	"(+)-ADTN"	""	"Synthetic organic"	""	""	""	""	"135649897"	"3153"	""	""	"CHEMBL26736"	""	""	""	""	"6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol"	""	"(+)-ADTN (aminotetralin-6,7-diol)"	"NC1CCc2c(C1)cc(c(c2)O)O"	"ASXGAOFCKGHGMF-UHFFFAOYSA-N"	"InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2"	""	""	""
"8325"	"aducanumab"	""	"Antibody"	"yes"	""	""	""	"252166537"	"0"	""	""	""	""	""	""	""	""	"aducanumab"	"aducanumab-avwa|Aduhelm&reg;|BART|BIIB-037|BIIB037"	""	""	""	""	""	""
"10192"	"ADU-S100"	""	"Synthetic organic"	""	""	""	""	"381118902"	"118989191"	""	""	""	""	""	""	""	""	""	"dithio-(Rp,Rp)-[cyclic[A(2',5')pA(3',5')p]]|MIW815|ML RR-S2 CDA|S100"	"OC1[C@H]2COP(=O)(S)O[C@@H]3[C@@H](COP(=S)(O[C@H]1[C@@H](O2)n1cnc2c1ncnc2N)O)O[C@H]([C@@H]3O)n1cnc2c1ncnc2N"	"IZJJFUQKKZFVLH-LTKSHMRXSA-N"	"InChI=1S/C20H24N10O10P2S2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(38-19)2-36-42(34,44)40-14-11(31)7(1-35-41(33,43)39-13)37-20(14)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,43)(H,34,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11?,12-,13-,14-,19-,20-,41?,42?/m1/s1"	"yes"	""	""
"1420"	"ADX-47273"	""	"Synthetic organic"	""	""	""	""	"135649898"	"11383075"	""	""	"CHEMBL381055"	""	""	""	""	"(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone"	""	"ADX 47273|ADX47273"	"Fc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1onc(n1)c1ccc(cc1)F"	"VXQCCZHCFBHTTD-HNNXBMFYSA-N"	"InChI=1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2/t15-/m0/s1"	""	""	""
"6217"	"ADX71743"	""	"Synthetic organic"	""	""	""	""	"178102838"	"53391766"	""	""	""	""	""	""	""	"6-(2,4-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-one"	""	"ADX 71743|ADX-71743"	"CCc1nc2c(o1)CC(CC2=O)c1ccc(cc1C)C"	"CPKZCQHJDFSOJT-UHFFFAOYSA-N"	"InChI=1S/C17H19NO2/c1-4-16-18-17-14(19)8-12(9-15(17)20-16)13-6-5-10(2)7-11(13)3/h5-7,12H,4,8-9H2,1-3H3"	""	""	""
"6238"	"ADX88178"	""	"Synthetic organic"	""	""	""	""	"178102859"	"46836872"	""	""	""	""	""	""	""	"4-methyl-N-[5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyrimidin-2-amine"	""	"ADX 88178|ADX-88178"	"Cc1ccnc(n1)Nc1sc(c(n1)c1c[nH]nc1)C"	"MIQNXKWDQRNHAU-UHFFFAOYSA-N"	"InChI=1S/C12H12N6S/c1-7-3-4-13-11(16-7)18-12-17-10(8(2)19-12)9-5-14-15-6-9/h3-6H,1-2H3,(H,14,15)(H,13,16,17,18)"	""	""	""
"8586"	"AE9C90CB"	""	"Synthetic organic"	""	""	""	""	"252166787"	"9862598"	""	""	""	""	""	""	""	"N-[(1R,5S,6R)-3-azabicyclo[3.1.0]hexan-6-ylmethyl]-2-hydroxy-N-methyl-2,2-diphenylacetamide"	""	""	"CN(C(=O)C(c1ccccc1)(c1ccccc1)O)C[C@@H]1[C@H]2[C@@H]1CNC2"	"AARSINSGAQDAKQ-REPLKXPHSA-N"	"InChI=1S/C21H24N2O2/c1-23(14-19-17-12-22-13-18(17)19)20(24)21(25,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-19,22,25H,12-14H2,1H3/t17-,18+,19-"	""	""	""
"7643"	"AEE788"	""	"Synthetic organic"	""	""	""	""	"223365978"	"16035342"	""	""	"CHEMBL587723"	""	""	""	""	"6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[3,2-e]pyrimidin-4-amine"	""	"AEE 788|NVP-AEE788"	"CCN1CCN(CC1)Cc1ccc(cc1)c1cc2c([nH]1)ncnc2N[C@@H](c1ccccc1)C"	"OONFNUWBHFSNBT-HXUWFJFHSA-N"	"InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1"	""	""	""
"13723"	"AER002"	""	"Antibody"	""	""	""	""	"507750357"	"0"	""	""	""	""	""	""	""	""	""	"AER-002|P2G3"	""	""	""	""	""	""
"4861"	"AF12198"	""	"Peptide"	""	""	""	""	"178101562"	"16135237"	""	""	""	""	""	""	""	""	""	"AF 12198|AF-12198"	""	""	""	"yes"	""	""
"14518"	"AF23"	""	"Synthetic organic"	""	""	""	""	"528429839"	"178342680"	""	""	""	""	""	""	""	""	""	"AF-23|compound 18 [PMID: 42102356]"	"O=C([C@@H](N)CCCNC(=N)NCC(F)(F)F)N[C@H](C(=O)N[C@H](C(=O)O)CC=1C=CC=CC1)CC=2C=C([N+]([O-])=O)C(O)=CC2"	"ILGVVKCFDCBYOI-FHWLQOOXSA-N"	"InChI=1S/C26H32F3N7O7/c27-26(28,29)14-33-25(31)32-10-4-7-17(30)22(38)34-18(12-16-8-9-21(37)20(13-16)36(42)43)23(39)35-19(24(40)41)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,17-19,37H,4,7,10-12,14,30H2,(H,34,38)(H,35,39)(H,40,41)(H3,31,32,33)/t17-,18-,19-/m0/s1"	""	""	""
"4125"	"AF353"	""	"Synthetic organic"	""	""	""	""	"178100947"	"15953802"	""	""	"CHEMBL526307"	""	""	""	""	"5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine"	""	"AF 353|AF-353"	"COc1cc(C(C)C)c(cc1I)Oc1cnc(nc1N)N"	"AATPYXMXFBBKFO-UHFFFAOYSA-N"	"InChI=1S/C14H17IN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)"	""	""	""
"14567"	"AF64394"	""	"Synthetic organic"	""	""	""	""	"530846815"	"125286314"	""	""	"CHEMBL5415991"	""	""	""	""	"N-[(4-chloro-2-propan-2-yloxyphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine"	""	"AF 64394|AF-64394"	"CC(C)OC1=C(C=CC(=C1)Cl)CNC2=CC(=NC3=NC=NN23)C4=CC=CC=C4"	"WBYNZQXAAWPAGR-UHFFFAOYSA-N"	"InChI=1S/C21H20ClN5O/c1-14(2)28-19-10-17(22)9-8-16(19)12-23-20-11-18(15-6-4-3-5-7-15)26-21-24-13-25-27(20)21/h3-11,13-14,23H,12H2,1-2H3"	""	""	""
"9538"	"AF-906"	""	"Synthetic organic"	""	""	""	""	"336446924"	"24883277"	""	""	"CHEMBL494161"	""	""	""	""	"2-[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]propane-1,3-diol"	""	"compound 128 [PMID: 26686393]|Ro-51"	"OCC(Nc1ncc(c(n1)N)Oc1cc(I)c(cc1C(C)C)OC)CO"	"PAYROHWFGZADBR-UHFFFAOYSA-N"	"InChI=1S/C17H23IN4O4/c1-9(2)11-4-14(25-3)12(18)5-13(11)26-15-6-20-17(22-16(15)19)21-10(7-23)8-24/h4-6,9-10,23-24H,7-8H2,1-3H3,(H3,19,20,21,22)"	""	""	""
"10754"	"afabicin"	""	"Synthetic organic"	""	""	""	""	"405560195"	"72696796"	""	""	"CHEMBL4297501"	""	""	""	""	"[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl dihydrogen phosphate"	"afabicin"	"AFN-1720|Debio 1450|Debio1450"	"O=C(N(Cc1oc2c(c1C)cccc2)C)/C=C/c1cnc2c(c1)CCC(=O)N2COP(=O)(O)O"	"HFYMDQMXVPJNTH-VQHVLOKHSA-N"	"InChI=1S/C23H24N3O7P/c1-15-18-5-3-4-6-19(18)33-20(15)13-25(2)21(27)9-7-16-11-17-8-10-22(28)26(23(17)24-12-16)14-32-34(29,30)31/h3-7,9,11-12H,8,10,13-14H2,1-2H3,(H2,29,30,31)/b9-7+"	""	""	"yes"
"1324"	"afamelanotide"	""	"Peptide"	"yes"	""	""	""	"135652322"	"16197727"	""	""	"CHEMBL441738"	""	""	""	""	""	"afamelanotide"	"&alpha;-NDP-MSH|[Nle4,dPhe7]&alpha;-MSH|CUV-1647|CUV1647|NDP-MSH|Scenesse&reg;"	"CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)C(C)C)CCCCN)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)Cc1ccccc1)Cc1[nH]cnc1)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CO)Cc1ccc(cc1)O)CO"	"UAHFGYDRQSXQEB-LEBBXHLNSA-N"	"InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1"	""	""	""
"5667"	"afatinib"	""	"Synthetic organic"	"yes"	""	""	""	"178102295"	"10184653"	""	""	"CHEMBL1173655"	""	""	""	""	"(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-oxolan-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide"	"afatinib"	"BIBW2992|Gilotrif&reg;"	"CN(C/C=C/C(=O)Nc1cc2c(ncnc2cc1O[C@@H]1COCC1)Nc1ccc(c(c1)Cl)F)C"	"ULXXDDBFHOBEHA-CWDCEQMOSA-N"	"InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1"	""	""	""
"2937"	"AFD(R)"	""	"Synthetic organic"	""	""	""	""	"135649899"	"10904818"	""	""	"CHEMBL382739"	""	""	""	""	"[(2R)-2-amino-4-(4-heptoxyphenyl)-2-methylbutyl] dihydrogen phosphate"	""	""	"CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C"	"NMRLBSIYIBOLLJ-GOSISDBHSA-N"	"InChI=1S/C18H32NO5P/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-18(2,19)15-24-25(20,21)22/h8-11H,3-7,12-15,19H2,1-2H3,(H2,20,21,22)/t18-/m1/s1"	""	""	""
"3264"	"AFDX384"	""	"Synthetic organic"	""	""	""	""	"178100307"	"119357"	""	""	"CHEMBL279453"	""	""	""	""	"N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide"	""	"AF-DX 384|AFDX-384"	"CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC"	"MZDYABXXPZNUCT-UHFFFAOYSA-N"	"InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)"	""	""	""
"7410"	"afegostat"	""	"Synthetic organic"	""	""	""	""	"178103982"	"447607"	""	""	"CHEMBL206468"	""	""	""	""	"(3R,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-3,4-DIOL"	"afegostat"	"IFM|iso-fagomine|isofagomine"	"OC[C@H]1CNC[C@H]([C@@H]1O)O"	"QPYJXFZUIJOGNX-HSUXUTPPSA-N"	"InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1"	""	""	""
"11524"	"aficamten"	""	"Synthetic organic"	"yes"	""	""	""	"441604896"	"139331495"	""	""	""	""	""	""	""	"N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide"	"aficamten"	"CK-274|CK-3773274|CK3773274|Myqorzo&reg;"	"CCc1onc(n1)c1ccc2c(c1)CC[C@H]2NC(=O)c1cnn(c1)C"	"IOVAZWDIRCRMTM-OAHLLOKOSA-N"	"InChI=1S/C18H19N5O2/c1-3-16-21-17(22-25-16)12-4-6-14-11(8-12)5-7-15(14)20-18(24)13-9-19-23(2)10-13/h4,6,8-10,15H,3,5,7H2,1-2H3,(H,20,24)/t15-/m1/s1"	""	""	""
"6786"	"aflibercept"	""	"Peptide"	"yes"	""	""	""	"178103392"	"0"	""	""	"CHEMBL1742982"	""	""	""	""	""	"aflibercept"	"AVE0005|Eylea&reg;|VEGF Trap|Zaltrap&reg;|ziv-aflibercept"	""	""	""	""	""	""
"10067"	"AFM13"	""	"Antibody"	""	""	""	""	"375973255"	"0"	""	""	""	""	""	""	""	""	""	"AFM 13|AFM-13"	""	""	""	"yes"	""	""
"1962"	"AFP-07"	""	"Synthetic organic"	""	""	""	""	"135649901"	"5311226"	""	""	""	""	""	""	""	"(5Z)-5-[(3aR,4R,5R,6aS)-3,3-difluoro-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]furan-2-ylidene]pentanoic acid"	""	"AFP 07|AFP07"	"CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C(F)(F)/C(=C/CCCC(=O)O)/O2)O"	"ILUYAOVLMOPQAI-BFOOZVJSSA-N"	"InChI=1S/C20H30F2O5/c1-2-3-4-7-13(23)10-11-14-15(24)12-16-19(14)20(21,22)17(27-16)8-5-6-9-18(25)26/h8,10-11,13-16,19,23-24H,2-7,9,12H2,1H3,(H,25,26)/b11-10+,17-8-/t13-,14-,15+,16-,19+/m0/s1"	""	""	""
"2613"	"AFT-II"	""	"Peptide"	""	""	""	""	"135651976"	"0"	"P10454"	""	""	""	""	""	""	""	""	"neurotoxin-2|Toxin AFII|Toxin AFT-II"	""	""	""	""	""	""
"7890"	"afuresertib"	""	"Synthetic organic"	""	""	""	""	"249565581"	"46843057"	""	""	"CHEMBL2219422"	""	""	""	""	""	"afuresertib"	"GSK 2110183|GSK-2110183|GSK2110183"	"NC[C@@H](NC(=O)c1sc(c(c1)c1c(Cl)cnn1C)Cl)Cc1cccc(c1)F"	"AFJRDFWMXUECEW-LBPRGKRZSA-N"	"InChI=1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1"	""	""	""
"901"	"AG-041R"	""	"Synthetic organic"	""	""	""	""	"135649902"	"9807431"	""	""	""	""	""	""	""	"2-[(3R)-1-(2,2-diethoxyethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide"	""	"AG 041R|AG041R|LS-83786"	"CCOC(CN1c2ccccc2[C@@](C1=O)(CC(=O)Nc1ccc(cc1)C)NC(=O)Nc1ccc(cc1)C)OCC"	"KOLPMNSDISYEBU-WJOKGBTCSA-N"	"InChI=1S/C31H36N4O5/c1-5-39-28(40-6-2)20-35-26-10-8-7-9-25(26)31(29(35)37,19-27(36)32-23-15-11-21(3)12-16-23)34-30(38)33-24-17-13-22(4)14-18-24/h7-18,28H,5-6,19-20H2,1-4H3,(H,32,36)(H2,33,34,38)/t31-/m1/s1"	""	""	""
"5833"	"AG-09/1"	""	"Synthetic organic"	""	""	""	""	"178102458"	"3901842"	""	""	"CHEMBL1290578"	""	""	""	""	"2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide"	""	"AG-09/1 [benzimidazole derivative]|ST024252"	"COc1ccc2c(c1)nc([nH]2)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-]"	"LYQDSNOFTIZWAX-UHFFFAOYSA-N"	"InChI=1S/C16H14N4O4S/c1-24-12-6-7-13-14(8-12)19-16(18-13)25-9-15(21)17-10-2-4-11(5-3-10)20(22)23/h2-8H,9H2,1H3,(H,17,21)(H,18,19)"	""	""	""
"5912"	"AG 1024"	""	"Synthetic organic"	""	""	""	""	"178102535"	"2044"	""	""	"CHEMBL2218926"	""	""	""	""	"2-[(3-bromo-5-tert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile"	""	"AG-1024|AG1024|tyrphostin AG 1024"	"N#CC(=Cc1cc(Br)c(c(c1)C(C)(C)C)O)C#N"	"ABBADGFSRBWENF-UHFFFAOYSA-N"	"InChI=1S/C14H13BrN2O/c1-14(2,3)11-5-9(4-10(7-16)8-17)6-12(15)13(11)18/h4-6,18H,1-3H3"	""	""	""
"5832"	"AG-11/03"	""	"Synthetic organic"	""	""	""	""	"178102457"	"7342912"	""	""	""	""	""	""	""	"2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methylsulfanylphenyl)acetamide"	""	"AG-11/03 [benzimidazole derivative]|STK220090"	"COc1ccc2c(c1)nc([nH]2)SCC(=O)Nc1ccc(cc1)SC"	"FKTAXVGJKVSANI-UHFFFAOYSA-N"	"InChI=1S/C17H17N3O2S2/c1-22-12-5-8-14-15(9-12)20-17(19-14)24-10-16(21)18-11-3-6-13(23-2)7-4-11/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)"	""	""	""
"5913"	"AG 112"	""	"Synthetic organic"	""	""	""	""	"178102536"	"5328804"	""	""	"CHEMBL76589"	""	""	""	""	"(3Z)-2-amino-3-[(4-hydroxyphenyl)methylidene]prop-1-ene-1,1,3-tricarbonitrile"	""	"AG-112|AG112|tyrphostin A48|tyrphostin AG 112"	"N#C/C(=C\c1ccc(cc1)O)/C(=C(C#N)C#N)N"	"DXVJRTIPBNBLLB-BJMVGYQFSA-N"	"InChI=1S/C13H8N4O/c14-6-10(13(17)11(7-15)8-16)5-9-1-3-12(18)4-2-9/h1-5,18H,17H2/b10-5+"	""	""	""
"11398"	"AG-122018"	""	"Synthetic organic"	""	""	""	""	"440816767"	"11510199"	""	""	"CHEMBL3353369"	""	""	""	""	"(2R)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]-3-(6-fluoro-1H-indol-2-yl)propanoic acid"	""	"compound 18 [PMID: 25091930]"	"O=C(CC1c2ccccc2c2c1cccc2)N[C@@H](C(=O)O)Cc1[nH]c2c(c1)ccc(c2)F"	"ZWSNYKPAUKAJCT-XMMPIXPASA-N"	"InChI=1S/C26H21FN2O3/c27-16-10-9-15-11-17(28-23(15)12-16)13-24(26(31)32)29-25(30)14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22,24,28H,13-14H2,(H,29,30)(H,31,32)/t24-/m1/s1"	""	""	""
"5914"	"AG 1295"	""	"Synthetic organic"	""	""	""	""	"178102537"	"2048"	""	""	"CHEMBL7724"	""	""	""	""	"6,7-dimethyl-2-phenylquinoxaline"	""	"AG-1295|AG1295"	"Cc1cc2ncc(nc2cc1C)c1ccccc1"	"FQNCLVJEQCJWSU-UHFFFAOYSA-N"	"InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3"	""	""	""
"5915"	"AG 1296"	""	"Synthetic organic"	""	""	""	""	"178102538"	"2049"	""	""	"CHEMBL71191"	""	""	""	""	"6,7-dimethoxy-2-phenylquinoxaline"	""	"AG-1296|AG1296|tyrphostin AG-1296"	"COc1cc2nc(cnc2cc1OC)c1ccccc1"	"QNOXYUNHIGOWNY-UHFFFAOYSA-N"	"InChI=1S/C16H14N2O2/c1-19-15-8-12-13(9-16(15)20-2)18-14(10-17-12)11-6-4-3-5-7-11/h3-10H,1-2H3"	""	""	""
"5835"	"AG-14"	""	"Synthetic organic"	""	""	""	""	"178102460"	"9618971"	""	""	"CHEMBL1290251"	""	""	""	""	"N-[[3-methoxy-4-(phenylmethoxy)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide"	""	"AG 14|AG14"	"COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1"	"ULOKADSYVZOTTL-ZMOGYAJESA-N"	"InChI=1S/C23H20N2O5/c1-27-21-11-17(7-9-19(21)28-14-16-5-3-2-4-6-16)13-24-25-23(26)18-8-10-20-22(12-18)30-15-29-20/h2-13H,14-15H2,1H3,(H,25,26)/b24-13+"	""	""	""
"8094"	"AG14361"	""	"Synthetic organic"	""	""	""	""	"249565774"	"9840076"	""	""	"CHEMBL65892"	""	""	""	""	""	""	"AG 14361|AG-14361"	"CN(Cc1ccc(cc1)c1nc2c3n1CCNC(=O)c3ccc2)C"	"SEKJSSBJKFLZIT-UHFFFAOYSA-N"	"InChI=1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24)"	""	""	""
"4862"	"AG1478"	""	"Synthetic organic"	""	""	""	""	"178101563"	"2051"	""	""	"CHEMBL7917"	""	""	""	""	"N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine"	""	"AG 1478|AG-1478|tyrphostin AG1478"	"COc1cc2c(ncnc2cc1OC)Nc1cccc(c1)Cl"	"GFNNBHLJANVSQV-UHFFFAOYSA-N"	"InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)"	""	""	""
"11400"	"AG-17724"	""	"Synthetic organic"	""	""	""	""	"440816769"	"11675244"	""	""	"CHEMBL3322219"	""	""	""	""	"(2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-(naphthalene-2-carbonylamino)propanoic acid"	""	"AG17724|compound 7 [PMID: 25091930]"	"Fc1ccc2c(c1)nc([nH]2)C[C@H](C(=O)O)NC(=O)c1ccc2c(c1)cccc2"	"NKMPZFCFXCJBEY-GOSISDBHSA-N"	"InChI=1S/C21H16FN3O3/c22-15-7-8-16-17(10-15)24-19(23-16)11-18(21(27)28)25-20(26)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18H,11H2,(H,23,24)(H,25,26)(H,27,28)/t18-/m1/s1"	""	""	""
"6268"	"AG-26"	""	"Synthetic organic"	""	""	""	""	"178102888"	"727787"	""	""	"CHEMBL1289260"	""	""	""	""	"3-(4-chlorophenyl)-1-[2-(4-methoxyphenyl)ethyl]urea"	""	"AG 26|AG26"	"COc1ccc(cc1)CCNC(=O)Nc1ccc(cc1)Cl"	"OVFMMJNKICPJJH-UHFFFAOYSA-N"	"InChI=1S/C16H17ClN2O2/c1-21-15-8-2-12(3-9-15)10-11-18-16(20)19-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H2,18,19,20)"	""	""	""
"14386"	"AG-270"	""	"Synthetic organic"	""	""	""	""	"523352178"	"134307820"	""	""	"CHEMBL4573938"	""	""	""	""	"3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one"	""	"AG270|S-095033|S095033"	"COC1=CC=C(C=C1)C2=C(N=C3C(=C(NN3C2=O)C4=CC=CC=C4)C5=CCCCC5)NC6=CC=CC=N6"	"LSOYYWKBUKXUHQ-UHFFFAOYSA-N"	"InChI=1S/C30H27N5O2/c1-37-23-17-15-21(16-18-23)26-28(32-24-14-8-9-19-31-24)33-29-25(20-10-4-2-5-11-20)27(34-35(29)30(26)36)22-12-6-3-7-13-22/h3,6-10,12-19,34H,2,4-5,11H2,1H3,(H,31,32)"	""	""	""
"5916"	"AG 490"	""	"Synthetic organic"	""	""	""	""	"178102539"	"5328779"	""	""	"CHEMBL56543"	""	""	""	""	"(2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide"	""	"AG-490|tyrphostin AG490|tyrphostin B42"	"N#C/C(=C\c1ccc(c(c1)O)O)/C(=O)NCc1ccccc1"	"TUCIOBMMDDOEMM-RIYZIHGNSA-N"	"InChI=1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19,22)/b14-8+"	""	""	""
"4863"	"AG879"	""	"Synthetic organic"	""	""	""	""	"178101564"	"135419190"	""	""	"CHEMBL539947"	""	""	""	""	"(2E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enethioamide"	""	"AG 879|AG-879|tyrphostin AG879"	"N#C/C(=C\c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/C(=S)N"	"XRZYELWZLNAXGE-KPKJPENVSA-N"	"InChI=1S/C18H24N2OS/c1-17(2,3)13-8-11(7-12(10-19)16(20)22)9-14(15(13)21)18(4,5)6/h7-9,21H,1-6H3,(H2,20,22)/b12-7+"	""	""	""
"5917"	"AG 9"	""	"Synthetic organic"	""	""	""	""	"178102540"	"2063"	""	""	"CHEMBL77456"	""	""	""	""	"2-[(4-methoxyphenyl)methylidene]propanedinitrile"	""	"AG-9|AG9|tyrphostin 1|tyrphostin A1"	"COc1ccc(cc1)C=C(C#N)C#N"	"UOHFCPXBKJPCAD-UHFFFAOYSA-N"	"InChI=1S/C11H8N2O/c1-14-11-4-2-9(3-5-11)6-10(7-12)8-13/h2-6H,1H3"	""	""	""
"9843"	"agatolimod"	""	"Nucleic acid"	""	""	""	""	"363894137"	"56841790"	""	""	""	""	""	""	""	""	"agatolimod"	"CpG 7909|CpG7909|PF 3512676|PF-3512676|ProMune|VaxImmune"	"OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cnc2c1nc(N)[nH]c2=O)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cnc(c1C)C(=O)NC(=C)N)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O"	"GUVMFDICMFQHSZ-UHFFFAOYSA-N"	""	"yes"	""	""
"2484"	"agatoxin 489"	""	"Natural product"	""	""	""	""	"53801092"	"131007"	""	""	"CHEMBL3286869"	""	""	""	""	"N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide"	""	"AG 489"	"NCCCNCCCCNCCCNCCCN(CCCNC(=O)Cc1c[nH]c2c1cccc2)O"	"LIURIBSBVUMOJS-UHFFFAOYSA-N"	"InChI=1S/C26H47N7O2/c27-11-5-14-28-12-3-4-13-29-15-6-16-30-17-7-19-33(35)20-8-18-31-26(34)21-23-22-32-25-10-2-1-9-24(23)25/h1-2,9-10,22,28-30,32,35H,3-8,11-21,27H2,(H,31,34)"	""	""	""
"7880"	"agerafenib"	""	"Synthetic organic"	""	""	""	""	"223366209"	"56846693"	""	""	"CHEMBL2029988"	""	""	""	""	"1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea"	"agerafenib"	"AC013773|CEP 32496|CEP-32496|CEP32496|RXDX-105"	"COc1cc2c(ncnc2cc1OC)Oc1cccc(c1)NC(=O)Nc1noc(c1)C(C(F)(F)F)(C)C"	"DKNUPRMJNUQNHR-UHFFFAOYSA-N"	"InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)"	""	""	""
"9240"	"AGI-5198"	""	"Synthetic organic"	""	""	""	""	"315661315"	"56645356"	""	""	"CHEMBL2180727"	""	""	""	""	"N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide"	""	""	"Fc1cccc(c1)N(C(c1ccccc1C)C(=O)NC1CCCCC1)C(=O)Cn1ccnc1C"	"FNYGWXSATBUBER-UHFFFAOYSA-N"	"InChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)"	""	""	""
"8099"	"AGK2"	""	"Synthetic organic"	""	""	""	""	"249565779"	"2130404"	""	""	"CHEMBL224864"	""	""	""	""	"(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide"	""	"AGK 2|AGK-2"	"N#C/C(=C\c1ccc(o1)c1cc(Cl)ccc1Cl)/C(=O)Nc1cccc2c1cccn2"	"SVENPFFEMUOOGK-SDNWHVSQSA-N"	"InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+"	""	""	""
"5918"	"AGL 2043"	""	"Synthetic organic"	""	""	""	""	"178102541"	"9817165"	""	""	"CHEMBL2218927"	""	""	""	""	"1,2-dimethyl-6-(thiophen-2-yl)-1H-imidazo[4,5-g]quinoxaline"	""	"AGL-2043|AGL2043|HMS3229A05"	"Cn1c(C)nc2c1cc1ncc(nc1c2)c1cccs1"	"ZGDACLBJJXLKJY-UHFFFAOYSA-N"	"InChI=1S/C15H12N4S/c1-9-17-12-6-11-10(7-14(12)19(9)2)16-8-13(18-11)15-4-3-5-20-15/h3-8H,1-2H3"	""	""	""
"4127"	"agmatine"	""	"Metabolite"	""	""	""	""	"178100949"	"199"	""	""	"CHEMBL58343"	""	""	""	""	"2-(4-aminobutyl)guanidine"	""	""	"NCCCCN=C(N)N"	"QYPPJABKJHAVHS-UHFFFAOYSA-N"	"InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)"	""	""	""
"6071"	"AGN 191976"	""	"Synthetic organic"	""	""	""	""	"178102692"	"73755173"	""	""	""	""	""	""	""	"(Z)-7-[(1R,5S,6R,7R)-7-[(3S)-3-hydroxyoctyl]-3-oxo-2,4-dioxabicyclo[3.2.1]octan-6-yl]hept-5-enoic acid"	""	"AGN-191976|AGN191976"	"CCCCC[C@@H](CC[C@H]1[C@@H]2OC(=O)O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O"	"CVQLYMOSZQTFDP-NFUXFLSFSA-N"	"InChI=1S/C21H34O6/c1-2-3-6-9-15(22)12-13-17-16(10-7-4-5-8-11-20(23)24)18-14-19(17)27-21(25)26-18/h4,7,15-19,22H,2-3,5-6,8-14H2,1H3,(H,23,24)/b7-4-/t15-,16+,17+,18-,19+/m0/s1"	""	""	""
"3387"	"AGN192093"	""	"Synthetic organic"	""	""	""	""	"178100404"	"11968293"	""	""	""	""	""	""	""	"(1S,5S,6R,7R)-6-[(2Z)-7-hydroxyhept-2-en-1-yl]-7-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,4-dioxabicyclo[3.2.1]octan-3-one"	""	"AGN 192093|AGN-192093"	"CCCCC[C@@H](/C=C/[C@H]1[C@H]2OC(=O)O[C@H]([C@@H]1C/C=C\CCCCO)C2)O"	"PTIUXNGGNGQHQK-KTEVXADTSA-N"	"InChI=1S/C21H34O5/c1-2-3-7-10-16(23)12-13-18-17(11-8-5-4-6-9-14-22)19-15-20(18)26-21(24)25-19/h5,8,12-13,16-20,22-23H,2-4,6-7,9-11,14-15H2,1H3/b8-5-,13-12+/t16-,17+,18+,19-,20-/m0/s1"	""	""	""
"2640"	"AGN193109"	""	"Synthetic organic"	""	""	""	""	"135649903"	"177238"	""	""	"CHEMBL358145"	""	""	""	""	"4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid"	""	"AGN 193109|AGN-93109"	"Cc1ccc(cc1)C1=CCC(c2c1cc(cc2)C#Cc1ccc(cc1)C(=O)O)(C)C"	"NCEQLLNVRRTCKJ-UHFFFAOYSA-N"	"InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)"	""	""	""
"2649"	"AGN193836"	""	"Synthetic organic"	""	""	""	""	"135649904"	"23001780"	""	""	""	""	""	""	""	"4-[(4-bromo-3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]-2,6-difluorobenzoic acid"	""	"AGN 193836|AGN-193836"	"O=C(c1cc(F)c(c(c1)F)C(=O)O)Nc1cc2c(c(c1O)Br)C(C)(C)CCC2(C)C"	"FADQHUSDAKOWFT-UHFFFAOYSA-N"	"InChI=1S/C22H22BrF2NO4/c1-21(2)5-6-22(3,4)16-11(21)9-14(18(27)17(16)23)26-19(28)10-7-12(24)15(20(29)30)13(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)"	""	""	""
"2811"	"AGN194204"	""	"Synthetic organic"	""	""	""	""	"135649905"	"9863342"	""	""	"CHEMBL69091"	""	""	""	""	"(2E,4E)-3-methyl-5-[2-methyl-2-(5,5,8,8-tetramethyl-6, 7-dihydronaphthalen-2-yl)cyclopropyl]penta-2,4-dienoic acid"	""	"AGN 194204|AGN-194204"	"OC(=O)/C=C(/C=C/C1CC1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)\C"	"BOOOLEGQBVUTKC-YWRSBGDESA-N"	"InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+"	""	""	""
"5455"	"AGN 211334"	""	"Synthetic organic"	""	""	""	""	"178102105"	"24785690"	""	""	""	""	""	""	""	""	""	"AGN-211334|AGN211334"	"CCNC(=O)COc1ccc(cc1C[C@H]1[C@@H]2CC[C@H]([C@H]1c1occ(n1)C(=O)NCCCCC1CCCCC1)O2)F"	"FPMMMZJJCYYVIK-QIBGPLTASA-N"	"InChI=1S/C31H42FN3O5/c1-2-33-28(36)19-38-25-12-11-22(32)16-21(25)17-23-26-13-14-27(40-26)29(23)31-35-24(18-39-31)30(37)34-15-7-6-10-20-8-4-3-5-9-20/h11-12,16,18,20,23,26-27,29H,2-10,13-15,17,19H2,1H3,(H,33,36)(H,34,37)/t23-,26-,27+,29-/m0/s1"	""	""	""
"198"	"agomelatine"	""	"Synthetic organic"	"yes"	""	""	""	"135649906"	"82148"	""	""	"CHEMBL10878"	""	""	""	""	"N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide"	"agomelatine"	"S20098|Thymanax&reg;|Valdoxan&reg;"	"COc1ccc2c(c1)c(CCNC(=O)C)ccc2"	"YJYPHIXNFHFHND-UHFFFAOYSA-N"	"InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)"	""	""	""
"3610"	"agouti"	"Rat"	"Peptide"	""	""	""	""	"178100535"	"0"	"Q99JA2"	"ENSRNOG00000017701"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1329"	"agouti"	"Mouse"	"Peptide"	""	""	""	""	"135651606"	"0"	"Q03288"	"ENSMUSG00000027596"	""	""	""	""	""	""	""	"ASIP"	""	""	""	""	""	""
"3609"	"agouti"	"Human"	"Peptide"	""	""	""	""	"178100534"	"0"	"P42127"	"ENSG00000101440"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3611"	"agouti-related protein"	"Mouse"	"Peptide"	""	""	""	""	"178100536"	"0"	"P56473"	"ENSMUSG00000005705"	""	""	""	""	""	""	""	"agouti-related peptide|AGRP"	""	""	""	""	""	""
"1335"	"agouti-related protein"	"Human"	"Peptide"	""	""	""	""	"135651607"	"0"	"O00253"	"ENSG00000159723"	""	""	""	""	""	""	""	"agouti-related peptide|AGRP"	""	""	""	""	""	""
"5319"	"agrin"	"Human"	"Peptide"	""	""	""	""	"53801014"	"0"	"O00468"	"ENSG00000188157"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"13261"	"AGS-499"	""	"Synthetic organic"	""	""	""	""	"491300043"	"68512023"	""	""	""	""	""	""	""	"4-[1,1-bis(3,5-diethoxy-4-hydroxyphenyl)ethyl]-2,6-diethoxyphenol"	""	""	"CCOC1=CC(=CC(=C1O)OCC)C(C)(C2=CC(=C(C(=C2)OCC)O)OCC)C3=CC(=C(C(=C3)OCC)O)OCC"	"XBQUOTRVJFIZGM-UHFFFAOYSA-N"	"InChI=1S/C32H42O9/c1-8-36-23-14-20(15-24(29(23)33)37-9-2)32(7,21-16-25(38-10-3)30(34)26(17-21)39-11-4)22-18-27(40-12-5)31(35)28(19-22)41-13-6/h14-19,33-35H,8-13H2,1-7H3"	""	""	""
"4126"	"Ag<sup>+</sup>"	""	"Inorganic"	""	""	""	""	"178100948"	"0"	""	""	""	""	""	""	""	""	""	"silver"	""	""	""	""	""	""
"13646"	"AGU654"	""	"Synthetic organic"	""	""	""	""	"504705465"	"171637720"	""	""	""	""	""	""	""	"2-chloro-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzamide"	""	"AGU-654|compound 44 [PMID: 39622054]"	"ClC1=C(C(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=CC(=C4)C(F)(F)F)C=C(C=C1)CNC(=O)C5(CC5)C(F)(F)F"	"QLJJIKAYPMNUEM-UHFFFAOYSA-N"	"InChI=1S/C27H19ClF6N4O2/c28-19-7-1-14(13-35-24(40)25(9-10-25)27(32,33)34)11-18(19)23(39)36-17-5-2-15(3-6-17)22-37-20-8-4-16(26(29,30)31)12-21(20)38-22/h1-8,11-12H,9-10,13H2,(H,35,40)(H,36,39)(H,37,38)"	"yes"	""	""
"9899"	"AH10-7"	""	"Synthetic organic"	""	""	""	""	"363894193"	"133081970"	""	""	""	""	""	""	""	"N-[(2S,3R)-3-hydroxy-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-{[(4-phenylbut-1-en-2-yl)oxy]methyl}oxan-2-yl]oxy}octadecan-2-yl]hexacosanamide"	""	""	"CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@@H](CCCCCCCCCCCCCCC)O)CO[C@H]1O[C@H](COC(=C)CCc2ccccc2)[C@@H]([C@@H]([C@H]1O)O)O"	"AACQUTZHAXVZEB-MMSUBXCOSA-N"	"InChI=1S/C60H109NO8/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-42-46-56(63)61-53(54(62)45-41-36-34-32-30-28-17-15-13-11-9-7-5-2)49-68-60-59(66)58(65)57(64)55(69-60)50-67-51(3)47-48-52-43-39-38-40-44-52/h38-40,43-44,53-55,57-60,62,64-66H,3-37,41-42,45-50H2,1-2H3,(H,61,63)/t53-,54+,55+,57-,58-,59+,60-/m0/s1"	"yes"	""	""
"8461"	"AH 11110"	""	"Synthetic organic"	""	""	""	""	"252166671"	"9907616"	""	""	""	""	""	""	""	"4-imino-1-(2-phenylphenoxy)-4-piperidin-1-ylbutan-2-ol hydrochloride"	""	"AH-11110|AH11110"	"OC(CC(=N)N1CCCCC1)COc1ccccc1c1ccccc1.Cl"	"WWHGFIXWBLHHQB-UHFFFAOYSA-N"	"InChI=1S/C21H26N2O2.ClH/c22-21(23-13-7-2-8-14-23)15-18(24)16-25-20-12-6-5-11-19(20)17-9-3-1-4-10-17;/h1,3-6,9-12,18,22,24H,2,7-8,13-16H2;1H"	""	""	""
"1928"	"AH13205"	""	"Synthetic organic"	""	""	""	""	"135649907"	"5310998"	""	""	""	""	""	""	""	"7-[2-[4-(1-hydroxyhexyl)phenyl]-5-oxocyclopentyl]heptanoic acid"	""	"AH 13205|AH-13205"	"CCCCCC(c1ccc(cc1)C1CCC(=O)C1CCCCCCC(=O)O)O"	"XMQKDOCUWFCMEJ-UHFFFAOYSA-N"	"InChI=1S/C24H36O4/c1-2-3-6-10-22(25)19-14-12-18(13-15-19)20-16-17-23(26)21(20)9-7-4-5-8-11-24(27)28/h12-15,20-22,25H,2-11,16-17H2,1H3,(H,27,28)"	""	""	""
"1949"	"AH23848"	""	"Synthetic organic"	""	""	""	""	"135649908"	"5310999"	""	""	""	""	""	""	""	"(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid"	""	"(-)-AH23848|(-)AH23848|AH 23848|AH-23848"	"OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)CC(=O)[C@@H]1N1CCOCC1"	"IOFUFYLETVNNRF-OSAZKUMMSA-N"	"InChI=1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1-5,8-9,12-15,25,27,29H,6-7,10-11,16-21H2,(H,32,33)/b2-1-/t25-,27-,29+/m0/s1"	""	""	""
"1950"	"AH23848 (racemic)"	""	"Synthetic organic"	""	""	""	""	"135649909"	"6435402"	""	""	""	""	""	""	""	"(E)-7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid"	""	"AH 23848|AH-23848"	"OC(=O)CC/C=C/CCC1C(OCc2ccc(cc2)c2ccccc2)CC(=O)C1N1CCOCC1"	"IOFUFYLETVNNRF-OWOJBTEDSA-N"	"InChI=1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1-5,8-9,12-15,25,27,29H,6-7,10-11,16-21H2,(H,32,33)/b2-1+"	""	""	""
"1896"	"AH6809"	""	"Synthetic organic"	""	""	""	""	"135649910"	"119461"	""	""	"CHEMBL1317823"	""	""	""	""	"9-oxo-6-propan-2-yloxyxanthene-2-carboxylic acid"	""	"AH 6809|AH-6809"	"CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C"	"AQFFXPQJLZFABJ-UHFFFAOYSA-N"	"InChI=1S/C17H14O5/c1-9(2)21-11-4-5-12-15(8-11)22-14-6-3-10(17(19)20)7-13(14)16(12)18/h3-9H,1-2H3,(H,19,20)"	"yes"	""	""
"3431"	"AHPN"	""	"Synthetic organic"	""	""	""	""	"178100433"	"135411"	""	""	"CHEMBL1180"	""	""	""	""	"6-[3-(1-adamantyl)-4-hydroxyphenyl]naphthalene-2-carboxylic acid"	""	"CD 437|CD437|Ro 47-2077"	"Oc1ccc(cc1C12CC3CC(C2)CC(C1)C3)c1ccc2c(c1)ccc(c2)C(=O)O"	"LDGIHZJOIQSHPB-UHFFFAOYSA-N"	"InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)"	""	""	"yes"
"14526"	"AIC499"	""	"Synthetic organic"	""	""	""	""	"528429847"	"156587350"	""	""	""	""	""	""	""	"(2S)-2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxo-3-(sulfooxyamino)butan-2-yl]amino]-2-oxoethylidene]amino]oxy-3-[4-[N'-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid"	""	""	"CC(C)([C@@H](C=O)NC(=O)/C(=N\O[C@@H](COC1=CC=C(C=C1)C(=N[C@@H]2CCCNC2)N)C(=O)O)/C3=CSC(=N3)N)NOS(=O)(=O)O"	"NFNVPYWCKFTXAX-OOLKDPNPSA-N"	"InChI=1S/C25H34N8O10S2/c1-25(2,33-43-45(38,39)40)19(11-34)31-22(35)20(17-13-44-24(27)30-17)32-42-18(23(36)37)12-41-16-7-5-14(6-8-16)21(26)29-15-4-3-9-28-10-15/h5-8,11,13,15,18-19,28,33H,3-4,9-10,12H2,1-2H3,(H2,26,29)(H2,27,30)(H,31,35)(H,36,37)(H,38,39,40)/b32-20-/t15-,18+,19-/m1/s1"	""	""	"yes"
"1376"	"AIDA"	""	"Synthetic organic"	""	""	""	""	"135649911"	"2071"	""	""	"CHEMBL313938"	""	""	""	""	"1-amino-2,3-dihydroindene-1,5-dicarboxylic acid"	""	"GNF-Pf-1401|UPF 523|UPF523"	"OC(=O)c1ccc2c(c1)CCC2(N)C(=O)O"	"LSTPKMWNRWCNLS-UHFFFAOYSA-N"	"InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)"	""	""	""
"11823"	"AIM-1290"	""	"Synthetic organic"	""	""	""	""	"458923858"	"162366982"	""	""	"CHEMBL4872683"	""	""	""	""	"N-[2-(2,4-Difluorophenyl)-1,3-thiazol-5-yl]-4-(1,4-oxazepan-4-yl)butanamide trifluoroacetate"	""	""	"Fc1ccc(c2ncc(NC(=O)CCCN3CCCOCC3)s2)c(F)c1"	"RPGKIKHEBZDURC-UHFFFAOYSA-N"	"InChI=1S/C18H21F2N3O2S/c19-13-4-5-14(15(20)11-13)18-21-12-17(26-18)22-16(24)3-1-6-23-7-2-9-25-10-8-23/h4-5,11-12H,1-3,6-10H2,(H,22,24)"	""	"yes"	""
"13766"	"ainuovirine"	""	"Synthetic organic"	"yes"	""	""	""	"507750399"	"25215428"	""	""	"CHEMBL1081658"	""	""	""	""	"3-(3-ethyl-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl)-5-methylbenzonitrile"	""	"ACC-007|compound 10b [PMID: 20138513]|GS-9441|KM-023|KM023|TMC-120"	"CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)C"	"AYPIJAMXGVYYRQ-UHFFFAOYSA-N"	"InChI=1S/C18H19N3O3/c1-5-21-15(14(10(2)3)17(23)20-18(21)24)16(22)13-7-11(4)6-12(8-13)9-19/h6-8,10H,5H2,1-4H3,(H,20,23,24)"	""	""	""
"13090"	"AJ2-30"	""	"Synthetic organic"	""	""	""	""	"491299872"	"163902400"	""	""	""	""	""	""	""	"N-[(9-ethylcarbazol-3-yl)methyl]-1-methylbenzimidazol-2-amine"	""	"compound 4 [PMID: 38191941]"	"CCN1C2=C(C=CC=C2)C3=C1C=CC(CNC4=NC5=C(C=CC=C5)N4C)=C3"	"QKZNLVHPKAXDOL-UHFFFAOYSA-N"	"InChI=1S/C23H22N4/c1-3-27-20-10-6-4-8-17(20)18-14-16(12-13-21(18)27)15-24-23-25-19-9-5-7-11-22(19)26(23)2/h4-14H,3,15H2,1-2H3,(H,24,25)"	"yes"	""	""
"14267"	"AJ-292"	""	"Synthetic organic"	""	""	""	""	"521588907"	"135408125"	""	""	""	""	""	""	""	"N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide"	""	"AJ-292/40930647|AJ292|compound D11 [PMID: 41191481]"	"COC1=CC(=C(C=C1)OC)N=C2NC(=O)CC(S2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl"	"VUBCAJZSPQJUIG-UHFFFAOYSA-N"	"InChI=1S/C20H17ClF3N3O4S/c1-30-11-4-6-15(31-2)14(8-11)26-19-27-17(28)9-16(32-19)18(29)25-13-7-10(20(22,23)24)3-5-12(13)21/h3-8,16H,9H2,1-2H3,(H,25,29)(H,26,27,28)"	""	""	""
"970"	"(+)-AJ76"	""	"Synthetic organic"	""	""	""	""	"135649912"	"122334"	""	""	"CHEMBL27441"	""	""	""	""	"(1S,2R)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine"	""	""	"CCCN[C@@H]1CCc2c([C@@H]1C)cccc2OC"	"YGHLYBIUVOLKCV-SMDDNHRTSA-N"	"InChI=1S/C15H23NO/c1-4-10-16-14-9-8-13-12(11(14)2)6-5-7-15(13)17-3/h5-7,11,14,16H,4,8-10H2,1-3H3/t11-,14+/m0/s1"	""	""	""
"8746"	"ajmalicine"	""	"Natural product"	"yes"	""	""	""	"252827404"	"441975"	""	""	"CHEMBL123325"	""	""	""	""	""	""	"delta-yohimbine|raubasine|rauvasan|rauwolfia alkaloid"	"COC(=O)C1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1)C"	"GRTOGORTSDXSFK-XJTZBENFSA-N"	"InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1"	""	""	""
"14434"	"AK-1690"	""	"Synthetic organic"	""	""	""	""	"528429755"	"169067446"	""	""	""	""	""	""	""	"[[2-[[(2S)-1-[(2S,4S)-4-[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hept-6-ynoxy]-2-[(2R)-2-phenylmorpholine-4-carbonyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid"	""	""	"CC(C)(C)[C@@H](C(=O)N1C[C@H](C[C@H]1C(=O)N2CCO[C@@H](C2)C3=CC=CC=C3)OCCCCCC#CC4=C5CN(C(=O)C5=CC=C4)C6CCC(=O)NC6=O)NC(=O)C7=CC8=C(S7)C=CC(=C8)C(F)(F)P(=O)(O)O"	"BOMRVPKXCINUMI-STKXJIFCSA-N"	"InChI=1S/C51H56F2N5O11PS/c1-50(2,3)44(55-46(61)42-26-33-25-34(18-20-41(33)71-42)51(52,53)70(65,66)67)49(64)57-28-35(27-39(57)48(63)56-22-24-69-40(30-56)32-14-9-7-10-15-32)68-23-11-6-4-5-8-13-31-16-12-17-36-37(31)29-58(47(36)62)38-19-21-43(59)54-45(38)60/h7,9-10,12,14-18,20,25-26,35,38-40,44H,4-6,11,19,21-24,27-30H2,1-3H3,(H,55,61)(H,54,59,60)(H2,65,66,67)/t35-,38?,39-,40-,44+/m0/s1"	""	""	""
"8637"	"AK198"	""	"Synthetic organic"	""	""	""	""	"252166837"	"91820714"	""	""	""	""	""	""	""	"2-[2-[(4-amino-2-fluorophenyl)methylcarbamoyl]-5-chlorophenoxy]acetic acid"	""	""	"OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(cc1F)N"	"GFJYPJDGRCZNDI-UHFFFAOYSA-N"	"InChI=1S/C16H14ClFN2O4/c17-10-2-4-12(14(5-10)24-8-15(21)22)16(23)20-7-9-1-3-11(19)6-13(9)18/h1-6H,7-8,19H2,(H,20,23)(H,21,22)"	""	""	""
"12409"	"AK-2292"	""	"Synthetic organic"	""	""	""	""	"479821200"	"166594150"	""	""	""	""	""	""	""	"[[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl-methylamino]-3-oxopropyl]-[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid"	""	"AK2292"	"O=C1NC(CCC1N2C(C3=CC=CC(=C3C2)C#CCCCN(C(CCN(C(=O)[C@H]4N(CCC4)C([C@H](C(C)(C)C)NC(=O)C5=CC6=C(S5)C=CC(=C6)C(F)(F)P(O)(O)=O)=O)C7=CC=C(C=C7)C=8SC=CN8)=O)C)=O)=O"	"LOPYPDQOHNOVBM-QOIUHGAOSA-N"	"InChI=1S/C52H54F2N7O10PS2/c1-51(2,3)44(57-46(65)41-29-33-28-34(16-20-40(33)74-41)52(53,54)72(69,70)71)50(68)60-25-9-13-39(60)49(67)59(35-17-14-32(15-18-35)47-55-23-27-73-47)26-22-43(63)58(4)24-7-5-6-10-31-11-8-12-36-37(31)30-61(48(36)66)38-19-21-42(62)56-45(38)64/h8,11-12,14-18,20,23,27-29,38-39,44H,5,7,9,13,19,21-22,24-26,30H2,1-4H3,(H,57,65)(H,56,62,64)(H2,69,70,71)/t38?,39-,44+/m0/s1"	""	""	""
"8816"	"AKK(thioAc)LM<sup>21</sup>"	""	"Synthetic organic"	""	""	""	""	"252827474"	"44572818"	""	""	"CHEMBL504711"	""	""	""	""	"(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]-6-(ethanethioylamino)hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid"	""	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCSC)CC(C)C)CCCCNC(=S)C)NC(=O)[C@@H](N)C"	"IIESJRORKKINMK-SVXFZJLFSA-N"	"InChI=1S/C28H53N7O6S2/c1-17(2)16-23(27(39)34-22(28(40)41)12-15-43-5)35-26(38)21(11-7-9-14-31-19(4)42)33-25(37)20(10-6-8-13-29)32-24(36)18(3)30/h17-18,20-23H,6-16,29-30H2,1-5H3,(H,31,42)(H,32,36)(H,33,37)(H,34,39)(H,35,38)(H,40,41)/t18-,20-,21-,22-,23-/m0/s1"	""	""	""
"7969"	"AKN-028"	""	"Synthetic organic"	""	""	""	""	"249565652"	"44177328"	""	""	""	""	""	""	""	"3-N-(1H-indol-5-yl)-5-pyridin-4-ylpyrazine-2,3-diamine"	""	"AKN 028|AKN028"	"Nc1ncc(nc1Nc1ccc2c(c1)cc[nH]2)c1ccncc1"	"JLRIJKVMMZEKDF-UHFFFAOYSA-N"	"InChI=1S/C17H14N6/c18-16-17(22-13-1-2-14-12(9-13)5-8-20-14)23-15(10-21-16)11-3-6-19-7-4-11/h1-10,20H,(H2,18,21)(H,22,23)"	""	""	""
"5919"	"Akt inhibitor IV"	""	"Synthetic organic"	""	""	""	""	"178102542"	"2326992"	""	""	"CHEMBL1186409"	""	""	""	""	"5-(1,3-benzothiazol-2-yl)-3-ethyl-2-[(E)-2-[methyl(phenyl)amino]ethenyl]-1-phenyl-1H-1,3-benzodiazol-3-ium"	""	"GNF-PF-254"	"CC[n+]1c(/C=C/N(c2ccccc2)C)n(c2c1cc(cc2)c1nc2c(s1)cccc2)c1ccccc1"	"OTHITMYLBRCVIT-UHFFFAOYSA-N"	"InChI=1S/C31H27N4S/c1-3-34-28-22-23(31-32-26-16-10-11-17-29(26)36-31)18-19-27(28)35(25-14-8-5-9-15-25)30(34)20-21-33(2)24-12-6-4-7-13-24/h4-22H,3H2,1-2H3/q+1"	""	""	""
"5921"	"Akt inhibitor VIII"	""	"Synthetic organic"	""	""	""	""	"178102544"	"135398501"	""	""	"CHEMBL258844"	""	""	""	""	"1-{1-[(4-{6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl}phenyl)methyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one"	""	"isozyme-selective, Akti-1/2"	"O=c1[nH]c2c(n1C1CCN(CC1)Cc1ccc(cc1)c1nc3cc4[nH]cnc4cc3nc1c1ccccc1)cccc2"	"BIWGYFZAEWGBAL-UHFFFAOYSA-N"	"InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)"	""	""	""
"5922"	"Akt inhibitor X"	""	"Synthetic organic"	""	""	""	""	"178102545"	"10521421"	""	""	"CHEMBL1398474"	""	""	""	""	"[4-(2-chloro-10H-phenoxazin-10-yl)butyl]diethylamine"	""	"10-DEBC|NCGC00167772-01"	"CCN(CCCCN1c2ccccc2Oc2c1cc(Cl)cc2)CC"	"GYBXAGDWMCJZJK-UHFFFAOYSA-N"	"InChI=1S/C20H25ClN2O/c1-3-22(4-2)13-7-8-14-23-17-9-5-6-10-19(17)24-20-12-11-16(21)15-18(20)23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3"	""	""	""
"3386"	"AL12180"	""	"Synthetic organic"	""	""	""	""	"178100403"	"59107184"	""	""	""	""	""	""	""	"(Z)-7-[(2R,3S,4R)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-4-hydroxyoxolan-3-yl]hept-4-enoic acid"	""	"5,6-dihydro-4,5-didehydro-11-deoxy-11-oxa-16-(3-chlorophenoxy)-&omega;-tetranor-PGF2&alpha;|AL-12180"	"OC(=O)CC/C=C\CC[C@@H]1[C@@H](/C=C/[C@H](COc2cccc(c2)Cl)O)OC[C@@H]1O"	"GLYAVTUPQOQHAD-MOBTWWNESA-N"	"InChI=1S/C21H27ClO6/c22-15-6-5-7-17(12-15)27-13-16(23)10-11-20-18(19(24)14-28-20)8-3-1-2-4-9-21(25)26/h1-2,5-7,10-12,16,18-20,23-24H,3-4,8-9,13-14H2,(H,25,26)/b2-1-,11-10+/t16-,18+,19+,20-/m1/s1"	""	""	""
"160"	"AL-37350A"	""	"Synthetic organic"	""	""	""	""	"135649913"	"10331436"	""	""	"CHEMBL133455"	""	""	""	""	"(2S)-1-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)propan-2-amine"	""	"AL 37350A|AL37350A"	"C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N"	"VVHJUSGIUWQPIT-VIFPVBQESA-N"	"InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3/t9-/m0/s1"	""	""	""
"9219"	"AL-78898A"	""	"Peptide"	""	""	""	""	"315661295"	"0"	""	""	""	""	""	""	""	""	""	"4(1MeW)|POT-4"	""	""	""	"yes"	""	""
"1956"	"AL-8810"	""	"Synthetic organic"	""	""	""	""	"135649914"	"5311238"	""	""	"CHEMBL1332680"	""	""	""	""	"(Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid"	""	"AL 8810|AL8810"	"OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H]([C@@H]1/C=C/[C@@H](C1Cc2c(C1)cccc2)O)F"	"WTYSXBKKVNOOIX-JTGCGUAKSA-N"	"InChI=1S/C24H31FO4/c25-21-15-23(27)20(9-3-1-2-4-10-24(28)29)19(21)11-12-22(26)18-13-16-7-5-6-8-17(16)14-18/h1,3,5-8,11-12,18-23,26-27H,2,4,9-10,13-15H2,(H,28,29)/b3-1-,12-11+/t19-,20-,21+,22+,23+/m1/s1"	""	""	""
"8607"	"Ala(1-naph)-Pro-CN"	""	"Synthetic organic"	""	""	""	""	"252166808"	"74765859"	""	""	""	""	""	""	""	"(2S)-1-[(2S)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carbonitrile"	""	""	"N#C[C@@H]1CCCN1C(=O)[C@H](Cc1cccc2c1cccc2)N"	"ZVRWNKCHASBEDZ-RDJZCZTQSA-N"	"InChI=1S/C18H19N3O/c19-12-15-8-4-10-21(15)18(22)17(20)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,15,17H,4,8,10-11,20H2/t15-,17-/m0/s1"	""	""	""
"9503"	"alafosfalin"	""	"Peptide"	""	""	""	""	"329968442"	"71957"	""	""	""	""	""	""	""	"[(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]phosphonic acid"	"alafosfalin"	"alaphosphin"	"C[C@@H](P(=O)(O)O)NC(=O)[C@@H](N)C"	"BHAYDBSYOBONRV-IUYQGCFVSA-N"	"InChI=1S/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)/t3-,4+/m0/s1"	""	""	"yes"
"10756"	"alalevonadifloxacin"	""	"Synthetic organic"	""	""	""	""	"405560197"	"16734914"	""	""	""	""	""	""	""	""	"alalevonadifloxacin"	"WCK 2349|WCK-2349|WCK2349"	"O=C([C@@H](N)C)OC1CCN(CC1)c1c(F)cc2c3c1CC[C@@H](n3cc(c2=O)C(=O)O)C"	"OUXXDXXQNWKOIF-RYUDHWBXSA-N"	"InChI=1S/C22H26FN3O5/c1-11-3-4-14-18-15(20(27)16(21(28)29)10-26(11)18)9-17(23)19(14)25-7-5-13(6-8-25)31-22(30)12(2)24/h9-13H,3-8,24H2,1-2H3,(H,28,29)/t11-,12-/m0/s1"	""	""	"yes"
"6065"	"alamandine"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"178102686"	"44192273"	""	"ENSG00000135744|ENSMUSG00000031980|ENSRNOG00000018445"	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O"	"QVMYBFKDLPBYSO-GIGALADGSA-N"	"InChI=1S/C40H62N12O9/c1-6-22(4)32(37(58)49-29(18-25-19-44-20-46-25)38(59)52-16-8-10-30(52)39(60)61)51-35(56)28(17-24-11-13-26(53)14-12-24)48-36(57)31(21(2)3)50-34(55)27(47-33(54)23(5)41)9-7-15-45-40(42)43/h11-14,19-23,27-32,53H,6-10,15-18,41H2,1-5H3,(H,44,46)(H,47,54)(H,48,57)(H,49,58)(H,50,55)(H,51,56)(H,60,61)(H4,42,43,45)/t22-,23-,27-,28-,29-,30-,31-,32-/m0/s1"	""	""	""
"9342"	"alarelin"	""	"Peptide"	""	""	""	""	"328083445"	"9855027"	""	""	""	""	""	""	""	"(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide"	""	""	"CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)CO)C)CC(C)C)CCCN=C(N)N"	"QLGKMLRGKPKGKI-QWQCQAQZSA-N"	"InChI=1S/C56H78N16O12/c1-5-60-54(83)45-13-9-21-72(45)55(84)39(12-8-20-61-56(57)58)66-50(79)40(22-30(2)3)67-47(76)31(4)64-49(78)41(23-32-14-16-35(74)17-15-32)68-53(82)44(28-73)71-51(80)42(24-33-26-62-37-11-7-6-10-36(33)37)69-52(81)43(25-34-27-59-29-63-34)70-48(77)38-18-19-46(75)65-38/h6-7,10-11,14-17,26-27,29-31,38-45,62,73-74H,5,8-9,12-13,18-25,28H2,1-4H3,(H,59,63)(H,60,83)(H,64,78)(H,65,75)(H,66,79)(H,67,76)(H,68,82)(H,69,81)(H,70,77)(H,71,80)(H4,57,58,61)/t31-,38+,39+,40+,41+,42+,43+,44+,45+/m1/s1"	""	""	""
"6123"	"alarin"	"Rat"	"Peptide"	""	""	""	""	"178102744"	"155817486"	""	"ENSRNOG00000022129"	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)O"	"ZEJHQMBBBMTXNG-JSFGTRHUSA-N"	"InChI=1S/C119H199N45O35/c1-56(2)46-74(100(184)145-69(27-17-41-138-118(130)131)96(180)158-80(54-167)114(198)199)154-101(185)75(47-57(3)4)153-98(182)71(33-36-85(122)172)150-108(192)88(61(8)168)159-99(183)72(34-37-86(123)173)147-94(178)66(24-14-38-135-115(124)125)144-87(174)51-140-91(175)59(6)142-93(177)67(25-15-39-136-116(126)127)149-109(193)90(63(10)170)161-107(191)83-31-21-44-163(83)112(196)73(28-18-42-139-119(132)133)151-97(181)70(32-35-84(121)171)148-106(190)82-30-20-45-164(82)113(197)77(48-64-22-12-11-13-23-64)155-110(194)89(62(9)169)160-104(188)79(53-166)157-103(187)78(52-165)156-95(179)68(26-16-40-137-117(128)129)146-102(186)76(49-65-50-134-55-141-65)152-92(176)60(7)143-105(189)81-29-19-43-162(81)111(195)58(5)120/h11-13,22-23,50,55-63,66-83,88-90,165-170H,14-21,24-49,51-54,120H2,1-10H3,(H2,121,171)(H2,122,172)(H2,123,173)(H,134,141)(H,140,175)(H,142,177)(H,143,189)(H,144,174)(H,145,184)(H,146,186)(H,147,178)(H,148,190)(H,149,193)(H,150,192)(H,151,181)(H,152,176)(H,153,182)(H,154,185)(H,155,194)(H,156,179)(H,157,187)(H,158,180)(H,159,183)(H,160,188)(H,161,191)(H,198,199)(H4,124,125,135)(H4,126,127,136)(H4,128,129,137)(H4,130,131,138)(H4,132,133,139)/t58-,59-,60-,61+,62+,63+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,88-,89-,90-/m0/s1"	""	""	""
"2278"	"[Ala<sup>11,22,28</sup>]VIP"	""	"Peptide"	""	""	""	""	"135651977"	"0"	""	""	""	""	""	""	""	""	""	"[Ala<sup>11,22,28</sup>]vasoactive intestinal peptide"	""	""	""	""	""	""
"5575"	"[Ala<sup>1,12</sup>,Aib<sup>3</sup>,Gln<sup>10</sup>,hArg<sup>11</sup>,Trp<sup>14,</sup>Arg<sup>19</sup>]PTH-(1-21)-NH2 (human)"	""	"Peptide"	""	""	""	""	"178102211"	"0"	""	""	""	""	""	""	""	""	""	"[Ala<sup>1,12</sup>,Aib<sup>3</sup>,Gln<sup>10</sup>,hArg<sup>11</sup>,Trp<sup>14,</sup>Arg<sup>19</sup>]hPTH-(1-21)-NH2|[Ala<sup>1,12</sup>,Aib<sup>3</sup>,Gln<sup>10</sup>,hArg<sup>11</sup>,Trp<sup>14</sup>,Arg<sup>19</sup>]-PTH 1-21-NH2 (human)|M-PTH(1-21)"	""	""	""	""	""	""
"5574"	"[Ala<sup>1,12</sup>,Aib<sup>3</sup>,Gln<sup>10</sup>,hArg<sup>11</sup>,Trp<sup>14</sup>,Arg<sup>19</sup>]PTH-(1-28)-NH2 (human)"	""	"Peptide"	""	""	""	""	"178102210"	"0"	""	""	""	""	""	""	""	""	""	"[Ala<sup>1,12</sup>,Aib<sup>3</sup>,Gln<sup>10</sup>,hArg<sup>11</sup>,Trp<sup>14</sup>,Arg<sup>19</sup>]-hPTH 1-28-NH2|[Ala<sup>1,12</sup>,Aib<sup>3</sup>,Gln<sup>10</sup>,hArg<sup>11</sup>,Trp<sup>14</sup>,Arg<sup>19</sup>]-PTH 1-28-NH2 (human)|M-PTH(1-28)"	""	""	""	""	""	""
"5573"	"[Ala<sup>1,12</sup>,Aib<sup>3</sup>,Gln<sup>10</sup>,hArg<sup>11</sup>,Trp<sup>14</sup>,Arg<sup>19</sup>]PTH-(1-34)-NH2"	""	"Peptide"	""	""	""	""	"178102209"	"0"	""	""	""	""	""	""	""	""	""	"[Ala<sup>1,12</sup>,Aib<sup>3</sup>,Gln<sup>10</sup>,hArg<sup>11</sup>,Trp<sup>14</sup>,Arg<sup>19</sup>]-hPTH 1-34-NH2|M-PTH(1-34)"	""	""	""	""	""	""
"5576"	"[Ala<sup>1,12</sup>,Aib<sup>3</sup>,Gln<sup>10</sup>,hArg<sup>11</sup>,Trp<sup>14</sup>]PTH-(1-14)-NH2"	""	"Peptide"	""	""	""	""	"178102212"	"0"	""	""	""	""	""	""	""	""	""	"[Ala<sup>1,12</sup>,Aib<sup>3</sup>,Gln<sup>10</sup>,hArg<sup>11</sup>,Trp<sup>14</sup>]-hPTH 1-14-NH2|[Ala<sup>1,12</sup>,Aib<sup>3</sup>,Gln<sup>10</sup>,hArg<sup>11</sup>,Trp<sup>14</sup>]-PTH 1-14-NH2 (human)|M-PTH(1-14)"	""	""	""	""	""	""
"1700"	"[Ala<sup>11</sup>, D-Leu<sup>15</sup>]orexin-B"	""	"Peptide"	""	""	""	""	"135651978"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3837"	"[Ala<sup>1,3,11,15</sup>]ET-1"	""	"Peptide"	""	""	""	""	"178100680"	"0"	""	""	""	""	""	""	""	""	""	"[Ala<sup>1,3,11,15</sup>]endothelin-1"	""	""	""	""	""	""
"1560"	"[Ala<sup>31</sup>,Aib<sup>32</sup>]NPY"	""	"Peptide"	""	""	""	""	"135651979"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1522"	"[Ala<sup>31</sup>,Aib<sup>32</sup>]NPY (pig)"	""	"Peptide"	""	""	""	""	"135651980"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6146"	"[Ala<sup>6</sup>, D-Trp<sup>8</sup>]galanin-(1-15)-ol"	""	"Peptide"	""	""	""	""	"178102767"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7386"	"albiglutide"	""	"Peptide"	"yes"	""	""	""	"178103958"	"0"	""	""	"CHEMBL2107841"	""	""	""	""	""	"albiglutide"	"Eperzan&reg;|GSK716155|Tanzeum&reg;"	""	""	""	""	""	""
"10407"	"albitiazolium"	""	"Synthetic organic"	""	""	""	""	"385612169"	"11377023"	""	""	"CHEMBL1183040"	""	""	""	""	"2-[3-[12-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]dodecyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol"	"albitiazolium bromide"	"SAR97276|SAR97276A|T3"	"OCCc1sc[n+](c1C)CCCCCCCCCCCC[n+]1csc(c1C)CCO"	"UZPXHZIQHWKNPF-UHFFFAOYSA-N"	"InChI=1S/C24H42N2O2S2/c1-21-23(13-17-27)29-19-25(21)15-11-9-7-5-3-4-6-8-10-12-16-26-20-30-24(14-18-28)22(26)2/h19-20,27-28H,3-18H2,1-2H3/q+2"	""	"yes"	""
"14256"	"alboverticillin"	""	"Peptide"	""	""	""	""	"521588896"	"168280023"	""	""	"CHEMBL5188481"	""	""	""	""	""	""	"triculamin"	"CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)CCCCN)CO)CCCCN)CCCCN)CO"	"ICDIBSXJAWASKP-HESAYSFXSA-N"	"InChI=1S/C72H129N27O21/c1-5-40(4)58(69(119)94-42(21-14-28-81-71(77)78)60(110)83-32-52(103)88-41(17-6-10-24-73)59(109)84-34-54(105)97-57(39(2)3)68(118)93-43(22-15-29-82-72(79)80)61(111)87-36-56(107)108)98-55(106)35-85-62(112)47-31-51(102)90-48(37-100)65(115)92-44(18-7-11-25-74)63(113)91-45(19-8-12-26-75)64(114)96-49(38-101)66(116)95-46(20-9-13-27-76)70(120)99-30-16-23-50(99)67(117)86-33-53(104)89-47/h39-50,57-58,100-101H,5-38,73-76H2,1-4H3,(H,83,110)(H,84,109)(H,85,112)(H,86,117)(H,87,111)(H,88,103)(H,89,104)(H,90,102)(H,91,113)(H,92,115)(H,93,118)(H,94,119)(H,95,116)(H,96,114)(H,97,105)(H,98,106)(H,107,108)(H4,77,78,81)(H4,79,80,82)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,57-,58-/m0/s1"	""	""	"yes"
"10226"	"albutensin A"	""	"Peptide"	""	""	""	""	"381744908"	"15234606"	""	""	""	""	""	""	""	"L-alanyl-L-leucyl-L-lysyl-L-alanyl-L-tryptophyl-L-seryl-L-valyl-L-alanyl-L-arginine"	""	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)C)C(C)C)CO)Cc1c[nH]c2c1cccc2)C)NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(C)C"	"CWUCHJAUTZCVMY-YUIUFFEESA-N"	"InChI=1S/C46H76N14O11/c1-23(2)19-33(57-37(62)25(5)48)41(66)55-31(15-10-11-17-47)40(65)53-26(6)39(64)58-34(20-28-21-52-30-14-9-8-13-29(28)30)42(67)59-35(22-61)43(68)60-36(24(3)4)44(69)54-27(7)38(63)56-32(45(70)71)16-12-18-51-46(49)50/h8-9,13-14,21,23-27,31-36,52,61H,10-12,15-20,22,47-48H2,1-7H3,(H,53,65)(H,54,69)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,60,68)(H,70,71)(H4,49,50,51)/t25-,26-,27-,31-,32-,33-,34-,35-,36-/m0/s1"	""	""	""
"7587"	"alcaftadine"	""	"Synthetic organic"	"yes"	""	""	""	"223365922"	"19371515"	""	""	"CHEMBL1201747"	""	""	""	""	"11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,3-b][3]benzazepine-3-carbaldehyde"	"alcaftadine"	"Lastacaft&reg;|R-89674"	"O=Cc1cnc2n1CCc1c(C2=C2CCN(CC2)C)cccc1"	"MWTBKTRZPHJQLH-UHFFFAOYSA-N"	"InChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3"	"yes"	""	""
"14682"	"alcedaplin"	""	"Synthetic organic"	""	""	""	""	"530846930"	"169031025"	""	""	""	""	""	""	""	""	"alcedaplin"	"compound 352 [WO2023141432]|MXE-829|MXE829|MZE829"	"C=1C(OCCN2CCC3(C=4C=C(Cl)C=CC4NC3=O)CC2)=CC=5N=CN([C@@H]6C[C@](C)(O)C6)C5C1C(F)(F)F"	"SFKXAXOEKZVXDA-CKQQTVSASA-N"	"InChI=1S/C27H28ClF3N4O3/c1-25(37)13-17(14-25)35-15-32-22-12-18(11-20(23(22)35)27(29,30)31)38-9-8-34-6-4-26(5-7-34)19-10-16(28)2-3-21(19)33-24(26)36/h2-3,10-12,15,17,37H,4-9,13-14H2,1H3,(H,33,36)/t17-,25+"	""	""	""
"13437"	"alchivemycin A"	""	"Natural product"	""	""	""	""	"500839847"	"163195538"	""	""	""	""	""	""	""	""	""	""	"[H][C@]12C[C@@H](C)C[C@@H](C)[C@@]1([H])[C@@H]3C(=O)C4=C(O)CN(OC4=O)[C@@H]([C@@H](O)[C@@H](O)\C(\C)=C\C)[C@@H](O)[C@H](O)[C@@H](C)CCCC[C@@H]5O[C@]5(C)[C@@]3([H])[C@@H]6O[C@H]26"	"ZEXKBCGEARGIOX-IGRLKBMTSA-N"	"InChI=1S/C35H53NO10/c1-7-16(3)27(38)30(41)26-31(42)28(39)17(4)10-8-9-11-21-35(6,45-21)25-24(29(40)23-20(37)14-36(26)46-34(23)43)22-18(5)12-15(2)13-19(22)32-33(25)44-32/h7,15,17-19,21-22,24-28,30-33,37-39,41-42H,8-14H2,1-6H3/b16-7+/t15-,17-,18+,19-,21-,22+,24-,25+,26-,27-,28+,30+,31+,32+,33-,35-/m0/s1"	""	""	"yes"
"14045"	"alcudacigib"	""	"Synthetic organic"	""	""	""	""	"518520672"	"156540667"	""	""	""	""	""	""	""	"N-[2-[(3S)-3-(aminomethyl)piperidin-1-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide"	""	"example 9 [WO2021132422A1]"	"C1C[C@H](CN(C1)C2=C(C=CC(=C2C(F)(F)F)OC3=CC=CC=C3)NC(=O)C4=CSC(=N4)C5=CN=NC=C5)CN"	"COWCRHWOKQJCGT-KRWDZBQOSA-N"	"InChI=1S/C27H25F3N6O2S/c28-27(29,30)23-22(38-19-6-2-1-3-7-19)9-8-20(24(23)36-12-4-5-17(13-31)15-36)34-25(37)21-16-39-26(35-21)18-10-11-32-33-14-18/h1-3,6-11,14,16-17H,4-5,12-13,15,31H2,(H,34,37)/t17-/m0/s1"	""	""	""
"341"	"alcuronium"	""	"Natural product"	""	""	""	""	"135652664"	"5311001"	""	""	""	""	""	""	""	"(1S,9Z,11S,13S,17S,25Z,27S,33S,35S,38S)-28,37-bis(2-hydroxyethylidene)-14,30-bis(prop-2-en-1-yl)-8,14,24,30-tetraazaundecacyclo[25.5.2.2^{11,14}.1^{1,8}.1^{10,17}.0^{2,7}.0^{13,17}.0^{18,23}.0^{30,33}.0^{24,35}.0^{26,38}]octatriaconta-2,4,6,9,18,20,22,25-octaene-14,30-diium"	"alcuronium chloride"	""	"C=CC[N+]12CC[C@@]34[C@@H]2C[C@@H](C(=CCO)C1)C1=CN2c5ccccc5[C@]56[C@@H]2C(=CN([C@H]31)c1c4cccc1)[C@H]1C[C@@H]6[N+](CC1=CCO)(CC5)CC=C"	"MUQUYTSLDVKIOF-NCQXAQDZSA-N"	"InChI=1S/C44H50N4O2/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2/q+2/b29-13?,30-14?,33-25-,34-26-/t31-,32-,39-,40-,41-,42-,43+,44+,47?,48?/m0/s1"	""	""	""
"11546"	"aldafermin"	""	"Peptide"	""	""	""	""	"441604918"	"0"	""	""	""	""	""	""	""	""	"aldafermin"	"M70|NGM-282|NGM282"	""	""	""	""	""	""
"2872"	"aldosterone"	""	"Metabolite"	""	""	""	""	"135651432"	"5839"	""	""	"CHEMBL273453"	""	""	""	""	"(8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde"	"aldosterone"	""	"OCC(=O)[C@H]1CC[C@@H]2[C@]1(C=O)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C"	"PQSUYGKTWSAVDQ-ZVIOFETBSA-N"	"InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1"	""	""	""
"12778"	"aldumastat"	""	"Synthetic organic"	""	""	""	""	"483123326"	"121448788"	""	""	"CHEMBL4650334"	""	""	""	""	"(5S)-5-cyclopropyl-5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione"	"aldumastat"	"GLPG-1972|GLPG1972|S201086"	"C[C@H]1CN(CCN1C2=CC(=CC(=C2)F)F)C(=O)CC[C@@]3(C(=O)NC(=O)N3)C4CC4"	"CMLVKUWQFZQPPS-YUNKPMOVSA-N"	"InChI=1S/C20H24F2N4O3/c1-12-11-25(6-7-26(12)16-9-14(21)8-15(22)10-16)17(27)4-5-20(13-2-3-13)18(28)23-19(29)24-20/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1"	""	""	""
"7739"	"alectinib"	""	"Synthetic organic"	"yes"	""	""	""	"223366072"	"49806720"	""	""	"CHEMBL1738797"	""	""	""	""	"9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile"	"alectinib"	"AF802|Alecensa&reg;|CH5424802"	"CCc1cc2C(=O)c3c4ccc(cc4[nH]c3C(c2cc1N1CCC(CC1)N1CCOCC1)(C)C)C#N"	"KDGFLJKFZUIJMX-UHFFFAOYSA-N"	"InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3"	""	""	""
"6787"	"alefacept"	""	"Peptide"	"yes"	"yes"	""	""	"178103393"	"0"	""	""	"CHEMBL1201571"	""	""	""	""	""	"alefacept"	"Amevive&reg;|BG 9273|BG 9712|BG-9273|BG-9712|Lfa3Tip"	""	""	""	"yes"	""	""
"7405"	"aleglitazar"	""	"Synthetic organic"	""	""	""	""	"178103977"	"10274777"	""	""	"CHEMBL519504"	""	""	""	""	"(2S)-2-methoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]propanoic acid"	"aleglitazar"	"R-1439|Ro-0728804"	"CO[C@H](C(=O)O)Cc1ccc(c2c1scc2)OCCc1nc(oc1C)c1ccccc1"	"DAYKLWSKQJBGCS-NRFANRHFSA-N"	"InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1"	""	""	""
"1444"	"alemcinal"	""	"Synthetic organic"	""	""	""	""	"135649877"	"9918079"	""	""	"CHEMBL300049"	""	""	""	""	"(1R,2R,3S,4S,5R,8R,9R,10S,11R)-8-ethyl-2-[(2S,3R,4S,6R)-4-(ethyl-methylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-hydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one"	"alemcinal"	"ABT 229|ABT-229|ABT229"	"CCN([C@H]1C[C@@H](C)O[C@H]([C@@H]1O)O[C@@H]1[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)C[C@](C2)(C)OC)[C@@H](C)C(=O)O[C@@H]([C@@H]([C@@H]([C@H](C2=C(C[C@@]1(C)O2)C)C)O)C)CC)C"	"IWTSXJNGTTXMFK-KTQUSEMZSA-N"	"InChI=1S/C38H67NO10/c1-14-28-23(6)30(40)24(7)32-20(3)17-38(11,49-32)34(48-36-31(41)27(39(12)15-2)16-21(4)45-36)25(8)33(26(9)35(42)46-28)47-29-19-37(10,43-13)18-22(5)44-29/h21-31,33-34,36,40-41H,14-19H2,1-13H3/t21-,22+,23+,24-,25+,26-,27+,28-,29+,30+,31-,33+,34-,36+,37+,38-/m1/s1"	""	""	""
"6770"	"alemtuzumab"	""	"Antibody"	"yes"	""	""	""	"178103376"	"0"	""	""	""	""	""	""	""	""	"alemtuzumab"	"campath 1H|Campath&reg;|campath-1H|Lemtrada&reg;"	""	""	""	"yes"	""	""
"3141"	"alendronate"	""	"Synthetic organic"	"yes"	""	""	""	"135649795"	"2088"	""	""	"CHEMBL870"	""	""	""	""	"(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid"	"alendronic acid"	"ABDP|BPH 1|Fosamax&reg;|MK-217"	"NCCCC(P(=O)(O)O)(P(=O)(O)O)O"	"OGSPWJRAVKPPFI-UHFFFAOYSA-N"	"InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)"	""	""	""
"14436"	"aleniglipron"	""	"Synthetic organic"	""	""	""	""	"528429757"	"164809721"	""	""	"CHEMBL6068040"	""	""	""	""	"3-[(1S,2S)-1-[2-[(4S)-3-[3-[4-diethylphosphoryl-3-(methylamino)phenyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one"	"aleniglipron"	"compound 121a [WO2023016546]|GSBR-1290|GSBR1001290|GSBR1290"	"CCP(=O)(CC)C1=C(C=C(C=C1)N2C=CN(C2=O)C3=C4[C@@H](N(CCC4=NN3C5=CC(=C(C(=C5)C)F)C)C(=O)C6=CC7=C(N6[C@]8(C[C@@H]8C)C9=NOC(=O)N9)C=CC(=C7)C%10CCOCC%10)C)NC"	"CPOJUYUGONJVPZ-WIXASUBBSA-N"	"InChI=1S/C49H55FN9O6P/c1-8-66(63,9-2)41-13-11-35(26-38(41)51-7)56-18-19-57(48(56)62)44-42-31(6)55(17-14-37(42)53-59(44)36-22-28(3)43(50)29(4)23-36)45(60)40-25-34-24-33(32-15-20-64-21-16-32)10-12-39(34)58(40)49(27-30(49)5)46-52-47(61)65-54-46/h10-13,18-19,22-26,30-32,51H,8-9,14-17,20-21,27H2,1-7H3,(H,52,54,61)/t30-,31-,49-/m0/s1"	""	""	""
"8600"	"Alexa-488-telenzepine"	""	"Synthetic organic"	""	""	"yes"	""	"252166801"	"91827379"	""	""	""	""	""	""	""	""	""	""	"O=C(c1ccc(c(c1)C(=O)[O-])c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S([O-])([O-])[O-])S([O-])([O-])[O-])N)NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2"	"SRLBGILQMKQWSJ-UHFFFAOYSA-H"	"InChI=1S/C49H57N7O12S3/c1-29-42-35(28-69-29)48(59)53-38-12-8-9-13-39(38)56(42)40(57)27-55-24-22-54(23-25-55)21-11-7-5-3-2-4-6-10-20-52-47(58)30-14-15-31(34(26-30)49(60)61)41-32-16-18-36(50)45(70(62,63)64)43(32)68-44-33(41)17-19-37(51)46(44)71(65,66)67/h8-9,12-19,26,28,50,62-67H,2-7,10-11,20-25,27,51H2,1H3,(H,52,58)(H,53,59)(H,60,61)/p-6"	""	""	""
"7108"	"alfentanil"	""	"Synthetic organic"	"yes"	""	""	""	"178103685"	"51263"	""	""	"CHEMBL634"	""	""	""	""	"N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl}-N-phenylpropanamide"	"alfentanil"	"Alfenta&reg;|R-39209|Rapifen&reg;"	"COCC1(CCN(CC1)CCn1nnn(c1=O)CC)N(c1ccccc1)C(=O)CC"	"IDBPHNDTYPBSNI-UHFFFAOYSA-N"	"InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3"	""	""	""
"7109"	"alfuzosin"	""	"Synthetic organic"	"yes"	""	""	""	"178103686"	"2092"	""	""	"CHEMBL709"	""	""	""	""	"N-{3-[(4-imino-6,7-dimethoxy-3,4-dihydroquinazolin-2-yl)(methyl)amino]propyl}oxolane-2-carboximidic acid"	"alfuzosin"	"SL-77499-10|SL-7749910|Uroxatral&reg;"	"COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C"	"WNMJYKCGWZFFKR-UHFFFAOYSA-N"	"InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)"	""	""	""
"12043"	"ALG-097558"	""	"Synthetic organic"	""	""	""	""	"472319166"	"162695402"	""	""	""	""	""	""	""	"(2S)-2-{[(1S,3aR,6aS)-2-(1H-indole-2-carbonyl)-octahydrocyclopenta[c]pyrrol-1-yl]formamido}-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propane-1-sulfonic acid"	""	"ALG097558|compound 58 [WO2021252491A1]"	"[nH]1c(cc2ccccc12)C(=O)N1[C@@H]([C@@H]2[C@H](C1)CCC2)C(=O)N[C@H](C(S(=O)(=O)O)O)C[C@H]1C(=O)NCCC1"	"YRZQYTTUZBVUFK-KVAWWVGVSA-N"	"InChI=1S/C25H32N4O7S/c30-22-15(7-4-10-26-22)12-20(25(33)37(34,35)36)28-23(31)21-17-8-3-6-16(17)13-29(21)24(32)19-11-14-5-1-2-9-18(14)27-19/h1-2,5,9,11,15-17,20-21,25,27,33H,3-4,6-8,10,12-13H2,(H,26,30)(H,28,31)(H,34,35,36)/t15-,16-,17-,20-,21-,25?/m0/s1"	""	""	""
"7561"	"alglucosidase alfa"	""	"Peptide"	"yes"	""	""	""	"223365897"	"0"	""	""	"CHEMBL1201824"	""	""	""	""	""	"alglucosidase alfa"	"Lumizyme&reg;|Myozyme&reg;|rhGAA"	""	""	""	""	""	""
"14703"	"alicaforsen"	""	"Nucleic acid"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"alicaforsen"	"ISIS 2302|ISIS2302"	""	""	""	"yes"	""	""
"7237"	"alimemazine"	""	"Synthetic organic"	"yes"	""	""	""	"178103811"	"5574"	""	""	"CHEMBL829"	""	""	""	""	"dimethyl[2-methyl-3-(10H-phenothiazin-10-yl)propyl]amine"	"alimemazine"	"Nedeltran&reg;|trimeprazine"	"CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C"	"ZZHLYYDVIOPZBE-UHFFFAOYSA-N"	"InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3"	"yes"	""	""
"6744"	"alirocumab"	""	"Antibody"	"yes"	""	""	""	"178103355"	"0"	""	""	""	""	""	""	""	""	"alirocumab"	"Praluent&reg;|REGN727|SAR-236553|SAR236553"	""	""	""	""	""	""
"7790"	"alisertib"	""	"Synthetic organic"	""	""	""	""	"223366121"	"24771867"	""	""	"CHEMBL483158"	""	""	""	""	"4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid"	"alisertib"	"MLN-8237"	"COc1cccc(c1C1=NCc2c(c3c1cc(Cl)cc3)nc(nc2)Nc1ccc(c(c1)OC)C(=O)O)F"	"ZLHFILGSQDJULK-UHFFFAOYSA-N"	"InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)"	""	""	""
"4812"	"aliskiren"	""	"Synthetic organic"	"yes"	""	""	""	"178101514"	"5493444"	""	""	"CHEMBL1639"	""	""	""	""	"(2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide"	"aliskiren"	"CGP-060536B|SPP100|Tekturna&reg;"	"COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@@H]([C@H](C[C@H](C(=O)NCC(C(=O)N)(C)C)C(C)C)O)N"	"UXOWGYHJODZGMF-QORCZRPOSA-N"	"InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1"	""	""	""
"2645"	"alitretinoin"	""	"Metabolite"	"yes"	""	""	""	"135651418"	"449171"	""	""	"CHEMBL705"	""	""	""	""	"(2E,4E,6Z,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid"	"alitretinoin"	"9-cis-retinoic acid|Panretin&reg;|Toctino&reg;"	"C/C(=C/C=C/C(=C/C(=O)O)/C)/C=C/C1=C(C)CCCC1(C)C"	"SHGAZHPCJJPHSC-ZVCIMWCZSA-N"	"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+"	""	""	""
"13879"	"alixorexton"	""	"Synthetic organic"	""	""	""	""	"513757564"	"156417714"	""	""	""	""	""	""	""	""	"alixorexton"	"ALKS 2680|ALKS-2680|ALKS2680|compound 2 [WO2021108628A1]"	"CS(=O)(=O)N[C@H]1CCCN2[C@H]1COC3CCC(CC3)C4=CC=CC=C4OCC2=O"	"IHNJMACFBQEKRJ-VHZYLWGESA-N"	"InChI=1S/C21H30N2O5S/c1-29(25,26)22-18-6-4-12-23-19(18)13-27-16-10-8-15(9-11-16)17-5-2-3-7-20(17)28-14-21(23)24/h2-3,5,7,15-16,18-19,22H,4,6,8-14H2,1H3/t15?,16?,18-,19-/m0/s1"	""	""	""
"11141"	"alizapride"	""	"Synthetic organic"	"yes"	""	""	""	"434122201"	"43008"	""	""	""	""	""	""	""	"6-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-2H-benzotriazole-5-carboxamide"	"alizapride"	"Limican&reg;|Litican&reg;|Nausilex&reg;|Plitican&reg;|Superan&reg;|Vergentan&reg;"	"C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC"	"KSEYRUGYKHXGFW-UHFFFAOYSA-N"	"InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)"	""	""	""
"2362"	"alkylbenzene sulfonate"	""	"Synthetic organic"	""	""	""	""	"135649915"	"16652"	""	""	""	""	""	""	""	"4-dodecan-6-ylbenzenesulfonic acid"	""	""	"CCCCCCC(c1ccc(cc1)S(=O)(=O)O)CCCCC"	"GHNRTXCRBJQVGN-UHFFFAOYSA-N"	"InChI=1S/C18H30O3S/c1-3-5-7-9-11-16(10-8-6-4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)"	""	""	""
"6994"	"alkyl glycerol phosphate 18:1"	""	"Synthetic organic"	""	""	""	""	"178103573"	"10717228"	""	""	""	""	""	""	""	"[(2S)-2-hydroxy-3-octadecoxypropyl] dihydrogen phosphate"	""	"AGP 18.1"	"CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)O)O"	"HUUYDUFSUADEJQ-NRFANRHFSA-N"	"InChI=1S/C21H45O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h21-22H,2-20H2,1H3,(H2,23,24,25)/t21-/m0/s1"	""	""	""
"2913"	"alkyl OMPT"	""	"Synthetic organic"	""	""	""	""	"135649916"	"56947064"	""	""	""	""	""	""	""	"[(2S)-2-methoxy-3-[(9Z)-octadec-9-en-1-yloxy]propoxy](sulfanylidene)phosphonous acid"	""	""	"CCCCCCCC/C=C\CCCCCCCCOC[C@@H](COP(=S)(O)O)OC"	"FEHMGBUAJYEJMW-YRBAHSOBSA-N"	"InChI=1S/C22H45O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20-22(25-2)21-27-28(23,24)29/h10-11,22H,3-9,12-21H2,1-2H3,(H2,23,24,29)/b11-10-/t22-/m0/s1"	""	""	""
"2419"	"allicin"	""	"Natural product"	""	""	""	""	"135651433"	"65036"	""	""	"CHEMBL359965"	""	""	""	""	"3-prop-2-enylsulfinylsulfanylprop-1-ene"	""	""	"C=CCSS(=O)CC=C"	"JDLKFOPOAOFWQN-UHFFFAOYSA-N"	"InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2"	""	""	""
"9912"	"allitinib"	""	"Synthetic organic"	""	""	""	""	"363894206"	"24739943"	""	""	"CHEMBL1947204"	""	""	""	""	"N-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]quinazolin-6-yl]prop-2-enamide"	""	"ALL-3|AST-1306|AST1306"	"C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F"	"MVZGYPSXNDCANY-UHFFFAOYSA-N"	"InChI=1S/C24H18ClFN4O2/c1-2-23(31)29-17-6-8-21-19(11-17)24(28-14-27-21)30-18-7-9-22(20(25)12-18)32-13-15-4-3-5-16(26)10-15/h2-12,14H,1,13H2,(H,29,31)(H,27,28,30)"	""	""	""
"2350"	"all-<i>trans</i>-retinal"	""	"Metabolite"	""	""	""	""	"135651434"	"638015"	""	""	"CHEMBL81379"	""	""	""	""	"3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal"	""	"all-trans-retinal|retinaldehyde"	"O=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C"	"NCYCYZXNIZJOKI-OVSJKPMPSA-N"	"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+"	""	""	""
"6795"	"allopurinol"	""	"Synthetic organic"	"yes"	""	""	""	"178103401"	"135401907"	""	""	"CHEMBL1467"	""	""	""	""	"1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one"	"allopurinol"	"Aloprim&reg;|BW-56-158|BW-56158|Zyloprim&reg;"	"O=c1ncnc2c1c[nH][nH]2"	"OFCNXPDARWKPPY-UHFFFAOYSA-N"	"InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)"	""	""	""
"12071"	"allosteric modulator 33 [PMID: 35878399]"	""	"Synthetic organic"	""	""	""	""	"472319193"	"164885943"	""	""	""	""	""	""	""	"4-(((2S,3S)-3-((S)-1-(3,5-Dichlorophenyl)-2-hydroxyethoxy)-2-phenylpiperidin-1-yl)methyl)-3-nitrobenzoic Acid"	""	"compound 33 [PMID: 35878399]"	"OC[C@H](c1cc(Cl)cc(Cl)c1)O[C@@H]1[C@H](c2ccccc2)N(Cc2c([N+](=O)[O-])cc(C(=O)O)cc2)CCC1"	"REDPQDQMPNUDEP-NXCFDTQHSA-N"	"InChI=1S/C27H26Cl2N2O6/c28-21-11-20(12-22(29)14-21)25(16-32)37-24-7-4-10-30(26(24)17-5-2-1-3-6-17)15-19-9-8-18(27(33)34)13-23(19)31(35)36/h1-3,5-6,8-9,11-14,24-26,32H,4,7,10,15-16H2,(H,33,34)/t24-,25+,26-/m0/s1"	""	""	""
"8543"	"alloswitch-1"	""	"Synthetic organic"	""	""	""	""	"252166744"	"76853680"	""	""	""	""	""	""	""	"2-chloro-N-{2-methoxy-4-[(E)-2-(pyridin-2-yl)diazen-1-yl]phenyl}benzamide"	""	"<i>trans</i>-alloswitch-1"	"COc1cc(/N=N/c2ccccn2)ccc1NC(=O)c1ccccc1Cl"	"JJRNGNCTPCWXGM-WCWDXBQESA-N"	"InChI=1S/C19H15ClN4O2/c1-26-17-12-13(23-24-18-8-4-5-11-21-18)9-10-16(17)22-19(25)14-6-2-3-7-15(14)20/h2-12H,1H3,(H,22,25)/b24-23+"	""	""	""
"456"	"alloxazine"	""	"Synthetic organic"	""	""	""	""	"135649917"	"5372720"	""	""	"CHEMBL68500"	""	""	""	""	"1H-Benzo[g]pteridine-2,4-dione"	""	"alloxazin|isoalloxazine"	"O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1"	"HAUGRYOERYOXHX-UHFFFAOYSA-N"	"InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)"	""	""	""
"2741"	"all-trans-4-oxo-retinoic acid"	""	"Synthetic organic"	""	""	""	""	"135649918"	"6437063"	""	""	"CHEMBL104049"	""	""	""	""	"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid"	""	"4-oxoretinoic acid|Ro 12-4824"	"C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)C(=O)CCC1(C)C"	"GGCUJPCCTQNTJF-FRCNGJHJSA-N"	"InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+"	""	""	""
"2420"	"allyl isothiocyanate"	""	"Synthetic organic"	""	""	""	""	"135649919"	"5971"	""	""	"CHEMBL233248"	""	""	""	""	"3-isothiocyanatoprop-1-ene"	""	"AITC"	"C=CCN=C=S"	"ZOJBYZNEUISWFT-UHFFFAOYSA-N"	"InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2"	""	""	""
"11485"	"ALM201"	""	"Peptide"	""	""	""	""	"440816853"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14641"	"ALM5"	""	"Synthetic organic"	""	""	""	""	"530846889"	"179075710"	""	""	""	""	""	""	""	""	""	"compound 6 [PMID: 29200206]"	"C=1C(=CC=CC1)[C@H](CC(N2CCC(CC3N=NC4=C(C=5C=CC(C)=CC5)N(C)N=C4C3=O)(O)CC2)=O)C(F)(F)F"	"UWUTXJCGBCFOAX-HMTLIYDFSA-N"	"InChI=1S/C29H30F3N5O3/c1-18-8-10-20(11-9-18)26-24-25(35-36(26)2)27(39)22(33-34-24)17-28(40)12-14-37(15-13-28)23(38)16-21(29(30,31)32)19-6-4-3-5-7-19/h3-11,21-22,40H,12-17H2,1-2H3/t21-,22?/m0/s1"	""	""	""
"2886"	"almorexant"	""	"Synthetic organic"	""	""	""	""	"135649893"	"23727689"	""	""	"CHEMBL455136"	""	""	""	""	"(2R)-2-[(1S)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide"	"almorexant"	"ACT-078573"	"CNC(=O)[C@H](N1CCc2c([C@@H]1CCc1ccc(cc1)C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1"	"DKMACHNQISHMDN-RPLLCQBOSA-N"	"InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1"	""	""	""
"7110"	"almotriptan"	""	"Synthetic organic"	"yes"	""	""	""	"178103687"	"123606"	""	""	"CHEMBL1505"	""	""	""	""	"dimethyl(2-{5-[(pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}ethyl)amine"	"almotriptan"	"Almogran&reg;|Axert&reg;|LAS-31416|PNU-180638E"	"CN(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N1CCCC1)C"	"WKEMJKQOLOHJLZ-UHFFFAOYSA-N"	"InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3"	""	""	""
"120"	"alniditan"	""	"Synthetic organic"	""	""	""	""	"135649920"	"66004"	""	""	"CHEMBL88240"	""	""	""	""	"N-[[(2R)-chroman-2-yl]methyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine"	"alniditan"	"R-91274"	"C(NC[C@H]1CCc2c(O1)cccc2)CCNC1=NCCCN1"	"QVSXOXCYXPQXMF-OAHLLOKOSA-N"	"InChI=1S/C17H26N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21)/t15-/m1/s1"	""	""	""
"13731"	"alnodesertib"	""	"Synthetic organic"	""	""	""	""	"507750365"	"145766632"	""	""	""	""	""	""	""	""	"alnodesertib"	"ART-0380|ART0380|compound 6 [PMID: 39630604]|example 39b [WO2019014618A1]"	"C[C@@H]1COCCN1C2=NC(=NC(=C2)N=[S@](=O)(C)C3CC3)C4=CC(=NC=C4)N"	"JHPDHYAMSPMBIF-MUDIAHQHSA-N"	"InChI=1S/C18H24N6O2S/c1-12-11-26-8-7-24(12)17-10-16(23-27(2,25)14-3-4-14)21-18(22-17)13-5-6-20-15(19)9-13/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H2,19,20)/t12-,27+/m1/s1"	""	""	""
"11622"	"alofanib"	""	"Synthetic organic"	""	""	""	""	"442878656"	"86280646"	""	""	"CHEMBL4594436"	""	""	""	""	""	"alofanib"	"RPT-835|RPT835"	"[O-][N+](=O)c1cc(C)c(cc1NS(=O)(=O)c1cccc(c1)C(=O)O)c1cccnc1"	"QUQGQIASFYWKAB-UHFFFAOYSA-N"	"InChI=1S/C19H15N3O6S/c1-12-8-18(22(25)26)17(10-16(12)14-5-3-7-20-11-14)21-29(27,28)15-6-2-4-13(9-15)19(23)24/h2-11,21H,1H3,(H,23,24)"	""	""	""
"6319"	"alogliptin"	""	"Synthetic organic"	"yes"	""	""	""	"178102937"	"11450633"	""	""	"CHEMBL376359"	""	""	""	""	"2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)benzonitrile"	"alogliptin"	"Nesina&reg;|SYR-322|Vipidia&reg;"	"N#Cc1ccccc1Cn1c(cc(=O)n(c1=O)C)N1CCC[C@H](C1)N"	"ZSBOMTDTBDDKMP-OAHLLOKOSA-N"	"InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1"	""	""	""
"12498"	"aloin"	""	"Natural product"	""	""	""	""	"479821288"	"9866696"	""	""	"CHEMBL497001"	""	""	""	""	"1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one"	""	"aloin A/B"	"C1=CC2=C(C(=C1)O)C(=O)C3=C(C2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO"	"AFHJQYHRLPMKHU-CGISPIQUSA-N"	"InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14?,17-,19+,20-,21+/m1/s1"	""	""	""
"5923"	"aloisine"	""	"Synthetic organic"	""	""	""	""	"178102546"	"3641059"	""	""	"CHEMBL306498"	""	""	""	""	"7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine"	""	"IN1538|RP106"	"CCCCc1c([nH]c2c1nccn2)c1ccc(cc1)OC"	"WVMANZPBOBRWCB-UHFFFAOYSA-N"	"InChI=1S/C17H19N3O/c1-3-4-5-14-15(12-6-8-13(21-2)9-7-12)20-17-16(14)18-10-11-19-17/h6-11H,3-5H2,1-2H3,(H,19,20)"	""	""	""
"5924"	"aloisine A"	""	"Synthetic organic"	""	""	""	""	"178102547"	"448912"	""	""	"CHEMBL75680"	""	""	""	""	"4-{7-butyl-1H,5H,6H-pyrrolo[2,3-b]pyrazin-6-ylidene}cyclohexa-2,5-dien-1-one"	""	"RP107"	"CCCCc1c(=C2C=CC(=O)C=C2)[nH]c2c1[nH]ccn2"	"AYIIQABSVDIZSY-UHFFFAOYSA-N"	"InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,17H,2-4H2,1H3,(H,18,19)"	""	""	""
"2296"	"alosetron"	""	"Synthetic organic"	"yes"	""	""	""	"135649921"	"2099"	""	""	"CHEMBL1110"	""	""	""	""	"5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one"	"alosetron"	"GR68755|Lotronex&reg;"	"O=C1N(CCc2c1c1ccccc1n2C)Cc1nc[nH]c1C"	"JSWZEAMFRNKZNL-UHFFFAOYSA-N"	"InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)"	""	""	""
"10714"	"aloxistatin"	""	"Synthetic organic"	""	""	""	""	"404859161"	"65663"	""	""	"CHEMBL63440"	""	""	""	""	"ethyl (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate"	"aloxistatin"	"compound 2b [PMID: 8765519]|E-64d|E64d|EP453|loxistatin"	"CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C"	"SRVFFFJZQVENJC-IHRRRGAJSA-N"	"InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1"	""	""	""
"7955"	"alpelisib"	""	"Synthetic organic"	"yes"	""	""	""	"249565638"	"56649450"	""	""	"CHEMBL2396661"	""	""	""	""	"(2S)-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide"	"alpelisib"	"BYL 719|BYL-719|NVP-BYL719|Piqray&reg;|Vijoice&reg;"	"NC(=O)[C@@H]1CCCN1C(=O)Nc1nc(c(s1)c1ccnc(c1)C(C(F)(F)F)(C)C)C"	"STUWGJZDJHPWGZ-LBPRGKRZSA-N"	"InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1"	""	""	""
"7487"	"alpha1-proteinase inhibitor"	""	"Peptide"	"yes"	""	""	""	"187051790"	"0"	""	""	""	""	""	""	""	""	""	"A1AT|A1PI|alpha 1-antitrypsin|Aralast&reg;|Prolastin&reg;|serum trypsin inhibitor"	""	""	""	""	""	""
"4094"	"&alpha;3IA"	""	"Synthetic organic"	""	""	""	""	"178100917"	"11824289"	""	""	"CHEMBL413325"	""	""	""	""	"methyl 5-(4-methoxyphenyl)-1-methyl-2-oxo-6-(pyridin-4-yl)-1,2-dihydropyridine-3-carboxylate"	""	""	"COc1ccc(cc1)c1cc(C(=O)OC)c(=O)n(c1c1ccncc1)C"	"LENMNEQXCQXJHV-UHFFFAOYSA-N"	"InChI=1S/C20H18N2O4/c1-22-18(14-8-10-21-11-9-14)16(12-17(19(22)23)20(24)26-3)13-4-6-15(25-2)7-5-13/h4-12H,1-3H3"	""	""	""
"4095"	"&alpha;5IA"	""	"Synthetic organic"	""	""	""	""	"178100918"	"6918451"	""	""	"CHEMBL306422"	""	""	""	""	"1-methyl-4-({[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxy}methyl)-1H-1,2,3-triazole"	""	""	"Cn1nnc(c1)COc1nn2c(nnc2c2c1cccc2)c1noc(c1)C"	"NZMJFRXKGUCYNP-UHFFFAOYSA-N"	"InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3"	""	""	""
"13278"	"&alpha;-asarone"	""	"Natural product"	""	""	""	""	"491300060"	"636822"	""	""	"CHEMBL333306"	""	""	""	""	"1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene"	""	"(&alpha;)-asarone|trans-asarone"	"C/C=C/C1=CC(=C(C=C1OC)OC)OC"	"RKFAZBXYICVSKP-AATRIKPKSA-N"	"InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+"	""	""	""
"14169"	"&alpha;,&beta;-difluoromethylene-UDP"	""	"Synthetic organic"	""	""	""	""	"518520796"	"44585948"	""	""	"CHEMBL488133"	""	""	""	""	"[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid"	"abacavir"	"compound 12 [PMID: 19902968]|Up-CF<sub>2</sub>-p"	"[H]C1=CN([C@@H]2O[C@H](COP(O)(=O)C(F)(F)P(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)NC1=O"	"JKJYHYKRGKKASI-XVFCMESISA-N"	"InChI=1S/C10H14F2N2O11P2/c11-10(12,26(19,20)21)27(22,23)24-3-4-6(16)7(17)8(25-4)14-2-1-5(15)13-9(14)18/h1-2,4,6-8,16-17H,3H2,(H,22,23)(H,13,15,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1"	""	""	""
"4093"	"&alpha;&beta;-meATP"	""	"Synthetic organic"	""	""	""	""	"178100916"	"91557"	""	""	"CHEMBL132722"	""	""	""	""	"({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl](hydroxy)phosphoryl}oxy)phosphonic acid"	""	"&alpha;&beta;-methylene-adenosine 5'-triphosphate"	"O[C@@H]1[C@@H](COP(=O)(CP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N"	"CAWZRIXWFRFUQB-IOSLPCCCSA-N"	"InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1"	""	""	""
"6203"	"&alpha;.&beta;-methylene-2-thio-UDP"	""	"Synthetic organic"	""	""	""	""	"178102824"	"73755188"	""	""	""	""	""	""	""	"[({[(2S,3S,4R,5R)-3,4-dimethyl-5-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl]phosphonic acid"	""	"&alpha;,&beta;-methylene-UDP"	"C[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1C)n1ccc(=O)[nH]c1=S"	"HGGLEWIKYOGGHB-YSSBGUOXSA-N"	"InChI=1S/C12H20N2O8P2S/c1-7-8(2)11(14-4-3-10(15)13-12(14)25)22-9(7)5-21-24(19,20)6-23(16,17)18/h3-4,7-9,11H,5-6H2,1-2H3,(H,19,20)(H,13,15,25)(H2,16,17,18)/t7-,8+,9+,11+/m0/s1"	""	""	""
"5092"	"&alpha;&beta;-methyleneADP"	""	"Synthetic organic"	""	""	""	""	"178101785"	"92199"	""	""	"CHEMBL583969"	""	""	""	""	"[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl]phosphonic acid"	""	"&alpha;,&beta;-methyleneadenosine 5'-diphosphate (&alpha;&beta;meADP)|[&alpha;&beta;CH<sub>2</sub>]ADP|AMP-CP|AMPCP"	"O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N"	"OLCWZBFDIYXLAA-IOSLPCCCSA-N"	"InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1"	""	""	""
"3964"	"&alpha;-bungarotoxin"	""	"Peptide"	""	""	""	""	"178100790"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"681"	"&alpha;-CGRP"	"Human"	"Peptide"	""	""	""	""	"135651608"	"0"	"P06881"	"ENSG00000110680"	""	""	""	""	""	""	""	"&alpha;-calcitonin gene-related peptide (&alpha;CGRP, human)|calcitonin gene-related peptide 1 (CGRP)"	""	""	""	""	""	""
"695"	"&alpha;-CGRP"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651609"	"0"	"Q99JA0|P01256"	"ENSMUSG00000030669|ENSRNOG00000011130"	""	""	""	""	""	""	""	"&alpha;CGRP|rat &alpha;-calcitonin gene-related peptide"	""	""	""	""	""	""
"700"	"&alpha;-CGRP-(8-37) (human)"	""	"Peptide"	""	""	""	""	"135651981"	"134813879"	""	""	""	""	""	""	""	""	""	"&alpha;-CGRP (8-37) (human)|human &alpha;-calcitonin gene-related peptide (8-37)"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C)CCCCN)CO)C(C)C)CC(=O)N)[C@H](O)C)C(C)C)Cc1ccccc1)CC(=O)N)CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)N)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)C)CC(C)C)CC(C)C)CO)CCCN=C(N)N)CO"	"LBOFHYKFMRHUFW-YVQXRMNASA-N"	"InChI=1S/C139H229N43O39/c1-66(2)48-85(160-102(192)60-154-112(195)74(17)158-119(202)86(49-67(3)4)166-117(200)83(40-31-45-151-138(146)147)162-122(205)89(53-80-57-150-65-157-80)171-135(218)111(77(20)187)181-130(213)105(145)69(7)8)120(203)167-87(50-68(5)6)121(204)175-96(64-185)128(211)164-84(41-32-46-152-139(148)149)118(201)174-94(62-183)114(197)155-58-101(191)153-59-104(194)176-107(71(11)12)133(216)178-108(72(13)14)132(215)165-82(39-28-30-44-141)116(199)169-90(54-98(142)188)124(207)170-91(55-99(143)189)123(206)168-88(51-78-34-23-21-24-35-78)125(208)179-109(73(15)16)136(219)182-47-33-42-97(182)129(212)180-110(76(19)186)134(217)172-92(56-100(144)190)126(209)177-106(70(9)10)131(214)156-61-103(193)161-95(63-184)127(210)163-81(38-27-29-43-140)115(198)159-75(18)113(196)173-93(137(220)221)52-79-36-25-22-26-37-79/h21-26,34-37,57,65-77,81-97,105-111,183-187H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,188)(H2,143,189)(H2,144,190)(H,150,157)(H,153,191)(H,154,195)(H,155,197)(H,156,214)(H,158,202)(H,159,198)(H,160,192)(H,161,193)(H,162,205)(H,163,210)(H,164,211)(H,165,215)(H,166,200)(H,167,203)(H,168,206)(H,169,199)(H,170,207)(H,171,218)(H,172,217)(H,173,196)(H,174,201)(H,175,204)(H,176,194)(H,177,209)(H,178,216)(H,179,208)(H,180,212)(H,181,213)(H,220,221)(H4,146,147,151)(H4,148,149,152)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/m0/s1"	""	""	""
"701"	"&alpha;-CGRP-(8-37) (rat)"	""	"Peptide"	""	""	""	""	"135651982"	"134813880"	""	""	""	""	""	""	""	""	""	"&alpha;-CGRP (8-37) (rat)|rat &alpha;-calcitonin gene-related peptide (8-37)"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C)CCC(=O)O)CO)C(C)C)CC(=O)N)[C@H](O)C)C(C)C)Cc1ccccc1)CC(=O)N)CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)N)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)C)CC(C)C)CC(C)C)CO)CCCN=C(N)N)CO"	"FENOOIMBDDRVMP-QZMRZBIOSA-N"	"InChI=1S/C138H223N41O42/c1-64(2)46-83(157-99(188)58-151-111(195)72(17)155-118(202)84(47-65(3)4)163-116(200)80(37-29-43-148-137(143)144)159-121(205)87(51-78-55-147-63-154-78)168-134(218)110(75(20)184)178-129(213)104(142)67(7)8)119(203)164-85(48-66(5)6)120(204)172-94(62-182)127(211)160-81(38-30-44-149-138(145)146)117(201)171-92(60-180)113(197)152-56-98(187)150-57-101(190)173-106(69(11)12)132(216)175-107(70(13)14)131(215)162-79(36-27-28-42-139)115(199)167-90(54-103(193)194)123(207)166-88(52-96(140)185)122(206)165-86(49-76-32-23-21-24-33-76)124(208)176-108(71(15)16)135(219)179-45-31-39-95(179)128(212)177-109(74(19)183)133(217)169-89(53-97(141)186)125(209)174-105(68(9)10)130(214)153-59-100(189)158-93(61-181)126(210)161-82(40-41-102(191)192)114(198)156-73(18)112(196)170-91(136(220)221)50-77-34-25-22-26-35-77/h21-26,32-35,55,63-75,79-95,104-110,180-184H,27-31,36-54,56-62,139,142H2,1-20H3,(H2,140,185)(H2,141,186)(H,147,154)(H,150,187)(H,151,195)(H,152,197)(H,153,214)(H,155,202)(H,156,198)(H,157,188)(H,158,189)(H,159,205)(H,160,211)(H,161,210)(H,162,215)(H,163,200)(H,164,203)(H,165,206)(H,166,207)(H,167,199)(H,168,218)(H,169,217)(H,170,196)(H,171,201)(H,172,204)(H,173,190)(H,174,209)(H,175,216)(H,176,208)(H,177,212)(H,178,213)(H,191,192)(H,193,194)(H,220,221)(H4,143,144,148)(H4,145,146,149)/t72-,73-,74+,75+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,104-,105-,106-,107-,108-,109-,110-/m0/s1"	""	""	""
"4007"	"&alpha;-conotoxin ArIB"	""	"Peptide"	""	""	""	""	"178100833"	"155817466"	"P0C8R2"	""	""	""	""	""	""	""	""	""	"CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)C(C)C"	"YRXAPIQPBSKAMJ-WDCFXWORSA-N"	"InChI=1S/C71H113N25O26S4/c1-29(2)52(66(117)85-37(19-47(73)98)58(109)86-38(20-48(74)99)68(119)96-16-8-11-46(96)65(116)84-36(17-32-22-78-28-80-32)59(110)94-53(30(3)4)67(118)92-44(27-126)70(121)122)93-57(108)34(9-6-14-79-71(76)77)83-61(112)41(24-123)89-54(105)31(5)81-64(115)45-10-7-15-95(45)69(120)39(21-49(75)100)87-60(111)40(23-97)88-62(113)42(25-124)91-63(114)43(26-125)90-56(107)35(12-13-50(101)102)82-55(106)33(72)18-51(103)104/h22,28-31,33-46,52-53,97,123-126H,6-21,23-27,72H2,1-5H3,(H2,73,98)(H2,74,99)(H2,75,100)(H,78,80)(H,81,115)(H,82,106)(H,83,112)(H,84,116)(H,85,117)(H,86,109)(H,87,111)(H,88,113)(H,89,105)(H,90,107)(H,91,114)(H,92,118)(H,93,108)(H,94,110)(H,101,102)(H,103,104)(H,121,122)(H4,76,77,79)/t31-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,52-,53-/m0/s1"	""	""	""
"3973"	"&alpha;-conotoxin AuIB"	""	"Peptide"	""	""	""	""	"178100799"	"73755065"	"P56640"	""	""	""	""	""	""	"2-[(1R,6R,9S,12S,18S,21S,24S,27S,30R,33S,39S,45S,48S,53R)-53-(2-aminoacetamido)-27-benzyl-6-carbamoyl-18-(carbamoylmethyl)-21-[(1R)-1-hydroxyethyl]-48-(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-24-methyl-8,11,17,20,23,26,29,32,38,44,47,50,52-tridecaoxo-3,4,55,56-tetrathia-7,10,16,19,22,25,28,31,37,43,46,49,51-tridecaazapentacyclo[28.20.7.0^{12,16}.0^{33,37}.0^{39,43}]heptapentacontan-9-yl]acetic acid"	""	""	"NCC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)Cc1ccccc1)C)[C@H](O)C)CC(=O)N)C(=O)N)CO)Cc1ccc(cc1)O)CCC3"	"SVNSCQIKKAACJG-SBLJLSJOSA-N"	"InChI=1S/C65H89N17O21S4/c1-31-53(91)79-51(32(2)84)62(100)74-39(23-48(67)86)64(102)80-18-6-11-45(80)60(98)72-37(24-50(88)89)55(93)76-41(52(68)90)27-104-106-29-43-59(97)75-40(26-83)56(94)73-38(22-34-14-16-35(85)17-15-34)63(101)82-20-8-13-47(82)65(103)81-19-7-12-46(81)61(99)78-44(30-107-105-28-42(57(95)77-43)70-49(87)25-66)58(96)71-36(54(92)69-31)21-33-9-4-3-5-10-33/h3-5,9-10,14-17,31-32,36-47,51,83-85H,6-8,11-13,18-30,66H2,1-2H3,(H2,67,86)(H2,68,90)(H,69,92)(H,70,87)(H,71,96)(H,72,98)(H,73,94)(H,74,100)(H,75,97)(H,76,93)(H,77,95)(H,78,99)(H,79,91)(H,88,89)/t31-,32+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/s1"	""	""	""
"3983"	"&alpha;-conotoxin GI"	""	"Peptide"	""	""	""	""	"178100809"	"25084484"	"P01519"	""	""	""	""	""	""	"(4S)-4-amino-4-{[(1R,7S,10S,13S,16S,19R,24R,27S,33S,36S,43R)-7-(3-carbamimidamidopropyl)-19-carbamoyl-27-(carbamoylmethyl)-16-(hydroxymethyl)-13-[(3-hydroxyphenyl)methyl]-10-(1H-imidazol-5-ylmethyl)-36-methyl-2,5,8,11,14,17,25,28,34,37,44-undecaoxo-21,22,40,41-tetrathia-3,6,9,12,15,18,26,29,35,38,45-undecaazatricyclo[22.14.7.0^{29,33}]pentatetracontan-43-yl]carbamoyl}butanoic acid"	""	"G1"	"OC[C@@H]1NC(=O)[C@H](Cc2cccc(c2)O)NC(=O)[C@H](Cc2[nH]cnc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N2)C)NC(=O)[C@H](CCC(=O)O)N"	"CSUQNJQRLCOOSR-NAKBKFBQSA-N"	"InChI=1S/C55H80N20O18S4/c1-25-44(83)72-36-21-95-97-22-37(73-45(84)29(56)9-10-42(80)81)52(91)74-38(51(90)69-33(16-40(57)78)54(93)75-12-4-8-39(75)53(92)65-25)23-96-94-20-35(43(58)82)71-50(89)34(19-76)70-48(87)31(14-26-5-2-6-28(77)13-26)67-49(88)32(15-27-17-61-24-64-27)68-47(86)30(7-3-11-62-55(59)60)66-41(79)18-63-46(36)85/h2,5-6,13,17,24-25,29-39,76-77H,3-4,7-12,14-16,18-23,56H2,1H3,(H2,57,78)(H2,58,82)(H,61,64)(H,63,85)(H,65,92)(H,66,79)(H,67,88)(H,68,86)(H,69,90)(H,70,87)(H,71,89)(H,72,83)(H,73,84)(H,74,91)(H,80,81)(H4,59,60,62)/t25-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1"	""	""	""
"4009"	"&alpha;-conotoxin-GIC"	""	"Peptide"	""	""	""	""	"178100835"	"0"	"Q86RB2"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3965"	"&alpha;-conotoxin ImI"	""	"Peptide"	""	""	""	""	"178100791"	"0"	"P50983"	""	""	""	""	""	""	""	""	"&alpha;-CTx ImI"	""	""	""	""	""	""
"3999"	"&alpha;-conotoxin MI"	""	"Peptide"	""	""	""	""	"178100825"	"0"	"P01521"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3970"	"&alpha;-conotoxin MII"	""	"Peptide"	""	""	""	""	"178100796"	"0"	"P56636"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4010"	"&alpha;-conotoxin MII [H9A, L15A]"	""	"Peptide"	""	""	""	""	"178100836"	"0"	"P56636"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3985"	"&alpha;-conotoxin PIA"	""	"Peptide"	""	""	""	""	"178100811"	"0"	"P69658"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3982"	"&alpha;-conotoxin PnIA"	""	"Peptide"	""	""	""	""	"178100808"	"73755066"	"P50984"	""	""	""	""	""	""	"2-[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,51S,56R)-56-(2-aminoacetamido)-6-carbamoyl-21,24-bis(carbamoylmethyl)-51-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-27,30-dimethyl-48-(2-methylpropyl)-8,11,14,20,23,26,29,32,35,41,47,50,53,55-tetradecaoxo-3,4,58,59-tetrathia-7,10,13,19,22,25,28,31,34,40,46,49,52,54-tetradecaazapentacyclo[31.20.7.0^{15,19}.0^{36,40}.0^{42,46}]hexacontan-12-yl]acetic acid"	""	""	"NCC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CSSC[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)C)C)CC(=O)N)CC(=O)N)C(=O)N)CO)CC(C)C)CCC3"	"VUVGEYBNLLGGBG-MVPSLEAZSA-N"	"InChI=1S/C65H95N19O22S4/c1-29(2)18-37-63(104)84-17-7-10-46(84)65(106)83-16-6-9-45(83)62(103)81-42-27-110-108-26-41(72-49(89)23-66)59(100)80-43(60(101)78-39(24-85)57(98)76-37)28-109-107-25-40(51(69)92)79-54(95)34(19-32-11-13-33(86)14-12-32)74-56(97)36(22-50(90)91)75-61(102)44-8-5-15-82(44)64(105)38(21-48(68)88)77-55(96)35(20-47(67)87)73-53(94)31(4)70-52(93)30(3)71-58(42)99/h11-14,29-31,34-46,85-86H,5-10,15-28,66H2,1-4H3,(H2,67,87)(H2,68,88)(H2,69,92)(H,70,93)(H,71,99)(H,72,89)(H,73,94)(H,74,97)(H,75,102)(H,76,98)(H,77,96)(H,78,101)(H,79,95)(H,80,100)(H,81,103)(H,90,91)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1"	""	""	""
"4008"	"&alpha;-conotoxin RgIA"	""	"Peptide"	""	""	""	""	"178100834"	"0"	"P0C1D0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4011"	"&alpha;-conotoxin TxIA"	""	"Peptide"	""	""	""	""	"178100837"	"46226500"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)O"	"FIRBQKFGNFGBRC-NLBWWLDMSA-N"	"InChI=1S/C65H107N21O22S4/c1-6-30(4)49(60(103)72-31(5)50(93)75-34(20-45(67)88)52(95)78-36(21-46(68)89)62(105)84-16-8-12-42(84)58(101)77-35(22-48(91)92)53(96)76-33(19-29(2)3)51(94)82-41(28-112)64(107)108)83-57(100)40(27-111)81-59(102)43-13-9-17-85(43)63(106)44-14-10-18-86(44)61(104)32(11-7-15-71-65(69)70)74-54(97)37(24-87)79-56(99)39(26-110)80-55(98)38(25-109)73-47(90)23-66/h29-44,49,87,109-112H,6-28,66H2,1-5H3,(H2,67,88)(H2,68,89)(H,72,103)(H,73,90)(H,74,97)(H,75,93)(H,76,96)(H,77,101)(H,78,95)(H,79,99)(H,80,98)(H,81,102)(H,82,94)(H,83,100)(H,91,92)(H,107,108)(H4,69,70,71)/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,49-/m0/s1"	""	""	""
"11300"	"&alpha;-cyano-4-hydroxycinnamate"	""	"Synthetic organic"	""	""	""	""	"434321735"	"2102"	""	""	""	""	""	""	""	"2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid"	""	"2-cyano-4-hydroxycinnamate|alpha-cyano-4-hydroxycinnamate|alpha-cyano-4-hydroxycinnamic acid"	"N#CC(=Cc1ccc(cc1)O)C(=O)O"	"AFVLVVWMAFSXCK-UHFFFAOYSA-N"	"InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)"	""	""	""
"11301"	"&alpha;-Cyano-5-phenyl-2,4-pentadienic acid"	""	"Synthetic organic"	""	""	""	""	"434321736"	"5972666"	""	""	""	""	""	""	""	"(2E,4E)-2-cyano-5-phenylpenta-2,4-dienoic acid"	""	"Alpha-Cyano-5-phenyl-2,4-pentadienic acid|α&alpha;cyano-5-phenyl-2,4-pentadienoate"	"N#C/C(=C\C=C\c1ccccc1)/C(=O)O"	"UBDXZYYYWGIRGN-VCABWLAWSA-N"	"InChI=1S/C12H9NO2/c13-9-11(12(14)15)8-4-7-10-5-2-1-3-6-10/h1-8H,(H,14,15)/b7-4+,11-8+"	""	""	""
"11299"	"&alpha;-cyanocinnamate"	""	"Synthetic organic"	""	""	""	""	"434321734"	"643159"	""	""	"CHEMBL77595"	""	""	""	""	"(E)-2-cyano-3-phenylprop-2-enoic acid"	""	"(2E)-2-cyano-3-phenylacrylic acid|alpha-cyanocinnamate|alpha-Cyanocinnamic acid"	"N#C/C(=C\c1ccccc1)/C(=O)O"	"CDUQMGQIHYISOP-RMKNXTFCSA-N"	"InChI=1S/C10H7NO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H,12,13)/b9-6+"	""	""	""
"2563"	"&alpha;-dendrotoxin"	""	"Peptide"	""	""	""	""	"135651983"	"0"	"P00980"	""	""	""	""	""	""	""	""	"&alpha;-DTX"	""	""	""	""	""	""
"11820"	"alpha-D-pentagalloylglucose"	""	"Synthetic organic"	""	""	""	""	"458923855"	"162366981"	""	""	""	""	""	""	""	"[(2S,3S,4S,5R,6S)-3,4,5,6-tetrakis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate"	""	"&alpha;-PGG|&alpha;PGG|1,2,3,4,6-penta-O-galloyl-a-D-glucopyranose|aPGG"	"Oc1cc(cc(O)c1O)C(=O)OC[C@@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1"	"QJYNZEYHSMRWBK-LOMPCTGFSA-N"	"InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34-,35+,41-/m0/s1"	""	""	""
"2363"	"&alpha;-Emtbl"	""	"Synthetic organic"	""	""	""	""	"135649922"	"128423"	""	""	"CHEMBL34197"	""	""	""	""	"3-ethyl-3-methylthiolan-2-one"	""	"alpha-Emtbl"	"CC1(CC)CCSC1=O"	"PSYRIJIIQVMBLR-UHFFFAOYSA-N"	"InChI=1S/C7H12OS/c1-3-7(2)4-5-9-6(7)8/h3-5H2,1-2H3"	""	""	""
"271"	"&alpha;-ergocryptine"	""	"Natural product"	""	""	""	""	"135652665"	"134551"	""	""	"CHEMBL1403281"	""	""	""	""	""	""	""	"CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C"	"YDOTUXAWKBPQJW-NSLWYYNWSA-N"	"InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1"	""	""	""
"2915"	"&alpha;-fluoromethylenephosphonate"	""	"Synthetic organic"	""	""	""	""	"135649923"	"44400349"	""	""	"CHEMBL190717"	""	""	""	""	"[(3S)-1-fluoro-3-methoxy-4-[(9E)-octadec-9-enoyloxy]butyl]phosphonic acid"	""	""	"CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CC(P(=O)(O)O)F)OC"	"KGVHPTQYUKZZPY-VXECIVMWSA-N"	"InChI=1S/C23H44FO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(25)30-20-21(29-2)19-22(24)31(26,27)28/h10-11,21-22H,3-9,12-20H2,1-2H3,(H2,26,27,28)/b11-10+/t21-,22?/m0/s1"	""	""	""
"923"	"&alpha;-helical CRF"	""	"Peptide"	""	""	""	""	"135651984"	"155817385"	""	""	""	""	""	""	""	""	""	"&alpha;-helical corticotropin|&alpha;-helical CRF (9-41)|alpha-helical CRF (9-41)"	"CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O"	"TYEPJUPPTULOKD-GVKLFNHCSA-N"	"InChI=1S/C166H273N45O54S2/c1-77(2)63-109(155(255)209-119(74-122(171)215)161(261)190-97(37-32-60-178-166(174)175)144(244)202-113(67-81(9)10)156(256)206-114(68-82(11)12)157(257)205-112(66-80(7)8)154(254)196-105(45-54-128(226)227)148(248)194-101(41-50-124(218)219)141(241)185-90(22)164(264)265)200-136(236)86(18)180-132(232)85(17)181-139(239)98(38-47-120(169)213)191-146(246)102(42-51-125(220)221)187-135(235)89(21)183-140(240)100(40-49-123(216)217)193-145(245)99(39-48-121(170)214)192-147(247)103(43-52-126(222)223)188-134(234)88(20)182-138(238)95(35-29-30-58-167)186-133(233)87(19)184-142(242)107(56-61-266-24)198-150(250)106(46-55-129(228)229)197-153(253)110(64-78(3)4)203-151(251)108(57-62-267-25)199-149(249)104(44-53-127(224)225)195-143(243)96(36-31-59-177-165(172)173)189-152(252)111(65-79(5)6)204-158(258)115(69-83(13)14)207-160(260)118(72-93-75-176-76-179-93)208-159(259)117(71-92-33-27-26-28-34-92)210-163(263)131(91(23)212)211-162(262)116(70-84(15)16)201-137(237)94(168)73-130(230)231/h26-28,33-34,75-91,94-119,131,212H,29-32,35-74,167-168H2,1-25H3,(H2,169,213)(H2,170,214)(H2,171,215)(H,176,179)(H,180,232)(H,181,239)(H,182,238)(H,183,240)(H,184,242)(H,185,241)(H,186,233)(H,187,235)(H,188,234)(H,189,252)(H,190,261)(H,191,246)(H,192,247)(H,193,245)(H,194,248)(H,195,243)(H,196,254)(H,197,253)(H,198,250)(H,199,249)(H,200,236)(H,201,237)(H,202,244)(H,203,251)(H,204,258)(H,205,257)(H,206,256)(H,207,260)(H,208,259)(H,209,255)(H,210,263)(H,211,262)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,264,265)(H4,172,173,177)(H4,174,175,178)/t85-,86-,87-,88-,89-,90-,91+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,131-/m0/s1"	""	""	""
"13236"	"&alpha;-humulene"	""	"Natural product"	""	""	""	""	"491300018"	"5281520"	""	""	"CHEMBL251280"	""	""	""	""	"(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene"	""	"alpha-caryophyllene|alpha-Humulene|humulene"	"C/C/1=C\CC(/C=C/C/C(=C/CC1)/C)(C)C"	"FAMPSKZZVDUYOS-HRGUGZIWSA-N"	"InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+"	""	""	""
"3636"	"&alpha;-ketoglutaric acid"	""	"Metabolite"	""	""	""	""	"178100543"	"51"	""	""	"CHEMBL1686"	""	""	""	""	"2-Oxopentanedioic acid"	""	"&alpha;-ketoglutarate|2-ketoglutarate|2-ketoglutaric acid|2-oxoglutarate|oxoglutarate"	"OC(=O)CCC(=O)C(=O)O"	"KPGXRSRHYNQIFN-UHFFFAOYSA-N"	"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)"	""	""	""
"4656"	"&alpha;-ketoisocaproate"	""	"Synthetic organic"	""	""	""	""	"178101372"	"70"	""	""	"CHEMBL445647"	""	""	""	""	"4-methyl-2-oxopentanoic acid"	""	"&alpha;-ketoisocaproic acid|2-oxoisohexanoate|alpha-oxoisohexanoate"	"CC(CC(=O)C(=O)O)C"	"BKAJNAXTPSGJCU-UHFFFAOYSA-N"	"InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)"	""	""	""
"6549"	"alpha-ketothiazole analogue 36"	""	"Synthetic organic"	""	""	""	""	"178103163"	"16098914"	""	""	"CHEMBL273653"	""	""	""	""	"(2S)-2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoylamino]-5-(carbamoylamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide"	""	""	"O=C(N[C@@H](c1ccc(cc1)Br)C)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nccs1)CCCN=C(N)N)C(C)C)CCCNC(=O)N"	"BGBJLVHKOHYLME-MNAPGUCWSA-N"	"InChI=1S/C29H43BrN10O5S/c1-16(2)22(25(43)38-20(6-4-12-35-27(31)32)23(41)26-34-14-15-46-26)40-24(42)21(7-5-13-36-28(33)44)39-29(45)37-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22H,4-7,12-13H2,1-3H3,(H,38,43)(H,40,42)(H4,31,32,35)(H3,33,36,44)(H2,37,39,45)/t17-,20+,21+,22+/m1/s1"	""	""	""
"2550"	"&alpha;-KTx 13.2"	""	"Peptide"	""	""	""	""	"135651985"	"0"	""	""	""	""	""	""	""	""	""	"OsK2"	""	""	""	""	""	""
"5897"	"&alpha;-latrotoxin"	""	"Peptide"	""	""	""	""	"178102520"	"0"	"P23631"	""	""	""	""	""	""	""	""	"alpha-latrotoxin|alpha-latrotoxin-Lt1a|alpha-LTX|alpha-LTX-Lt1a"	""	""	""	""	""	""
"1049"	"&alpha;-linolenic acid"	""	"Metabolite"	""	""	""	""	"135651436"	"5280934"	""	""	"CHEMBL8739"	""	""	""	""	"(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid"	""	"&alpha;-LA|C18:3|linolenate"	"CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O"	"DTOSIQBPPRVQHS-PDBXOOCHSA-N"	"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-"	""	""	""
"13469"	"&alpha;-mangostin"	""	"Natural product"	""	""	""	""	"500839879"	"5281650"	""	""	"CHEMBL323197"	""	""	""	""	"1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one"	""	"alpha-mangostin"	"CC(=CCC1=C(C2=C(C=C1O)OC3=CC(=C(C(=C3C2=O)CC=C(C)C)OC)O)O)C"	"GNRIZKKCNOBBMO-UHFFFAOYSA-N"	"InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3"	""	""	""
"13470"	"&alpha;-mangostin derivative 4e"	""	"Synthetic organic"	""	""	""	""	"500839880"	"145997874"	""	""	"CHEMBL4471352"	""	""	""	""	"7-[5-hydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxopyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid"	""	"compound 4e [PMID: 32115956]"	"O=C1C2=C(C=C3OC(C)(C)C=CC3=C2O)OC4=CC(OCCCCCCC(O)=O)=C(OC)C(C/C=C(\C)/C)=C41"	"QHLZYKWHQKCZMD-UHFFFAOYSA-N"	"InChI=1S/C31H36O8/c1-18(2)11-12-20-26-22(17-24(30(20)36-5)37-15-9-7-6-8-10-25(32)33)38-23-16-21-19(13-14-31(3,4)39-21)28(34)27(23)29(26)35/h11,13-14,16-17,34H,6-10,12,15H2,1-5H3,(H,32,33)"	""	""	""
"4640"	"&alpha;-MDG"	""	"Synthetic organic"	""	""	""	""	"178101358"	"64947"	""	""	"CHEMBL131853"	""	""	""	""	"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol"	""	"&alpha;-methyl-D-glucose pyranoside|methyl &alpha;-D-glucopyranoside"	"CO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O"	"HOVAGTYPODGVJG-ZFYZTMLRSA-N"	"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1"	""	""	""
"152"	"&alpha;-methyl-5-HT"	""	"Synthetic organic"	""	""	""	""	"135649924"	"2107"	""	""	"CHEMBL275854"	""	""	""	""	"3-(2-aminopropyl)-1H-indol-5-ol"	""	"&#945;-methylserotonin|&alpha;-Me-5-HT"	"CC(Cc1c[nH]c2c1cc(O)cc2)N"	"LYPCGXKCQDYTFV-UHFFFAOYSA-N"	"InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3"	""	""	""
"4693"	"&alpha;-methyl-D,L-tryptophan"	""	"Synthetic organic"	""	""	""	""	"178101406"	"95438"	""	""	"CHEMBL559578"	""	""	""	""	"2-amino-3-(1H-indol-3-yl)-2-methylpropanoic acid"	""	""	"OC(=O)C(Cc1c[nH]c2c1cccc2)(N)C"	"ZTTWHZHBPDYSQB-UHFFFAOYSA-N"	"InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)"	""	""	""
"5093"	"&alpha;-methylphenylalanine"	""	"Metabolite"	""	""	""	""	"178101786"	"108055"	""	""	"CHEMBL1222268"	""	""	""	""	"2-amino-2-methyl-3-phenylpropanoic acid"	""	""	"OC(=O)C(Cc1ccccc1)(N)C"	"HYOWVAAEQCNGLE-UHFFFAOYSA-N"	"InChI=1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)"	""	""	""
"1398"	"&alpha;-methylserine-O-phosphate"	""	"Synthetic organic"	""	""	""	""	"135650668"	"3964633"	""	""	"CHEMBL1437137"	""	""	""	""	"2-amino-2-methyl-3-phosphonooxypropanoic acid"	""	"&alpha;-MSOP|MSOP"	"OC(=O)C(COP(=O)(O)O)(N)C"	"GSFCOAGADOGIGE-UHFFFAOYSA-N"	"InChI=1S/C4H10NO6P/c1-4(5,3(6)7)2-11-12(8,9)10/h2,5H2,1H3,(H,6,7)(H2,8,9,10)"	""	""	""
"6956"	"alpha-methyltyrosine"	""	"Synthetic organic"	"yes"	""	""	""	"178103538"	"441350"	""	""	"CHEMBL1200862"	""	""	""	""	"(2S)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid"	"racemetirosine"	"Demser&reg;|metyrosine|MK-781"	"Oc1ccc(cc1)C[C@@](C(=O)O)(N)C"	"NHTGHBARYWONDQ-JTQLQIEISA-N"	"InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1"	""	""	""
"1320"	"&alpha;-MSH"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651610"	"16162729"	"P01194|P01193|P01189"	"ENSG00000115138|ENSMUSG00000020660"	""	""	""	""	""	""	""	"&alpha;-melanocyte stimulating hormone"	""	""	""	""	""	""
"3737"	"&alpha;-neodynorphin"	"Human"	"Peptide"	""	""	""	""	"178100602"	"5311003"	"P01213"	"ENSG00000101327"	""	""	""	""	""	""	""	"&alpha;-neo-dynorphin"	"CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O"	"KZTDMJBCZSGHOG-XJIZABAQSA-N"	"InChI=1S/C60H89N15O13/c1-36(2)30-46(73-56(84)47(32-37-12-4-3-5-13-37)69-51(79)35-67-50(78)34-68-52(80)42(63)31-38-18-22-40(76)23-19-38)55(83)71-44(16-10-28-66-60(64)65)53(81)70-43(14-6-8-26-61)54(82)74-48(33-39-20-24-41(77)25-21-39)58(86)75-29-11-17-49(75)57(85)72-45(59(87)88)15-7-9-27-62/h3-5,12-13,18-25,36,42-49,76-77H,6-11,14-17,26-35,61-63H2,1-2H3,(H,67,78)(H,68,80)(H,69,79)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,82)(H,87,88)(H4,64,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1"	""	""	""
"1600"	"&alpha;-neoendorphin"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651611"	"5311003"	"O35417|P01213|P06300"	"ENSG00000101327"	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O"	"KZTDMJBCZSGHOG-XJIZABAQSA-N"	"InChI=1S/C60H89N15O13/c1-36(2)30-46(73-56(84)47(32-37-12-4-3-5-13-37)69-51(79)35-67-50(78)34-68-52(80)42(63)31-38-18-22-40(76)23-19-38)55(83)71-44(16-10-28-66-60(64)65)53(81)70-43(14-6-8-26-61)54(82)74-48(33-39-20-24-41(77)25-21-39)58(86)75-29-11-17-49(75)57(85)72-45(59(87)88)15-7-9-27-62/h3-5,12-13,18-25,36,42-49,76-77H,6-11,14-17,26-35,61-63H2,1-2H3,(H,67,78)(H,68,80)(H,69,79)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,82)(H,87,88)(H4,64,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1"	""	""	""
"9781"	"&alpha;-NETA"	""	"Synthetic organic"	""	""	""	""	"354702254"	"1518"	""	""	"CHEMBL1358898"	""	""	""	""	"trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium"	""	""	"O=C(c1cccc2c1cccc2)CC[N+](C)(C)C"	"WZJKPXZLQTXALB-UHFFFAOYSA-N"	"InChI=1S/C16H20NO/c1-17(2,3)12-11-16(18)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,11-12H2,1-3H3/q+1"	"yes"	""	""
"4657"	"&alpha;-oxoadipic acid"	""	"Metabolite"	""	""	""	""	"178101373"	"71"	""	""	""	""	""	""	""	"2-oxohexanedioic acid"	""	"&alpha;-ketoadipic acid|2-ketoadipate|2-oxoadipate"	"OC(=O)CCCC(=O)C(=O)O"	"FGSBNBBHOZHUBO-UHFFFAOYSA-N"	"InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)"	""	""	""
"5095"	"&alpha;-propyldopacetamide"	""	"Synthetic organic"	""	""	""	""	"178101788"	"101635"	""	""	""	""	""	""	""	"2-(3,4-dihydroxyphenyl)pentanamide"	""	""	"CCCC(c1ccc(c(c1)O)O)C(=O)N"	"GDXQWRJYXZXWMT-UHFFFAOYSA-N"	"InChI=1S/C11H15NO3/c1-2-3-8(11(12)15)7-4-5-9(13)10(14)6-7/h4-6,8,13-14H,2-3H2,1H3,(H2,12,15)"	""	""	""
"2618"	"&alpha;-scorpion toxin 2"	""	"Peptide"	""	""	""	""	"135651986"	"0"	"P59355"	""	""	""	""	""	""	""	""	"&alpha;-mammal toxin Lqh2|Lqh II|LqhII|LqTx-2"	""	""	""	""	""	""
"5344"	"(-)-&alpha;-thujone"	""	"Natural product"	""	""	""	""	"178102006"	"261491"	""	""	"CHEMBL1444078"	""	""	""	""	"(1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one"	""	"&alpha;-thujone"	"O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C"	"USMNOWBWPHYOEA-MRTMQBJTSA-N"	"InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1"	""	""	""
"5461"	"alphaxalone"	""	"Synthetic organic"	""	""	""	""	"178102111"	"104845"	""	""	"CHEMBL190279"	""	""	""	""	"(3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one"	"alfaxalone"	"5&alpha;-alphaxalone|alfadione|alfaxalone|GR 2/234"	"O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2C(=O)C[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C"	"DUHUCHOQIDJXAT-OLVMNOGESA-N"	"InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1"	""	""	""
"12957"	"alpibectir"	""	"Synthetic organic"	""	""	""	""	"485206078"	"137500045"	""	""	"CHEMBL5095086"	""	""	""	""	"4,4,4-trifluoro-1-[3-(trifluoromethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]butan-1-one"	"alpibectir"	"BVL-GSK098"	"C1CN(CCC12CC(=NO2)C(F)(F)F)C(=O)CCC(F)(F)F"	"ZEAVKHMQTZBUND-UHFFFAOYSA-N"	"InChI=1S/C12H14F6N2O2/c13-11(14,15)2-1-9(21)20-5-3-10(4-6-20)7-8(19-22-10)12(16,17)18/h1-7H2"	""	""	"yes"
"7111"	"alprazolam"	""	"Synthetic organic"	"yes"	""	""	""	"178103688"	"2118"	""	""	"CHEMBL661"	""	""	""	""	"8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine"	"alprazolam"	"Niravam&reg;|U-31889|Xanax&reg;"	"Clc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1"	"VREFGVBLTWBCJP-UHFFFAOYSA-N"	"InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3"	""	""	""
"563"	"alprenolol"	""	"Synthetic organic"	"yes"	""	""	""	"135649926"	"2119"	""	""	"CHEMBL266195"	""	""	""	""	"1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol"	"alprenolol"	"Atenenol&reg;"	"C=CCc1ccccc1OCC(CNC(C)C)O"	"PAZJSJFMUHDSTF-UHFFFAOYSA-N"	"InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3"	""	""	""
"7373"	"Alprolix<sup>TM</sup>"	""	"Peptide"	"yes"	""	""	""	"178103945"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2740"	"ALRT 1550"	""	"Synthetic organic"	""	""	""	""	"135649927"	"5287705"	""	""	"CHEMBL89241"	""	""	""	""	"(2E,4E,6E)-7-(3,5-ditert-butylphenyl)-3-methylocta-2,4,6-trienoic acid"	""	""	"C/C(=C\C=C\C(=C\C(=O)O)\C)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C"	"JMPZTWDLOGTBPM-OUQSKUGOSA-N"	"InChI=1S/C23H32O2/c1-16(12-21(24)25)10-9-11-17(2)18-13-19(22(3,4)5)15-20(14-18)23(6,7)8/h9-15H,1-8H3,(H,24,25)/b10-9+,16-12+,17-11+"	""	""	""
"5925"	"alsterpaullone"	""	"Synthetic organic"	""	""	""	""	"178102548"	"5005498"	""	""	"CHEMBL50894"	""	""	""	""	"14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12,14,16-heptaen-9-one"	""	"9-nitropaullone|NSC-705701"	"O=C1Nc2ccccc2c2c(C1)c1cc(ccc1[nH]2)[N+](=O)[O-]"	"OLUKILHGKRVDCT-UHFFFAOYSA-N"	"InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)"	""	""	""
"5926"	"alsterpaullone 2-cyanoethyl"	""	"Synthetic organic"	""	""	""	""	"178102549"	"16760286"	""	""	"CHEMBL260138"	""	""	""	""	"3-{14-nitro-9-oxo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12,14,16-heptaen-4-yl}propanenitrile"	""	"alsterpaullone derivative7"	"N#CCCc1ccc2c(c1)c1[nH]c3c(c1CC(=O)N2)cc(cc3)[N+](=O)[O-]"	"UBLFSMURWWWWMH-UHFFFAOYSA-N"	"InChI=1S/C19H14N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,10H2,(H,21,24)"	""	""	""
"9615"	"ALT-803"	""	"Antibody"	""	""	""	""	"340590245"	"0"	""	""	""	""	""	""	""	""	""	"IL-15 N72D:IL-15R&alpha;Su/Fc|IL-15SA|N-803"	""	""	""	"yes"	""	""
"9174"	"altiratinib"	""	"Synthetic organic"	""	""	""	""	"315661257"	"54576299"	""	""	"CHEMBL3545365"	""	""	""	""	"1-N'-[4-[2-(cyclopropanecarbonylamino)pyridin-4-yl]oxy-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide"	"altiratinib"	"DCC-270|DCC-2701|DP-5164"	"O=C(C1CC1)Nc1nccc(c1)Oc1cc(F)c(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F"	"GNNDEPIMDAZHRQ-UHFFFAOYSA-N"	"InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)"	""	"yes"	""
"7112"	"altretamine"	""	"Synthetic organic"	"yes"	""	""	""	"178103689"	"2123"	""	""	"CHEMBL1455"	""	""	""	""	"2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine"	"altretamine"	"Hexalen&reg;"	"CN(c1nc(nc(n1)N(C)C)N(C)C)C"	"UUVWYPNAQBNQJQ-UHFFFAOYSA-N"	"InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3"	""	""	""
"10964"	"Altromycin B"	""	"Natural product"	""	""	""	""	"405560405"	"148125"	""	""	""	""	""	""	""	"methyl 2-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)-2-[10-[4-(dimethylamino)-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,6-dimethyloxan-2-yl]-2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-4,7,12-trioxonaphtho[2,3-h]chromen-5-yl]-2-hydroxyacetate"	""	""	"COC1CC(OC(C1O)C)OC1C(C)OC(CC1(C)N(C)C)c1ccc2c(c1O)C(=O)c1c(C2=O)cc(c2c1oc(cc2=O)C1(C)OC1C)C(C1OC(C)C(C(C1O)OC)O)(C(=O)OC)O"	"FAGGWQMBDCZCOI-UHFFFAOYSA-N"	"InChI=1S/C47H59NO18/c1-18-34(50)27(58-9)16-30(62-18)65-42-20(3)61-28(17-45(42,5)48(7)8)22-12-13-23-31(37(22)53)38(54)32-24(36(23)52)14-25(33-26(49)15-29(64-40(32)33)46(6)21(4)66-46)47(57,44(56)60-11)43-39(55)41(59-10)35(51)19(2)63-43/h12-15,18-21,27-28,30,34-35,39,41-43,50-51,53,55,57H,16-17H2,1-11H3"	""	""	"yes"
"11320"	"alunacedase alfa"	""	"Peptide"	""	""	""	""	"434321755"	"0"	""	""	""	""	""	""	""	""	"alunacedase alfa"	"APN01|GSK-2586881|GSK2586881|rhsACE2"	""	""	""	""	""	""
"6476"	"alvelestat"	""	"Synthetic organic"	""	""	""	""	"178103090"	"46861623"	""	""	""	""	""	""	""	"N-[(5-methanesulfonylpyridin-2-yl)methyl]-6-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide"	"alvelestat"	"AZD 9668|AZD-9668|AZD9668|KB-105160"	"O=C(c1cc(c(n(c1=O)c1cccc(c1)C(F)(F)F)C)c1ccnn1C)NCc1ccc(cn1)S(=O)(=O)C"	"QNQZWEGMKJBHEM-UHFFFAOYSA-N"	"InChI=1S/C25H22F3N5O4S/c1-15-20(22-9-10-31-32(22)2)12-21(23(34)30-13-17-7-8-19(14-29-17)38(3,36)37)24(35)33(15)18-6-4-5-16(11-18)25(26,27)28/h4-12,14H,13H2,1-3H3,(H,30,34)"	"yes"	""	""
"14185"	"alverine"	""	"Synthetic organic"	"yes"	""	""	""	"518520812"	"3678"	""	""	"CHEMBL253371"	""	""	""	""	"N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine"	"alverine"	"Meteospasmyl&reg;|phenopropamine|Profenil&reg;"	"CCN(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2"	"ZPFXAOWNKLFJDN-UHFFFAOYSA-N"	"InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3"	""	""	""
"9828"	"alvespimycin"	""	"Synthetic organic"	""	""	""	""	"354702299"	"5288674"	""	""	"CHEMBL383824"	""	""	""	""	"[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-[2-(dimethylamino)ethylamino]-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate"	""	"17-DMAG"	"CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(C2=O)NC(=O)/C(=C/C=C\[C@@H]([C@H](/C(=C/[C@@H]([C@H]1O)C)/C)OC(=O)N)OC)/C"	"KUFRQPKVAWMTJO-LMZWQJSESA-N"	"InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1"	""	""	""
"7471"	"alvimopan"	""	"Synthetic organic"	"yes"	""	""	""	"187051774"	"5488548"	""	""	"CHEMBL270190"	""	""	""	""	"2-[[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl]-3-phenylpropanoyl]amino]acetic acid"	"alvimopan"	"ADL 8-2698|Entereg&reg;"	"OC(=O)CNC(=O)[C@@H](Cc1ccccc1)CN1CC[C@@]([C@H](C1)C)(C)c1cccc(c1)O"	"UPNUIXSCZBYVBB-JVFUWBCBSA-N"	"InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1"	""	""	""
"5680"	"alvocidib"	""	"Synthetic organic"	""	""	""	""	"178102307"	"5287969"	""	""	"CHEMBL428690"	""	""	""	""	"2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one"	"alvocidib"	"flavopiridol|HL 275|HMR 1275|L 86-8275|L 868275|MDL-107826A|NSC-649890"	"CN1CC[C@@H]([C@@H](C1)O)c1c(O)cc(c2c1oc(cc2=O)c1ccccc1Cl)O"	"BIIVYFLTOXDAOV-YVEFUNNKSA-N"	"InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1"	""	""	""
"4622"	"ALX 1393"	""	"Synthetic organic"	""	""	""	""	"178101340"	"16078939"	""	""	"CHEMBL475562"	""	""	""	""	"(2S)-2-amino-3-{[2-(benzyloxy)phenyl](3-fluorophenyl)methoxy}propanoic acid"	""	"ALX-1393|ALX1393|O-[2-benzyloxyphenyl-3-flurophenyl]methyl-L-serine"	"Fc1cccc(c1)C(c1ccccc1OCc1ccccc1)OC[C@@H](C(=O)O)N"	"ADUSZEGHFWRTQS-AIBWNMTMSA-N"	"InChI=1S/C23H22FNO4/c24-18-10-6-9-17(13-18)22(29-15-20(25)23(26)27)19-11-4-5-12-21(19)28-14-16-7-2-1-3-8-16/h1-13,20,22H,14-15,25H2,(H,26,27)/t20-,22?/m0/s1"	""	""	""
"4767"	"ALX 1405"	""	"Synthetic organic"	""	""	""	""	"178101476"	"0"	""	""	""	""	""	""	""	""	""	"ALX-1405|ALX1405"	""	""	""	""	""	""
"607"	"ALX40-4C"	""	"Peptide"	""	""	""	""	"135651987"	"25077385"	""	""	""	""	""	""	""	""	""	"ALX 40-4C|N-alpha-acetyl-nona-D-arginine amide acetate"	"NC(=N)NCCC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N"	"LGLVVVCSQBZONM-HCCLCSBVSA-N"	"InChI=1S/C56H113N37O10/c1-29(94)85-31(12-3-21-77-49(60)61)40(96)87-33(14-5-23-79-51(64)65)42(98)89-35(16-7-25-81-53(68)69)44(100)91-37(18-9-27-83-55(72)73)46(102)93-38(19-10-28-84-56(74)75)47(103)92-36(17-8-26-82-54(70)71)45(101)90-34(15-6-24-80-52(66)67)43(99)88-32(13-4-22-78-50(62)63)41(97)86-30(39(57)95)11-2-20-76-48(58)59/h30-38H,2-28H2,1H3,(H2,57,95)(H,85,94)(H,86,97)(H,87,96)(H,88,99)(H,89,98)(H,90,101)(H,91,100)(H,92,103)(H,93,102)(H4,58,59,76)(H4,60,61,77)(H4,62,63,78)(H4,64,65,79)(H4,66,67,80)(H4,68,69,81)(H4,70,71,82)(H4,72,73,83)(H4,74,75,84)/t30-,31-,32-,33-,34-,35-,36-,37-,38-/m1/s1"	""	""	""
"12528"	"AM-0883"	""	"Synthetic organic"	""	""	""	""	"479821318"	"145997911"	""	""	""	""	""	""	""	"(5-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone"	""	""	"ClC1=CC=C2NCC3(CCN(CC3)C(=O)[C@H]4COC5=C(O4)C=CC=C5)C2=C1"	"BXICOOMUFFWMCC-LJQANCHMSA-N"	"InChI=1S/C21H21ClN2O3/c22-14-5-6-16-15(11-14)21(13-23-16)7-9-24(10-8-21)20(25)19-12-26-17-3-1-2-4-18(17)27-19/h1-6,11,19,23H,7-10,12-13H2/t19-/m1/s1"	""	""	""
"10276"	"AM-0902"	""	"Synthetic organic"	""	""	""	""	"381744957"	"73297271"	""	""	"CHEMBL3785736"	""	""	""	""	"1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one"	""	"AM0902|compound 27 [PMID: 26942860]"	"Clc1ccc(cc1)CCc1noc(n1)Cn1cnc2c(c1=O)n(C)cn2"	"AWJBWNUUODWOKQ-UHFFFAOYSA-N"	"InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-14-21-13(22-26-14)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3"	""	""	""
"6988"	"AM095"	""	"Synthetic organic"	""	""	""	""	"178103567"	"46213949"	""	""	"CHEMBL2182052"	""	""	""	""	"2-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid"	""	"AM 095|AM-095"	"OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1)C)C"	"LNDDRUPAICPXIN-GOSISDBHSA-N"	"InChI=1S/C27H24N2O5/c1-17-25(28-27(32)33-18(2)20-6-4-3-5-7-20)26(34-29-17)23-14-12-22(13-15-23)21-10-8-19(9-11-21)16-24(30)31/h3-15,18H,16H2,1-2H3,(H,28,32)(H,30,31)/t18-/m1/s1"	""	""	""
"10177"	"AM10257"	""	"Synthetic organic"	""	""	""	""	"381118887"	"137321161"	""	""	""	""	""	""	""	"N-(adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1H-pyrazole-3-carboxamide"	""	"AM-10257"	"OCCCCCn1nc(c(c1c1ccccc1)C)C(=O)NC12CC3CC(C2)CC(C1)C3"	"FMJXYCCDMAGPLE-UHFFFAOYSA-N"	"InChI=1S/C26H35N3O2/c1-18-23(25(31)27-26-15-19-12-20(16-26)14-21(13-19)17-26)28-29(10-6-3-7-11-30)24(18)22-8-4-2-5-9-22/h2,4-5,8-9,19-21,30H,3,6-7,10-17H2,1H3,(H,27,31)"	""	""	""
"9612"	"AM11542"	""	"Synthetic organic"	""	""	""	""	"340590242"	"53318931"	""	""	""	""	""	""	""	"(6aR,10aR)-3-(8-bromo-2-methyloctan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol"	""	""	"BrCCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)C)(C)C)(C)C"	"SZDVFUZKFPGYEK-WOJBJXKFSA-N"	"InChI=1S/C25H37BrO2/c1-17-10-11-20-19(14-17)23-21(27)15-18(16-22(23)28-25(20,4)5)24(2,3)12-8-6-7-9-13-26/h10,15-16,19-20,27H,6-9,11-14H2,1-5H3/t19-,20-/m1/s1"	""	""	""
"10292"	"AM12"	""	"Synthetic organic"	""	""	""	""	"381744973"	"137553166"	""	""	""	""	""	""	""	"2-(2-bromophenyl)-3,5,7-trihydroxy-4H-chromen-4-one"	""	"3,5,7-trihydroxy-2-(2-bromophenyl)-4H-chromen-4-one|AM-12"	"Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1Br"	"OVIAJBSVWWYJSD-UHFFFAOYSA-N"	"InChI=1S/C15H9BrO5/c16-9-4-2-1-3-8(9)15-14(20)13(19)12-10(18)5-7(17)6-11(12)21-15/h1-6,17-18,20H"	""	""	""
"3316"	"AM1241"	""	"Synthetic organic"	""	""	""	""	"178100350"	"10141893"	""	""	"CHEMBL408430"	""	""	""	""	"(2-iodo-5-nitrophenyl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone"	""	"AM 1241|AM-1241"	"CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)c1cc(ccc1I)N(=O)=O"	"ZUHIXXCLLBMBDW-UHFFFAOYSA-N"	"InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3"	""	""	""
"12532"	"AM-1473"	""	"Synthetic organic"	""	""	""	""	"479821322"	"167993650"	""	""	""	""	""	""	""	"4-{[(1R,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy}benzonitrile"	""	"AM1473"	"N[C@@H]1CCCN(C1)[C@H]2CC3=C(C=CC=C3)[C@H]2OC4=CC=C(C=C4)C#N"	"IVKKIBLLVHIRDV-JRGCBEDISA-N"	"InChI=1S/C21H23N3O/c22-13-15-7-9-18(10-8-15)25-21-19-6-2-1-4-16(19)12-20(21)24-11-3-5-17(23)14-24/h1-2,4,6-10,17,20-21H,3,5,11-12,14,23H2/t17-,20+,21-/m1/s1"	""	""	""
"13189"	"AM1476"	""	"Synthetic organic"	""	""	""	""	"491299971"	"171037445"	""	""	""	""	""	""	""	"(4R)-3-(4-fluoro-2-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyrazole-1-carboximidamide"	""	""	"FC1=CC(=C(C=C1)C2=NN(C[C@H]2C)C(N)=N)O"	"AQXHIDRAVIMBME-ZCFIWIBFSA-N"	"InChI=1S/C11H13FN4O/c1-6-5-16(11(13)14)15-10(6)8-3-2-7(12)4-9(8)17/h2-4,6,17H,5H2,1H3,(H3,13,14)/t6-/m1/s1"	""	""	""
"10202"	"AM1710"	""	"Synthetic organic"	""	""	""	""	"381118912"	"11268660"	""	""	"CHEMBL266712"	""	""	""	""	"1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one"	""	"AM-1710|analog 4b [PMID: 18038967]"	"CCCCCCC(c1cc(O)c2c(c1)oc(=O)c1c2cc(OC)cc1)(C)C"	"ZAIKPEWFCSQNQB-UHFFFAOYSA-N"	"InChI=1S/C23H28O4/c1-5-6-7-8-11-23(2,3)15-12-19(24)21-18-14-16(26-4)9-10-17(18)22(25)27-20(21)13-15/h9-10,12-14,24H,5-8,11H2,1-4H3"	""	""	""
"9705"	"AM2201"	""	"Synthetic organic"	""	""	""	""	"348353664"	"53393997"	""	""	"CHEMBL3526578"	""	""	""	""	"[1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone"	""	"AM-2201"	"FCCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2"	"ALQFAGFPQCBPED-UHFFFAOYSA-N"	"InChI=1S/C24H22FNO/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16H2"	""	""	""
"10421"	"AM237"	""	"Synthetic organic"	""	""	""	""	"385612181"	"90403462"	""	""	""	""	""	""	""	"7-[(4-chlorophenyl)methyl]-8-[4-chloro-3-(trifluoromethoxy)phenoxy]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione"	""	"Example 319 [WO2014143799]"	"OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1ccc(c(c1)OC(F)(F)F)Cl"	"UNQYAAAWKOOBFQ-UHFFFAOYSA-N"	"InChI=1S/C23H19Cl2F3N4O5/c1-30-19-18(20(34)31(22(30)35)9-2-10-33)32(12-13-3-5-14(24)6-4-13)21(29-19)36-15-7-8-16(25)17(11-15)37-23(26,27)28/h3-8,11,33H,2,9-10,12H2,1H3"	""	""	""
"3317"	"AM251"	""	"Synthetic organic"	""	""	""	""	"178100351"	"2125"	""	""	"CHEMBL285932"	""	""	""	""	"1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide"	""	"AM 251|AM-251"	"Ic1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1"	"BUZAJRPLUGXRAB-UHFFFAOYSA-N"	"InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)"	""	""	""
"741"	"AM281"	""	"Synthetic organic"	""	""	""	""	"135649928"	"4302962"	""	""	"CHEMBL476833"	""	""	""	""	"1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide"	""	"AM 281|AM-281"	"Ic1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCOCC1"	"AJFFBPZYXRNAIC-UHFFFAOYSA-N"	"InChI=1S/C21H19Cl2IN4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-4-15(22)12-17(18)23)20(13)14-2-5-16(24)6-3-14/h2-7,12H,8-11H2,1H3,(H,26,29)"	""	""	""
"5635"	"AM3"	""	"Peptide"	""	""	""	""	"178102264"	"0"	""	""	""	""	""	""	""	""	""	"DOTA-Tyr-cyclo(DAB-Arg-cyclo(Cys-Phe-D-Trp-Lys-Thr-Cys)"	""	""	""	""	""	""
"11262"	"AM-37"	""	"Synthetic organic"	""	""	""	""	"434321697"	"122181321"	""	""	"CHEMBL3590072"	""	""	""	""	"(2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]-N-[(1-pyridin-3-ylcyclohexyl)methyl]propanamide"	""	""	"COc1ccc(cc1)NC(=O)N[C@@H](C(=O)NCC1(CCCCC1)c1cccnc1)Cc1c[nH]c2c1cccc2"	"INNVRNIOVHJSQS-MUUNZHRXSA-N"	"InChI=1S/C31H35N5O3/c1-39-25-13-11-24(12-14-25)35-30(38)36-28(18-22-19-33-27-10-4-3-9-26(22)27)29(37)34-21-31(15-5-2-6-16-31)23-8-7-17-32-20-23/h3-4,7-14,17,19-20,28,33H,2,5-6,15-16,18,21H2,1H3,(H,34,37)(H2,35,36,38)/t28-/m1/s1"	""	""	""
"12556"	"AM404"	""	"Synthetic organic"	""	""	""	""	"479821346"	"6604822"	""	""	"CHEMBL39878"	""	""	""	""	"(5Z,8Z,11Z,14Z)-N-(4-hydroxyphenyl)icosa-5,8,11,14-tetraenamide"	""	"AM-404|N-arachidonoylaminophenol"	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1=CC=C(C=C1)O"	"IJBZOOZRAXHERC-DOFZRALJSA-N"	"InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)27-24-20-22-25(28)23-21-24/h6-7,9-10,12-13,15-16,20-23,28H,2-5,8,11,14,17-19H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-"	""	""	""
"10170"	"AM-461"	""	"Synthetic organic"	""	""	""	""	"381118880"	"44600763"	""	""	""	""	""	""	""	"2-[3-[2-(tert-butylsulfanylmethyl)-4-(2,2-dimethylpropanoylamino)phenoxy]-4-methoxyphenyl]acetic acid"	""	"AM461|Compound 1 [WO2011085033]"	"COc1ccc(cc1Oc1ccc(cc1CSC(C)(C)C)NC(=O)C(C)(C)C)CC(=O)O"	"SDHFXINHZHARIB-UHFFFAOYSA-N"	"InChI=1S/C25H33NO5S/c1-24(2,3)23(29)26-18-9-11-19(17(14-18)15-32-25(4,5)6)31-21-12-16(13-22(27)28)8-10-20(21)30-7/h8-12,14H,13,15H2,1-7H3,(H,26,29)(H,27,28)"	"yes"	""	""
"10119"	"AM-6120"	""	"Peptide"	""	""	""	""	"381118829"	"0"	""	""	""	""	""	""	""	""	""	"AM6120|peptide 41 [PMID: 30346167]"	""	""	""	"yes"	""	""
"750"	"AM-630"	""	"Synthetic organic"	""	""	""	""	"135649929"	"4302963"	""	""	"CHEMBL181633"	""	""	""	""	"[6-iodo-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone"	""	"6-iodopravadoline|AM 630|AM630"	"COc1ccc(cc1)C(=O)c1c(C)n(c2c1ccc(c2)I)CCN1CCOCC1"	"JHOTYHDSLIUKCJ-UHFFFAOYSA-N"	"InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3"	""	""	""
"10520"	"AM-6494"	""	"Synthetic organic"	""	""	""	""	"387065602"	"118866105"	""	""	""	""	""	""	""	"N-[3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-5-prop-2-ynoxypyrazine-2-carboxamide"	""	"compound 20 [PMID: 31589043]"	"C#CCOc1ncc(nc1)C(=O)Nc1cc(F)c(c(c1)[C@@]1(C)N=C(N)S[C@@]2([C@H]1C2)COC)F"	"IPUJINDWAGRAHN-KNXBSLHKSA-N"	"InChI=1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1"	""	""	""
"9338"	"AM6538"	""	"Synthetic organic"	""	""	""	""	"328083441"	"46912833"	""	""	""	""	""	""	""	"4-{4-[1-(2,4-dichlorophenyl)-4-methyl-3-[(piperidin-1-yl)carbamoyl]-1H-pyrazol-5-yl]phenyl}but-3-yn-1-yl nitrate"	""	"4-(4-(1-(2,4-dichlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)-1 H-pyrazol-5- yl)phenyl)but-3-ynyl nitrate|compound 10 [WO2010104488]|Example 2 [WO2010104488]"	"[O-][N+](=O)OCCC#Cc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1"	"KXXKUWQMQUYUSE-UHFFFAOYSA-N"	"InChI=1S/C26H25Cl2N5O4/c1-18-24(26(34)30-31-14-4-2-5-15-31)29-32(23-13-12-21(27)17-22(23)28)25(18)20-10-8-19(9-11-20)7-3-6-16-37-33(35)36/h8-13,17H,2,4-6,14-16H2,1H3,(H,30,34)"	""	""	""
"10029"	"AM6545"	""	"Synthetic organic"	""	""	""	""	"375973217"	"46912919"	""	""	""	""	""	""	""	"5-[4-(4-cyanobut-1-ynyl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrazole-3-carboxamide"	""	"AM 6545|AM-6545"	"N#CCCC#Cc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCS(=O)(=O)CC1"	"XBHQLFVDGLPBCK-UHFFFAOYSA-N"	"InChI=1S/C26H23Cl2N5O3S/c1-18-24(26(34)31-32-13-15-37(35,36)16-14-32)30-33(23-11-10-21(27)17-22(23)28)25(18)20-8-6-19(7-9-20)5-3-2-4-12-29/h6-11,17H,2,4,13-16H2,1H3,(H,31,34)"	""	""	""
"8292"	"AM7"	""	"Synthetic organic"	""	""	""	""	"252166504"	"11650194"	""	""	"CHEMBL505896"	""	""	""	""	"5-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-methyl-2-(phenylmethyl)pyrimidin-4-one"	""	"AM 7|AM-7|pyrimidone, 22"	"COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)c1cnc(n(c1=O)C)Cc1ccccc1"	"PEGWVOKOYYAQEV-UHFFFAOYSA-N"	"InChI=1S/C35H35FN4O5/c1-39-34(19-24-7-4-3-5-8-24)38-23-27(35(39)41)25-9-10-31(28(36)20-25)45-30-11-12-37-29-22-33(32(42-2)21-26(29)30)44-16-6-13-40-14-17-43-18-15-40/h3-5,7-12,20-23H,6,13-19H2,1-2H3"	""	""	""
"9257"	"AM7499"	""	"Synthetic organic"	""	""	""	""	"315661332"	"121231416"	""	""	""	""	""	""	""	"butyl 2-[(6aR,9R,10aR)-1-hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromen-3-yl]-2-methylpropanoate"	""	"compound 3b [PMID: 27367336]"	"CCCCOC(=O)C(c1cc(O)c2c(c1)OC([C@H]1[C@H]2C[C@H](CO)CC1)(C)C)(C)C"	"OSVHLUXLWQLPIY-KBAYOESNSA-N"	"InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1"	""	""	""
"9613"	"AM841"	""	"Synthetic organic"	""	""	""	""	"340590243"	"102336704"	""	""	""	""	""	""	""	"(6aR,9R,10aR)-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyloctan-2-yl)-6,6-dimethyl-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromen-1-ol"	""	"AM-841"	"S=C=NCCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2C[C@H](CO)CC1)(C)C)(C)C"	"JCIYJYHFBBXSBF-HMXCVIKNSA-N"	"InChI=1S/C26H39NO3S/c1-25(2,11-7-5-6-8-12-27-17-31)19-14-22(29)24-20-13-18(16-28)9-10-21(20)26(3,4)30-23(24)15-19/h14-15,18,20-21,28-29H,5-13,16H2,1-4H3/t18-,20-,21-/m1/s1"	""	""	""
"14400"	"AM-8722"	""	"Synthetic organic"	""	""	""	""	"523352192"	"164946813"	""	""	"CHEMBL5285209"	""	""	""	""	"6-[[[1-[2-[3-chloro-5-(2-hydroxyethyl)-6-oxo-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one"	""	""	"C1CC2(CCC1(CO2)NCC3=NC4=C(C=C3)OCC(=O)N4)CCC5=C6C(=NC=C5Cl)C=CC(=O)N6CCO"	"CUPUIWBDRFRTJJ-UHFFFAOYSA-N"	"InChI=1S/C27H30ClN5O5/c28-19-14-29-20-2-4-23(36)33(11-12-34)24(20)18(19)5-6-27-9-7-26(8-10-27,16-38-27)30-13-17-1-3-21-25(31-17)32-22(35)15-37-21/h1-4,14,30,34H,5-13,15-16H2,(H,31,32,35)"	""	""	"yes"
"2905"	"AM966"	""	"Synthetic organic"	""	""	""	""	"135649931"	"46240292"	""	""	""	""	""	""	""	"2-(4-{4-[4-({[(1R)-1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}phenyl)acetic acid"	""	"AM 966|AM-966"	"OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1Cl)C)C"	"WWQTWEWAPUCDDZ-QGZVFWFLSA-N"	"InChI=1S/C27H23ClN2O5/c1-16-25(29-27(33)34-17(2)22-5-3-4-6-23(22)28)26(35-30-16)21-13-11-20(12-14-21)19-9-7-18(8-10-19)15-24(31)32/h3-14,17H,15H2,1-2H3,(H,29,33)(H,31,32)/t17-/m1/s1"	""	""	""
"5134"	"AMA"	""	"Synthetic organic"	""	""	""	""	"178101826"	"10428412"	""	""	""	""	""	""	""	"[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[2-(hydroxyamino)ethyl]-methylsulfanium"	""	"S-(5'-deoxy-5'-adenosyl)-methylthioethyl-hydroxylamine"	"ONCC[S+](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)C"	"VJHFTTWXKUEKQP-VCZNENMGSA-N"	"InChI=1S/C13H21N6O4S/c1-24(3-2-18-22)4-7-9(20)10(21)13(23-7)19-6-17-8-11(14)15-5-16-12(8)19/h5-7,9-10,13,18,20-22H,2-4H2,1H3,(H2,14,15,16)/q+1/t7-,9-,10-,13-,24?/m1/s1"	""	""	""
"4632"	"amanitin"	""	"Peptide"	""	""	""	""	"178101350"	"73755106"	"P85421"	""	""	""	""	""	""	"2-[(1R,4S,10S,13S,16S,34S)-34-(butan-2-yl)-13-[(3R)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27$l^{4}-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.0^{6,10}.0^{18,26}.0^{19,24}]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetamide"	""	"&alpha;-amanitin"	"OC[C@@H](C([C@@H]1NC(=O)[C@@H]2CC(CN2C(=O)[C@H](CC(=O)N)NC(=O)[C@@H]2CS(=O)c3c(C[C@H](NC1=O)C(=O)NCC(=O)N[C@@H](C(CC)C)C(=O)NCC(=O)N2)c1ccc(cc1[nH]3)O)O)C)O"	"CIORWBWIBBPXCG-JZTFPUPKSA-N"	"InChI=1S/C39H54N10O14S/c1-4-16(2)31-36(60)42-11-29(55)43-25-15-64(63)38-21(20-6-5-18(51)7-22(20)46-38)9-23(33(57)41-12-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-35(59)26-8-19(52)13-49(26)39(62)24(10-28(40)54)45-34(25)58/h5-7,16-17,19,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,57)(H,42,60)(H,43,55)(H,44,61)(H,45,58)(H,47,56)(H,48,59)/t16?,17?,19?,23-,24-,25-,26-,27-,31-,32-,64?/m0/s1"	""	""	""
"4128"	"amantadine"	""	"Synthetic organic"	"yes"	""	""	""	"178100950"	"2130"	""	""	"CHEMBL660"	""	""	""	""	"adamantan-1-amine"	"amantadine"	"ADS-5102|Gocovri&reg;|Symadine&reg;|Symmetrel&reg;"	"NC12CC3CC(C2)CC(C1)C3"	"DKNWSYNQZKUICI-UHFFFAOYSA-N"	"InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2"	""	""	""
"12459"	"amarogentin"	""	"Natural product"	""	""	""	""	"479821249"	"115149"	""	""	""	""	""	""	""	"[(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate"	""	""	"C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=C(C=C(C=C4O)O)C5=CC(=CC=C5)O"	"DBOVHQOUSDWAPQ-WTONXPSSSA-N"	"InChI=1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1"	""	""	""
"7750"	"amatuximab"	""	"Antibody"	""	""	""	""	"223366083"	"0"	""	""	""	""	""	""	""	""	"amatuximab"	"MORAb-009"	""	""	""	""	""	""
"3951"	"ambrisentan"	""	"Synthetic organic"	"yes"	""	""	""	"178100778"	"6918493"	""	""	"CHEMBL1111"	""	""	""	""	"(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-di(phenyl)propanoic acid"	"ambrisentan"	"Letairis&reg;"	"COC([C@@H](C(=O)O)Oc1nc(C)cc(n1)C)(c1ccccc1)c1ccccc1"	"OUJTZYPIHDYQMC-LJQANCHMSA-N"	"InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1"	""	""	""
"10692"	"ambroxol"	""	"Synthetic organic"	"yes"	""	""	""	"404859139"	"2132"	""	""	"CHEMBL1477775"	""	""	""	""	"4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol"	""	""	"OC1CCC(CC1)NCc1cc(Br)cc(c1N)Br"	"JBDGDEWWOUBZPM-UHFFFAOYSA-N"	"InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2"	""	""	""
"9924"	"amcasertib"	""	"Synthetic organic"	""	""	""	""	"363894218"	"74403975"	""	""	""	""	""	""	""	"N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide"	"amcasertib"	"BBI-503|BBI503"	"CCN(CCNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(cc2)c1csc(n1)c1ccccc1)CC"	"QDWKGEFGLQMDAM-UHFFFAOYSA-N"	"InChI=1S/C31H33N5O2S/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21/h7-13,16-18,33H,5-6,14-15H2,1-4H3,(H,32,38)(H,34,37)"	""	""	""
"10566"	"amcenestrant"	""	"Synthetic organic"	""	""	""	""	"404859013"	"137449472"	""	""	""	""	""	""	""	"6-(2,4-dichlorophenyl)-5-[4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid"	"amcenestrant"	"compound 43d [PMID: 31721572]|SAR-439859|SAR439859"	"FCCCN1CCC(C1)Oc1ccc(cc1)C1=C(CCCc2c1ccc(c2)C(=O)O)c1ccc(cc1Cl)Cl"	"KISZAGQTIXIVAR-UHFFFAOYSA-N"	"InChI=1S/C31H30Cl2FNO3/c32-23-8-12-27(29(33)18-23)28-4-1-3-21-17-22(31(36)37)7-11-26(21)30(28)20-5-9-24(10-6-20)38-25-13-16-35(19-25)15-2-14-34/h5-12,17-18,25H,1-4,13-16,19H2,(H,36,37)"	""	""	""
"7060"	"amcinonide"	""	"Synthetic organic"	"yes"	""	""	""	"178103639"	"443958"	""	""	"CHEMBL1200732"	""	""	""	""	""	"amcinonide"	"CL-34699|Cyclocort&reg;"	"CC(=O)OCC(=O)[C@@]12OC3(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CCC1=CC(=O)C=C[C@]21C)F)CCCC3"	"ILKJAFIWWBXGDU-MOGDOJJUSA-N"	"InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,27-,28+/m0/s1"	"yes"	""	""
"11699"	"amdizalisib"	""	"Synthetic organic"	""	""	""	""	"442878725"	"118981804"	""	""	"CHEMBL4438249"	""	""	""	""	"4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile"	"amdizalisib"	"compound 28 [PMID: 30582813]|compound 4 [WO2016045591A1]"	"C[C@@H](c1cc2ncc(n2nc1c1ccccc1)Cl)Nc1ncnc(c1C#N)N"	"WKDBRCUUDXLTIM-NSHDSACASA-N"	"InChI=1S/C19H15ClN8/c1-11(26-19-14(8-21)18(22)24-10-25-19)13-7-16-23-9-15(20)28(16)27-17(13)12-5-3-2-4-6-12/h2-7,9-11H,1H3,(H3,22,24,25,26)/t11-/m0/s1"	""	""	""
"13384"	"amelenodor"	""	"Synthetic organic"	""	""	""	""	"496703354"	"146651362"	""	""	"CHEMBL5095087"	""	""	""	""	"2-[3,5-bis[(6-methylpyridin-2-yl)oxy]phenoxy]-6-methylpyridine"	"amelenodor"	"example 2 [WO2020010132A1]|NX-13|NX13"	"CC1=NC(=CC=C1)OC2=CC(=CC(=C2)OC3=CC=CC(=N3)C)OC4=CC=CC(=N4)C"	"OPUQKVNCXCWRLR-UHFFFAOYSA-N"	"InChI=1S/C24H21N3O3/c1-16-7-4-10-22(25-16)28-19-13-20(29-23-11-5-8-17(2)26-23)15-21(14-19)30-24-12-6-9-18(3)27-24/h4-15H,1-3H3"	"yes"	""	""
"8463"	"amelubant"	""	"Synthetic organic"	""	""	""	""	"252166673"	"60096302"	""	""	""	""	""	""	""	"ethyl (NZ)-N-[amino-[4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylidene]carbamate"	"amelubant"	"BIIL 284|BIIL-284"	"CCOC(=O)NC(=N)c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(c1ccc(cc1)O)(C)C"	"SBVYURPQULDJTI-UHFFFAOYSA-N"	"InChI=1S/C33H34N2O5/c1-4-38-32(37)35-31(34)25-8-16-29(17-9-25)39-21-23-6-5-7-24(20-23)22-40-30-18-12-27(13-19-30)33(2,3)26-10-14-28(36)15-11-26/h5-20,36H,4,21-22H2,1-3H3,(H2,34,35,37)"	"yes"	""	""
"199"	"amesergide"	""	"Synthetic organic"	""	""	""	""	"135649933"	"9821951"	""	""	"CHEMBL160293"	""	""	""	""	"(6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide"	"amesergide"	"LY-237733|LY237733"	"O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1"	"KEMOOQHMCGCZKH-JMUQELJHSA-N"	"InChI=1S/C25H35N3O/c1-16(2)28-15-17-13-23-21(20-10-7-11-22(28)24(17)20)12-18(14-27(23)3)25(29)26-19-8-5-4-6-9-19/h7,10-11,15-16,18-19,21,23H,4-6,8-9,12-14H2,1-3H3,(H,26,29)/t18-,21-,23-/m1/s1"	""	""	""
"7565"	"amfenac"	""	"Synthetic organic"	"yes"	""	""	""	"223365901"	"2136"	""	""	"CHEMBL25146"	""	""	""	""	"2-[2-amino-3-(benzoyl)phenyl]acetic acid"	"amfenac"	"AHR-5850D|Fenazox&reg; (Japan)"	"OC(=O)Cc1cccc(c1N)C(=O)c1ccccc1"	"SOYCMDCMZDHQFP-UHFFFAOYSA-N"	"InChI=1S/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18)"	""	""	""
"8227"	"amg-1"	""	"Synthetic organic"	""	""	""	""	"249565907"	"1085108"	""	""	""	""	""	""	""	"N-(1,3-benzodioxol-5-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[3,2-d][1,2,4]triazol-3-yl]sulfanyl]acetamide"	""	""	"O=C(Nc1ccc2c(c1)OCO2)CSc1nnc2n1c(cs2)c1ccc(cc1)C"	"XYXNYQAJSYUYNZ-UHFFFAOYSA-N"	"InChI=1S/C20H16N4O3S2/c1-12-2-4-13(5-3-12)15-9-28-19-22-23-20(24(15)19)29-10-18(25)21-14-6-7-16-17(8-14)27-11-26-16/h2-9H,10-11H2,1H3,(H,21,25)"	""	""	""
"12186"	"AMG28"	""	"Synthetic organic"	""	""	""	""	"472319308"	"58221549"	""	""	"CHEMBL2334586"	""	""	""	""	""	""	"example 240 [WO2009158011A1]|inhibitor 3 [PMID: 33944571]"	"CC(C)(C#Cc1cc2c(cc1)[nH]c1c2c2c(CCC1)cnc(n2)N)O"	"DGLFSNZWRYADFC-UHFFFAOYSA-N"	"InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24)"	""	""	""
"9587"	"AMG3054"	""	"Peptide"	""	""	""	""	"340590218"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8917"	"AMG319"	""	"Synthetic organic"	""	""	""	""	"310264698"	"68947304"	""	""	""	""	""	""	""	"N-[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine"	""	"AMG 319|AMG-319"	"Fc1ccc2c(c1)nc(c(c2)[C@@H](Nc1ncnc2c1[nH]cn2)C)c1ccccn1"	"KWRYMZHCQIOOEB-LBPRGKRZSA-N"	"InChI=1S/C21H16FN7/c1-12(28-21-19-20(25-10-24-19)26-11-27-21)15-8-13-5-6-14(22)9-17(13)29-18(15)16-4-2-3-7-23-16/h2-12H,1H3,(H2,24,25,26,27,28)/t12-/m0/s1"	"yes"	""	""
"8913"	"AMG-337"	""	"Synthetic organic"	""	""	""	""	"310264694"	"44181686"	""	""	"CHEMBL3785909"	""	""	""	""	"6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one"	""	"AMG 337|compound 24 [PMID: 19819693]"	"COCCOc1cnc2c(c1)c(=O)n(cc2)[C@@H](c1nnc2n1cc(cc2F)c1cnn(c1)C)C"	"DWHXUGDWKAIASB-CQSZACIVSA-N"	"InChI=1S/C23H22FN7O3/c1-14(30-5-4-20-18(23(30)32)9-17(11-25-20)34-7-6-33-3)21-27-28-22-19(24)8-15(13-31(21)22)16-10-26-29(2)12-16/h4-5,8-14H,6-7H2,1-3H3/t14-/m1/s1"	""	""	""
"14140"	"AMG-35"	""	"Synthetic organic"	""	""	""	""	"518520767"	"176516525"	""	""	""	""	""	""	""	"N-[(2S)-1-[4-(3,4-dichlorobenzenesulfonyl)piperazin-1-yl]propan-2-yl]-7-methyl-6H,7H-thieno[3,2-d]pyrimidin-4-amine"	""	"AMG35|Amgen Compound 35"	"C[C@@H](CN1CCN(CC1)S(=O)(=O)C2=CC(Cl)=C(Cl)C=C2)NC3=NC=NC4=C3SCC4C"	"KUFICDBPFVFODH-KZUDCZAMSA-N"	"InChI=1S/C20H25Cl2N5O2S2/c1-13-11-30-19-18(13)23-12-24-20(19)25-14(2)10-26-5-7-27(8-6-26)31(28,29)15-3-4-16(21)17(22)9-15/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,23,24,25)/t13?,14-/m0/s1"	""	""	""
"14131"	"AMG410"	""	"Synthetic organic"	""	""	""	""	"518520758"	"172142898"	""	""	""	""	""	""	""	""	""	"AMG 410|AMG-410|example 99 [WO2024107686]"	"FC1=C2C3=C4C=NNC4=CC(Cl)=C3CCCOC(O[C@@H]5COCCN(C6=NC(=NC1=C6C=N2)OC[C@]78C[C@@H](F)CN7CCC8)C5)=O"	"FRRZEUVDJRQIGA-QSDPREHASA-N"	"InChI=1S/C31H32ClF2N7O5/c32-22-9-23-20(12-36-39-23)24-19(22)3-1-7-44-30(42)46-18-14-40(6-8-43-15-18)28-21-11-35-27(24)25(34)26(21)37-29(38-28)45-16-31-4-2-5-41(31)13-17(33)10-31/h9,11-12,17-18H,1-8,10,13-16H2,(H,36,39)/t17-,18+,31+/m1/s1"	""	""	""
"13071"	"AMG487"	""	"Synthetic organic"	""	""	""	""	"491299853"	"10282265"	""	""	""	""	""	""	""	"N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide"	""	"AMG 487|AMG-487|compound 47 [PMID: 17448658]"	"CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=CC=C3)N=C2C(C)N(CC4=CN=CC=C4)C(=O)CC5=CC=C(C=C5)OC(F)(F)F"	"WQTKNBPCJKRYPA-UHFFFAOYSA-N"	"InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3"	"yes"	""	""
"4129"	"AMG517"	""	"Synthetic organic"	""	""	""	""	"178100951"	"16007367"	""	""	"CHEMBL229430"	""	""	""	""	"N-[4-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)-1,3-benzothiazol-2-yl]acetamide"	""	"AMG 517|AMG-517"	"CC(=O)Nc1sc2c(n1)c(ccc2)Oc1ncnc(c1)c1ccc(cc1)C(F)(F)F"	"YUTIXVXZQIQWGY-UHFFFAOYSA-N"	"InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)"	""	""	""
"4130"	"AMG628"	""	"Synthetic organic"	""	""	""	""	"178100952"	"11352366"	""	""	"CHEMBL226574"	""	""	""	""	"N-{4-[(6-{4-[(1R)-1-(4-fluorophenyl)ethyl]piperazin-1-yl}pyrimidin-4-yl)oxy]-1,3-benzothiazol-2-yl}acetamide"	""	"AMG 628|AMG-628"	"CC(=O)Nc1sc2c(n1)c(ccc2)Oc1ncnc(c1)N1CCN(CC1)[C@@H](c1ccc(cc1)F)C"	"QUHZTEMPQQZPNB-MRXNPFEDSA-N"	"InChI=1S/C25H25FN6O2S/c1-16(18-6-8-19(26)9-7-18)31-10-12-32(13-11-31)22-14-23(28-15-27-22)34-20-4-3-5-21-24(20)30-25(35-21)29-17(2)33/h3-9,14-16H,10-13H2,1-2H3,(H,29,30,33)/t16-/m1/s1"	""	""	""
"11949"	"AMG650"	""	"Synthetic organic"	""	""	""	""	"461663504"	"153624776"	""	""	""	""	""	""	""	"2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4-fluoro-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]-4-(2-hydroxyethylsulfonylamino)benzamide"	""	"AMG 650|AMG-650|example 11-52 [US20200239441A1]"	"Cc1nc(nc(NC(=O)c2c(cc(NS(=O)(=O)CCO)cc2)N2CCC3(CC3)CC2)c1)N1CCC(C)(F)CC1"	"JFARSZKBZGPJGR-UHFFFAOYSA-N"	"InChI=1S/C27H37FN6O4S/c1-19-17-23(31-25(29-19)34-11-7-26(2,28)8-12-34)30-24(36)21-4-3-20(32-39(37,38)16-15-35)18-22(21)33-13-9-27(5-6-27)10-14-33/h3-4,17-18,32,35H,5-16H2,1-2H3,(H,29,30,31,36)"	""	""	""
"5803"	"AMG7703"	""	"Synthetic organic"	""	""	""	""	"178102428"	"854189"	""	""	"CHEMBL594671"	""	""	""	""	"(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide"	""	"AMG 7703|AMG-7703|CFMB|phenylacetamide 1 [PMID: 18818303]"	"CC([C@H](C(=O)Nc1nccs1)c1ccc(cc1)Cl)C"	"AZYDQCGCBQYFSE-LBPRGKRZSA-N"	"InChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)/t12-/m0/s1"	""	""	""
"12756"	"AMG-7905"	""	"Synthetic organic"	""	""	""	""	"483123304"	"11755037"	""	""	""	""	""	""	""	"N-[6-[2-(cyclohexylmethylamino)-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-benzothiazol-6-amine"	""	"AMG7905"	"C1CCC(CC1)CNC2=C(C=CC(=C2)C(F)(F)F)C3=CC(=NC=N3)NC4=CC5=C(C=C4)N=CS5"	"HDEGHWQWPSXKSF-UHFFFAOYSA-N"	"InChI=1S/C25H24F3N5S/c26-25(27,28)17-6-8-19(21(10-17)29-13-16-4-2-1-3-5-16)22-12-24(31-14-30-22)33-18-7-9-20-23(11-18)34-15-32-20/h6-12,14-16,29H,1-5,13H2,(H,30,31,33)"	""	""	""
"9106"	"AMG820"	""	"Antibody"	""	""	""	""	"315661191"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"6485"	"AMG-837"	""	"Synthetic organic"	""	""	""	""	"178103099"	"46854655"	""	""	"CHEMBL1829173"	""	""	""	""	"(3S)-3-[4-({3-[4-(trifluoromethyl)phenyl]phenyl}methoxy)phenyl]hex-4-ynoic acid"	""	"AMG 837|AMG837"	"CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O"	"ZOPNBMMVVZRSGH-NRFANRHFSA-N"	"InChI=1S/C26H21F3O3/c1-2-4-21(16-25(30)31)20-9-13-24(14-10-20)32-17-18-5-3-6-22(15-18)19-7-11-23(12-8-19)26(27,28)29/h3,5-15,21H,16-17H2,1H3,(H,30,31)/t21-/m0/s1"	""	""	""
"9639"	"AMG-8718"	""	"Synthetic organic"	""	""	""	""	"340590269"	"45254510"	""	""	""	""	""	""	""	""	""	""	"NC1=N[C@]2(CO1)c1cc(C#CC3(C)COC3)cnc1Oc1c2cc(cc1)c1cccnc1F"	"GKKFBOARESVMBW-VWLOTQADSA-N"	"InChI=1S/C25H19FN4O3/c1-24(12-31-13-24)7-6-15-9-19-22(29-11-15)33-20-5-4-16(17-3-2-8-28-21(17)26)10-18(20)25(19)14-32-23(27)30-25/h2-5,8-11H,12-14H2,1H3,(H2,27,30)/t25-/m0/s1"	""	""	""
"8060"	"AMG-900"	""	"Synthetic organic"	""	""	""	""	"249565740"	"24856041"	""	""	"CHEMBL2140408"	""	""	""	""	"N-[4-[3-(2-aminopyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine"	""	"AMG 900|AMG900"	"Cc1csc(c1)c1nnc(c2c1cccc2)Nc1ccc(cc1)Oc1ncccc1c1ccnc(n1)N"	"IVUGFMLRJOCGAS-UHFFFAOYSA-N"	"InChI=1S/C28H21N7OS/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23/h2-16H,1H3,(H,32,35)(H2,29,31,33)"	""	""	""
"6347"	"AMG 9810"	""	"Synthetic organic"	""	""	""	""	"178102965"	"680502"	""	""	"CHEMBL195789"	""	""	""	""	"3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide"	""	"AMG-9810|AMG9810"	"O=C(Nc1ccc2c(c1)OCCO2)/C=C/c1ccc(cc1)C(C)(C)C"	"GZTFUVZVLYUPRG-IZZDOVSWSA-N"	"InChI=1S/C21H23NO3/c1-21(2,3)16-7-4-15(5-8-16)6-11-20(23)22-17-9-10-18-19(14-17)25-13-12-24-18/h4-11,14H,12-13H2,1-3H3,(H,22,23)/b11-6+"	""	""	""
"7028"	"AMI-1"	""	"Synthetic organic"	""	""	""	""	"178103607"	"67254"	""	""	"CHEMBL221047"	""	""	""	""	"4-hydroxy-7-{[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoyl]amino}naphthalene-2-sulfonic acid"	""	"AMI 1|AMI1"	"O=C(Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O)Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O"	"PCGISRHGYLRXSR-UHFFFAOYSA-N"	"InChI=1S/C21H16N2O9S2/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32)"	""	""	""
"568"	"amibegron"	""	"Synthetic organic"	""	""	""	""	"135651081"	"3035442"	""	""	"CHEMBL1193948"	""	""	""	""	"ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate"	"amibegron"	"SR 58611|SR-58,611A|SR-58611A|SR58611A"	"CCOC(=O)COc1ccc2c(c1)C[C@H](CC2)NC[C@@H](c1cccc(c1)Cl)O"	"RDJQCOBTKKAQAH-FPOVZHCZSA-N"	"InChI=1S/C22H26ClNO4/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3/t19-,21-/m0/s1"	""	""	""
"514"	"amidephrine"	""	"Synthetic organic"	""	""	""	""	"135649935"	"15010"	""	""	"CHEMBL146408"	""	""	""	""	"N-[3-(1-hydroxy-2-methylaminoethyl)phenyl]methanesulfonamide"	"amidefrine mesilate"	""	"CNCC(c1cccc(c1)NS(=O)(=O)C)O"	"ZHOWHMXTJFZXRB-UHFFFAOYSA-N"	"InChI=1S/C10H16N2O3S/c1-11-7-10(13)8-4-3-5-9(6-8)12-16(2,14)15/h3-6,10-13H,7H2,1-2H3"	""	""	""
"8032"	"amifampridine"	""	"Synthetic organic"	"yes"	""	""	""	"249565712"	"5918"	""	""	"CHEMBL354077"	""	""	""	""	"pyridine-3,4-diamine"	"amifampridine"	"3,4-DAP|3,4-diaminopyridine|Firdapse&reg;|Ruzurgi&reg;|Zenas&reg;"	"Nc1cnccc1N"	"OYTKINVCDFNREN-UHFFFAOYSA-N"	"InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)"	""	""	""
"10758"	"amifloxacin"	""	"Synthetic organic"	""	""	""	""	"405560199"	"55492"	""	""	"CHEMBL6231"	""	""	""	""	"6-fluoro-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid"	"amifloxacin"	"compound 7 [PMID: 2834557]|WIN 49, 375|WIN 49,375-3|WIN-49375|WIN49375"	"CNn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F"	"RUXPNBWPIRDVTH-UHFFFAOYSA-N"	"InChI=1S/C16H19FN4O3/c1-18-21-9-11(16(23)24)15(22)10-7-12(17)14(8-13(10)21)20-5-3-19(2)4-6-20/h7-9,18H,3-6H2,1-2H3,(H,23,24)"	""	""	"yes"
"10894"	"amikacin"	""	"Synthetic organic"	"yes"	""	""	""	"405560335"	"37768"	""	""	"CHEMBL177"	""	""	""	""	"(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide"	"amikacin"	"Amikin&reg;|AMK|Arikayce liposomal&reg;|BB-K8"	"NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O"	"LKCWBDHBTVXHDL-RMDFUYIESA-N"	"InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1"	""	""	"yes"
"2421"	"amiloride"	""	"Synthetic organic"	"yes"	""	""	""	"135649936"	"16231"	""	""	"CHEMBL945"	""	""	""	""	"3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide"	"amiloride"	"amiloride HCl|Midamor&reg;"	"NC(=NC(=O)c1nc(Cl)c(nc1N)N)N"	"XSDQTOBWRPYKKA-UHFFFAOYSA-N"	"InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)"	""	""	""
"4768"	"aminobenzovesamicol"	""	"Synthetic organic"	""	""	""	""	"178101477"	"10390222"	""	""	"CHEMBL50880"	""	""	""	""	"(3R,4R)-1-[(3-iodophenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol"	""	"compound 11 [PMID: :7702637]|M-iodobenzyltrozamicol"	"Ic1cccc(c1)CN1CC[C@H]([C@@H](C1)N1CCC(CC1)c1ccccc1)O"	"UBVKSFDICLMPLH-DHIUTWEWSA-N"	"InChI=1S/C23H29IN2O/c24-21-8-4-5-18(15-21)16-25-12-11-23(27)22(17-25)26-13-9-20(10-14-26)19-6-2-1-3-7-19/h1-8,15,20,22-23,27H,9-14,16-17H2/t22-,23-/m1/s1"	""	""	""
"8860"	"aminoethoxyvinylglycine"	""	"Synthetic organic"	""	""	""	""	"252827517"	"6436272"	""	""	"CHEMBL1619821"	""	""	""	""	"(E,2S)-2-amino-4-(2-aminoethoxy)but-3-enoic acid"	""	"AVG|aviglycine"	"N[C@H](C(=O)O)/C=C/OCCN"	"USGUVNUTPWXWBA-JRIXXDKMSA-N"	"InChI=1S/C6H12N2O3/c7-2-4-11-3-1-5(8)6(9)10/h1,3,5H,2,4,7-8H2,(H,9,10)/b3-1+/t5-/m0/s1"	""	""	""
"7054"	"aminoglutethimide"	""	"Synthetic organic"	"yes"	""	""	""	"178103633"	"2145"	""	""	"CHEMBL488"	""	""	""	""	"3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione"	"aminoglutethimide"	"Cytadren&reg;"	"CCC1(CCC(=O)NC1=O)c1ccc(cc1)N"	"ROBVIMPUHSLWNV-UHFFFAOYSA-N"	"InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)"	""	""	""
"5135"	"aminoguanidine"	""	"Metabolite"	""	""	""	""	"178101827"	"2146"	""	""	"CHEMBL225304"	""	""	""	""	"1-aminoguanidine"	"pimagedine"	"amino guanidine|pimagedine"	"NNC(=N)N"	"HAMNKKUPIHEESI-UHFFFAOYSA-N"	"InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)"	""	""	""
"4810"	"aminohippuric acid"	""	"Metabolite"	"yes"	""	""	""	"178101512"	"2148"	""	""	"CHEMBL463"	""	""	""	""	"2-[(4-aminophenyl)formamido]acetic acid"	""	"Aminohippurate Sodium&reg;|p-aminohippurate|p-aminohippuric acid|PAH"	"O=C(c1ccc(cc1)N)NCC(=O)O"	"HSMNQINEKMPTIC-UHFFFAOYSA-N"	"InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)"	""	""	""
"5136"	"aminooxyacetic acid"	""	"Metabolite"	""	""	""	""	"178101828"	"286"	""	""	"CHEMBL347862"	""	""	""	""	"2-(aminooxy)acetic acid"	""	"AOA|AOAA|carboxymethoxylamine"	"NOCC(=O)O"	"NQRKYASMKDDGHT-UHFFFAOYSA-N"	"InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)"	""	""	""
"5927"	"aminopurvalanol A"	""	"Synthetic organic"	""	""	""	""	"178102550"	"6604931"	""	""	"CHEMBL286721"	""	""	""	""	"(2R)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol"	""	"NG-97"	"OC[C@@H](C(C)C)Nc1nc(Nc2cc(N)cc(c2)Cl)c2c(n1)n(cn2)C(C)C"	"RAMROQQYRRQPDL-HNNXBMFYSA-N"	"InChI=1S/C19H26ClN7O/c1-10(2)15(8-28)24-19-25-17(23-14-6-12(20)5-13(21)7-14)16-18(26-19)27(9-22-16)11(3)4/h5-7,9-11,15,28H,8,21H2,1-4H3,(H2,23,24,25,26)/t15-/m0/s1"	""	""	""
"10051"	"aminopyridine 2"	""	"Synthetic organic"	""	""	""	""	"375973239"	"134813904"	""	""	""	""	""	""	""	"1-((6-aminopyridin-3-yl)methyl)-3-(4-bromophenyl)urea"	""	""	"O=C(Nc1ccc(cc1)Br)NCc1ccc(nc1)N"	"NNDXEGUWCFIHTD-UHFFFAOYSA-N"	"InChI=1S/C13H13BrN4O/c14-10-2-4-11(5-3-10)18-13(19)17-8-9-1-6-12(15)16-7-9/h1-7H,8H2,(H2,15,16)(H2,17,18,19)"	"yes"	""	""
"2566"	"amiodarone"	""	"Synthetic organic"	"yes"	""	""	""	"135649937"	"2157"	""	""	"CHEMBL633"	""	""	""	""	"(2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodophenyl]methanone"	"amiodarone"	"amiodarone hydrochloride|Cordarone&reg;"	"CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2"	"IYIKLHRQXLHMJQ-UHFFFAOYSA-N"	"InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3"	""	""	""
"9319"	"amiselimod"	""	"Synthetic organic"	""	""	""	""	"318164838"	"16129483"	""	""	""	""	""	""	""	"2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol"	"amiselimod"	"Example 1 [US20090137530]|MT-1303|MT1303"	"CCCCCCCOc1ccc(cc1C(F)(F)F)CCC(CO)(CO)N"	"JVCPIJKPAKAIIP-UHFFFAOYSA-N"	"InChI=1S/C19H30F3NO3/c1-2-3-4-5-6-11-26-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-25/h7-8,12,24-25H,2-6,9-11,13-14,23H2,1H3"	"yes"	""	""
"9491"	"amiselimod phosphate"	""	"Synthetic organic"	""	""	""	""	"329968431"	"57704582"	""	""	""	""	""	""	""	"[(2R)-2-amino-4-[4-heptoxy-3-(trifluoromethyl)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate"	""	"amiselimod-P|MT-1303-P"	"CCCCCCCOc1ccc(cc1C(F)(F)F)CC[C@](COP(=O)(O)O)(CO)N"	"OFRUGVQKZMGHHH-GOSISDBHSA-N"	"InChI=1S/C19H31F3NO6P/c1-2-3-4-5-6-11-28-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-29-30(25,26)27/h7-8,12,24H,2-6,9-11,13-14,23H2,1H3,(H2,25,26,27)/t18-/m1/s1"	"yes"	""	""
"963"	"amisulpride"	""	"Synthetic organic"	"yes"	""	""	""	"135649938"	"2159"	""	""	"CHEMBL243712"	""	""	""	""	"4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide"	"amisulpride"	"(&plusmn;)-amisulpride|Barhemsys&reg;"	"CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC"	"NTJOBXMMWNYJFB-UHFFFAOYSA-N"	"InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)"	""	""	""
"200"	"amitriptyline"	""	"Synthetic organic"	"yes"	""	""	""	"135649939"	"2160"	""	""	"CHEMBL629"	""	""	""	""	"dimethyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene]propyl})amine"	"amitriptyline"	"amitryptiline|Elavil&reg;|Endep&reg;"	"CN(CCC=C1c2ccccc2CCc2c1cccc2)C"	"KRMDCWKBEZIMAB-UHFFFAOYSA-N"	"InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3"	""	""	""
"10505"	"amivantamab"	""	"Antibody"	"yes"	""	""	""	"387065587"	"0"	""	""	""	""	""	""	""	""	"amivantamab"	"amivantamab-vmjw|JNJ-61186372|JNJ-6372|JNJ61186372|Rybrevant&reg;"	""	""	""	""	""	""
"7113"	"amlexanox"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103690"	"2161"	""	""	"CHEMBL1096"	""	""	""	""	"2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno[2,3-b]pyridine-3-carboxylic acid"	"amlexanox"	"AA-673|Amlexanox&reg;|Aphthasol&reg;|CHX-3673"	"CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C"	"SGRYPYWGNKJSDL-UHFFFAOYSA-N"	"InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)"	"yes"	""	""
"6981"	"amlodipine"	""	"Synthetic organic"	"yes"	""	""	""	"178103560"	"2162"	""	""	"CHEMBL1491"	""	""	""	""	"O3-ethyl O5-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate"	"amlodipine"	"amlodipine besylate|amlodipine maleate|Copalia&reg; (amlodipine + valsartan)|Katerzia&reg (amlodipine oral suspension, 1 mg/mL)|Norvasc&reg;|UK-4834011"	"NCCOCC1=C(C(=O)OCC)C(C(=C(N1)C)C(=O)OC)c1ccccc1Cl"	"HTIQEAQVCYTUBX-UHFFFAOYSA-N"	"InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3"	""	""	""
"4509"	"ammonium carbonate"	""	"Synthetic organic"	""	""	""	""	"178101236"	"517111"	""	""	"CHEMBL2105849"	""	""	""	""	"diammonium carbonate"	""	""	"[O-]C(=O)[O-].[NH4+].[NH4+]"	"PRKQVKDSMLBJBJ-UHFFFAOYSA-N"	"InChI=1S/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3"	""	""	""
"3385"	"AMMTC"	""	"Synthetic organic"	""	""	""	""	"178100402"	"5311004"	""	""	"CHEMBL53824"	""	""	""	""	"N-[(6-methoxy-9-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methyl]acetamide"	""	""	"COc1ccc2c(c1)c1C(CCCc1n2C)CNC(=O)C"	"CYOQJCSHEFAKNY-UHFFFAOYSA-N"	"InChI=1S/C17H22N2O2/c1-11(20)18-10-12-5-4-6-16-17(12)14-9-13(21-3)7-8-15(14)19(16)2/h7-9,12H,4-6,10H2,1-3H3,(H,18,20)"	""	""	""
"1441"	"AMN082"	""	"Synthetic organic"	""	""	""	""	"135649940"	"1894361"	""	""	"CHEMBL1387826"	""	""	""	""	"N,N'-bis[di(phenyl)methyl]ethane-1,2-diamine"	""	"AMN 082|AMN-082"	"C(NC(c1ccccc1)c1ccccc1)CNC(c1ccccc1)c1ccccc1"	"DTZDSNQYNPNCPK-UHFFFAOYSA-N"	"InChI=1S/C28H28N2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-30H,21-22H2"	""	""	""
"10018"	"amodiaquine"	""	"Synthetic organic"	"yes"	""	""	""	"375973208"	"2165"	""	""	"CHEMBL682"	""	""	""	""	"4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol"	"amodiaquine"	"Alphaquine&reg;|Amdaquine&reg;|Amoquin&reg;|Camoquin&reg;|Flavoquine&reg;"	"CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC"	"OVCDSSHSILBFBN-UHFFFAOYSA-N"	"InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)"	""	"yes"	""
"14013"	"amorolfine"	""	"Synthetic organic"	"yes"	""	""	""	"518520640"	"54260"	""	""	"CHEMBL489411"	""	""	""	""	"(2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine"	""	"Curanail&reg;|Loceryl&reg;"	"CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2C[C@H](O[C@H](C2)C)C"	"MQHLMHIZUIDKOO-AYHJJNSGSA-N"	"InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3/t16?,17-,18+"	""	""	""
"201"	"amoxapine"	""	"Synthetic organic"	"yes"	""	""	""	"135649941"	"2170"	""	""	"CHEMBL1113"	""	""	""	""	"8-chloro-6-piperazin-1-ylbenzo[b][1,5]benzoxazepine"	"amoxapine"	"amoxipine|Asendin&reg;"	"Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1"	"QWGDMFLQWFTERH-UHFFFAOYSA-N"	"InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2"	""	""	""
"10895"	"amoxicillin"	""	"Synthetic organic"	"yes"	""	""	""	"405560336"	"33613"	""	""	"CHEMBL1082"	""	""	""	""	"(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"amoxicillin"	"Amoxil&reg;|BRL-2333|co-amoxiclav (amoxicillin + clavulanic acid)|Moxatag&reg;|NSC-277174|Trimox&reg;"	"O=C([C@@H](C1=CC=C(C=C1)O)N)N[C@@H]2C(=O)N3[C@@H]2SC([C@@H]3C(=O)O)(C)C"	"LSQZJLSUYDQPKJ-NJBDSQKTSA-N"	"InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1"	""	""	"yes"
"4131"	"AMPA"	""	"Synthetic organic"	""	""	""	""	"178100953"	"1221"	""	""	"CHEMBL13378"	""	""	""	""	"2-amino-3-(5-methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)propanoic acid"	""	""	"OC(=O)C(Cc1c(C)o[nH]c1=O)N"	"UUDAMDVQRQNNHZ-UHFFFAOYSA-N"	"InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)"	""	""	""
"4804"	"amphetamine"	""	"Synthetic organic"	"yes"	""	""	""	"178101506"	"3007"	""	""	"CHEMBL405"	""	""	""	""	"1-phenylpropan-2-amine"	"amfetamine"	"(&plusmn;)-amphetamine|Amphetamine Sulfate&reg;|DL-amphetamine"	"CC(Cc1ccccc1)N"	"KWTSXDURSIMDCE-UHFFFAOYSA-N"	"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3"	""	""	""
"4864"	"amphiregulin"	"Human"	"Peptide"	""	""	""	""	"178101565"	"0"	"P15514"	"ENSG00000109321"	""	""	""	""	""	""	""	"colorectal cell-derived growth factor (CRDGF)"	""	""	""	"yes"	""	""
"13516"	"amphomycin"	""	"Natural product"	""	""	""	""	"500839926"	"91663250"	""	""	""	""	""	""	""	"(2R,3S)-4-[[(2S)-1-[[2-[[(2S)-1-[[2-[[(2R,3S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-[(3S,9aR)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-3-yl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[[(2S)-3-carboxy-2-[[(E)-10-methyldodec-3-enoyl]amino]propanoyl]amino]-2-methyl-4-oxobutanoic acid"	""	"glumamycin"	"CCC(C)CCCCC/C=C/CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)C(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H]([C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)[C@H]2C(=O)N3CCCC[C@@H]3C(=O)N2"	"XBNDESPXQUOOBQ-LSMLZNGOSA-N"	"InChI=1S/C58H91N13O20/c1-8-30(4)18-13-11-9-10-12-14-21-39(72)63-36(26-44(79)80)51(83)68-46(31(5)58(90)91)54(86)65-35(25-43(77)78)50(82)60-27-40(73)64-34(24-42(75)76)49(81)61-28-41(74)66-47(32(6)59)55(87)67-45(29(2)3)56(88)71-23-17-20-38(71)52(84)62-33(7)48-57(89)70-22-16-15-19-37(70)53(85)69-48/h12,14,29-38,45-48H,8-11,13,15-28,59H2,1-7H3,(H,60,82)(H,61,81)(H,62,84)(H,63,72)(H,64,73)(H,65,86)(H,66,74)(H,67,87)(H,68,83)(H,69,85)(H,75,76)(H,77,78)(H,79,80)(H,90,91)/b14-12+/t30?,31-,32+,33+,34+,35+,36+,37-,38+,45+,46+,47-,48+/m1/s1"	""	""	"yes"
"10896"	"ampicillin"	""	"Synthetic organic"	"yes"	""	""	""	"405560337"	"6249"	""	""	"CHEMBL174"	""	""	""	""	"(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"ampicillin"	"aminobenzylpenicillin|KS-R1|Penbritin&reg;|Polycillin|Principen&reg;"	"N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C"	"AVKUERGKIZMTKX-NJBDSQKTSA-N"	"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1"	""	""	"yes"
"2456"	"AMP-PNP"	""	"Synthetic organic"	""	""	""	""	"135651437"	"33113"	""	""	"CHEMBL1230989"	""	""	""	""	"[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]phosphonic acid"	""	""	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(NP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N"	"PVKSNHVPLWYQGJ-KQYNXXCUSA-N"	"InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1"	""	""	""
"12681"	"amprenavir"	""	"Synthetic organic"	"yes"	"yes"	""	""	"483123229"	"65016"	""	""	"CHEMBL116"	""	""	""	""	"[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate"	"amprenavir"	"Agenerase&reg;|AMV|Prozei&reg;|VX-478|VX478"	"CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N"	"YMARZQAQMVYCKC-OEMFJLHTSA-N"	"InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1"	""	""	""
"14489"	"AMPTX1"	""	"Synthetic organic"	""	""	""	""	"528429810"	"177678367"	""	""	""	""	""	""	""	"(E)-2-[5-[[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-4,7-diazaspiro[2.5]octan-4-yl]methyl]-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4,4-dimethylpent-2-enenitrile"	""	"AMPTX-1"	"COC1=CC(=CC(OC)=C1CN2CCN(CC3=CC=CC4=C3CCN(C4C)C(=O)\C(=C\C(C)(C)C)\C#N)C5(CC5)C2)C6=CN(C)C(=O)C(C)=C6C"	"QJGDIJTXDZFNTJ-RUMWWMSVSA-N"	"InChI=1S/C42H53N5O4/c1-27-28(2)39(48)44(7)24-35(27)31-19-37(50-8)36(38(20-31)51-9)25-45-17-18-46(42(26-45)14-15-42)23-30-11-10-12-33-29(3)47(16-13-34(30)33)40(49)32(22-43)21-41(4,5)6/h10-12,19-21,24,29H,13-18,23,25-26H2,1-9H3/b32-21+"	""	""	""
"11866"	"amredobresib"	""	"Synthetic organic"	""	""	""	""	"461663422"	"76072013"	""	""	"CHEMBL3919831"	""	""	""	""	""	"amredobresib"	"example III-13 [US9266891B2]"	"C(c1ccccc1)n1c(nc2c1cc(cc2)N1CCN(CC1)C)c1nc(c2n(c1)c(nn2)C)NC"	"JLUUVUUYIXBDCG-UHFFFAOYSA-N"	"InChI=1S/C26H29N9/c1-18-30-31-26-24(27-2)28-22(17-34(18)26)25-29-21-10-9-20(33-13-11-32(3)12-14-33)15-23(21)35(25)16-19-7-5-4-6-8-19/h4-10,15,17H,11-14,16H2,1-3H3,(H,27,28)"	""	""	""
"11645"	"AMT-101"	""	"Peptide"	""	""	""	""	"442878671"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4132"	"AMTB"	""	"Synthetic organic"	""	""	""	""	"178100954"	"16095384"	""	""	"CHEMBL1289953"	""	""	""	""	"N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-(thiophen-2-ylmethyl)benzamide"	""	""	"NCCCN(C(=O)c1ccccc1OCc1cccc(c1)C)Cc1cccs1"	"LCQJRANJHOEQFG-UHFFFAOYSA-N"	"InChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3"	""	""	""
"4025"	"amthamine"	""	"Synthetic organic"	""	""	""	""	"178100851"	"126688"	""	""	"CHEMBL293762"	""	""	""	""	"5-(2-aminoethyl)-4-methyl-1,3-thiazol-2-amine"	""	""	"NCCc1sc(nc1C)N"	"LHVRFUVVRXGZPV-UHFFFAOYSA-N"	"InChI=1S/C6H11N3S/c1-4-5(2-3-7)10-6(8)9-4/h2-3,7H2,1H3,(H2,8,9)"	""	""	""
"7932"	"amuvatinib"	""	"Synthetic organic"	""	""	""	""	"249565615"	"11282283"	""	""	"CHEMBL2103851"	""	""	""	""	"N-(1,3-benzodioxol-5-ylmethyl)-4-([1]benzoxolo[2,3-e]pyrimidin-4-yl)piperazine-1-carbothioamide"	"amuvatinib"	"MP 470|MP-470|MP470"	"S=C(N1CCN(CC1)c1ncnc2c1oc1c2cccc1)NCc1ccc2c(c1)OCO2"	"FOFDIMHVKGYHRU-UHFFFAOYSA-N"	"InChI=1S/C23H21N5O3S/c32-23(24-12-15-5-6-18-19(11-15)30-14-29-18)28-9-7-27(8-10-28)22-21-20(25-13-26-22)16-3-1-2-4-17(16)31-21/h1-6,11,13H,7-10,12,14H2,(H,24,32)"	""	""	""
"14488"	"AMX-883"	""	"Synthetic organic"	""	""	""	""	"528429809"	"178342672"	""	""	""	""	""	""	""	"(2E)-2-[(E)-(1R)-5-[(7-{[2,6-dimethoxy-4-(3,5,6-trimethyl-4-oxocyclohexa-1,5-dien-1-yl)phenyl]methyl}-4,7-diazaspiro[2.5]octan-4-yl)methyl]-7-methoxy-1-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-5-fluoro-4,4-dimethylpent-2-enenitrile"	""	"AMX883"	"COC1=CC2=C(CCN([C@@H]2C(C)C)C(=O)\C(=C\C(C)(C)CF)\C#N)C(CN3CCN(CC4=C(OC)C=C(C=C4OC)C5=CC(C)C(=O)C(C)=C5C)CC36CC6)=C1"	"SHEVQYBIVIKOPV-CUWJCDLUSA-N"	"InChI=1S/C46H59FN4O5/c1-28(2)42-38-21-35(54-8)18-33(36(38)11-14-51(42)44(53)34(23-48)22-45(6,7)26-47)24-50-16-15-49(27-46(50)12-13-46)25-39-40(55-9)19-32(20-41(39)56-10)37-17-29(3)43(52)31(5)30(37)4/h17-22,28-29,42H,11-16,24-27H2,1-10H3/b34-22+/t29?,42-/m1/s1"	""	""	""
"11986"	"AMY-101"	""	"Peptide"	""	""	""	""	"464244127"	"131634231"	""	""	"CHEMBL4297260"	""	""	""	""	""	""	"AMY101|Compstatin 40|Compstatin analog CP40|CP-40|peptide 14 [PMID: 22795972]"	"CC[C@H](C)[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)Cc1cn(c2ccccc12)C)CCC(=O)N)CC(=O)O)Cc1c[nH]c2ccccc12)C)C)Cc1cnc[nH]1)CCCNC(=N)N)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)O)N"	"MUSGYEMSJUFFHT-UWABRSFTSA-N"	"InChI=1S/C83H117N23O18S2/c1-11-43(5)68(103-72(114)53(84)30-46-23-25-50(107)26-24-46)80(122)100-61-39-125-126-40-62(82(124)106(10)69(70(86)112)44(6)12-2)101-73(115)55(21-17-29-90-83(87)88)94-76(118)58(33-49-36-89-41-92-49)96-71(113)45(7)93-65(109)38-105(9)81(123)60(31-47-35-91-54-20-15-13-18-51(47)54)99-77(119)59(34-66(110)111)97-74(116)56(27-28-64(85)108)95-75(117)57(98-79(121)67(42(3)4)102-78(61)120)32-48-37-104(8)63-22-16-14-19-52(48)63/h13-16,18-20,22-26,35-37,41-45,53,55-62,67-69,91,107H,11-12,17,21,27-34,38-40,84H2,1-10H3,(H2,85,108)(H2,86,112)(H,89,92)(H,93,109)(H,94,118)(H,95,117)(H,96,113)(H,97,116)(H,98,121)(H,99,119)(H,100,122)(H,101,115)(H,102,120)(H,103,114)(H,110,111)(H4,87,88,90)/t43-,44-,45-,53+,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-,69-/m0/s1"	""	""	""
"12789"	"AMY109"	""	"Antibody"	""	""	""	""	"483123337"	"0"	""	""	""	""	""	""	""	""	""	"AMY-109|H1009/L395-F1974m"	""	""	""	"yes"	""	""
"687"	"amylin"	"Human"	"Peptide"	""	""	""	""	"135651612"	"0"	"P10997"	"ENSG00000121351"	""	""	""	""	""	""	""	"AMY"	""	""	""	""	""	""
"688"	"amylin"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651613"	"0"	"P12969|P12968"	"ENSMUSG00000041681"	""	""	""	""	""	""	""	"AMY"	""	""	""	""	""	""
"4865"	"amyloid &beta;"	"Human"	"Peptide"	""	""	""	""	"178101566"	"0"	"P05067"	"ENSG00000142192"	""	""	""	""	""	""	""	"amyloid &beta;-peptide|beta-amyloid protein"	""	""	""	""	""	""
"13243"	"amyloid &beta;<sub>1-16</sub>"	""	"Peptide"	""	""	""	""	"491300025"	"0"	""	""	""	""	""	""	""	""	""	"A&beta;(1-16)|N-A&beta;"	""	""	""	""	""	""
"10983"	"AN0128"	""	"Synthetic organic"	""	""	""	""	"405560424"	"11704019"	""	""	"CHEMBL219629"	""	""	""	""	"bis(3-chloro-4-methylphenyl)boranyl 3-hydroxypyridine-2-carboxylate"	""	"AN 0128|AN-0128|compound 2g [PMID: 16997550]"	"O=C(c1ncccc1O)OB(c1ccc(c(c1)Cl)C)c1ccc(c(c1)Cl)C"	"ZTLSOLUCMQEGEA-UHFFFAOYSA-N"	"InChI=1S/C20H16BCl2NO3/c1-12-5-7-14(10-16(12)22)21(15-8-6-13(2)17(23)11-15)27-20(26)19-18(25)4-3-9-24-19/h3-11,25H,1-2H3"	""	""	"yes"
"10085"	"AN13762"	""	"Synthetic organic"	""	""	""	""	"381118795"	"132585226"	""	""	"CHEMBL4072916"	""	""	""	""	"1-{5-[(1-hydroxy-7-methyl-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]pyrazine-2-carbonyl}-3-methylazetidin-3-ol"	""	"AN762"	"O=C(c1cnc(cn1)Oc1ccc2c(c1C)B(O)OC2)N1CC(C1)(C)O"	"VNWPYEKDGLKRAV-UHFFFAOYSA-N"	"InChI=1S/C17H18BN3O5/c1-10-13(4-3-11-7-25-18(24)15(10)11)26-14-6-19-12(5-20-14)16(22)21-8-17(2,23)9-21/h3-6,23-24H,7-9H2,1-2H3"	""	"yes"	""
"10084"	"AN3661"	""	"Synthetic organic"	""	""	""	""	"381118794"	"50898347"	""	""	"CHEMBL1643740"	""	""	""	""	"3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)propanoic acid"	""	""	"OC(=O)CCc1cccc2c1B(O)OC2"	"CEVOKIPNIZQANN-UHFFFAOYSA-N"	"InChI=1S/C10H11BO4/c12-9(13)5-4-7-2-1-3-8-6-15-11(14)10(7)8/h1-3,14H,4-6H2,(H,12,13)"	""	"yes"	""
"6999"	"anacardic acid"	""	"Natural product"	""	""	""	""	"178103578"	"5388781"	""	""	"CHEMBL464925"	""	""	""	""	"2-hydroxy-6-[(8E,11E)-pentadeca-8,11,14-trien-1-yl]benzoic acid"	""	""	"C=CC/C=C/C/C=C/CCCCCCCc1cccc(c1C(=O)O)O"	"QUVGEKPNSCFQIR-AOSYACOCSA-N"	"InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4+,8-7+"	""	""	""
"8400"	"anacetrapib"	""	"Synthetic organic"	""	""	""	""	"252166610"	"11556427"	""	""	"CHEMBL1800807"	""	""	""	""	"(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one"	"anacetrapib"	"MK-0859"	"COc1cc(F)c(cc1c1ccc(cc1CN1C(=O)O[C@@H]([C@@H]1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C"	"MZZLGJHLQGUVPN-HAWMADMCSA-N"	"InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1"	""	""	""
"11582"	"anagliptin"	""	"Synthetic organic"	"yes"	""	""	""	"441604954"	"44513473"	""	""	"CHEMBL1929396"	""	""	""	""	""	"anagliptin"	"compound 4a [PMID: 22019046]|CWP-403|SK-0403|SK0403|Suiny&reg;"	"N#C[C@@H]1CCCN1C(=O)CNC(CNC(=O)c1cnc2n(c1)nc(c2)C)(C)C"	"LDXYBEHACFJIEL-HNNXBMFYSA-N"	"InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1"	""	""	""
"7114"	"anagrelide"	""	"Synthetic organic"	"yes"	""	""	""	"178103691"	"135409400"	""	""	"CHEMBL760"	""	""	""	""	"6,7-dichloro-3H,5H-imidazo[2,1-b]quinazolin-2-ol"	"anagrelide"	"Agrylin&reg;|BL-4162a|Xagrid&reg;"	"OC1=NC2=Nc3c(CN2C1)c(Cl)c(cc3)Cl"	"OTBXOEAOVRKTNQ-UHFFFAOYSA-N"	"InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)"	""	""	""
"6972"	"anakinra"	""	"Peptide"	"yes"	""	""	""	"178103551"	"0"	""	""	"CHEMBL1201570"	""	""	""	""	""	"anakinra"	"antril|Kineret&reg;"	""	""	""	"yes"	""	""
"11567"	"analog 18 [PMID: 28696697]"	""	"Synthetic organic"	""	""	""	""	"441604939"	"90381790"	""	""	"CHEMBL4086345"	""	""	""	""	"(2S)-2-[[(2R)-2-(hexanoylamino)-3-methylbutanoyl]amino]-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]hexanamide"	""	""	"CCCC[C@@H](C(=O)N[C@H](C(=O)[C@]1(C)OC1)CC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)CCCCC"	"XAZZJHQEPVCAEX-RRTYAWIHSA-N"	"InChI=1S/C26H47N3O5/c1-8-10-12-14-21(30)29-22(18(5)6)25(33)27-19(13-11-9-2)24(32)28-20(15-17(3)4)23(31)26(7)16-34-26/h17-20,22H,8-16H2,1-7H3,(H,27,33)(H,28,32)(H,29,30)/t19-,20-,22+,26+/m0/s1"	""	"yes"	""
"5647"	"analog 30 [PMID:18543899]"	""	"Peptide"	""	""	""	""	"178102275"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5648"	"analog 31 [PMID:18543899]"	""	"Peptide"	""	""	""	""	"178102276"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7763"	"analog 32 [PMID:18543899]"	""	"Peptide"	""	""	""	""	"223366096"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5646"	"analog 3 [PMID:18543899]"	""	"Peptide"	""	""	""	""	"178102274"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7994"	"analog 3 [Vlattas <i>et al.</i>, 1996]"	""	"Synthetic organic"	""	""	""	""	"249565674"	"44306132"	""	""	"CHEMBL1160330"	""	""	""	""	"2-[2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl-methylamino]acetic acid"	""	""	"CN(CC(=O)O)CCOP(=O)(OP(=O)(O)O)O"	"YERUUUBBRAPJND-UHFFFAOYSA-N"	"InChI=1S/C5H13NO9P2/c1-6(4-5(7)8)2-3-14-17(12,13)15-16(9,10)11/h2-4H2,1H3,(H,7,8)(H,12,13)(H2,9,10,11)"	""	""	""
"11918"	"analogue 13: B7-24"	""	"Peptide"	""	""	""	""	"461663473"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14127"	"anamorelin"	""	"Synthetic organic"	"yes"	""	""	""	"518520754"	"9828911"	""	""	"CHEMBL2110579"	""	""	""	""	"2-amino-N-[(2R)-1-[(3R)-3-benzyl-3-[dimethylamino(methyl)carbamoyl]piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide"	"anamorelin"	"ONO-7643|RC-1291"	"CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC[C@](C3)(CC4=CC=CC=C4)C(=O)N(C)N(C)C)N"	"VQPFSIRUEPQQPP-MXBOTTGLSA-N"	"InChI=1S/C31H42N6O3/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22/h6-10,12-15,20,26,33H,11,16-19,21,32H2,1-5H3,(H,34,39)/t26-,31-/m1/s1"	""	""	""
"2364"	"anandamide"	""	"Metabolite"	""	""	""	""	"135651438"	"5281969"	""	""	"CHEMBL15848"	""	""	""	""	"(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide"	""	"AEA|arachidonoyl ethanolamide|N-arachidonoylethanolamine"	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO"	"LGEQQWMQCRIYKG-DOFZRALJSA-N"	"InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-"	""	""	""
"4866"	"anantin"	""	"Peptide"	""	""	""	""	"178101567"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14291"	"ANASIA-124-1"	""	"Synthetic organic"	""	""	""	""	"521588931"	"156530775"	""	""	""	""	""	""	""	"(2S)-2-amino-N-[amino-(4-chlorothiophen-2-yl)-oxo-λ<sup>6</sup>-sulfanylidene]-4-methylpentanamide"	""	""	"CC(C)C[C@@H](C(=O)N=S(=O)(C1=CC(=CS1)Cl)N)N"	"CPSZRVFKBBTTCF-RFXRWSEHSA-N"	"InChI=1S/C10H16ClN3O2S2/c1-6(2)3-8(12)10(15)14-18(13,16)9-4-7(11)5-17-9/h4-6,8H,3,12H2,1-2H3,(H2,13,14,15,16)/t8-,18?/m0/s1"	""	""	"yes"
"5137"	"anastrozole"	""	"Synthetic organic"	"yes"	""	""	""	"178101829"	"2187"	""	""	"CHEMBL1399"	""	""	""	""	"2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile"	"anastrozole"	"Arimidex&reg;"	"N#CC(c1cc(cc(c1)C(C#N)(C)C)Cn1ncnc1)(C)C"	"YBBLVLTVTVSKRW-UHFFFAOYSA-N"	"InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3"	""	""	""
"679"	"anatibant"	""	"Synthetic organic"	""	""	""	""	"135649943"	"9831652"	""	""	"CHEMBL2107725"	""	""	""	""	"(2S)-N-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide"	"anatibant"	"LF 16-0687|LF160687"	"Cc1cc(C)c2c(n1)c(ccc2)OCc1c(Cl)ccc(c1Cl)S(=O)(=O)N1CCC[C@H]1C(=O)NCCCNC(=O)c1ccc(cc1)C(=N)N"	"XUHBBTKJWIBQMY-MHZLTWQESA-N"	"InChI=1S/C34H36Cl2N6O5S/c1-20-18-21(2)41-31-24(20)6-3-8-28(31)47-19-25-26(35)13-14-29(30(25)36)48(45,46)42-17-4-7-27(42)34(44)40-16-5-15-39-33(43)23-11-9-22(10-12-23)32(37)38/h3,6,8-14,18,27H,4-5,7,15-17,19H2,1-2H3,(H3,37,38)(H,39,43)(H,40,44)/t27-/m0/s1"	""	""	""
"9947"	"anatumomab mafenatox"	""	"Antibody"	""	""	""	""	"374883834"	"0"	""	""	"CHEMBL2108248"	""	""	""	""	""	"anatumomab mafenatox"	"5T4FabV13SEA<sub>D227A</sub>|ABR 214936|ABR-214936|ABR214936|pMB125|PNU 214936|PNU-214936|PNU214936|TTS-CD2"	""	""	""	"yes"	""	""
"13166"	"ANAVEX 3-71"	""	"Synthetic organic"	""	""	""	""	"491299948"	"46846427"	""	""	""	""	""	""	""	"1-[(2S)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one"	""	"AF710B"	"C[C@@H]1SC2(CN1C(=O)CCC3=CNC4=C3C=CC=C4)CCN(C)CC2"	"XWMHYQATSBWUNT-HNNXBMFYSA-N"	"InChI=1S/C20H27N3OS/c1-15-23(14-20(25-15)9-11-22(2)12-10-20)19(24)8-7-16-13-21-18-6-4-3-5-17(16)18/h3-6,13,15,21H,7-12,14H2,1-2H3/t15-/m0/s1"	""	""	""
"13161"	"ancremonam"	""	"Synthetic organic"	""	""	""	""	"491299943"	"118379834"	""	""	"CHEMBL4206129"	""	""	""	""	"1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-[[(3S,4R)-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-1-sulfoazetidin-3-yl]amino]ethylidene]amino]oxycyclopropane-1-carboxylic acid"	"ancremonam"	"BOS-228|LYS228"	"C1CC1(C(=O)O)O/N=C(/C2=CSC(=N2)N)\C(=O)N[C@H]3[C@H](N(C3=O)S(=O)(=O)O)CN4CCOC4=O"	"FWTGYTRQUBRVDW-NRABZWKMSA-N"	"InChI=1S/C16H18N6O10S2/c17-14-18-7(6-33-14)9(20-32-16(1-2-16)13(25)26)11(23)19-10-8(5-21-3-4-31-15(21)27)22(12(10)24)34(28,29)30/h6,8,10H,1-5H2,(H2,17,18)(H,19,23)(H,25,26)(H,28,29,30)/b20-9-/t8-,10+/m1/s1"	""	""	"yes"
"804"	"ancriviroc"	""	"Synthetic organic"	""	""	""	""	"135649944"	"9574343"	""	""	"CHEMBL78535"	""	""	""	""	"[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone"	"ancriviroc"	"SCH 351125|SCH-351125|SCH-C"	"CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-]"	"ZGDKVKUWTCGYOA-URGPHPNLSA-N"	"InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3/b30-26+"	"yes"	""	""
"13732"	"andamertinib"	""	"Synthetic organic"	"yes"	""	""	""	"507750366"	"146498390"	""	""	""	""	""	""	""	"N-[4-methoxy-2-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide"	"andamertinib"	"compound 206 [WO2018228446A1]|PLB-1004|PLB1004"	"COC1=CC(=C(C=C1NC2=NC=NC(=C2)C=3C=C4C=NN(C4=CC3)C)NC(C=C)=O)N5CCC(CC5)N6CC(C6)OC"	"KKPCZGCBAIJCOU-UHFFFAOYSA-N"	"InChI=1S/C31H36N8O3/c1-5-31(40)36-25-13-26(29(42-4)15-28(25)38-10-8-22(9-11-38)39-17-23(18-39)41-3)35-30-14-24(32-19-33-30)20-6-7-27-21(12-20)16-34-37(27)2/h5-7,12-16,19,22-23H,1,8-11,17-18H2,2-4H3,(H,36,40)(H,32,33,35)"	""	""	""
"7849"	"andarine"	""	"Synthetic organic"	""	""	""	""	"223366179"	"9824562"	""	""	"CHEMBL125236"	""	""	""	""	"(2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide"	""	"GTX-007|GTX007"	"CC(=O)Nc1ccc(cc1)OC[C@@](C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(O)C"	"YVXVTLGIDOACBJ-SFHVURJKSA-N"	"InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1"	""	""	""
"9510"	"andecaliximab"	""	"Antibody"	""	""	""	""	"329968449"	"0"	""	""	""	""	""	""	""	""	"andecaliximab"	"GS-5745|GS5745"	""	""	""	"yes"	""	""
"7576"	"andexanet alfa"	""	"Peptide"	"yes"	""	""	""	"223365912"	"0"	""	""	""	""	""	""	""	""	"andexanet alfa"	"Andexxa&reg;|coagulation factor Xa (recombinant), inactivated-zhzo|Ondexxya&reg;|PRT064445|PRT4445|r-antidote"	""	""	""	""	""	""
"9675"	"andrographolide"	""	"Synthetic organic"	""	""	""	""	"348353634"	"5318517"	""	""	""	""	""	""	""	"(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one"	""	""	"OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2C/C=C/1\[C@H](O)COC1=O)C"	"BOJKULTULYSRAS-OTESTREVSA-N"	"InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1"	"yes"	""	""
"2760"	"androstanol"	""	"Synthetic organic"	""	""	""	""	"135649945"	"449196"	""	""	"CHEMBL2311171"	""	""	""	""	"(3R,5S,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol"	""	"5&alpha;-androstan-3&alpha;-ol"	"O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2)C)C"	"DJTOLSNIKJIDFF-PHFHYRSDSA-N"	"InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1"	""	""	""
"2860"	"androstenedione"	""	"Metabolite"	""	""	""	""	"135649946"	"6128"	""	""	"CHEMBL274826"	""	""	""	""	"(8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione"	""	"androst-4-ene-3,17-dione"	"O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C"	"AEMFNILZOJDQLW-QAGGRKNESA-N"	"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1"	""	""	""
"2761"	"androstenol"	""	"Metabolite"	""	""	""	""	"135651439"	"101989"	""	""	"CHEMBL142348"	""	""	""	""	"(3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"	""	"androst-16-en-3-ol"	"O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2)C)C"	"KRVXMNNRSSQZJP-PHFHYRSDSA-N"	"InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1"	""	""	""
"4867"	"angiopoietin-1"	"Human"	"Peptide"	""	""	""	""	"178101568"	"0"	"Q15389"	"ENSG00000154188"	""	""	""	""	""	""	""	"ANG-1"	""	""	""	""	""	""
"5316"	"angiopoietin-2"	"Human"	"Peptide"	""	""	""	""	"53801019"	"0"	"O15123"	"ENSG00000091879"	""	""	""	""	""	""	""	"ANG-2"	""	""	""	""	""	""
"4868"	"angiopoietin-4"	"Human"	"Peptide"	""	""	""	""	"178101569"	"0"	"Q9Y264"	"ENSG00000101280"	""	""	""	""	""	""	""	"ANG-4"	""	""	""	""	""	""
"8716"	"angiopoietin-like 3"	"Human"	"Peptide"	""	""	""	""	"252827374"	"0"	"Q9Y5C1"	"ENSG00000132855"	""	""	""	""	""	""	""	"ANGPTL3"	""	""	""	""	""	""
"5317"	"angiopoietin protein-like 1"	"Human"	"Peptide"	""	""	""	""	"53801017"	"0"	"O95841"	"ENSG00000116194"	""	""	""	""	""	""	""	"ANG-3|angiopoietin 3|angiopoietin-like protein 1"	""	""	""	""	""	""
"5321"	"angiopoietin-related protein 7"	"Human"	"Peptide"	""	""	""	""	"53801011"	"0"	"O43827"	"ENSG00000171819"	""	""	""	""	""	""	""	"angiopoietin-like factor|angiopoietin-like protein 7|ANGPTL7|AngX|CDT6|cornea-derived transcript 6 protein"	""	""	""	""	""	""
"582"	"angiotensin-(1-7)"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651614"	"123805"	"P01015|P11859|P01019"	"ENSG00000135744|ENSRNOG00000018445"	""	""	""	""	""	"(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid"	""	"ang 1-7|angiotensin 1-7|TXA-127|TXA127"	"CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1[nH]cnc1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CCCN=C(N)N)Cc1ccc(cc1)O)C"	"PVHLMTREZMEJCG-GDTLVBQBSA-N"	"InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1"	""	""	""
"5138"	"angiotensin-(1-9)"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"178101830"	"71745056"	"P01019"	"ENSG00000135744"	""	""	""	""	""	""	""	"ang 1-9|angiotensin 1-9"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O"	"LJXGOQOPNPFXFT-JWRYNVNRSA-N"	"InChI=1S/C56H78N16O13/c1-5-31(4)46(71-50(79)40(22-33-15-17-36(73)18-16-33)67-52(81)45(30(2)3)70-48(77)38(13-9-19-62-56(58)59)65-47(76)37(57)25-44(74)75)53(82)68-41(23-34-26-60-28-63-34)54(83)72-20-10-14-43(72)51(80)66-39(21-32-11-7-6-8-12-32)49(78)69-42(55(84)85)24-35-27-61-29-64-35/h6-8,11-12,15-18,26-31,37-43,45-46,73H,5,9-10,13-14,19-25,57H2,1-4H3,(H,60,63)(H,61,64)(H,65,76)(H,66,80)(H,67,81)(H,68,82)(H,69,78)(H,70,77)(H,71,79)(H,74,75)(H,84,85)(H4,58,59,62)/t31-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1"	""	""	""
"6894"	"angiotensin A"	"Human"	"Peptide"	""	""	""	""	"178103476"	"91691124"	"P01019"	"ENSG00000135744"	""	""	""	""	""	""	""	"ang A"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"	"CHCOFDZSJYMQMX-NOQNJSOHSA-N"	"InChI=1S/C49H71N13O10/c1-6-28(4)40(46(69)58-36(24-32-25-53-26-55-32)47(70)62-21-11-15-38(62)44(67)59-37(48(71)72)23-30-12-8-7-9-13-30)61-43(66)35(22-31-16-18-33(63)19-17-31)57-45(68)39(27(2)3)60-42(65)34(56-41(64)29(5)50)14-10-20-54-49(51)52/h7-9,12-13,16-19,25-29,34-40,63H,6,10-11,14-15,20-24,50H2,1-5H3,(H,53,55)(H,56,64)(H,57,68)(H,58,69)(H,59,67)(H,60,65)(H,61,66)(H,71,72)(H4,51,52,54)/t28-,29-,34-,35-,36-,37-,38-,39-,40-/m0/s1"	""	""	""
"583"	"angiotensin I"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651615"	"44299732"	"P01015|P11859|P01019"	"ENSG00000135744|ENSMUSG00000031980|ENSRNOG00000018445"	""	""	""	""	""	""	""	"ang I"	"CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)C(C(C(=O)C)CC(C)C)N)Cc1cnc[nH]1)Cc1ccccc1)Cc1cnc[nH]1)NC(=O)C(c1ccc(cc1)O)NCC(C(C)C)NC(=O)C(NC(=O)C(CC(=O)O)N)CCCN=C(N)N)C"	"AZSXKTYFSLKNEF-UHFFFAOYSA-N"	"InChI=1S/C63H93N17O12/c1-8-36(6)53(79-61(91)54(39-18-20-42(82)21-19-39)71-31-49(35(4)5)78-57(87)45(16-12-22-70-63(66)67)74-56(86)44(64)28-51(83)84)60(90)77-48(27-41-30-69-33-73-41)62(92)80-23-13-17-50(80)59(89)76-47(25-38-14-10-9-11-15-38)58(88)75-46(26-40-29-68-32-72-40)55(85)52(65)43(37(7)81)24-34(2)3/h9-11,14-15,18-21,29-30,32-36,43-50,52-54,71,82H,8,12-13,16-17,22-28,31,64-65H2,1-7H3,(H,68,72)(H,69,73)(H,74,86)(H,75,88)(H,76,89)(H,77,90)(H,78,87)(H,79,91)(H,83,84)(H4,66,67,70)"	""	""	""
"2504"	"angiotensin II"	"Human, Mouse, Rat"	"Peptide"	"yes"	""	""	""	"53801076"	"172198"	"P01015|P11859|P01019"	"ENSG00000135744|ENSRNOG00000018445"	"CHEMBL408403"	""	""	""	""	"(3S)-3-amino-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobutanoic acid"	"angiotensin II"	"ang II|Giapreza&reg;"	"CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1nc[nH]c1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CCCN=C(N)N)Cc1ccc(cc1)O)C"	"CZGUSIXMZVURDU-JZXHSEFVSA-N"	"InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1"	""	""	""
"585"	"angiotensin III"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651616"	"44299731"	"P01015|P11859|P01019"	"ENSRNOG00000018445|ENSG00000135744"	"CHEMBL56448"	""	""	""	""	""	""	"ang III"	"NC(=NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1[nH]cnc1)C(C)C)Cc1ccc(cc1)O)C(C)C)NC(=O)[C@H](CC(=O)O)N)N"	"UCRMCWFIVZYPFA-LGXQCQDRSA-N"	"InChI=1S/C40H60N12O11/c1-20(2)31(50-34(57)26(7-5-13-45-40(42)43)47-33(56)25(41)17-30(54)55)36(59)48-27(15-22-9-11-24(53)12-10-22)35(58)51-32(21(3)4)37(60)49-28(16-23-18-44-19-46-23)38(61)52-14-6-8-29(52)39(62)63/h9-12,18-21,25-29,31-32,53H,5-8,13-17,41H2,1-4H3,(H,44,46)(H,47,56)(H,48,59)(H,49,60)(H,50,57)(H,51,58)(H,54,55)(H,62,63)(H4,42,43,45)/t25-,26-,27-,28-,29-,31-,32-/m0/s1"	""	""	""
"5368"	"angiotensin IV"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"178102027"	"123814"	"P11859|P01015|P01019"	"ENSG00000135744|ENSMUSG00000031980|ENSRNOG00000018445"	""	""	""	""	""	""	""	"AT II (3-8)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"	"QSBGWDDCOJYQGY-KOQODJNWSA-N"	"InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1"	""	""	""
"11276"	"Ani9"	""	"Synthetic organic"	""	""	""	""	"434321711"	"773933"	""	""	""	""	""	""	""	"2-(4-chloro-2-methylphenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide"	""	""	"COc1ccccc1C=NNC(=O)COc1ccc(cc1C)Cl"	"KDALDZRKOBJXIE-UHFFFAOYSA-N"	"InChI=1S/C17H17ClN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(21)20-19-10-13-5-3-4-6-16(13)22-2/h3-10H,11H2,1-2H3,(H,20,21)"	""	""	""
"8258"	"anifrolumab"	""	"Antibody"	"yes"	""	""	""	"249565938"	"0"	""	""	""	""	""	""	""	""	"anifrolumab"	"anifrolumab-fnia|MDX-1333|MEDI-546|Saphnelo&reg;"	""	""	""	"yes"	""	""
"7115"	"anileridine"	""	"Synthetic organic"	"yes"	""	""	""	"178103692"	"8944"	""	""	"CHEMBL1201347"	""	""	""	""	"ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate"	"anileridine"	"Leritine&reg;"	"CCOC(=O)C1(CCN(CC1)CCc1ccc(cc1)N)c1ccccc1"	"LKYQLAWMNBFNJT-UHFFFAOYSA-N"	"InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3"	""	""	""
"4133"	"aniracetam"	""	"Synthetic organic"	"yes"	""	""	""	"178100955"	"2196"	""	""	"CHEMBL36994"	""	""	""	""	"1-[(4-methoxyphenyl)carbonyl]pyrrolidin-2-one"	"aniracetam"	""	"COc1ccc(cc1)C(=O)N1CCCC1=O"	"ZXNRTKGTQJPIJK-UHFFFAOYSA-N"	"InChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3"	""	""	""
"6960"	"anisindione"	""	"Synthetic organic"	"yes"	""	""	""	"178103541"	"2197"	""	""	"CHEMBL712"	""	""	""	""	"2-(4-methoxyphenyl)indene-1,3-dione"	"anisindione"	"Miradon&reg;"	"COc1ccc(cc1)C1C(=O)c2c(C1=O)cccc2"	"XRCFXMGQEVUZFC-UHFFFAOYSA-N"	"InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3"	""	""	""
"14704"	"anivamersen"	""	"Nucleic acid"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"anivamersen"	"RB-007|RB007"	""	""	""	""	""	""
"14661"	"anivecrine"	""	"Synthetic organic"	"yes"	""	""	""	"530846909"	"115097"	""	""	"CHEMBL263198"	""	""	""	""	"1,2,3,4,5,6,7,8-octahydroacridin-9-amine"	"anivecrine"	"octaaminoaccridine|octahydroaminoacridine"	"C1CCC2=C(C1)C(=C3CCCCC3=N2)N"	"BMRFESVZYWRROS-UHFFFAOYSA-N"	"InChI=1S/C13H18N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H2,(H2,14,15)"	""	""	""
"12087"	"anizatrectinib"	""	"Synthetic organic"	""	""	""	""	"472319209"	"92135967"	""	""	""	""	""	""	""	""	"anizatrectinib"	"BLN64892|hTrkA-IN-1"	"Fc1cc(ccc1)[C@H]1[C@@H](CN(C1)CCOC)NC(=O)Nc1c(c(nn1c1ccccc1)c1cnc(nc1)C)C"	"BGKSBHPSVMJTFL-IZZNHLLZSA-N"	"InChI=1S/C29H32FN7O2/c1-19-27(22-15-31-20(2)32-16-22)35-37(24-10-5-4-6-11-24)28(19)34-29(38)33-26-18-36(12-13-39-3)17-25(26)21-8-7-9-23(30)14-21/h4-11,14-16,25-26H,12-13,17-18H2,1-3H3,(H2,33,34,38)/t25-,26+/m0/s1"	""	""	""
"13777"	"annexin A3"	"Human"	"Peptide"	""	""	""	""	"507750410"	"0"	"P12429"	"ENSG00000138772"	""	""	""	""	""	""	""	"annexin III|calcimedin 35-alpha|inositol 1,2-cyclic phosphate 2-phosphohydrolase (EC 3.1.4.43)|lipocortin III|placental anticoagulant protein III"	""	""	""	""	""	""
"3568"	"annexin I"	"Mouse"	"Peptide"	""	""	""	""	"135651617"	"0"	"P10107"	"ENSMUSG00000024659"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1031"	"annexin I"	"Human"	"Peptide"	""	""	""	""	"135651619"	"0"	"P04083"	"ENSG00000135046"	""	""	""	""	""	""	""	"annexin 1|annexin A1|ANXA1"	""	""	""	""	""	""
"3569"	"annexin I"	"Rat"	"Peptide"	""	""	""	""	"135651618"	"0"	"P07150"	"ENSRNOG00000017469"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1044"	"annexin I-(2-26)"	"Human"	"Peptide"	""	""	""	""	"135651620"	"0"	"P04083"	"ENSG00000135046"	""	""	""	""	""	""	""	"annexin I, Ac2-26|annexin-derived peptide|ANXA1-derived peptide"	""	""	""	""	""	""
"14014"	"ANP-230"	""	"Synthetic organic"	""	""	""	""	"518520641"	"129080919"	""	""	""	""	""	""	""	"(2S)-2-[[3-cyclobutyl-5-(3,4,5-trifluorophenoxy)imidazo[4,5-b]pyridin-2-yl]methylamino]propanamide"	""	"DSP-2230"	"C[C@H](NCC1=NC2=CC=C(OC3=CC(F)=C(F)C(F)=C3)N=C2N1C4CCC4)C(N)=O"	"HHXCJIMPEJSJTG-JTQLQIEISA-N"	"InChI=1S/C20H20F3N5O2/c1-10(19(24)29)25-9-16-26-15-5-6-17(27-20(15)28(16)11-3-2-4-11)30-12-7-13(21)18(23)14(22)8-12/h5-8,10-11,25H,2-4,9H2,1H3,(H2,24,29)/t10-/m0/s1"	""	""	""
"14403"	"anrikefon"	""	"Peptide"	"yes"	""	""	""	"523352195"	"137433038"	""	""	"CHEMBL5095089"	""	""	""	""	"(2R)-N-[(2R)-1-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-amino-1-oxohexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide"	"anrikefon"	"compound 8 [US11014964]|HSK-21542|HSK21542|Si Shu Jing&reg; (China)"	"CC(C)C[C@H](C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CC1)CN(C2)C(=O)C)NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CC=CC=C4)N"	"VWXDZAZSCZVCPV-YFRBGRBWSA-N"	"InChI=1S/C39H57N7O5/c1-27(2)22-33(36(49)42-32(16-10-11-19-40)38(51)45-20-17-39(18-21-45)25-46(26-39)28(3)47)44-37(50)34(24-30-14-8-5-9-15-30)43-35(48)31(41)23-29-12-6-4-7-13-29/h4-9,12-15,27,31-34H,10-11,16-26,40-41H2,1-3H3,(H,42,49)(H,43,48)(H,44,50)/t31-,32-,33-,34-/m1/s1"	""	""	""
"12086"	"ansornitinib"	""	"Synthetic organic"	""	""	""	""	"472319208"	"136234633"	""	""	""	""	""	""	""	"methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxylate"	"ansornitinib"	"ANG-3070|ANG3070|Example 1 [WO2013112959A1]"	"CN(C(=O)CN1CCN(CC1)C)c1ccc(N/C(=C/2\C(=O)Nc3nc(ccc23)C(=O)OC)/c2ccccc2)cc1"	"OABALTWKAJWHEA-RQZHXJHFSA-N"	"InChI=1S/C30H32N6O4/c1-34-15-17-36(18-16-34)19-25(37)35(2)22-11-9-21(10-12-22)31-27(20-7-5-4-6-8-20)26-23-13-14-24(30(39)40-3)32-28(23)33-29(26)38/h4-14,31H,15-19H2,1-3H3,(H,32,33,38)/b27-26-"	""	""	""
"12795"	"ANT3310"	""	"Synthetic organic"	""	""	""	""	"483123343"	"146346770"	""	""	"CHEMBL4802858"	""	""	""	""	"[(2R,5R)-2-fluoro-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate"	""	""	"C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)F"	"GCKKZLXJSUOGES-UHNVWZDZSA-N"	"InChI=1S/C6H9FN2O5S/c7-5-2-1-4-3-8(5)6(10)9(4)14-15(11,12)13/h4-5H,1-3H2,(H,11,12,13)/t4-,5+/m1/s1"	""	""	"yes"
"3489"	"antalarmin"	""	"Synthetic organic"	""	""	""	""	"178100478"	"177990"	""	""	"CHEMBL296641"	""	""	""	""	"N-butyl-N-ethyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[3,2-e]pyrimidin-4-amine"	""	""	"CCCCN(c1nc(C)nc2c1c(C)c(n2c1c(C)cc(cc1C)C)C)CC"	"IXPROWGEHNVJOY-UHFFFAOYSA-N"	"InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3"	""	""	""
"8671"	"ANTAQ"	""	"Synthetic organic"	""	""	""	""	"252166871"	"44381715"	""	""	"CHEMBL169736"	""	""	""	""	"3-anthracen-9-yl-1H-quinazoline-2,4-dione"	""	"compound 5"	"O=c1[nH]c2ccccc2c(=O)n1c1c2ccccc2cc2c1cccc2"	"SISSLRJYACXIQF-UHFFFAOYSA-N"	"InChI=1S/C22H14N2O2/c25-21-18-11-5-6-12-19(18)23-22(26)24(21)20-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)20/h1-13H,(H,23,26)"	""	""	""
"1189"	"antarelix"	""	"Peptide"	""	""	""	""	"135651992"	"16132443"	""	""	""	""	""	""	""	""	"teverelix"	"D-23234|EP 24332"	"OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)NC(C(=O)N)C)CCCCNC(C)C)CC(C)C)CCCCNC(=O)N)Cc1ccc(cc1)O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1"	"NOENHWMKHNSHGX-FAZSUBJTSA-N"	"InChI=1S/C74H100ClN15O14/c1-43(2)35-57(66(96)84-56(19-10-11-32-79-44(3)4)73(103)90-34-14-20-63(90)72(102)81-45(5)64(76)94)85-65(95)55(18-9-12-33-80-74(77)104)83-68(98)59(38-48-24-29-54(93)30-25-48)88-71(101)62(42-91)89-70(100)61(40-50-15-13-31-78-41-50)87-69(99)60(37-47-22-27-53(75)28-23-47)86-67(97)58(82-46(6)92)39-49-21-26-51-16-7-8-17-52(51)36-49/h7-8,13,15-17,21-31,36,41,43-45,55-63,79,91,93H,9-12,14,18-20,32-35,37-40,42H2,1-6H3,(H2,76,94)(H,81,102)(H,82,92)(H,83,98)(H,84,96)(H,85,95)(H,86,97)(H,87,99)(H,88,101)(H,89,100)(H3,77,80,104)/t45?,55-,56+,57+,58-,59+,60+,61-,62+,63-/m1/s1"	""	""	""
"10334"	"ANTA XV"	""	"Synthetic organic"	""	""	""	""	"381745015"	"24905375"	""	""	"CHEMBL485870"	""	""	""	""	"2-[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl]propan-2-ol"	""	""	"CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C"	"KSWYJUIFHPSZOL-UHFFFAOYSA-N"	"InChI=1S/C27H29N5O/c1-27(2,33)21-12-13-25(28-19-21)31-14-16-32(17-15-31)26-23-11-7-6-10-22(23)24(29-30-26)18-20-8-4-3-5-9-20/h3-13,19,33H,14-18H2,1-2H3"	""	""	""
"7116"	"antazoline"	""	"Synthetic organic"	"yes"	""	""	""	"178103693"	"2200"	""	""	"CHEMBL1305"	""	""	""	""	"N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline"	"antazoline"	""	"c1ccc(cc1)CN(c1ccccc1)CC1=NCCN1"	"REYFJDPCWQRWAA-UHFFFAOYSA-N"	"InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)"	""	""	""
"6987"	"anti-BrP-LPA"	""	"Synthetic organic"	""	""	""	""	"178103566"	"24771260"	""	""	""	""	""	""	""	"[(1S,3S)-1-bromo-4-hexadecanoyloxy-3-hydroxybutyl]phosphonic acid"	""	""	"CCCCCCCCCCCCCCCC(=O)OC[C@H](C[C@@H](P(=O)(O)O)Br)O"	"HLVKVWDSLLFMSX-RBUKOAKNSA-N"	"InChI=1S/C20H40BrO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23)27-17-18(22)16-19(21)28(24,25)26/h18-19,22H,2-17H2,1H3,(H2,24,25,26)/t18-,19+/m0/s1"	""	""	""
"13274"	"anti-FXII nanobody N4-38"	""	"Antibody"	""	""	""	""	"491300056"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"9124"	"anti-ILT7 antibody"	""	"Antibody"	""	""	""	""	"315661209"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"931"	"antisauvagine"	""	"Peptide"	""	""	""	""	"135651993"	"0"	""	""	""	""	""	""	""	""	""	"[dPhe<sup>11</sup>,His<sup>12</sup>]Svg<sub>(11-40)</sub>|antisauvagine-30"	""	""	""	""	""	""
"14323"	"antofloxacin"	""	"Synthetic organic"	"yes"	""	""	""	"523352115"	"24806573"	""	""	""	""	""	""	""	"(2S)-8-amino-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid"	""	""	"C[C@H]1COC2=C3N1C=C(C(=O)C3=C(C(=C2N4CCN(CC4)C)F)N)C(=O)O"	"MHFCVNDHFSOKMK-VIFPVBQESA-N"	"InChI=1S/C18H21FN4O4/c1-9-8-27-17-14-11(16(24)10(18(25)26)7-23(9)14)13(20)12(19)15(17)22-5-3-21(2)4-6-22/h7,9H,3-6,8,20H2,1-2H3,(H,25,26)/t9-/m0/s1"	""	""	"yes"
"14685"	"antrafenine"	""	"Synthetic organic"	"yes"	"yes"	""	""	"530846933"	"68723"	""	""	"CHEMBL345524"	""	""	""	""	"2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate"	"antrafenine"	"Compound 45 [PMID: 458805]|SL 73-033|SL73-033|Stakane&reg;"	"C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)C5=CC=CC(=C5)C(F)(F)F"	"NWGGKKGAFZIVBJ-UHFFFAOYSA-N"	"InChI=1S/C30H26F6N4O2/c31-29(32,33)20-4-3-5-22(18-20)40-14-12-39(13-15-40)16-17-42-28(41)24-6-1-2-7-25(24)38-26-10-11-37-27-19-21(30(34,35)36)8-9-23(26)27/h1-11,18-19H,12-17H2,(H,37,38)"	""	""	""
"11761"	"anumigilimab"	""	"Antibody"	""	""	""	""	"458923796"	"0"	""	""	""	""	""	""	""	""	"anumigilimab"	"CSL-324|CSL324"	""	""	""	""	""	""
"13778"	"ANXA3 degrader 18a5"	""	"Synthetic organic"	""	""	""	""	"507750411"	"172879838"	""	""	""	""	""	""	""	""	""	"compound 18a5 [PMID: 40013713]"	"O=C1C(NC(SCC(N2CCN(C3=NC=CC=C3)CC2)=O)=S)N=C(C4=CC=CC=C4)C5=CC=CC=C5N1C(C)C"	"SXMMTHBOJDWDGR-UHFFFAOYSA-N"	"InChI=1S/C30H32N6O2S2/c1-21(2)36-24-13-7-6-12-23(24)27(22-10-4-3-5-11-22)32-28(29(36)38)33-30(39)40-20-26(37)35-18-16-34(17-19-35)25-14-8-9-15-31-25/h3-15,21,28H,16-20H2,1-2H3,(H,33,39)"	""	""	""
"13779"	"ANXA3 degrader (R)-SL18"	""	"Synthetic organic"	""	""	""	""	"507750412"	"172879839"	""	""	""	""	""	""	""	""	""	"(+)-SL18"	"CN1C2=C(C=CC=C2)C(=N[C@@H](NC(=S)SCC(=O)NC(=O)NC3=C(C=CC(Cl)=C3)[N+]([O-])=O)C1=O)C4=CC=CC=C4"	"LWZLLHPZXXUHDA-QHCPKHFHSA-N"	"InChI=1S/C26H21ClN6O5S2/c1-32-19-10-6-5-9-17(19)22(15-7-3-2-4-8-15)30-23(24(32)35)31-26(39)40-14-21(34)29-25(36)28-18-13-16(27)11-12-20(18)33(37)38/h2-13,23H,14H2,1H3,(H,31,39)(H2,28,29,34,36)/t23-/m0/s1"	""	""	""
"13024"	"AO/854"	""	"Synthetic organic"	""	""	""	""	"485206145"	"68995"	""	""	"CHEMBL1443546"	""	""	""	""	""	""	"AO/854/43447428|o-Cresolphthalein"	"CC1=CC(=CC=C1O)C2(OC(=O)C3=C2C=CC=C3)C4=CC=C(O)C(C)=C4"	"CPBJMKMKNCRKQB-UHFFFAOYSA-N"	"InChI=1S/C22H18O4/c1-13-11-15(7-9-19(13)23)22(16-8-10-20(24)14(2)12-16)18-6-4-3-5-17(18)21(25)26-22/h3-12,23-24H,1-2H3"	""	""	""
"11292"	"AP1189"	""	"Synthetic organic"	""	""	""	""	"434321727"	"70669253"	""	""	""	""	""	""	""	"2-[(Z)-[(E)-3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]amino]guanidine"	""	"AP-1189|example 19 [WO2007141343A1]"	"NC(=N/N=C\C=C\c1cccn1c1ccccc1[N+](=O)[O-])N"	"ZSDGHWLLLGYAJV-LDRJOUGUSA-N"	"InChI=1S/C14H14N6O2/c15-14(16)18-17-9-3-5-11-6-4-10-19(11)12-7-1-2-8-13(12)20(21)22/h1-10H,(H4,15,16,18)/b5-3+,17-9-"	""	""	""
"13990"	"AP14145"	""	"Synthetic organic"	""	""	""	""	"518520617"	"71657103"	""	""	""	""	""	""	""	"N-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-1H-benzimidazol-4-yl]acetamide"	""	"AP-14145"	"CC(NC1=C2C(N=C(N[C@@H](C3=CC=CC(C(F)(F)F)=C3)C)N2)=CC=C1)=O"	"NLXYWXWZVMFJQS-SNVBAGLBSA-N"	"InChI=1S/C18H17F3N4O/c1-10(12-5-3-6-13(9-12)18(19,20)21)22-17-24-15-8-4-7-14(16(15)25-17)23-11(2)26/h3-10H,1-2H3,(H,23,26)(H2,22,24,25)/t10-/m1/s1"	""	""	""
"4134"	"AP18"	""	"Synthetic organic"	""	""	""	""	"178100956"	"9584673"	""	""	"CHEMBL593902"	""	""	""	""	"(E)-N-[(3E)-4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine"	""	"AP 18|AP-18"	"O/N=C(/C(=C/c1ccc(cc1)Cl)/C)\C"	"MHTJEUOFLVQMCL-NJHPPEEMSA-N"	"InChI=1S/C11H12ClNO/c1-8(9(2)13-14)7-10-3-5-11(12)6-4-10/h3-7,14H,1-2H3/b8-7+,13-9+"	""	""	""
"14034"	"AP30663"	""	"Synthetic organic"	""	""	""	""	"518520661"	"170836017"	""	""	""	""	""	""	""	"(3S)-3-(1H-benzimidazol-2-ylamino)-N-(cyanomethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide"	""	"AP-30663"	"CN(CC#N)C(=O)C[C@@H](C1=CC(=CC=C1)C(F)(F)F)NC2=NC3=CC=CC=C3N2"	"KPVQYQOKIIKXMI-KRWDZBQOSA-N"	"InChI=1S/C20H18F3N5O/c1-28(10-9-24)18(29)12-17(13-5-4-6-14(11-13)20(21,22)23)27-19-25-15-7-2-3-8-16(15)26-19/h2-8,11,17H,10,12H2,1H3,(H2,25,26,27)/t17-/m0/s1"	""	""	""
"5454"	"Ap3a"	""	"Synthetic organic"	""	""	""	""	"178102104"	"165381"	""	""	"CHEMBL407938"	""	""	""	""	"{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid"	""	"diadenosine triphosphate"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N"	"QCICUPZZLIQAPA-XPWFQUROSA-N"	"InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1"	""	""	""
"5453"	"Ap5a"	""	"Synthetic organic"	""	""	""	""	"178102103"	"57468154"	""	""	""	""	""	""	""	"{[bis({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphoryl]oxy}[({[(phosphonatooxy)phosphinato]oxy}phosphinato)oxy]phosphinate"	""	"diadenosine pentaphosphate"	"OC1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])[O-])[O-])OC[C@H]2O[C@H](C(C2O)O)n2cnc3c2ncnc3N)O[C@H](C1O)n1cnc2c1ncnc2N"	"DZDFIEYYTZFGFQ-ICIWVTHHSA-I"	"InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-57(44,52-56(42,43)51-55(40,41)50-54(38,39)49-53(35,36)37)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,38,39)(H,40,41)(H,42,43)(H2,21,23,25)(H2,22,24,26)(H2,35,36,37)/p-5/t7-,8-,11?,12?,13?,14?,19-,20-,57?/m1/s1"	""	""	""
"4870"	"AP811"	""	"Peptide"	""	""	""	""	"178101571"	"73755108"	""	""	""	""	""	""	""	"(3S)-3-{[(1S)-4-carbamimidamido-1-{[(2S)-2-methylbutyl]carbamoyl}butyl]carbamoyl}-3-[(2S,3S)-2-[(2S)-5-ethanimidamido-2-{2-[4-(naphthalene-2-amido)phenyl]acetamido}pentanamido]-3-methylpentanamido]propanoic acid"	""	"AP 811|AP-811"	"CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC[C@H](CC)C)CCCNC(=N)N)CC(=O)O)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)NC(=O)c1ccc2c(c1)cccc2)CCCNC(=N)C)C"	"SSSOLDGLOKWDSV-VLDRZRDYSA-N"	"InChI=1S/C47H67N11O8/c1-6-28(3)27-53-43(63)36(14-11-23-52-47(49)50)56-45(65)38(26-40(60)61)57-46(66)41(29(4)7-2)58-44(64)37(15-10-22-51-30(5)48)55-39(59)24-31-16-20-35(21-17-31)54-42(62)34-19-18-32-12-8-9-13-33(32)25-34/h8-9,12-13,16-21,25,28-29,36-38,41H,6-7,10-11,14-15,22-24,26-27H2,1-5H3,(H2,48,51)(H,53,63)(H,54,62)(H,55,59)(H,56,65)(H,57,66)(H,58,64)(H,60,61)(H4,49,50,52)/t28-,29-,36-,37-,38-,41-/m0/s1"	""	""	""
"5139"	"APA"	""	"Synthetic organic"	""	""	""	""	"178101831"	"65020"	""	""	"CHEMBL281021"	""	""	""	""	"O-(3-aminopropyl)hydroxylamine"	""	"1-aminooxy-3-aminopropane"	"NCCCON"	"VSZFWDPIWSPZON-UHFFFAOYSA-N"	"InChI=1S/C3H10N2O/c4-2-1-3-6-5/h1-5H2"	""	""	""
"7034"	"apabetalone"	""	"Synthetic organic"	""	""	""	""	"178103613"	"135564749"	""	""	"CHEMBL2393130"	""	""	""	""	"2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1,4-dihydroquinazolin-4-one"	"apabetalone"	"QC-216|RVX 208|RVX-000222|RVX-208"	"OCCOc1c(C)cc(cc1C)c1nc(=O)c2c([nH]1)cc(cc2OC)OC"	"NETXMUIMUZJUTB-UHFFFAOYSA-N"	"InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)"	""	""	""
"3290"	"apadenoson"	""	"Synthetic organic"	""	""	""	""	"178100331"	"9805430"	""	""	"CHEMBL1950649"	""	""	""	""	""	"apadenoson"	"ATL-146e|BMS-068645"	"CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(C#CC[C@@H]1CC[C@H](CC1)C(=O)OC)nc2N"	"FLEVIENZILQUKB-XTWQNQIISA-N"	"InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12-,13-,16-,17+,18-,22+/m0/s1"	""	""	""
"1860"	"apafant"	""	"Synthetic organic"	""	""	""	""	"135649947"	"65889"	""	""	"CHEMBL280164"	""	""	""	""	"3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-(morpholin-4-yl)propan-1-one"	"apafant"	"WEB 2086 BS|WEB-2086"	"O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl"	"JGPJQFOROWSRRS-UHFFFAOYSA-N"	"InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3"	"yes"	""	""
"10759"	"apalcillin"	""	"Synthetic organic"	""	""	""	""	"405560200"	"6602341"	""	""	"CHEMBL3306902"	""	""	""	""	"(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-[(4-oxo-1H-1,5-naphthyridine-3-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"apalcillin"	"PC-904|PC904|WY-44,417|WY-44417"	"O=C([C@@H](c1ccccc1)NC(=O)c1c[nH]c2c(c1=O)nccc2)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C"	"XMQVYNAURODYCQ-SLFBBCNNSA-N"	"InChI=1S/C25H23N5O6S/c1-25(2)19(24(35)36)30-22(34)17(23(30)37-25)29-21(33)15(12-7-4-3-5-8-12)28-20(32)13-11-27-14-9-6-10-26-16(14)18(13)31/h3-11,15,17,19,23H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,35,36)/t15-,17-,19+,23-/m1/s1"	""	""	"yes"
"9043"	"apalutamide"	""	"Synthetic organic"	"yes"	""	""	""	"315661128"	"24872560"	""	""	"CHEMBL3183409"	""	""	""	""	"4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide"	"apalutamide"	"ARN-509|ARN509|Erleada&reg;|JNJ-56021927"	"CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C21CCC2)c1cnc(c(c1)C(F)(F)F)C#N"	"HJBWBFZLDZWPHF-UHFFFAOYSA-N"	"InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)"	""	""	""
"2311"	"apamin"	""	"Peptide"	""	""	""	""	"135651994"	"16218850"	""	""	"CHEMBL525408"	""	""	""	""	""	""	""	"NCCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)C)CCC2)CCC(=O)O)[C@H](O)C)C)CC(C)C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1cnc[nH]1)CCC(=O)N)CCC(=O)N"	"YVIIHEKJCKCXOB-STYWVVQQSA-N"	"InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1"	""	""	""
"12039"	"apararenone"	""	"Synthetic organic"	""	""	""	""	"472319162"	"24744336"	""	""	"CHEMBL2181929"	""	""	""	""	""	"apararenone"	"compound 39 [PMID: 35652647]|MT-3995|MT3995"	"O=C1C(C)(C)Oc2cc(NS(=O)(=O)C)ccc2N1c1ccc(F)cc1"	"AZNHWXAFPBYFGH-UHFFFAOYSA-N"	"InChI=1S/C17H17FN2O4S/c1-17(2)16(21)20(13-7-4-11(18)5-8-13)14-9-6-12(10-15(14)24-17)19-25(3,22)23/h4-10,19H,1-3H3"	""	""	""
"14705"	"apazunersen"	""	"Nucleic acid"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"apazunersen"	"GTX-102|GTX102"	""	""	""	""	""	""
"13869"	"APB-R3"	""	"Peptide"	""	""	""	""	"513757554"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"13418"	"APC148"	""	"Synthetic organic"	""	""	""	""	"496703388"	"134274808"	""	""	""	""	""	""	""	"6-({bis[(pyridin-2-yl)methyl]amino}methyl)-N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pyridine-3-carboxamide"	""	"ZN148"	"CN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)C1=CC=C(CN(CC2=NC=CC=C2)CC3=NC=CC=C3)N=C1"	"YDMPBIVRJWWDAB-ZYQDXHPFSA-N"	"InChI=1S/C26H33N5O6/c1-30(16-22(33)24(35)25(36)23(34)17-32)26(37)18-8-9-21(29-12-18)15-31(13-19-6-2-4-10-27-19)14-20-7-3-5-11-28-20/h2-12,22-25,32-36H,13-17H2,1H3/t22-,23+,24+,25+/m0/s1"	""	""	"yes"
"12151"	"APD668"	""	"Synthetic organic"	""	""	""	""	"472319273"	"11705608"	""	""	"CHEMBL1775179"	""	""	""	""	"propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate"	""	"APD-668|compound 3k [PMID: 21444206]|compound A129 [WO2005007658A2]|JNJ-28630368|JNJ28630368"	"CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2c1cnn2c1c(cc(cc1)S(=O)(=O)C)F"	"XTRUQJBVQBUKSQ-UHFFFAOYSA-N"	"InChI=1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3"	""	""	""
"14343"	"apecotrep"	""	"Synthetic organic"	""	""	""	""	"523352135"	"138674835"	""	""	"CHEMBL5832929"	""	""	""	""	"[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone"	"apecotrep"	"BI 764198|BI-764198|compound 17 [US10800757B2]"	"COC1=CC(=NC=C1OC2=CC=C(C=C2)F)C(=O)N3CCC(CC3)C4=NN=C(C=C4)N"	"JUALOUHZJJERQT-UHFFFAOYSA-N"	"InChI=1S/C22H22FN5O3/c1-30-19-12-18(25-13-20(19)31-16-4-2-15(23)3-5-16)22(29)28-10-8-14(9-11-28)17-6-7-21(24)27-26-17/h2-7,12-14H,8-11H2,1H3,(H2,24,27)"	""	""	""
"605"	"apelin-13"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651621"	"25078060"	"Q9ULZ1|Q9R0R3|Q9R0R4"	"ENSG00000171388|ENSMUSG00000037010|ENSRNOG00000003984"	"CHEMBL414173"	""	""	""	""	""	""	"[Pyr1]-Apelin-13"	"NCCCC[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCSC)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CO"	"XXCCRHIAIBQDPX-PEWBXTNBSA-N"	"InChI=1S/C69H111N23O16S/c1-39(2)32-47(86-58(98)44(17-9-26-78-68(73)74)83-63(103)52-20-12-29-91(52)65(105)45(18-10-27-79-69(75)76)84-56(96)42(71)22-23-54(72)94)59(99)89-50(37-93)61(101)87-48(34-41-35-77-38-81-41)60(100)82-43(16-7-8-25-70)57(97)80-36-55(95)90-28-11-19-51(90)62(102)85-46(24-31-109-3)66(106)92-30-13-21-53(92)64(104)88-49(67(107)108)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,93H,7-13,16-34,36-37,70-71H2,1-3H3,(H2,72,94)(H,77,81)(H,80,97)(H,82,100)(H,83,103)(H,84,96)(H,85,102)(H,86,98)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,73,74,78)(H4,75,76,79)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1"	""	""	""
"5354"	"apelin-13(F13A)"	""	"Peptide"	""	""	""	""	"178102016"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3556"	"apelin-17"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651622"	"16130452"	"Q9R0R3|Q9R0R4|Q9ULZ1"	"ENSG00000171388|ENSRNOG00000003984|ENSMUSG00000037010"	""	""	""	""	""	""	""	"K17F"	"CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"	"SVWSKJCJNAIKNH-MJZUAXFLSA-N"	"InChI=1S/C96H156N34O20S/c1-55(2)47-67(83(140)127-71(53-131)86(143)125-69(50-58-51-109-54-115-58)85(142)116-60(26-11-13-38-98)78(135)114-52-76(133)128-43-18-31-72(128)87(144)122-66(36-46-151-3)91(148)130-45-20-33-74(130)89(146)126-70(92(149)150)49-57-23-8-5-9-24-57)124-81(138)63(29-16-41-112-95(105)106)120-88(145)73-32-19-44-129(73)90(147)65(30-17-42-113-96(107)108)121-82(139)64(34-35-75(100)132)119-80(137)61(27-14-39-110-93(101)102)117-79(136)62(28-15-40-111-94(103)104)118-84(141)68(48-56-21-6-4-7-22-56)123-77(134)59(99)25-10-12-37-97/h4-9,21-24,51,54-55,59-74,131H,10-20,25-50,52-53,97-99H2,1-3H3,(H2,100,132)(H,109,115)(H,114,135)(H,116,142)(H,117,136)(H,118,141)(H,119,137)(H,120,145)(H,121,139)(H,122,144)(H,123,134)(H,124,138)(H,125,143)(H,126,146)(H,127,140)(H,149,150)(H4,101,102,110)(H4,103,104,111)(H4,105,106,112)(H4,107,108,113)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1"	""	""	""
"606"	"apelin-36"	"Human"	"Peptide"	""	""	""	""	"135651624"	"16130451"	"Q9ULZ1"	"ENSG00000171388"	""	""	""	""	""	""	""	""	"CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"	"BVTLGARMSLXAHI-VDEROMQGSA-N"	"InChI=1S/C185H298N68O42S/c1-100(2)83-108(188)148(265)246-147(102(5)6)173(290)238-122(60-63-140(191)258)175(292)252-80-33-55-135(252)170(287)233-111(43-20-67-209-178(192)193)150(267)221-94-144(262)248-76-29-52-132(248)167(284)234-118(49-26-73-215-184(204)205)159(276)244-129(97-254)152(269)222-95-143(261)247-75-28-51-131(247)166(283)223-96-146(264)250-78-31-54-134(250)169(286)242-126(87-105-89-217-109-40-15-14-39-107(105)109)163(280)231-119(58-61-138(189)256)151(268)219-91-141(259)218-92-142(260)225-112(44-21-68-210-179(194)195)153(270)228-114(45-22-69-211-180(196)197)154(271)227-113(42-17-19-66-187)157(274)240-125(85-103-35-10-8-11-36-103)162(279)230-116(47-24-71-213-182(200)201)155(272)229-115(46-23-70-212-181(198)199)156(273)232-120(59-62-139(190)257)160(277)236-121(50-27-74-216-185(206)207)174(291)251-79-32-56-136(251)171(288)235-117(48-25-72-214-183(202)203)158(275)239-124(84-101(3)4)161(278)245-130(98-255)165(282)241-127(88-106-90-208-99-224-106)164(281)226-110(41-16-18-65-186)149(266)220-93-145(263)249-77-30-53-133(249)168(285)237-123(64-82-296-7)176(293)253-81-34-57-137(253)172(289)243-128(177(294)295)86-104-37-12-9-13-38-104/h8-15,35-40,89-90,99-102,108,110-137,147,217,254-255H,16-34,41-88,91-98,186-188H2,1-7H3,(H2,189,256)(H2,190,257)(H2,191,258)(H,208,224)(H,218,259)(H,219,268)(H,220,266)(H,221,267)(H,222,269)(H,223,283)(H,225,260)(H,226,281)(H,227,271)(H,228,270)(H,229,272)(H,230,279)(H,231,280)(H,232,273)(H,233,287)(H,234,284)(H,235,288)(H,236,277)(H,237,285)(H,238,290)(H,239,275)(H,240,274)(H,241,282)(H,242,286)(H,243,289)(H,244,276)(H,245,278)(H,246,265)(H,294,295)(H4,192,193,209)(H4,194,195,210)(H4,196,197,211)(H4,198,199,212)(H4,200,201,213)(H4,202,203,214)(H4,204,205,215)(H4,206,207,216)/t108-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,147-/m0/s1"	""	""	""
"3555"	"apelin-36"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651623"	"155817443"	"Q9R0R3|Q9R0R4"	"ENSMUSG00000037010|ENSRNOG00000003984"	""	""	""	""	""	""	""	""	"CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"	"NRXGOOSANFUBIE-ZINMNJNTSA-N"	"InChI=1S/C185H304N68O43S/c1-98(2)82-109(189)148(266)246-144(100(5)6)172(290)238-122(46-21-24-67-188)174(292)251-78-35-58-135(251)169(287)235-119(53-31-74-215-184(204)205)159(277)248-146(103(9)257)173(291)245-131(96-255)164(282)231-118(52-30-73-214-183(202)203)158(276)247-145(102(8)256)171(289)222-94-143(264)249-76-33-55-132(249)166(284)220-92-140(261)224-101(7)147(265)239-127(86-106-88-217-110-43-18-17-42-108(106)110)162(280)232-120(60-62-137(190)258)150(268)219-90-139(260)218-91-141(262)225-112(47-25-68-209-178(192)193)151(269)228-114(48-26-69-210-179(194)195)152(270)227-113(45-20-23-66-187)155(273)241-126(84-104-38-13-11-14-39-104)161(279)230-116(50-28-71-212-181(198)199)153(271)229-115(49-27-70-211-180(196)197)154(272)233-121(61-63-138(191)259)157(275)236-123(54-32-75-216-185(206)207)175(293)252-79-36-57-134(252)168(286)234-117(51-29-72-213-182(200)201)156(274)240-125(83-99(3)4)160(278)244-130(95-254)165(283)242-128(87-107-89-208-97-223-107)163(281)226-111(44-19-22-65-186)149(267)221-93-142(263)250-77-34-56-133(250)167(285)237-124(64-81-297-10)176(294)253-80-37-59-136(253)170(288)243-129(177(295)296)85-105-40-15-12-16-41-105/h11-18,38-43,88-89,97-103,109,111-136,144-146,217,254-257H,19-37,44-87,90-96,186-189H2,1-10H3,(H2,190,258)(H2,191,259)(H,208,223)(H,218,260)(H,219,268)(H,220,284)(H,221,267)(H,222,289)(H,224,261)(H,225,262)(H,226,281)(H,227,270)(H,228,269)(H,229,271)(H,230,279)(H,231,282)(H,232,280)(H,233,272)(H,234,286)(H,235,287)(H,236,275)(H,237,285)(H,238,290)(H,239,265)(H,240,274)(H,241,273)(H,242,283)(H,243,288)(H,244,278)(H,245,291)(H,246,266)(H,247,276)(H,248,277)(H,295,296)(H4,192,193,209)(H4,194,195,210)(H4,196,197,211)(H4,198,199,212)(H4,200,201,213)(H4,202,203,214)(H4,204,205,215)(H4,206,207,216)/t101-,102+,103+,109-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,144-,145-,146-/m0/s1"	""	""	""
"7930"	"apelin receptor early endogenous ligand"	"Human"	"Peptide"	""	""	""	""	"249565613"	"0"	"P0DMC3"	"ENSG00000248329"	""	""	""	""	""	""	""	"ELA|ELABELA|Ende|tdl|toddler"	""	""	""	""	""	""
"7931"	"apelin receptor early endogenous ligand"	"Mouse"	"Peptide"	""	""	""	""	"249565614"	"0"	"P0DMC4"	"ENSMUSG00000079042"	""	""	""	""	""	""	""	"Ende"	""	""	""	""	""	""
"2609"	"APETx-1"	""	"Peptide"	""	""	""	""	"135651995"	"0"	"P61541"	""	""	""	""	""	""	""	""	"Toxin APETx1"	""	""	""	""	""	""
"4135"	"APETx2"	""	"Peptide"	""	""	""	""	"178100957"	"0"	"P61542"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"13070"	"APG-1252-M1"	""	"Synthetic organic"	""	""	""	""	"491299852"	"90279478"	""	""	""	""	""	""	""	"1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperidine-4-carboxylic acid"	""	"APG-1244|BM-1244"	"CC(C)N1C(C)=C(C(=C1C2=CC=C(Cl)C=C2)C3=CC(=CC(F)=C3)N4CCN(CC4)C5=CC=C(NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCC(CC7)C(O)=O)CSC8=CC=CC=C8)C(=C6)S(=O)(=O)C(F)(F)F)C=C5)S(C)(=O)=O"	"OGHPBBHWAPIYHS-VZUYHUTRSA-N"	"InChI=1S/C54H59ClF4N6O8S4/c1-35(2)65-36(3)52(75(4,68)69)50(51(65)37-10-12-40(55)13-11-37)39-30-41(56)32-45(31-39)64-28-26-63(27-29-64)44-16-14-42(15-17-44)61-77(72,73)47-18-19-48(49(33-47)76(70,71)54(57,58)59)60-43(34-74-46-8-6-5-7-9-46)22-25-62-23-20-38(21-24-62)53(66)67/h5-19,30-33,35,38,43,60-61H,20-29,34H2,1-4H3,(H,66,67)/t43-/m1/s1"	""	""	""
"13697"	"API-32"	""	"Synthetic organic"	""	""	""	""	"507750331"	"114786893"	""	""	""	""	""	""	""	"6-(1,3-benzodioxol-5-ylmethoxy)-7H-purin-2-amine"	""	""	"NC1=NC2=C(N=CN2)C(OCC3=CC=C4OCOC4=C3)=N1"	"RCSIXGPWIQUBAG-UHFFFAOYSA-N"	"InChI=1S/C13H11N5O3/c14-13-17-11-10(15-5-16-11)12(18-13)19-4-7-1-2-8-9(3-7)21-6-20-8/h1-3,5H,4,6H2,(H3,14,15,16,17,18)"	""	""	""
"7495"	"apicidin"	""	"Natural product"	""	""	""	""	"187051797"	"6918328"	""	""	"CHEMBL430060"	""	""	""	""	"(3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone"	""	"OSI-2040"	"CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1cn(c2c1cccc2)OC)[C@H](CC)C"	"JWOGUUIOCYMBPV-GMFLJSBRSA-N"	"InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1"	""	"yes"	""
"4136"	"apigenin"	""	"Natural product"	""	""	""	""	"178100958"	"5280443"	""	""	"CHEMBL28"	""	""	""	""	"5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one"	""	""	"Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O"	"KZNIFHPLKGYRTM-UHFFFAOYSA-N"	"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H"	""	""	""
"9859"	"apilimod"	""	"Synthetic organic"	""	""	""	""	"363894153"	"10173277"	""	""	""	""	""	""	""	"N-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine"	"apilimod"	"LAM-002A (apilimod dimesylate)|LAM002A|STA 5326|STA-5326|STA5326"	"Cc1cccc(c1)/C=N/Nc1nc(OCCc2ccccn2)nc(c1)N1CCOCC1"	"HSKAZIJJKRAJAV-KOEQRZSOSA-N"	"InChI=1S/C23H26N6O2/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28)/b25-17+"	"yes"	""	""
"11180"	"apitegromab"	""	"Antibody"	"yes"	""	""	""	"434122240"	"0"	""	""	""	""	""	""	""	""	"apitegromab"	"apitegromab-mstn|Isembyld&reg;|SRK-015|SRK015"	""	""	""	""	""	""
"7888"	"apitolisib"	""	"Synthetic organic"	""	""	""	""	"249565579"	"25254071"	""	""	"CHEMBL1922094"	""	""	""	""	"(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one"	"apitolisib"	"GDC-0980|GDC0980|RG-7422|RG7422"	"O=C(N1CCN(CC1)Cc1sc2c(c1C)nc(nc2N1CCOCC1)c1cnc(nc1)N)[C@@H](O)C"	"YOVVNQKCSKSHKT-HNNXBMFYSA-N"	"InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1"	""	""	""
"6390"	"apixaban"	""	"Synthetic organic"	"yes"	""	""	""	"178103006"	"10182969"	""	""	"CHEMBL231779"	""	""	""	""	"1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide"	"apixaban"	"BMS-562247|Eliquis&reg;"	"COc1ccc(cc1)n1nc(c2c1C(=O)N(CC2)c1ccc(cc1)N1CCCCC1=O)C(=O)N"	"QNZCBYKSOIHPEH-UHFFFAOYSA-N"	"InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)"	""	""	""
"13957"	"APL-2301"	""	"Synthetic organic"	""	""	""	""	"513757642"	"166150171"	""	""	""	""	""	""	""	"6-bromo-5-chloro-7-nitroquinolin-8-ol"	""	"ASN-1733|MET-102"	"C1=CC2=C(C(=C(C(=C2Cl)Br)[N+](=O)[O-])O)N=C1"	"BZGYNSYRIWILNU-UHFFFAOYSA-N"	"InChI=1S/C9H4BrClN2O3/c10-5-6(11)4-2-1-3-12-7(4)9(14)8(5)13(15)16/h1-3,14H"	""	""	"yes"
"805"	"aplaviroc"	""	"Synthetic organic"	""	""	""	""	"135649948"	"3001322"	""	""	"CHEMBL1255794"	""	""	""	""	"4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl-hydroxymethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid"	"aplaviroc"	"AK-602|GW 873140|GW873140A"	"CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O"	"GWNOTCOIYUNTQP-FQLXRVMXSA-N"	"InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1"	""	""	""
"13089"	"aplithianine A"	""	"Natural product"	""	""	""	""	"491299871"	"168665407"	""	""	""	""	""	""	""	"6-(3-methylimidazol-4-yl)-4-(7H-purin-6-yl)-2,3-dihydro-1,4-thiazine"	""	"compound 1 [PMID: 37843072]"	"CN1C=NC=C1C2=CN(CCS2)C3=NC=NC4=C3NC=N4"	"IEDDDZFQZKDRBJ-UHFFFAOYSA-N"	"InChI=1S/C13H13N7S/c1-19-8-14-4-9(19)10-5-20(2-3-21-10)13-11-12(16-6-15-11)17-7-18-13/h4-8H,2-3H2,1H3,(H,15,16,17,18)"	""	""	""
"417"	"APNEA"	""	"Synthetic organic"	""	""	""	""	"135649949"	"4397"	""	""	"CHEMBL326958"	""	""	""	""	"2-[6-[2-(4-aminophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	""	"N6-2-(4-aminophenyl)ethyladenosine"	"OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCCc1ccc(cc1)N"	"XTPOZVLRZZIEBW-UHFFFAOYSA-N"	"InChI=1S/C18H22N6O4/c19-11-3-1-10(2-4-11)5-6-20-16-13-17(22-8-21-16)24(9-23-13)18-15(27)14(26)12(7-25)28-18/h1-4,8-9,12,14-15,18,25-27H,5-7,19H2,(H,20,21,22)"	""	""	""
"14517"	"APO-50815"	""	"Synthetic organic"	""	""	""	""	"528429838"	"178342679"	""	""	""	""	""	""	""	"2-Allyl-1-(6-(3-hydroxythietan-3-yl)pyridin-2-yl)-6-((2′-methyl-2′,3′-dihydro-1′H-spiro[cyclopropane-1,4′-isoquinolin]-7′-yl)amino)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one"	""	"compound 14 [PMID: 42030708]"	"C(C=C)N1N(C2=NC(=NC=C2C1=O)NC3=CC=C4C5(CN(CC4=C3)C)CC5)C6=NC(=CC=C6)C7(CSC7)O"	"APISUTHODZFPSM-UHFFFAOYSA-N"	"InChI=1S/C28H29N7O2S/c1-3-11-34-25(36)20-13-29-26(30-19-7-8-21-18(12-19)14-33(2)15-27(21)9-10-27)32-24(20)35(34)23-6-4-5-22(31-23)28(37)16-38-17-28/h3-8,12-13,37H,1,9-11,14-17H2,2H3,(H,29,30,32)"	""	""	""
"33"	"apomorphine"	""	"Synthetic organic"	"yes"	""	""	""	"135649950"	"6005"	""	""	"CHEMBL53"	""	""	""	""	"(9R)-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,13,15-hexaene-3,4-diol"	""	"Apokyn&reg;|Ixense&reg;|Kynmobi&reg; (sublingual film)|Onapgo&reg; (apomorphine hydrochloride for continuous subcutaneous release)|Uprima&reg;"	"CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O"	"VMWNQDUVQKEIOC-CYBMUJFWSA-N"	"InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1"	""	""	""
"13293"	"aponermin"	""	"Peptide"	"yes"	""	""	""	"496703263"	"0"	""	""	""	""	""	""	""	""	""	"Shaite&reg; (China)"	""	""	""	""	""	""
"8662"	"APR19"	""	"Synthetic organic"	""	""	""	""	"252166862"	"54596718"	""	""	""	""	""	""	""	"(1S,2R,8S,10aR,12aS)-1,8-difluoro-2,10a,12a-trimethyl-1,2,3,4,4a,4b,5,7,8,9,10,10b,11,12-tetradecahydrochrysene"	""	""	"F[C@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC[C@H]([C@@H]2F)C)C)C1)C"	"UEILQXVVJHZGQK-KYFJQHFKSA-N"	"InChI=1S/C21H32F2/c1-13-4-7-17-16-6-5-14-12-15(22)8-10-20(14,2)18(16)9-11-21(17,3)19(13)23/h5,13,15-19H,4,6-12H2,1-3H3/t13-,15+,16?,17?,18?,19+,20+,21+/m1/s1"	""	""	""
"7117"	"apraclonidine"	""	"Synthetic organic"	"yes"	""	""	""	"178103694"	"2216"	""	""	"CHEMBL647"	""	""	""	""	"2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine"	"apraclonidine"	"AL-02145|Iopidine&reg;|para-amino clonidine"	"Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1"	"IEJXVRYNEISIKR-UHFFFAOYSA-N"	"InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)"	""	""	""
"10685"	"apraglutide"	""	"Peptide"	""	""	""	""	"404859132"	"0"	""	""	""	""	""	""	""	""	"apraglutide"	"CVQ1IAY2G6|FE 203799|FE203799"	""	""	""	""	""	""
"10760"	"apramycin"	""	"Natural product"	""	""	""	""	"405560201"	"3081545"	""	""	"CHEMBL1230961"	""	""	""	""	"(2R,3R,4S,5S,6S)-2-[[(2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol"	"apramycin"	"EBL-1003|EL-857|EL857|nebramycin factor 2|nebramycin II"	"CN[C@@H]1[C@H](O[C@@H]2[C@@H]([C@@H]1O)O[C@@H]([C@@H](C2)N)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O)N)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)N"	"XZNUGFQTQHRASN-XQENGBIVSA-N"	"InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1"	""	""	"yes"
"6482"	"apratastat"	""	"Synthetic organic"	""	""	""	""	"178103096"	"11452716"	""	""	"CHEMBL206815"	""	""	""	""	"(3S)-N-hydroxy-4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide"	"apratastat"	"compound 5h [PMID: 16426848]|TMI-05|TMI005"	"OCC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC([C@@H]1C(=O)NO)(C)C"	"MAVDNGWEBZTACC-HNNXBMFYSA-N"	"InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1"	"yes"	""	""
"7372"	"apremilast"	""	"Synthetic organic"	"yes"	""	""	""	"178103944"	"11561674"	""	""	"CHEMBL514800"	""	""	""	""	"N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide"	"apremilast"	"CC-10004|Otezla&reg;"	"CCOc1cc(ccc1OC)[C@H](N1C(=O)c2c(C1=O)c(ccc2)NC(=O)C)CS(=O)(=O)C"	"IMOZEMNVLZVGJZ-QGZVFWFLSA-N"	"InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1"	"yes"	""	""
"3490"	"aprepitant"	""	"Synthetic organic"	"yes"	""	""	""	"178100479"	"135413536"	""	""	"CHEMBL1471"	""	""	""	""	"5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one"	"aprepitant"	"Aponvie&reg;|Emend&reg;"	"Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C"	"ATALOFNDEOCMKK-OITMNORJSA-N"	"InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1"	""	""	""
"12677"	"apricitabine"	""	"Synthetic organic"	""	""	""	""	"483123225"	"455041"	""	""	"CHEMBL210651"	""	""	""	""	""	"apricitabine"	"AVX-754|AVX754|BCH 10618|BCH10618|SPD-754|SPD754"	"C1[C@@H](S[C@@H](O1)CO)N2C=CC(=NC2=O)N"	"RYMCFYKJDVMSIR-RNFRBKRXSA-N"	"InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m1/s1"	""	""	""
"5068"	"APRIL"	"Human"	"Peptide"	""	""	""	""	"178101761"	"0"	"O75888"	"ENSG00000161955"	""	""	""	""	""	""	""	"A proliferation-inducing ligand|TALL2|TNF- and APOL-related leukocyte expressed ligand 2|TNF-related death ligand 1|TRDL-1|ZTNF2"	""	""	""	"yes"	""	""
"14706"	"aprinocarsen"	""	"Nucleic acid"	""	""	""	""	""	"121493082"	""	""	""	""	""	""	""	""	"aprinocarsen"	"ISI 641A|ISIS 3521|LY-900003|LY900003|PKC-ALPHA"	"CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=S)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O[C@H]5C[C@@H](O[C@@H]5COP(=S)(O)O[C@H]6C[C@@H](O[C@@H]6CO)N7C=NC8=C7N=C(NC8=O)N)N9C=C(C(=O)NC9=O)C)S)N%10C=C(C(=O)NC%10=O)C)N%11C=CC(=NC%11=O)N)OP(=S)(O)OC[C@@H]%12[C@H](C[C@@H](O%12)N%13C=CC(=NC%13=O)N)OP(=S)(O)OC[C@@H]%14[C@H](C[C@@H](O%14)N%15C=NC%16=C%15N=C(NC%16=O)N)OP(=S)(O)OC[C@@H]%17[C@H](C[C@@H](O%17)N%18C=CC(=NC%18=O)N)OP(=S)(O)OC[C@@H]%19[C@H](C[C@@H](O%19)N%20C=C(C(=O)NC%20=O)C)OP(=S)(O)OC[C@@H]%21[C@H](C[C@@H](O%21)N%22C=NC%23=C%22N=C(NC%23=O)N)OP(=S)(O)OC[C@@H]%24[C@H](C[C@@H](O%24)N%25C=NC%26=C%25N=C(NC%26=O)N)OP(=S)(O)OC[C@@H]%27[C@H](C[C@@H](O%27)N%28C=C(C(=O)NC%28=O)C)OP(=S)(O)OC[C@@H]%29[C@H](C[C@@H](O%29)N%30C=NC%31=C%30N=C(NC%31=O)N)OP(=S)(O)OC[C@@H]%32[C@H](C[C@@H](O%32)N%33C=NC%34=C(N=CN=C%34%33)N)OP(=S)(O)OC[C@@H]%35[C@H](C[C@@H](O%35)N%36C=NC%37=C%36N=C(NC%37=O)N)OP(=S)(O)OC[C@@H]%38[C@H](C[C@@H](O%38)N%39C=C(C(=O)NC%39=O)C)OP(=S)(O)OC[C@@H]%40[C@H](C[C@@H](O%40)N%41C=C(C(=O)NC%41=O)C)OP(=S)(O)OC[C@@H]%42[C@H](C[C@@H](O%42)N%43C=C(C(=O)NC%43=O)C)OP(=S)(O)OC[C@@H]%44[C@H](C[C@@H](O%44)N%45C=CC(=NC%45=O)N)OP(=S)(O)OC[C@@H]%46[C@H](C[C@@H](O%46)N%47C=NC%48=C(N=CN=C%48%47)N)O"	"NMYKBZSMOUFOJV-FJSWQEPZSA-N"	"InChI=1S/C196H249N68O105P19S19/c1-75-37-249(189(285)237-165(75)267)132-23-89(109(337-132)51-313-371(294,390)351-84-18-141(331-103(84)45-265)259-69-215-149-159(259)225-179(203)231-173(149)275)359-378(301,397)320-54-112-92(26-135(340-112)252-40-78(4)168(270)240-192(252)288)358-377(300,396)315-48-106-86(20-129(334-106)246-14-10-124(198)222-186(246)282)353-372(295,391)318-52-110-90(24-133(338-110)250-38-76(2)166(268)238-190(250)286)356-376(299,395)316-49-107-88(22-131(335-107)248-16-12-126(200)224-188(248)284)355-374(297,393)326-60-118-98(32-142(346-118)260-70-216-150-160(260)226-180(204)232-174(150)276)365-383(306,402)317-50-108-87(21-130(336-108)247-15-11-125(199)223-187(247)283)354-373(296,392)319-53-111-95(29-138(339-111)255-43-81(7)171(273)243-195(255)291)362-381(304,400)328-62-120-102(36-146(348-120)264-74-220-154-164(264)230-184(208)236-178(154)280)369-388(311,407)330-64-122-100(34-144(350-122)262-72-218-152-162(262)228-182(206)234-176(152)278)367-385(308,404)324-58-116-96(30-139(344-116)256-44-82(8)172(274)244-196(256)292)363-382(305,401)327-61-119-101(35-145(347-119)263-73-219-153-163(263)229-183(207)235-177(153)279)368-387(310,406)325-59-117-97(31-140(345-117)258-68-214-148-156(202)210-66-212-158(148)258)364-386(309,405)329-63-121-99(33-143(349-121)261-71-217-151-161(261)227-181(205)233-175(151)277)366-384(307,403)323-57-115-94(28-137(343-115)254-42-80(6)170(272)242-194(254)290)361-380(303,399)322-56-114-93(27-136(342-114)253-41-79(5)169(271)241-193(253)289)360-379(302,398)321-55-113-91(25-134(341-113)251-39-77(3)167(269)239-191(251)287)357-375(298,394)314-47-105-85(19-128(333-105)245-13-9-123(197)221-185(245)281)352-370(293,389)312-46-104-83(266)17-127(332-104)257-67-213-147-155(201)209-65-211-157(147)257/h9-16,37-44,65-74,83-122,127-146,265-266H,17-36,45-64H2,1-8H3,(H,293,389)(H,294,390)(H,295,391)(H,296,392)(H,297,393)(H,298,394)(H,299,395)(H,300,396)(H,301,397)(H,302,398)(H,303,399)(H,304,400)(H,305,401)(H,306,402)(H,307,403)(H,308,404)(H,309,405)(H,310,406)(H,311,407)(H2,197,221,281)(H2,198,222,282)(H2,199,223,283)(H2,200,224,284)(H2,201,209,211)(H2,202,210,212)(H,237,267,285)(H,238,268,286)(H,239,269,287)(H,240,270,288)(H,241,271,289)(H,242,272,290)(H,243,273,291)(H,244,274,292)(H3,203,225,231,275)(H3,204,226,232,276)(H3,205,227,233,277)(H3,206,228,234,278)(H3,207,229,235,279)(H3,208,230,236,280)/t83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,370?,371?,372?,373?,374?,375?,376?,377?,378?,379?,380?,381?,382?,383?,384?,385?,386?,387?,388?/m0/s1"	""	""	""
"10070"	"aprocitentan"	""	"Synthetic organic"	"yes"	""	""	""	"375973257"	"25099191"	""	""	""	""	""	""	""	"5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine"	"aprocitentan"	"ACT-132577|ACT132577|Tryvio&reg;"	"Brc1ccc(cc1)c1c(OCCOc2ncc(cn2)Br)ncnc1NS(=O)(=O)N"	"DKULOVKANLVDEA-UHFFFAOYSA-N"	"InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)"	""	""	""
"6570"	"aprotinin"	"Bovine"	"Peptide"	"yes"	""	""	""	"178103184"	"16130295"	"P00974"	""	""	""	""	""	""	""	"aprotinin"	"basic protease inhibitor (BPI)|BPTI|pancreatic trypsin inhibitor|Trasylol&reg;"	"CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N4CCC[C@H]4C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC(=O)O)CCC(=O)O)C)CO)CCCCN)Cc3ccccc3)CC(=O)N)CC(=O)N)CCCNC(=N)N)CCCCN)C)CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CCC(=O)N)[C@@H](C)O)Cc2ccccc2)C(C)C)Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)C)CCCCN)[C@@H](C)O)Cc1ccc(cc1)O)CCC(=O)O)CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)CCCNC(=N)N)CCSC)CC(C)C)C)CCCCN)C)CC(=O)N)Cc1ccc(cc1)O)Cc1ccccc1)Cc1ccc(cc1)O)CCCNC(=N)N)[C@@H](C)CC"	"ZPNFWUPYTFPOJU-LPYSRVMUSA-N"	""	""	""	""
"14205"	"APS03118"	""	"Synthetic organic"	""	""	""	""	"518520832"	"156057581"	""	""	""	""	""	""	""	""	""	"APS-03118|compound 5 [PMID: 40920215]"	"CCOC=1C=C(C2=CC=C(N3CC4CC(C3)N4CC5=CC=C(OC)N=C5)N=C2)C6=C7C=NNC7=NN6C1"	"NYFLTHPPVNMNFL-UHFFFAOYSA-N"	"InChI=1S/C27H28N8O2/c1-3-37-21-9-22(26-23-12-30-31-27(23)32-35(26)16-21)18-5-6-24(28-11-18)33-14-19-8-20(15-33)34(19)13-17-4-7-25(36-2)29-10-17/h4-7,9-12,16,19-20H,3,8,13-15H2,1-2H3,(H,31,32)"	""	""	""
"8803"	"apstatin"	""	"Synthetic organic"	""	""	""	""	"252827461"	"447280"	""	""	"CHEMBL311875"	""	""	""	""	"(2S)-1-[(2S)-1-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]pyrrolidine-2-carbonyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide"	""	""	"C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](Cc1ccccc1)N)O"	"YVUUZAPYLPWFHE-HXFGRODQSA-N"	"InChI=1S/C23H33N5O5/c1-14(20(25)30)26-21(31)17-9-5-11-27(17)22(32)18-10-6-12-28(18)23(33)19(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,29H,5-6,9-13,24H2,1H3,(H2,25,30)(H,26,31)/t14-,16+,17-,18-,19-/m0/s1"	""	""	""
"1732"	"Ap<sub>4</sub>A"	""	"Metabolite"	""	""	""	""	"135651441"	"25243905"	""	""	""	""	""	""	""	"[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinato]oxy}phosphinato)oxy]phosphonate"	""	"5',5'''-diadenosine tetraphosphate|adenosyl-P4|Ap4A|diadenosine tetraphosphate"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)[O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N"	"YOAHKNVSNCMZGQ-XPWFQUROSA-J"	"InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/p-4/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1"	""	""	""
"14335"	"APT-101"	""	"Synthetic organic"	""	""	""	""	"523352127"	"129226407"	""	""	""	""	""	""	""	"(S)-3-(1-Cyclopentyl-5-(2-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxamido)-5-(3,3-difluoropiperidin-1-yl)pentanoic acid"	""	"APT101|compound 423 [WO2017100558A1]|compound 52 [PMID: 35594649]"	"C1(CCCC1)N2N=C(C=C2C3=C(C=CC=C3)C(F)(F)F)C(=O)N[C@H](CC(=O)O)CCN4CC(CCC4)(F)F"	"HSTYVOXQTWCRDM-KRWDZBQOSA-N"	"InChI=1S/C26H31F5N4O3/c27-25(28)11-5-12-34(16-25)13-10-17(14-23(36)37)32-24(38)21-15-22(35(33-21)18-6-1-2-7-18)19-8-3-4-9-20(19)26(29,30)31/h3-4,8-9,15,17-18H,1-2,5-7,10-14,16H2,(H,32,38)(H,36,37)/t17-/m0/s1"	""	""	""
"13556"	"Apta-1"	""	"Nucleic acid"	""	""	""	""	"500839966"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	"yes"	""
"12538"	"APV206690A"	""	"Synthetic organic"	""	""	""	""	"479821328"	"21304318"	""	""	""	""	""	""	""	"2-[(2-methoxyphenoxy)methylsulfanyl]-1H-benzimidazole"	""	"example 2 [WO2008024364A2]"	"COC1=C(OCSC2=NC3=C(N2)C=CC=C3)C=CC=C1"	"VWPMKWIMDYQBLH-UHFFFAOYSA-N"	"InChI=1S/C15H14N2O2S/c1-18-13-8-4-5-9-14(13)19-10-20-15-16-11-6-2-3-7-12(11)17-15/h2-9H,10H2,1H3,(H,16,17)"	""	""	""
"12539"	"APV207010A"	""	"Synthetic organic"	""	""	""	""	"479821329"	"2767151"	""	""	""	""	""	""	""	"methyl 3-(5-nitropyridin-2-yl)oxythiophene-2-carboxylate"	""	"example 3 [WO2008024364A2]"	"[N+](=O)([O-])C=1C=CC(=NC1)OC2=C(SC=C2)C(=O)OC"	"GSBNWRFUGOOOEO-UHFFFAOYSA-N"	"InChI=1S/C11H8N2O5S/c1-17-11(14)10-8(4-5-19-10)18-9-3-2-7(6-12-9)13(15)16/h2-6H,1H3"	""	""	""
"12540"	"APV207094A"	""	"Synthetic organic"	""	""	""	""	"479821330"	"682464"	""	""	""	""	""	""	""	"ethyl 2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetate"	""	"example 1 [WO2008024364A2]"	"CCOC(=O)C/N=C/1\SC2=C(C=CC=C2)N1C"	"WYEBSLMBMXIUQI-SEYXRHQNSA-N"	"InChI=1S/C12H14N2O2S/c1-3-16-11(15)8-13-12-14(2)9-6-4-5-7-10(9)17-12/h4-7H,3,8H2,1-2H3/b13-12-"	""	""	""
"12541"	"APV207095A"	""	"Synthetic organic"	""	""	""	""	"479821331"	"1870934"	""	""	""	""	""	""	""	"1-(3-methyl-1,3-benzothiazol-2-ylidene)-3-prop-2-enylthiourea"	""	""	"CN1/C(/SC2=C1C=CC=C2)=N/C(=S)NCC=C"	"XCGANXSUHYMPGJ-OWBHPGMISA-N"	"InChI=1S/C12H13N3S2/c1-3-8-13-11(16)14-12-15(2)9-6-4-5-7-10(9)17-12/h3-7H,1,8H2,2H3,(H,13,16)/b14-12-"	""	""	""
"14651"	"APX1"	""	"Synthetic organic"	""	""	""	""	"530846899"	"179075711"	""	""	""	""	""	""	""	""	""	""	"C=1C(C2=COC(CCOCC=3C=C(OC)C(OC)=CC3)=N2)=CC=NC1"	"IAYNUSBIBXFMLE-UHFFFAOYSA-N"	"InChI=1S/C19H20N2O4/c1-22-17-4-3-14(11-18(17)23-2)12-24-10-7-19-21-16(13-25-19)15-5-8-20-9-6-15/h3-6,8-9,11,13H,7,10,12H2,1-2H3"	"yes"	""	""
"10391"	"AQ-13"	""	"Synthetic organic"	""	""	""	""	"384403670"	"3805581"	""	""	"CHEMBL144037"	""	""	""	""	"N'-(7-chloroquinolin-4-yl)-N,N-diethylpropane-1,3-diamine"	""	"Ro 47-0543"	"CCN(CCCNc1ccnc2c1ccc(c2)Cl)CC"	"NCPLTAGJJVCHOW-UHFFFAOYSA-N"	"InChI=1S/C16H22ClN3/c1-3-20(4-2)11-5-9-18-15-8-10-19-16-12-13(17)6-7-14(15)16/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,18,19)"	""	"yes"	""
"8584"	"AQ-RA 741"	""	"Synthetic organic"	""	""	""	""	"252166785"	"129989"	""	""	"CHEMBL43383"	""	""	""	""	"11-[2-[4-(4-diethylaminobutyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one"	""	""	"CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC"	"BCUGCHZRMKTPMU-UHFFFAOYSA-N"	"InChI=1S/C27H37N5O2/c1-3-30(4-2)17-8-7-10-21-14-18-31(19-15-21)20-25(33)32-24-13-6-5-11-22(24)27(34)29-23-12-9-16-28-26(23)32/h5-6,9,11-13,16,21H,3-4,7-8,10,14-15,17-20H2,1-2H3,(H,29,34)"	""	""	""
"7371"	"AQW051"	""	"Synthetic organic"	""	""	""	""	"178103943"	"50914822"	""	""	"CHEMBL4532388"	""	""	""	""	"(3R)-3-{[6-(4-methylphenyl)pyridin-3-yl]oxy}-1-azabicyclo[2.2.2]octane"	""	"AQW-051|VQW 765|VQW-765|VQW765"	"Cc1ccc(cc1)c1ccc(cn1)O[C@H]1CN2CCC1CC2"	"NPDLTEZXGWRMLQ-IBGZPJMESA-N"	"InChI=1S/C19H22N2O/c1-14-2-4-15(5-3-14)18-7-6-17(12-20-18)22-19-13-21-10-8-16(19)9-11-21/h2-7,12,16,19H,8-11,13H2,1H3/t19-/m0/s1"	""	""	""
"5653"	"AR231453"	""	"Synthetic organic"	""	""	""	""	"178102281"	"24939268"	""	""	"CHEMBL461384"	""	""	""	""	"N-(2-fluoro-4-methylsulfonylphenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine"	""	"AR 231453|AR-231,453|AR-231453"	"O=N(=O)c1c(ncnc1N1CCC(CC1)c1onc(n1)C(C)C)Nc1ccc(cc1F)S(=O)(=O)C"	"DGBKNTVAKIFYNU-UHFFFAOYSA-N"	"InChI=1S/C21H24FN7O5S/c1-12(2)18-26-21(34-27-18)13-6-8-28(9-7-13)20-17(29(30)31)19(23-11-24-20)25-16-5-4-14(10-15(16)22)35(3,32)33/h4-5,10-13H,6-9H2,1-3H3,(H,23,24,25)"	""	""	""
"11279"	"AR234958"	""	"Synthetic organic"	""	""	""	""	"434321714"	"154733032"	""	""	""	""	""	""	""	"1-(4-fluorophenyl)-4-{[4-(3-fluorophenyl)-1-(2-methoxy-4-nitrobenzenesulfonyl)pyrrolidin-3-yl]methyl}piperazine"	""	""	"COc1cc(ccc1S(=O)(=O)N1CC(C(C1)c1cccc(c1)F)CN1CCN(CC1)c1ccc(cc1)F)[N+](=O)[O-]"	"YSSZKXGYBVLEJP-UHFFFAOYSA-N"	"InChI=1S/C28H30F2N4O5S/c1-39-27-16-25(34(35)36)9-10-28(27)40(37,38)33-18-21(26(19-33)20-3-2-4-23(30)15-20)17-31-11-13-32(14-12-31)24-7-5-22(29)6-8-24/h2-10,15-16,21,26H,11-14,17-19H2,1H3"	""	""	""
"7039"	"AR234960"	""	"Synthetic organic"	""	""	""	""	"178103618"	"89560738"	""	""	""	""	""	""	""	"1-[[4-(3-fluorophenyl)-1-(2-methoxy-4-nitrophenyl)sulfonylpyrrolidin-3-yl]methyl]-4-pyridin-2-ylpiperazine"	""	"AR 234960|AR-234960"	"COc1cc(ccc1S(=O)(=O)N1CC(C(C1)c1cccc(c1)F)CN1CCN(CC1)c1ccccn1)[N+](=O)[O-]"	"TUSCHIFEASZBBF-UHFFFAOYSA-N"	"InChI=1S/C27H30FN5O5S/c1-38-25-16-23(33(34)35)8-9-26(25)39(36,37)32-18-21(24(19-32)20-5-4-6-22(28)15-20)17-30-11-13-31(14-12-30)27-7-2-3-10-29-27/h2-10,15-16,21,24H,11-14,17-19H2,1H3"	""	""	""
"7042"	"AR244555"	""	"Synthetic organic"	""	""	""	""	"178103621"	"59004159"	""	""	""	""	""	""	""	"(1'-but-3-enyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2,6-difluorophenyl)methanone"	""	"AR 244555|AR-244555"	"C=CCCN1CCC2(CC1)CN(c1c2cc(Cl)cc1)C(=O)c1c(F)cccc1F"	"QKPSTNGNDWHYCH-UHFFFAOYSA-N"	"InChI=1S/C23H23ClF2N2O/c1-2-3-11-27-12-9-23(10-13-27)15-28(20-8-7-16(24)14-17(20)23)22(29)21-18(25)5-4-6-19(21)26/h2,4-8,14H,1,3,9-13,15H2"	""	""	""
"11280"	"AR291903"	""	"Synthetic organic"	""	""	""	""	"434321715"	"15983171"	""	""	""	""	""	""	""	"5-tert-butyl-1-(2,6-difluorobenzoyl)-1'-(3,3,3-trifluoropropyl)-1,2-dihydrospiro[indole-3,4'-piperidine]"	""	""	"Fc1cccc(c1C(=O)N1CC2(c3c1ccc(c3)C(C)(C)C)CCN(CC2)CCC(F)(F)F)F"	"PKSMEKUMTYWBCL-UHFFFAOYSA-N"	"InChI=1S/C26H29F5N2O/c1-24(2,3)17-7-8-21-18(15-17)25(9-12-32(13-10-25)14-11-26(29,30)31)16-33(21)23(34)22-19(27)5-4-6-20(22)28/h4-8,15H,9-14,16H2,1-3H3"	""	""	""
"7043"	"AR305352"	""	"Peptide"	""	""	""	""	"178103622"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8919"	"AR-67"	""	"Synthetic organic"	""	""	""	""	"310264700"	"6712744"	""	""	"CHEMBL412309"	""	""	""	""	""	""	"AR67|compound 14 [PMID:11052802]|DB-67|DB67|silatecan"	"CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)[Si](C(C)(C)C)(C)C)O"	"XUSKJHCMMWAAHV-SANMLTNESA-N"	"InChI=1S/C26H30N2O5Si/c1-7-26(32)18-11-20-21-16(12-28(20)23(30)17(18)13-33-24(26)31)22(34(5,6)25(2,3)4)15-10-14(29)8-9-19(15)27-21/h8-11,29,32H,7,12-13H2,1-6H3/t26-/m0/s1"	""	""	""
"13112"	"AR-9281"	""	"Synthetic organic"	""	""	""	""	"491299894"	"12000797"	""	""	"CHEMBL436774"	""	""	""	""	"1-(1-acetylpiperidin-4-yl)-3-(1-adamantyl)urea"	""	"AR9281|compound 14a [PMID: 21211973]"	"CC(=O)N1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3"	"HUDQLWBKJOMXSZ-UHFFFAOYSA-N"	"InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)"	"yes"	""	""
"2391"	"arachidonic acid"	""	"Metabolite"	""	""	""	""	"135651442"	"444899"	""	""	"CHEMBL15594"	""	""	""	""	"(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid"	""	"C20:4"	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O"	"YZXBAPSDXZZRGB-DOFZRALJSA-N"	"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-"	""	""	"yes"
"738"	"arachidonyl-2-chloroethylamide"	""	"Synthetic organic"	""	""	""	""	"135651443"	"5311006"	""	""	"CHEMBL151167"	""	""	""	""	"(5Z,8Z,11Z,14Z)-N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide"	""	"ACEA"	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCl"	"SCJNCDSAIRBRIA-DOFZRALJSA-N"	"InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-"	""	""	""
"739"	"arachidonylcyclopropylamide"	""	"Synthetic organic"	""	""	""	""	"135651444"	"5311007"	""	""	"CHEMBL418353"	""	""	""	""	"(5Z,8Z,11Z,14Z)-N-cyclopropylicosa-5,8,11,14-tetraenamide"	""	"ACPA|arachidonyl cyclopropylamide"	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1"	"GLGAUBPACOBAMV-DOFZRALJSA-N"	"InChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-22-20-21-22/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-"	""	""	""
"5142"	"arachidonyl trifluoromethyl ketone"	""	"Synthetic organic"	""	""	""	""	"178101834"	"5280436"	""	""	"CHEMBL281211"	""	""	""	""	"(6Z,9Z,12Z,15Z)-1,1,1-trifluorohenicosa-6,9,12,15-tetraen-2-one"	""	"arachidonoyltrifluoromethylketone|arachidonyltrifluoromethyl ketone|ATFMK"	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)C(F)(F)F"	"PLWROONZUDKYKG-DOFZRALJSA-N"	"InChI=1S/C21H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21(22,23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-"	""	""	""
"11744"	"aranidipine"	""	"Synthetic organic"	"yes"	""	""	""	"458923779"	"2225"	""	""	"CHEMBL2104030"	""	""	""	""	"3-O-methyl 5-O-(2-oxopropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"aranidipine"	"MPC-1304|MPC1304|Sapresta&reg;"	"CC1=C(C(C(=C(N1)C)C(=O)OCC(=O)C)c1ccccc1[N+](=O)[O-])C(=O)OC"	"NCUCGYYHUFIYNU-UHFFFAOYSA-N"	"InChI=1S/C19H20N2O7/c1-10(22)9-28-19(24)16-12(3)20-11(2)15(18(23)27-4)17(16)13-7-5-6-8-14(13)21(25)26/h5-8,17,20H,9H2,1-4H3"	""	""	""
"7345"	"arbekacin"	""	"Synthetic organic"	"yes"	""	""	""	"178103917"	"68682"	""	""	"CHEMBL426926"	""	""	""	""	"(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide"	"arbekacin"	"arbekacin sulfate|habekacin|ME1100|NPC-14"	"NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)CC[C@H]1N)O"	"MKKYBZZTJQGVCD-XTCKQBCOSA-N"	"InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1"	""	""	"yes"
"5907"	"AR-C118925XX"	""	"Synthetic organic"	""	""	""	""	"178102530"	"54210200"	""	""	""	""	""	""	""	"5-[(5-{6,13-dimethyltricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-yl}-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]-N-(1H-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide"	""	"AR-C118925"	"Cc1ccc2c(c1)C=Cc1c(C2c2cn(Cc3ccc(o3)C(=O)Nc3nnn[nH]3)c(=O)[nH]c2=S)ccc(c1)C"	"PVKNPGQAFNALOI-UHFFFAOYSA-N"	"InChI=1S/C28H23N7O3S/c1-15-3-8-20-17(11-15)5-6-18-12-16(2)4-9-21(18)24(20)22-14-35(28(37)30-26(22)39)13-19-7-10-23(38-19)25(36)29-27-31-33-34-32-27/h3-12,14,24H,13H2,1-2H3,(H,30,37,39)(H2,29,31,32,33,34,36)"	""	""	""
"1738"	"AR-C126313"	""	"Synthetic organic"	""	""	""	""	"135649951"	"22003577"	""	""	""	""	""	""	""	"5-(7-chloro-10H-benzo[1,2]cyclohepta[2,4-c][1,3]thiazol-10-yl)-1-methyl-4-sulfanylidenepyrimidin-2-one"	""	"compound 52 [PMID: 18600475]|compound 71a [PMID: 15078212]"	"Clc1ccc2c(c1)C=Cc1c(C2c2cn(C)c(=O)[nH]c2=S)ncs1"	"ZDHQVQVNOIWLNX-UHFFFAOYSA-N"	"InChI=1S/C17H12ClN3OS2/c1-21-7-12(16(23)20-17(21)22)14-11-4-3-10(18)6-9(11)2-5-13-15(14)19-8-24-13/h2-8,14H,1H3,(H,20,22,23)"	""	""	""
"524"	"ARC-239"	""	"Synthetic organic"	""	""	""	""	"135649952"	"122211"	""	""	""	""	""	""	""	"2-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-4,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,3-dione"	""	"AR-C239|ARC239"	"COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C"	"OSEADGVOKYGIER-UHFFFAOYSA-N"	"InChI=1S/C25H30N2O3/c1-25(2)20-9-5-4-8-18(20)23(28)19(24(25)29)12-13-26-14-16-27(17-15-26)21-10-6-7-11-22(21)30-3/h4-11,19H,12-17H2,1-3H3"	""	""	""
"1756"	"AR-C67085"	""	"Synthetic organic"	""	""	""	""	"135649953"	"5310954"	""	""	"CHEMBL336292"	""	""	""	""	"[[[[(2R,3S,4R,5R)-5-(6-amino-2-propylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-dichloromethyl]phosphonic acid"	""	"AR-C67085MX|ARC-67085|ARC67085|PSB-0413"	"CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O"	"ZLIAJZQKKBOFJR-WOUKDFQISA-N"	"InChI=1S/C14H22Cl2N5O12P3S/c1-2-3-37-13-19-10(17)7-11(20-13)21(5-18-7)12-9(23)8(22)6(32-12)4-31-36(29,30)33-35(27,28)14(15,16)34(24,25)26/h5-6,8-9,12,22-23H,2-4H2,1H3,(H,27,28)(H,29,30)(H2,17,19,20)(H2,24,25,26)/t6-,8-,9-,12-/m1/s1"	""	""	""
"4137"	"arcaine"	""	"Metabolite"	""	""	""	""	"178100959"	"2227"	""	""	"CHEMBL102740"	""	""	""	""	"2-{4-[(diaminomethylidene)amino]butyl}guanidine"	""	""	"NC(=NCCCCN=C(N)N)N"	"HGMDNMBBCKDWTQ-UHFFFAOYSA-N"	"InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)"	""	""	""
"13586"	"arctigenin"	""	"Natural product"	""	""	""	""	"504705405"	"64981"	""	""	"CHEMBL435734"	""	""	""	""	"(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one"	""	"(-)-Arctigenin"	"[H][C@]1(CC2=CC=C(OC)C(OC)=C2)COC(=O)[C@]1([H])CC3=CC=C(O)C(OC)=C3"	"NQWVSMVXKMHKTF-JKSUJKDBSA-N"	"InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1"	""	""	""
"13248"	"ARD-1676"	""	"Synthetic organic"	""	""	""	""	"491300030"	"156180706"	""	""	"CHEMBL4861594"	""	""	""	""	"2-chloro-4-[(3S)-8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile"	""	"ARD1676|compound 39 [PMID: 37683104]"	"ClC1=C(C#N)C=CC(N2[C@@H](C)CC3(CCN(C4=CC=C(C(N5CCC(CN6CC7=CC8=C(C(N(C9C(NC(CC9)=O)=O)C8=O)=O)C=C7C6)CC5)=O)C=C4)CC3)C2)=C1"	"GAXWAKXJBZHVQF-ZVENJKCTSA-N"	"InChI=1S/C44H46ClN7O5/c1-27-21-44(26-51(27)34-7-4-30(22-46)37(45)20-34)12-16-49(17-13-44)33-5-2-29(3-6-33)41(55)50-14-10-28(11-15-50)23-48-24-31-18-35-36(19-32(31)25-48)43(57)52(42(35)56)38-8-9-39(53)47-40(38)54/h2-7,18-20,27-28,38H,8-17,21,23-26H2,1H3,(H,47,53,54)/t27-,38?/m0/s1"	""	""	""
"11755"	"ARD-2585"	""	"Synthetic organic"	""	""	""	""	"458923790"	"162366967"	""	""	""	""	""	""	""	""	""	"ARD2585|compound 43 [PMID: 34473519]"	"Clc1c(C#N)ccc(N(C)[C@H]2CC[C@@H](CC2)NC(=O)c2ccc(N3CCN(C4CN(C4)c4cc5c(C(=O)N(C6C(=O)NC(=O)CC6)C5=O)cc4)CC3)cc2)c1"	"LUCHABJUYSYJAT-RVWRWSNSSA-N"	"InChI=1S/C41H43ClN8O5/c1-46(30-9-4-26(22-43)35(42)21-30)28-10-5-27(6-11-28)44-38(52)25-2-7-29(8-3-25)47-16-18-48(19-17-47)32-23-49(24-32)31-12-13-33-34(20-31)41(55)50(40(33)54)36-14-15-37(51)45-39(36)53/h2-4,7-9,12-13,20-21,27-28,32,36H,5-6,10-11,14-19,23-24H2,1H3,(H,44,52)(H,45,51,53)/t27-,28-,36?"	""	""	""
"10579"	"ARD-266"	""	"Synthetic organic"	""	""	""	""	"404859026"	"145996519"	""	""	""	""	""	""	""	"(2S,4R)-N-((S)-3-(3-(4-((4-(((1r,3r)-3-(3-Chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl)carbamoyl)phenyl)ethynyl)piperidin-1-yl)azetidin-1-yl)-3-oxo-1-phenylpropyl)-4-hydroxy-1-((R)-3-methyl-2-(3-methylisoxazol-5-yl)butanoyl)pyrrolidine-2-carboxamide"	""	"compound 11 [PMID: 31804827]"	"N#Cc1ccc(cc1Cl)O[C@@H]1C(C)(C)[C@H](C1(C)C)NC(=O)c1ccc(cc1)C#CC1CCN(CC1)C(=O)C[C@@H](c1ccccc1)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](c1onc(c1)C)C(C)C)O"	"RTNONCBKGZNCJS-LJLQSONVSA-N"	"InChI=1S/C52H59ClN6O7/c1-31(2)45(43-25-32(3)57-66-43)48(64)59-30-38(60)26-42(59)47(63)55-41(35-11-9-8-10-12-35)28-44(61)58-23-21-34(22-24-58)14-13-33-15-17-36(18-16-33)46(62)56-49-51(4,5)50(52(49,6)7)65-39-20-19-37(29-54)40(53)27-39/h8-12,15-20,25,27,31,34,38,41-42,45,49-50,60H,21-24,26,28,30H2,1-7H3,(H,55,63)(H,56,62)/t38-,41+,42+,45-,49-,50-/m1/s1"	""	""	""
"10182"	"ARD-69"	""	"Synthetic organic"	""	""	""	""	"381118892"	"137321163"	""	""	""	""	""	""	""	""	""	"ARD69|compound 34 [PMID: 30629437]"	"N#Cc1ccc(cc1Cl)O[C@@H]1C(C)(C)[C@H](C1(C)C)NC(=O)c1ccc(cc1)C#CC1CCN(CC1)C1CCN(CC1)C(=O)C[C@@H](c1ccc(cc1)c1scnc1C)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)C1(F)CC1)O"	"CWGVEMFBQJUWLU-RXFAPWBBSA-N"	"InChI=1S/C62H74ClFN8O7S/c1-37-51(80-36-66-37)41-17-15-40(16-18-41)48(67-54(76)49-31-45(73)35-72(49)55(77)52(59(2,3)4)68-58(78)62(64)25-26-62)33-50(74)71-29-23-44(24-30-71)70-27-21-39(22-28-70)10-9-38-11-13-42(14-12-38)53(75)69-56-60(5,6)57(61(56,7)8)79-46-20-19-43(34-65)47(63)32-46/h11-20,32,36,39,44-45,48-49,52,56-57,73H,21-31,33,35H2,1-8H3,(H,67,76)(H,68,78)(H,69,75)/t45-,48+,49+,52-,56-,57-/m1/s1"	""	""	""
"9487"	"arecaidine"	""	"Synthetic organic"	""	""	""	""	"329968427"	"10355"	""	""	"CHEMBL432561"	""	""	""	""	"1-methyl-5,6-dihydro-2H-pyridine-3-carboxylic acid"	""	"methylguvacine|N-methylguvacine"	"CN1CC(=CCC1)C(=O)O"	"DNJFTXKSFAMXQF-UHFFFAOYSA-N"	"InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)"	""	""	""
"295"	"arecaidine propargyl ester"	""	"Synthetic organic"	""	""	""	""	"135649955"	"2229"	""	""	"CHEMBL128365"	""	""	""	""	"prop-2-ynyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate"	""	""	"CN1CC(=CCC1)C(=O)OCC#C"	"SPHRJZBOFYIKMC-UHFFFAOYSA-N"	"InChI=1S/C10H13NO2/c1-3-7-13-10(12)9-5-4-6-11(2)8-9/h1,5H,4,6-8H2,2H3"	""	""	""
"296"	"arecoline"	""	"Natural product"	""	""	""	""	"135652666"	"2230"	""	""	"CHEMBL7303"	""	""	""	""	"methyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate"	""	"methylarecaiden|methylarecaidin|taeniolin"	"COC(=O)C1=CCCN(C1)C"	"HJJPJSXJAXAIPN-UHFFFAOYSA-N"	"InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3"	""	""	""
"7479"	"arformoterol"	""	"Synthetic organic"	"yes"	""	""	""	"187051782"	"3083544"	""	""	"CHEMBL1363"	""	""	""	""	"N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide"	""	"(-)-Formoterol|(R,R)-Formoterol|Brovana&reg;|YM-08316"	"O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O"	"BPZSYCZIITTYBL-YJYMSZOUSA-N"	"InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1"	"yes"	""	""
"6385"	"argatroban"	""	"Synthetic organic"	"yes"	""	""	""	"178103001"	"92722"	""	""	"CHEMBL1166"	""	""	""	""	"(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid"	"argatroban"	"DK-7419|GN-1600|Gn1600|MCI-9038|MD-805"	"NC(=NCCC[C@@H](C(=O)N1CC[C@H](C[C@@H]1C(=O)O)C)NS(=O)(=O)c1cccc2c1NCC(C2)C)N"	"KXNPVXPOPUZYGB-IOVMHBDKSA-N"	"InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1"	""	""	""
"2169"	"arginine vasotocin"	""	"Peptide"	""	""	""	""	"135652004"	"68649"	""	""	""	""	""	""	""	"L-cysteinyl-L-tyrosyl-(3S)-DL-isoleucyl-L-glutaminyl-L-asparagyl-L-cysteinyl-DL-prolyl-L-arginyl-glycinamide (1->6)-disulfide"	"argiprestocin"	"[Arg<sup>8</sup>]vasotocin|AVT"	"CC[C@@H](C1NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCCC1C(=O)N[C@H](C(=O)NCC(=O)N)CCCN=C(N)N)C"	"OXDZADMCOWPSOC-ICBIOJHSSA-N"	"InChI=1S/C43H67N15O12S2/c1-3-21(2)34-41(69)53-26(12-13-31(45)60)37(65)55-28(17-32(46)61)38(66)56-29(20-72-71-19-24(44)35(63)54-27(39(67)57-34)16-22-8-10-23(59)11-9-22)42(70)58-15-5-7-30(58)40(68)52-25(6-4-14-50-43(48)49)36(64)51-18-33(47)62/h8-11,21,24-30,34,59H,3-7,12-20,44H2,1-2H3,(H2,45,60)(H2,46,61)(H2,47,62)(H,51,64)(H,52,68)(H,53,69)(H,54,63)(H,55,65)(H,56,66)(H,57,67)(H4,48,49,50)/t21-,24-,25-,26-,27-,28-,29-,30?,34?/m0/s1"	""	""	""
"4138"	"argiotoxin"	""	"Natural product"	""	""	""	""	"178100960"	"122294"	""	""	"CHEMBL1098240"	""	""	""	""	"(2S)-N-(5-{[3-({3-[(2S)-2-amino-5-[(diaminomethylidene)amino]pentanamido]propyl}amino)propyl]amino}pentyl)-2-[2-(2,4-dihydroxyphenyl)acetamido]butanediamide"	""	"argiotoxin 636"	"NC(=NCCC[C@@H](C(=O)NCCCNCCCNCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(cc1O)O)CC(=O)N)N)N"	"FTNICLJXPYLDAH-GOTSBHOMSA-N"	"InChI=1S/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/m0/s1"	""	""	""
"1689"	"[Arg<sup>14</sup>Lys<sup>15</sup>]N/OFQ"	""	"Peptide"	""	""	""	""	"135651996"	"0"	""	""	""	""	""	""	""	""	""	"[Arg<sup>14</sup>Lys<sup>15</sup>]nociceptin|[Arg<sup>14</sup>Lys<sup>15</sup>]nociceptin/orphanin FQ|[Arg<sup>14</sup>Lys<sup>15</sup>]orphanin FQ"	""	""	""	""	""	""
"3293"	"[Arg<sup>16</sup>]chicken secretin"	""	"Peptide"	""	""	""	""	"135651997"	"0"	""	""	""	""	""	""	""	""	""	"[R<sup>16</sup>]chicken secretin"	""	""	""	""	""	""
"1792"	"[Arg<sup>19</sup>]PTH-(1-34) (human)"	""	"Peptide"	""	""	""	""	"135651998"	"0"	""	""	""	""	""	""	""	""	""	"[Arg<sup>19</sup>]-PTH 1-34 (human)"	""	""	""	""	""	""
"7688"	"AR-H067637"	""	"Synthetic organic"	""	""	""	""	"223366023"	"9811290"	""	""	""	""	""	""	""	"(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]azetidine-2-carboxamide"	""	""	"FC(Oc1cc(Cl)cc(c1)[C@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N)O)F"	"QTUUCFVBSVJGOH-DLBZAZTESA-N"	"InChI=1S/C21H21ClF2N4O4/c22-14-7-13(8-15(9-14)32-21(23)24)17(29)20(31)28-6-5-16(28)19(30)27-10-11-1-3-12(4-2-11)18(25)26/h1-4,7-9,16-17,21,29H,5-6,10H2,(H3,25,26)(H,27,30)/t16-,17+/m0/s1"	""	""	""
"8563"	"ARI-3099"	""	"Synthetic organic"	""	""	""	""	"252166764"	"71655266"	""	""	"CHEMBL2333026"	""	""	""	""	""	""	"compound 226 [PMID: 24997602]|compound 6 [PMID: 23594271]|Py(D)AlaboroPro"	"OB([C@@H]1CCCN1C(=O)[C@H](NC(=O)c1ccncc1)C)O"	"DRBWRJPFNOBNIO-KOLCDFICSA-N"	"InChI=1S/C13H18BN3O4/c1-9(16-12(18)10-4-6-15-7-5-10)13(19)17-8-2-3-11(17)14(20)21/h4-7,9,11,20-21H,2-3,8H2,1H3,(H,16,18)/t9-,11+/m1/s1"	""	""	""
"8564"	"ARI-3531"	""	"Synthetic organic"	""	""	""	""	"252166765"	"91827371"	""	""	""	""	""	""	""	"[(2S)-1-[(2R)-3-methyl-2-(pyridin-4-ylformamido)butanoyl]pyrrolidin-2-yl]boronic acid"	""	"compound 22 [PMID: 23594271]"	"OB([C@H]1CCCN1C(=O)[C@@H](C(C)C)NC(=O)c1ccncc1)O"	"MXZNUGFCDVAXLG-CHWSQXEVSA-N"	"InChI=1S/C15H22BN3O4/c1-10(2)13(18-14(20)11-5-7-17-8-6-11)15(21)19-9-3-4-12(19)16(22)23/h5-8,10,12-13,22-23H,3-4,9H2,1-2H3,(H,18,20)/t12-,13-/m1/s1"	""	""	""
"8271"	"arimoclomol"	""	"Synthetic organic"	"yes"	""	""	""	"252166483"	"9568077"	""	""	"CHEMBL2107726"	""	""	""	""	"N-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chloride"	"arimoclomol"	"BRX-220|BRX220|Miplyffa&reg;"	"O[C@H](CN1CCCCC1)CO/N=C(/c1ccc[n+](c1)[O-])\Cl"	"SGEIEGAXKLMUIZ-XUVDNFPMSA-N"	"InChI=1S/C14H20ClN3O3/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17/h4-5,8-9,13,19H,1-3,6-7,10-11H2/b16-14-/t13-/m1/s1"	""	""	""
"34"	"aripiprazole"	""	"Synthetic organic"	"yes"	""	""	""	"135649956"	"60795"	""	""	"CHEMBL1112"	""	""	""	""	"7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one"	"aripiprazole"	"Abilify&reg;|Aripiprex&reg;|Aristada&reg; (aripiprazole lauroxil)|OPC 14597|OPC-14597"	"O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl"	"CEUORZQYGODEFX-UHFFFAOYSA-N"	"InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)"	""	""	""
"12438"	"aristolochic acid"	""	"Synthetic organic"	""	""	""	""	"479821228"	"2236"	""	""	"CHEMBL93353"	""	""	""	""	"8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid"	""	""	"COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O"	"BBFQZRXNYIEMAW-UHFFFAOYSA-N"	"InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)"	""	""	""
"13176"	"Aristoteline"	""	"Natural product"	""	""	""	""	"491299958"	"323714"	""	""	""	""	""	""	""	""	""	""	"CC1(C2CCC3(C(C2)C(N1)CC4=C3NC5=CC=CC=C45)C)C"	"QYBCOSRUKXCALD-UHFFFAOYSA-N"	"InChI=1S/C20H26N2/c1-19(2)12-8-9-20(3)15(10-12)17(22-19)11-14-13-6-4-5-7-16(13)21-18(14)20/h4-7,12,15,17,21-22H,8-11H2,1-3H3"	""	""	""
"9153"	"arketamine"	""	"Synthetic organic"	""	""	""	""	"315661238"	"644025"	""	""	"CHEMBL467505"	""	""	""	""	"(2R)-2-(2-chlorophenyl)-2-methylaminocyclohexan-1-one"	""	"(S) Ketamine"	"CN[C@]1(CCCCC1=O)c1ccccc1Cl"	"YQEZLKZALYSWHR-CYBMUJFWSA-N"	"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m1/s1"	""	""	""
"859"	"ARL-15849"	""	"Peptide"	""	""	""	""	"135651999"	"0"	""	""	""	""	""	""	""	""	""	"AR-R 15849|ARL 15849XX|FPL 15849"	""	""	""	""	""	""
"3384"	"ARL66096"	""	"Synthetic organic"	""	""	""	""	"178100401"	"5311009"	""	""	"CHEMBL1160359"	""	""	""	""	"({[({[(2R,3S,4R,5R)-5-[6-amino-2-(propylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}difluoromethyl)phosphonic acid"	""	"2-propylthio-&beta;&gamma;-difluoromethylene ATP|ARL 66096|FPL66096"	"CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(F)F)O)O"	"ZQXUQOHLHUWLSA-WOUKDFQISA-N"	"InChI=1S/C14H22F2N5O12P3S/c1-2-3-37-13-19-10(17)7-11(20-13)21(5-18-7)12-9(23)8(22)6(32-12)4-31-36(29,30)33-35(27,28)14(15,16)34(24,25)26/h5-6,8-9,12,22-23H,2-4H2,1H3,(H,27,28)(H,29,30)(H2,17,19,20)(H2,24,25,26)/t6-,8-,9-,12-/m1/s1"	""	""	""
"9030"	"ARL 67156"	""	"Synthetic organic"	""	""	""	""	"315661115"	"10078572"	""	""	"CHEMBL1206141"	""	""	""	""	"[dibromo-[[[(2R,3S,4R,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid"	""	"6-N,N-diethyl-beta,gamma-dibromomethylene-D-ATP|ARL-67156|FPL 67156|FPL-67156"	"CCN(c1ncnc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)CC"	"ILXFKEOLRYLPJG-IDTAVKCVSA-N"	"InChI=1S/C15H24Br2N5O12P3/c1-3-21(4-2)12-9-13(19-6-18-12)22(7-20-9)14-11(24)10(23)8(33-14)5-32-37(30,31)34-36(28,29)15(16,17)35(25,26)27/h6-8,10-11,14,23-24H,3-5H2,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27)/t8-,10-,11-,14-/m1/s1"	""	""	""
"9005"	"AR-M1000390"	""	"Synthetic organic"	""	""	""	""	"310264783"	"9841259"	""	""	"CHEMBL415521"	""	""	""	""	"N,N-diethyl-4-(phenyl-piperidin-4-ylidenemethyl)benzamide"	""	"AR-M390|ARM-390"	"CCN(C(=O)c1ccc(cc1)C(=C1CCNCC1)c1ccccc1)CC"	"SMUGAZNLKPFBSB-UHFFFAOYSA-N"	"InChI=1S/C23H28N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,24H,3-4,14-17H2,1-2H3"	""	""	""
"10120"	"ARN19702"	""	"Synthetic organic"	""	""	""	""	"381118830"	"132145761"	""	""	""	""	""	""	""	"(2-ethylsulfonylphenyl)-[(2S)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-piperazin-1-yl]methanone"	""	"ARN-19702|compound 8 [PMID: 27404798]"	"CCS(=O)(=O)c1ccccc1C(=O)N1CCN(C[C@@H]1C)c1sc2c(n1)ccc(c2)F"	"UKQOLPNYRVPCBM-AWEZNQCLSA-N"	"InChI=1S/C21H22FN3O3S2/c1-3-30(27,28)19-7-5-4-6-16(19)20(26)25-11-10-24(13-14(25)2)21-23-17-9-8-15(22)12-18(17)29-21/h4-9,12,14H,3,10-11,13H2,1-2H3/t14-/m0/s1"	"yes"	""	""
"11055"	"ARN19874"	""	"Synthetic organic"	""	""	""	""	"405560496"	"139035039"	""	""	""	""	""	""	""	"2,4-dioxo-N-(4-pyridin-4-ylphenyl)-1H-quinazoline-6-sulfonamide"	""	"CS-0078339|HY-118994"	"O=c1[nH]c(=O)c2c([nH]1)ccc(c2)S(=O)(=O)Nc1ccc(cc1)c1ccncc1"	"OPBGIIQHYNFABO-UHFFFAOYSA-N"	"InChI=1S/C19H14N4O4S/c24-18-16-11-15(5-6-17(16)21-19(25)22-18)28(26,27)23-14-3-1-12(2-4-14)13-7-9-20-10-8-13/h1-11,23H,(H2,21,22,24,25)"	""	""	""
"9581"	"ARN-3236"	""	"Synthetic organic"	""	""	""	""	"340590212"	"74766530"	""	""	""	""	""	""	""	"3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine"	""	"example 86 [WO2014093383]"	"COc1cc(OC)ccc1c1c[nH]c2c1c(ccn2)c1cscc1"	"WEHOIIGXTMKVRG-UHFFFAOYSA-N"	"InChI=1S/C19H16N2O2S/c1-22-13-3-4-15(17(9-13)23-2)16-10-21-19-18(16)14(5-7-20-19)12-6-8-24-11-12/h3-11H,1-2H3,(H,20,21)"	""	""	""
"9178"	"ARN726"	""	"Synthetic organic"	""	""	""	""	"315661261"	"78319072"	""	""	""	""	""	""	""	"4-cyclohexylbutyl N-[(3S)-2-oxoazetidin-3-yl]carbamate"	""	"ARN-726|compound 6 [PMID: 25874594]"	"O=C(N[C@H]1CNC1=O)OCCCCC1CCCCC1"	"FNLUJRBWJBUJTC-LBPRGKRZSA-N"	"InChI=1S/C14H24N2O3/c17-13-12(10-15-13)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)/t12-/m0/s1"	"yes"	""	""
"14589"	"aroxybutynin"	""	"Synthetic organic"	""	""	""	""	"530846837"	"6098167"	""	""	"CHEMBL185434"	""	""	""	""	"4-(diethylamino)but-2-ynyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate"	"aroxybutynin"	"(-)-oxybutynin|(r)-oxybutynin|(R)OXY"	"CCN(CC)CC#CCOC(=O)[C@@](C1CCCCC1)(C2=CC=CC=C2)O"	"XIQVNETUBQGFHX-QFIPXVFZSA-N"	"InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/t22-/m0/s1"	""	""	""
"5140"	"ARP100"	""	"Synthetic organic"	""	""	""	""	"178101832"	"10044321"	""	""	"CHEMBL181244"	""	""	""	""	"N-hydroxy-2-[N-(propan-2-yloxy)(4-phenylbenzene)sulfonamido]acetamide"	""	"ARP 100|ARP-100"	"ONC(=O)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)OC(C)C"	"PHGLPDURIUEELR-UHFFFAOYSA-N"	"InChI=1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20)"	""	""	""
"1221"	"arpromidine"	""	"Synthetic organic"	""	""	""	""	"135649957"	"65895"	""	""	"CHEMBL293802"	""	""	""	""	"1-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(3H-imidazol-4-yl)propyl]guanidine"	"arpromidine"	"ARP"	"NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F"	"KZZIVOLMJPSDEP-UHFFFAOYSA-N"	"InChI=1S/C21H25FN6/c22-17-8-6-16(7-9-17)19(20-5-1-2-11-25-20)10-13-27-21(23)26-12-3-4-18-14-24-15-28-18/h1-2,5-9,11,14-15,19H,3-4,10,12-13H2,(H,24,28)(H3,23,26,27)"	"yes"	""	""
"11095"	"ARRY-371797"	""	"Synthetic organic"	""	""	""	""	"434122156"	"46883775"	""	""	"CHEMBL1088750"	""	""	""	""	"-(2,4-difluorophenoxy)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)indazole-6-carboxamide"	""	"ARRY-797|ARRY371797|ARRY797|compound 7 [PMID: 19950901]"	"CN(CCNC(=O)c1cc2c(cc1Oc1ccc(cc1F)F)cnn2CC(C)C)C"	"IFGWYHGYNVGVRB-UHFFFAOYSA-N"	"InChI=1S/C22H26F2N4O2/c1-14(2)13-28-19-11-17(22(29)25-7-8-27(3)4)21(9-15(19)12-26-28)30-20-6-5-16(23)10-18(20)24/h5-6,9-12,14H,7-8,13H2,1-4H3,(H,25,29)"	"yes"	""	""
"9108"	"ARRY-382"	""	"Synthetic organic"	""	""	""	""	"315661193"	"67259771"	""	""	"CHEMBL3644252"	""	""	""	""	"N-[3-cyclopropyl-1-[(6-methylpyridin-2-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide"	""	"ARRY 382|ARRY382|c-Fms-IN-12|PF-07265804|PF07265804"	"CN1CCN(CCOC2=CC3=NC=C(N3C=C2)C(=O)NC4=CC=CC5=C4C(=NN5CC6=NC(C)=CC=C6)C7CC7)CC1"	"JUPOTOIJLKDAPF-UHFFFAOYSA-N"	"InChI=1S/C32H36N8O2/c1-22-5-3-6-24(34-22)21-40-27-8-4-7-26(30(27)31(36-40)23-9-10-23)35-32(41)28-20-33-29-19-25(11-12-39(28)29)42-18-17-38-15-13-37(2)14-16-38/h3-8,11-12,19-20,23H,9-10,13-18,21H2,1-2H3,(H,35,41)"	"yes"	""	""
"10179"	"ARRY-502"	""	"Synthetic organic"	""	""	""	""	"381118889"	"131633366"	""	""	""	""	""	""	""	""	""	"ARRY502|example 237, enantiomer 1 [WO2009158426A1]"	"COc1cc(Cl)ccc1CCNC(=O)c1ccc(cc1)Oc1cc2OCC[C@@H](c2cc1Cl)C(=O)O"	"QIDYUNXQPQEJEC-IBGZPJMESA-N"	"InChI=1S/C26H23Cl2NO6/c1-33-22-12-17(27)5-2-15(22)8-10-29-25(30)16-3-6-18(7-4-16)35-24-14-23-20(13-21(24)28)19(26(31)32)9-11-34-23/h2-7,12-14,19H,8-11H2,1H3,(H,29,30)(H,31,32)/t19-/m0/s1"	"yes"	""	""
"10383"	"ARS-1620"	""	"Synthetic organic"	""	""	""	""	"384403662"	"137003167"	""	""	""	""	""	""	""	"1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one"	""	"ARS1620|example 227 [US9840516B2]"	"C=CC(=O)N1CCN(CC1)c1ncnc2c1cc(Cl)c(c2F)c1c(O)cccc1F"	"ZRPZPNYZFSJUPA-UHFFFAOYSA-N"	"InChI=1S/C21H17ClF2N4O2/c1-2-16(30)27-6-8-28(9-7-27)21-12-10-13(22)17(19(24)20(12)25-11-26-21)18-14(23)4-3-5-15(18)29/h2-5,10-11,29H,1,6-9H2"	""	""	""
"12657"	"ART558"	""	"Synthetic organic"	""	""	""	""	"483123205"	"156068882"	""	""	""	""	""	""	""	"(2S,3R)-1-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]-3-hydroxy-N-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide"	""	"ART-558|compound 22 [PMID: 36200480]"	"CC1=CC(=CC=C1)N(C)C(=O)[C@@H]2[C@@H](CCN2C3=NC(=CC(=C3C#N)C(F)(F)F)C)O"	"YHMDHAMZFMNMTF-MSOLQXFVSA-N"	"InChI=1S/C21H21F3N4O2/c1-12-5-4-6-14(9-12)27(3)20(30)18-17(29)7-8-28(18)19-15(11-25)16(21(22,23)24)10-13(2)26-19/h4-6,9-10,17-18,29H,7-8H2,1-3H3/t17-,18+/m1/s1"	""	""	""
"12658"	"ART812"	""	"Synthetic organic"	""	""	""	""	"483123206"	"156077039"	""	""	""	""	""	""	""	"(2S,3S,4S)-N-(3-chloro-4-fluorophenyl)-3,4-dihydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-5-oxopyrrolidine-2-carboxamide"	""	"ART-812|compound 43 [PMID: 36200480]"	"CC1=CC(=CC(=N1)N2[C@@H]([C@@H]([C@@H](C2=O)O)O)C(=O)N(C)C3=CC(=C(C=C3)F)Cl)C(F)(F)F"	"YJJOABOMFPGRED-JYJNAYRXSA-N"	"InChI=1S/C19H16ClF4N3O4/c1-8-5-9(19(22,23)24)6-13(25-8)27-14(15(28)16(29)18(27)31)17(30)26(2)10-3-4-12(21)11(20)7-10/h3-7,14-16,28-29H,1-2H3/t14-,15-,16-/m0/s1"	""	""	""
"9971"	"artefenomel"	""	"Synthetic organic"	""	""	""	""	"374883858"	"24999143"	""	""	""	""	""	""	""	"4-{2-{4-(cis-dispiro[adamantane-2,3'-[1,2,4]trioxolane- 5',1''-cyclohexane]-4''-yl)phenoxy]ethyl}morpholine"	"artefenomel"	"OZ439"	"O1CCN(CC1)CCOc1ccc(cc1)C1CCC2(CC1)OOC1(O2)C2CC3CC1CC(C2)C3"	"XLCNVWUKICLURR-UHFFFAOYSA-N"	"InChI=1S/C28H39NO5/c1-3-26(31-14-11-29-9-12-30-13-10-29)4-2-22(1)23-5-7-27(8-6-23)32-28(34-33-27)24-16-20-15-21(18-24)19-25(28)17-20/h1-4,20-21,23-25H,5-19H2"	""	"yes"	""
"10397"	"arteflene"	""	"Synthetic organic"	""	""	""	""	"384403676"	"6436134"	""	""	"CHEMBL380230"	""	""	""	""	"(1R,4S,5S,8R)-8-[(Z)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-4,8-dimethyl-6,7-dioxabicyclo[3.3.1]nonan-3-one"	"arteflene"	"Ro 42-1611"	"O=C1C[C@H]2C[C@@H]([C@@H]1C)OO[C@@]2(C)/C=C\c1ccc(cc1C(F)(F)F)C(F)(F)F"	"LRTRTVPZZJAADL-DAHZFVMQSA-N"	"InChI=1S/C19H18F6O3/c1-10-15(26)8-13-9-16(10)27-28-17(13,2)6-5-11-3-4-12(18(20,21)22)7-14(11)19(23,24)25/h3-7,10,13,16H,8-9H2,1-2H3/b6-5-/t10-,13+,16+,17+/m1/s1"	""	"yes"	""
"9955"	"artemether"	""	"Synthetic organic"	"yes"	""	""	""	"374883842"	"68911"	""	""	"CHEMBL566534"	""	""	""	""	"(1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0<sup>4,13</sup>.0<sup>8,13</sup>]hexadecane"	"artemether"	"&beta;-artemether|beta-artemether|Coartem&reg; (artemether + lumefantrine)"	"CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3"	"SXYIRMFQILZOAM-HVNFFKDJSA-N"	"InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1"	""	"yes"	""
"4871"	"artemin"	"Human"	"Peptide"	""	""	""	""	"178101572"	"0"	"Q5T4W7"	"ENSG00000117407"	""	""	""	""	""	""	""	"ARTN"	""	""	""	""	""	""
"9954"	"artemisinin"	""	"Natural product"	""	""	""	""	"374883841"	"68827"	""	""	"CHEMBL269671"	""	""	""	""	"(1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0<sup>4,13</sup>.0<sup>8,13</sup>]hexadecan-10-one"	"artemisinin"	"qinghaosu"	"O=C1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3"	"BLUAFEHZUWYNDE-NNWCWBAJSA-N"	"InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1"	""	"yes"	""
"9958"	"artemotil"	""	"Synthetic organic"	""	""	""	""	"374883845"	"3000469"	""	""	"CHEMBL301267"	""	""	""	""	"(1R,4S,5R,8S,9R,10S,12R,13R)-10-ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0<sup>4,13</sup>.0<sup>8,13</sup>]hexadecane"	"artemotil"	"&beta;-arteether"	"CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3"	"NLYNIRQVMRLPIQ-XQLAAWPRSA-N"	"InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1"	""	"yes"	""
"9957"	"artenimol"	""	"Natural product"	"yes"	""	""	""	"374883844"	"3000518"	""	""	""	""	""	""	""	"(3r,5as,6r,8as,9r,10s,12r,12ar)-decahydro-3,6,9-trimethyl-3,12-epoxy-12h-pyrano[4,3-j][1,2]benzodioxepin-10-ol"	"artenimol"	"DHA|dihydroartemisinin|GNF-Pf-5634"	"O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3"	"BJDCWCLMFKKGEE-ISOSDAIHSA-N"	"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1"	""	"yes"	""
"6302"	"artepillin C"	""	"Natural product"	""	""	""	""	"178102921"	"5472440"	""	""	"CHEMBL456309"	""	""	""	""	"(E)-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic acid"	""	""	"CC(=CCc1cc(/C=C/C(=O)O)cc(c1O)CC=C(C)C)C"	"KABCFARPAMSXCC-JXMROGBWSA-N"	"InChI=1S/C19H24O3/c1-13(2)5-8-16-11-15(7-10-18(20)21)12-17(19(16)22)9-6-14(3)4/h5-7,10-12,22H,8-9H2,1-4H3,(H,20,21)/b10-7+"	""	""	""
"9956"	"artesunate"	""	"Synthetic organic"	"yes"	""	""	""	"374883843"	"6917864"	""	""	"CHEMBL361497"	""	""	""	""	"4-oxo-4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0<sup>4,13</sup>.0<sup>8,13</sup>]hexadecan-10-yl]oxy]butanoic acid"	"artesunate"	""	"OC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3"	"FIHJKUPKCHIPAT-AHIGJZGOSA-N"	"InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1"	""	"yes"	""
"12624"	"ARV-766"	""	"Synthetic organic"	""	""	""	""	"479821414"	"156504141"	""	""	""	""	""	""	""	""	""	"ARV766"	"COC1=CC(O[C@H]2C(C)(C)[C@H](NC(=O)C3=CC=C(C=C3)N4CCC(CN5CCN(CC5)C6=CC=C(C(=O)N[C@H]7CCC(=O)NC7=O)C(F)=C6)CC4)C2(C)C)=CC=C1C#N"	"RDPPBRKNBBXPNZ-FMPIRMQTSA-N"	"InChI=1S/C45H54FN7O6/c1-44(2)42(45(3,4)43(44)59-33-12-8-30(26-47)37(25-33)58-5)50-39(55)29-6-9-31(10-7-29)52-18-16-28(17-19-52)27-51-20-22-53(23-21-51)32-11-13-34(35(46)24-32)40(56)48-36-14-15-38(54)49-41(36)57/h6-13,24-25,28,36,42-43H,14-23,27H2,1-5H3,(H,48,56)(H,50,55)(H,49,54,57)/t36-,42-,43-/m0/s1"	""	""	""
"10564"	"ARV-771"	""	"Synthetic organic"	""	""	""	""	"404859011"	"126619980"	""	""	""	""	""	""	""	""	""	"ARV771"	"O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)COCCCOCCNC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C)C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C"	"PQOGZKGXGLHDGS-QQRWPDCKSA-N"	"InChI=1S/C49H60ClN9O7S2/c1-27-30(4)68-48-41(27)42(33-14-16-35(50)17-15-33)54-37(45-57-56-31(5)59(45)48)23-39(61)51-18-21-65-19-9-20-66-25-40(62)55-44(49(6,7)8)47(64)58-24-36(60)22-38(58)46(63)53-28(2)32-10-12-34(13-11-32)43-29(3)52-26-67-43/h10-17,26,28,36-38,44,60H,9,18-25H2,1-8H3,(H,51,61)(H,53,63)(H,55,62)/t28-,36+,37-,38-,44+/m0/s1"	""	""	""
"2485"	"arvanil"	""	"Synthetic organic"	""	""	""	""	"53801091"	"6449767"	""	""	"CHEMBL123254"	""	""	""	""	"(5Z,8Z,11Z,14Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide"	""	"N-vanillylarachidonamide"	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1ccc(c(c1)OC)O"	"QVLMCRFQGHWOPM-ZKWNWVNESA-N"	"InChI=1S/C28H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(31)29-24-25-21-22-26(30)27(23-25)32-2/h7-8,10-11,13-14,16-17,21-23,30H,3-6,9,12,15,18-20,24H2,1-2H3,(H,29,31)/b8-7-,11-10-,14-13-,17-16-"	""	""	""
"381"	"AS100"	""	"Synthetic organic"	""	""	""	""	"135649958"	"135489238"	""	""	"CHEMBL32802"	""	""	""	""	"N-(3,4-dichlorophenyl)-2-{[5-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}acetamide"	""	"AS 100|AS-100"	"CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)Cl)Cl"	"OESRCCUPNGDTIR-UHFFFAOYSA-N"	"InChI=1S/C23H25Cl2N7O4/c1-4-8-31-21-19(22(34)32(9-5-2)23(31)35)27-20(28-21)16-11-18(29-30(16)3)36-12-17(33)26-13-6-7-14(24)15(25)10-13/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,26,33)(H,27,28)"	""	""	""
"437"	"AS101"	""	"Synthetic organic"	""	""	""	""	"135649959"	"135476605"	""	""	""	""	""	""	""	"[(5Z)-5-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-1-methyl-2H-pyrazol-3-yl] 2-[(3,4-dimethoxyphenyl)amino]acetate"	""	"ammonium tri-chloro(dioxoethylene-O,O'-)tellurate|AS 101|AS-101"	"CCCn1c2=N/C(=c\3/cc([nH]n3C)OC(=O)CNc3ccc(c(c3)OC)OC)/N=c2c(=O)n(c1=O)CCC"	"OZNDSRMQISJHIZ-JWGURIENSA-N"	"InChI=1S/C25H31N7O6/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-13-19(29-30(16)3)38-20(33)14-26-15-8-9-17(36-4)18(12-15)37-5/h8-9,12-13,26,29H,6-7,10-11,14H2,1-5H3/b22-16-"	"yes"	""	""
"4027"	"AS1269574"	""	"Synthetic organic"	""	""	""	""	"178100853"	"5332859"	""	""	"CHEMBL1956589"	""	""	""	""	"2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol"	""	"AS 1269574|AS-1269574"	"OCCNc1cc(C)nc(n1)c1ccc(cc1)Br"	"DUKPGOOUJNUIOI-UHFFFAOYSA-N"	"InChI=1S/C13H14BrN3O/c1-9-8-12(15-6-7-18)17-13(16-9)10-2-4-11(14)5-3-10/h2-5,8,18H,6-7H2,1H3,(H,15,16,17)"	""	""	""
"14435"	"AS-1517499"	""	"Synthetic organic"	""	""	""	""	"528429756"	"10340781"	""	""	"CHEMBL228192"	""	""	""	""	"4-(benzylamino)-2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidine-5-carboxamide"	""	"AS1517499|compound 2t [PMID: 17071093]"	"O=C(C1=CN=C(NCCC2=CC=C(O)C(Cl)=C2)N=C1NCC3=CC=CC=C3)N"	"OZRMEKAUZBKTTC-UHFFFAOYSA-N"	"InChI=1S/C20H20ClN5O2/c21-16-10-13(6-7-17(16)27)8-9-23-20-25-12-15(18(22)28)19(26-20)24-11-14-4-2-1-3-5-14/h1-7,10,12,27H,8-9,11H2,(H2,22,28)(H2,23,24,25,26)"	"yes"	""	""
"5722"	"AS1535907"	""	"Synthetic organic"	""	""	""	""	"178102348"	"10200069"	""	""	"CHEMBL1956608"	""	""	""	""	"2-(4-bromophenyl)-6-methyl-N-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine"	""	"AS 1535907|AS-1535907"	"Brc1ccc(cc1)c1nc(NCCc2ccc[n+](c2)[O-])cc(n1)C"	"ANESWNKKPIMPNA-UHFFFAOYSA-N"	"InChI=1S/C18H17BrN4O/c1-13-11-17(20-9-8-14-3-2-10-23(24)12-14)22-18(21-13)15-4-6-16(19)7-5-15/h2-7,10-12H,8-9H2,1H3,(H,20,21,22)"	""	""	""
"438"	"AS16"	""	"Synthetic organic"	""	""	""	""	"135649960"	"135529391"	""	""	""	""	""	""	""	"N-[(5Z)-5-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-1-methyl-2H-pyrazol-3-yl]-2-[4-(phenylmethoxy)phenyl]acetamide"	""	"AS 16|AS-16"	"CCCn1c2=N/C(=c\3/cc([nH]n3C)NC(=O)Cc3ccc(cc3)OCc3ccccc3)/N=c2c(=O)n(c1=O)CCC"	"ZRBMCMRRVYCKPT-VYIQYICTSA-N"	"InChI=1S/C30H33N7O4/c1-4-15-36-28-26(29(39)37(16-5-2)30(36)40)32-27(33-28)23-18-24(34-35(23)3)31-25(38)17-20-11-13-22(14-12-20)41-19-21-9-7-6-8-10-21/h6-14,18,34H,4-5,15-17,19H2,1-3H3,(H,31,38)/b27-23-"	""	""	""
"8433"	"AS-19"	""	"Synthetic organic"	""	""	""	""	"252166643"	"23642275"	""	""	"CHEMBL2164327"	""	""	""	""	"(2S)-N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine"	""	"AS 19|AS19"	"CN([C@H]1CCc2c(C1)cccc2c1c(C)nn(c1C)C)C"	"BTTOYOKCLDAHHO-HNNXBMFYSA-N"	"InChI=1S/C18H25N3/c1-12-18(13(2)21(5)19-12)17-8-6-7-14-11-15(20(3)4)9-10-16(14)17/h6-8,15H,9-11H2,1-5H3/t15-/m0/s1"	""	""	""
"5723"	"AS1907417"	""	"Synthetic organic"	""	""	""	""	"178102349"	"11567371"	""	""	""	""	""	""	""	"4-[1-(2-cyclobutyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperidin-4-yl]butanoic acid"	""	"AS 1907417|AS-1907417"	"OC(=O)CCCC1CCN(CC1)c1nc(nc2c1CS(=O)(=O)C2)C1CCC1"	"NFFANIJTECFGGM-UHFFFAOYSA-N"	"InChI=1S/C19H27N3O4S/c23-17(24)6-1-3-13-7-9-22(10-8-13)19-15-11-27(25,26)12-16(15)20-18(21-19)14-4-2-5-14/h13-14H,1-12H2,(H,23,24)"	""	""	""
"8878"	"AS1949490"	""	"Synthetic organic"	""	""	""	""	"252827535"	"44473434"	""	""	"CHEMBL2337806"	""	""	""	""	"3-[(4-chlorophenyl)methoxy]-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide"	""	"AS 1949490|AS-1949490"	"Clc1ccc(cc1)COc1ccsc1C(=O)N[C@H](c1ccccc1)C"	"RFZPGNRLOKVZJY-AWEZNQCLSA-N"	"InChI=1S/C20H18ClNO2S/c1-14(16-5-3-2-4-6-16)22-20(23)19-18(11-12-25-19)24-13-15-7-9-17(21)10-8-15/h2-12,14H,13H2,1H3,(H,22,23)/t14-/m0/s1"	""	""	""
"10578"	"AS-252424"	""	"Synthetic organic"	""	""	""	""	"404859025"	"11630874"	""	""	"CHEMBL379156"	""	""	""	""	"(5Z)-5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione"	""	"AS252424|compound 26 [PMID: 16789742]"	"O=C1S/C(=C\c2ccc(o2)c2ccc(cc2O)F)/C(=O)N1"	"OYYVWNDMOQPMGE-SDQBBNPISA-N"	"InChI=1S/C14H8FNO4S/c15-7-1-3-9(10(17)5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-"	"yes"	""	""
"10230"	"AS2717638"	""	"Synthetic organic"	""	""	""	""	"381744912"	"137333453"	""	""	""	""	""	""	""	"6,7-dimethoxy-2-(5-methyl-1,2-benzoxazol-3-yl)-4-(piperidin-1-ylcarbonyl)isoquinolin-1(2H)-one"	""	""	"COc1cc2c(cc1OC)c(cn(c2=O)c1noc2c1cc(C)cc2)C(=O)N1CCCCC1"	"QRMYHYZQUGJBBX-UHFFFAOYSA-N"	"InChI=1S/C25H25N3O5/c1-15-7-8-20-18(11-15)23(26-33-20)28-14-19(24(29)27-9-5-4-6-10-27)16-12-21(31-2)22(32-3)13-17(16)25(28)30/h7-8,11-14H,4-6,9-10H2,1-3H3"	""	""	""
"11075"	"AS3334034"	""	"Synthetic organic"	""	""	""	""	"434122136"	"152237519"	""	""	""	""	""	""	""	"7-methoxy-6-(2-methylpropane-2-sulfonyl)-N-(4-methyl-1H-pyrazol-3-yl)quinolin-4-amine"	""	""	"COc1cc2nccc(c2cc1S(=O)(=O)C(C)(C)C)Nc1n[nH]cc1C"	"WCPMUQAUSFXFJE-UHFFFAOYSA-N"	"InChI=1S/C18H22N4O3S/c1-11-10-20-22-17(11)21-13-6-7-19-14-9-15(25-5)16(8-12(13)14)26(23,24)18(2,3)4/h6-10H,1-5H3,(H2,19,20,21,22)"	""	""	""
"11074"	"AS408"	""	"Synthetic organic"	""	""	""	""	"434122135"	"145998261"	""	""	""	""	""	""	""	"6-bromo-2-N-phenylquinazoline-2,4-diamine"	""	""	"Brc1ccc2c(c1)c(N)nc(n2)Nc1ccccc1"	"MPGNABXYXOGUGH-UHFFFAOYSA-N"	"InChI=1S/C14H11BrN4/c15-9-6-7-12-11(8-9)13(16)19-14(18-12)17-10-4-2-1-3-5-10/h1-8H,(H3,16,17,18,19)"	""	""	""
"3424"	"AS604872"	""	"Synthetic organic"	""	""	""	""	"178100429"	"10152528"	""	""	""	""	""	""	""	"(2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl-pyridin-2-ylmethyl]-1,3-thiazolidine-2-carboxamide"	""	"AS 604872|AS-604872"	"O=C([C@@H]1SCCN1S(=O)(=O)c1ccc(cc1)c1ccccc1)N[C@@H](c1ccccn1)c1ccccc1"	"LSSZZFZFFKZTCL-IAPPQJPRSA-N"	"InChI=1S/C28H25N3O3S2/c32-27(30-26(23-11-5-2-6-12-23)25-13-7-8-18-29-25)28-31(19-20-35-28)36(33,34)24-16-14-22(15-17-24)21-9-3-1-4-10-21/h1-18,26,28H,19-20H2,(H,30,32)/t26-,28+/m1/s1"	""	""	""
"382"	"AS70"	""	"Synthetic organic"	""	""	""	""	"135649961"	"135443367"	""	""	"CHEMBL33455"	""	""	""	""	"8-{1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-1H-pyrazol-5-yl}-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione"	""	"AS 70|AS-70"	"CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1"	"BVHLYIIHYJFKSI-UHFFFAOYSA-N"	"InChI=1S/C27H34N8O4/c1-4-11-34-25-23(26(37)35(12-5-2)27(34)38)28-24(29-25)20-17-21(30-31(20)3)39-18-22(36)33-15-13-32(14-16-33)19-9-7-6-8-10-19/h6-10,17H,4-5,11-16,18H2,1-3H3,(H,28,29)"	""	""	""
"439"	"AS74"	""	"Synthetic organic"	""	""	""	""	"135649962"	"135465785"	""	""	""	""	""	""	""	"N-(1,3-benzodioxol-5-yl)-2-[[(5Z)-5-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-2H-1,2-oxazol-3-yl]oxy]acetamide"	""	"AS 74|AS-74"	"CCCn1c2=N/C(=c/3\o[nH]c(c3)OCC(=O)Nc3ccc4c(c3)OCO4)/N=c2c(=O)n(c1=O)CCC"	"JQHDVLXCXBJLFV-SILNSSARSA-N"	"InChI=1S/C23H24N6O7/c1-3-7-28-21-19(22(31)29(8-4-2)23(28)32)25-20(26-21)16-10-18(27-36-16)33-11-17(30)24-13-5-6-14-15(9-13)35-12-34-14/h5-6,9-10,27H,3-4,7-8,11-12H2,1-2H3,(H,24,30)/b20-16-"	""	""	""
"440"	"AS94"	""	"Synthetic organic"	""	""	""	""	"135649963"	"135529386"	""	""	""	""	""	""	""	"ethyl 4-[[2-[[(5Z)-5-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-1-methyl-2H-pyrazol-3-yl]oxy]acetyl]amino]benzoate"	""	"AS 94|AS-94"	"CCOC(=O)c1ccc(cc1)NC(=O)COc1c/c(=C\2/N=c3c(=N2)c(=O)n(c(=O)n3CCC)CCC)/n([nH]1)C"	"ZGYHEWXZOUTFGG-PYCFMQQDSA-N"	"InChI=1S/C26H31N7O6/c1-5-12-32-23-21(24(35)33(13-6-2)26(32)37)28-22(29-23)18-14-20(30-31(18)4)39-15-19(34)27-17-10-8-16(9-11-17)25(36)38-7-3/h8-11,14,30H,5-7,12-13,15H2,1-4H3,(H,27,34)/b22-18-"	""	""	""
"441"	"AS95"	""	"Synthetic organic"	""	""	""	""	"135649964"	"135443359"	""	""	""	""	""	""	""	"4-[[2-[[(5Z)-5-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-1-methyl-2H-pyrazol-3-yl]oxy]acetyl]amino]benzoic acid"	""	"AS 95|AS-95"	"CCCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)Nc3ccc(cc3)C(=O)O)/N=c2c(=O)n(c1=O)CCC"	"GZUUJTYJVPFFTI-SILNSSARSA-N"	"InChI=1S/C24H27N7O6/c1-4-10-30-21-19(22(33)31(11-5-2)24(30)36)26-20(27-21)16-12-18(28-29(16)3)37-13-17(32)25-15-8-6-14(7-9-15)23(34)35/h6-9,12,28H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,34,35)/b20-16-"	""	""	""
"442"	"AS96"	""	"Synthetic organic"	""	""	""	""	"135649965"	"135416058"	""	""	""	""	""	""	""	"(8Z)-8-[2-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-1H-pyrazol-3-ylidene]-1,3-di(prop-2-enyl)purine-2,6-dione"	""	"AS 96|AS-96"	"C=CCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)N3CCN(CC3)c3ccccc3)/N=c2c(=O)n(c1=O)CC=C"	"ZGPHNPBSZODLNU-GFMRDNFCSA-N"	"InChI=1S/C27H30N8O4/c1-4-11-34-25-23(26(37)35(12-5-2)27(34)38)28-24(29-25)20-17-21(30-31(20)3)39-18-22(36)33-15-13-32(14-16-33)19-9-7-6-8-10-19/h4-10,17,30H,1-2,11-16,18H2,3H3/b24-20-"	""	""	""
"383"	"AS99"	""	"Synthetic organic"	""	""	""	""	"135649966"	"135522368"	""	""	"CHEMBL33491"	""	""	""	""	"N-(3,4-dimethylphenyl)-2-{[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}acetamide"	""	"AS 99|AS-99"	"CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)C)C"	"FCMUQGWJTIVYIU-UHFFFAOYSA-N"	"InChI=1S/C25H31N7O4/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)18-13-20(29-30(18)5)36-14-19(33)26-17-9-8-15(3)16(4)12-17/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)"	""	""	""
"13201"	"asandeutertinib"	""	"Synthetic organic"	""	""	""	""	"491299983"	"87056175"	""	""	""	""	""	""	""	"N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide"	"asandeutertinib"	"Embodiment 3A [US10414756]"	"[2H]C([2H])([2H])N1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC"	"DUYJMQONPNNFPI-VPYROQPTSA-N"	"InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)/i5D3"	""	""	""
"13895"	"ASAP-0017445"	""	"Synthetic organic"	""	""	""	""	"513757580"	"175670502"	""	""	""	""	""	""	""	"(4S,4'S)-6-chloro-1'-(isoquinolin-4-yl)-2-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-4'-{[(propan-2-yl)amino]methyl}-2,3-dihydro-1H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2'-dione"	""	"AS-0017445|example 1 [WO2025125695]"	"CC(C)NC[C@H]1CN(C(=O)[C@@]12CN(CC3=CN(C)N=N3)C(=O)C4=CC=C(Cl)C=C24)C5=CN=CC6=C5C=CC=C6"	"NZHXQVFUBRNCET-WRONEBCDSA-N"	"InChI=1S/C29H30ClN7O2/c1-18(2)32-12-20-14-37(26-13-31-11-19-6-4-5-7-23(19)26)28(39)29(20)17-36(16-22-15-35(3)34-33-22)27(38)24-9-8-21(30)10-25(24)29/h4-11,13,15,18,20,32H,12,14,16-17H2,1-3H3/t20-,29-/m0/s1"	""	""	""
"11951"	"asapiprant"	""	"Synthetic organic"	""	""	""	""	"461663506"	"59232326"	""	""	"CHEMBL3545043"	""	""	""	""	""	"asapiprant"	"BGE-175|BGE175|example II-74 [US8153793B2]|S-555739"	"CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cc(c(cc1)c1ncco1)OCC(=O)O"	"ZMZNWNTZRWXTJU-UHFFFAOYSA-N"	"InChI=1S/C24H27N3O7S/c1-17(2)34-19-4-6-20(7-5-19)35(30,31)27-12-10-26(11-13-27)18-3-8-21(24-25-9-14-32-24)22(15-18)33-16-23(28)29/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,28,29)"	"yes"	""	""
"12564"	"ASC06-IgG1"	""	"Antibody"	""	""	""	""	"479821354"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8962"	"asciminib"	""	"Synthetic organic"	"yes"	""	""	""	"310264743"	"72165228"	""	""	""	""	""	""	""	"N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide"	"asciminib"	"ABL-001|ABL001|compound 1 [PMID: 30137981]|Example 9|Scemblix&reg;"	"O[C@@H]1CCN(C1)c1ncc(cc1c1ccn[nH]1)C(=O)Nc1ccc(cc1)OC(Cl)(F)F"	"VOVZXURTCKPRDQ-CQSZACIVSA-N"	"InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1"	""	""	""
"14670"	"asedebart"	""	"Antibody"	""	""	""	""	"530846918"	"0"	""	""	""	""	""	""	""	""	"asedebart"	"Lu AG13909|Lu-AG13909"	""	""	""	""	""	""
"22"	"asenapine"	""	"Synthetic organic"	"yes"	""	""	""	"135650779"	"163091"	""	""	"CHEMBL504548"	""	""	""	""	"(2S,6S)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.0^{2,6}.0^{7,12}]octadeca-1(18),7,9,11,14,16-hexaene"	"asenapine"	"ORG-5222|ORG5222|Saphris&reg;|Secuado&reg; (transdermal asenapine)|Sycrest&reg;"	"Clc1ccc2c(c1)[C@H]1CN(C[C@@H]1c1c(O2)cccc1)C"	"VSWBSWWIRNCQIJ-HUUCEWRRSA-N"	"InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m1/s1"	""	""	""
"13202"	"asengeprast"	""	"Synthetic organic"	""	""	""	""	"491299984"	"23648966"	""	""	"CHEMBL1075834"	""	""	""	""	"2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid"	"asengeprast"	"example 27 [WO2018144620]|FT-011|FT011|SHP-627"	"COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OCC#C"	"UIWZIDIJCUEOMT-PKNBQFBNSA-N"	"InChI=1S/C20H17NO5/c1-3-12-26-17-10-8-14(13-18(17)25-2)9-11-19(22)21-16-7-5-4-6-15(16)20(23)24/h1,4-11,13H,12H2,2H3,(H,21,22)(H,23,24)/b11-9+"	""	""	""
"14309"	"ASF24"	""	"Synthetic organic"	""	""	""	""	"523352101"	"177924584"	""	""	""	""	""	""	""	""	""	"ASF-24"	"[O-][N+](=O)C1=CC=C(O1)C(=N)NCCC[C@H](N2C=C(N=N2)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)NCC5=CC=CC=C5"	"QMUVTATYSGAUKW-MHZLTWQESA-N"	"InChI=1S/C31H29N7O4/c32-30(28-17-18-29(42-28)38(40)41)33-19-7-12-27(31(39)34-20-22-8-3-1-4-9-22)37-21-26(35-36-37)25-15-13-24(14-16-25)23-10-5-2-6-11-23/h1-6,8-11,13-18,21,27H,7,12,19-20H2,(H2,32,33)(H,34,39)/t27-/m0/s1"	"yes"	""	""
"9279"	"asimadoline"	""	"Synthetic organic"	""	""	""	""	"318164798"	"179340"	""	""	"CHEMBL1190199"	""	""	""	""	"N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2,2-di(phenyl)acetamide"	"asimadoline"	"EMD 61 753|EMD 61753|EMD-61753"	"O[C@H]1CCN(C1)C[C@@H](N(C(=O)C(c1ccccc1)c1ccccc1)C)c1ccccc1"	"JHLHNYVMZCADTC-LOSJGSFVSA-N"	"InChI=1S/C27H30N2O2/c1-28(25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29)27(31)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26,30H,17-20H2,1H3/t24-,25+/m0/s1"	"yes"	""	""
"1327"	"ASIP [90-132 (L89Y)]"	""	"Peptide"	""	""	""	""	"135652000"	"0"	""	""	""	""	""	""	""	""	""	"agouti-signaling protein [90-132 (L89Y)]|agouti-signaling protein[90-132 (L89Y)]"	""	""	""	""	""	""
"9621"	"asivatrep"	""	"Synthetic organic"	""	""	""	""	"340590251"	"56649347"	""	""	"CHEMBL3707398"	""	""	""	""	"(E)-N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-propyl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide"	"asivatrep"	"Example 230 [US7858621]|PAC-14028"	"CCCc1nc(ccc1/C=C/C(=O)N[C@@H](c1cc(F)c(c(c1)F)NS(=O)(=O)C)C)C(F)(F)F"	"UKGJZDSUJSPAJL-YPUOHESYSA-N"	"InChI=1S/C21H22F5N3O3S/c1-4-5-17-13(6-8-18(28-17)21(24,25)26)7-9-19(30)27-12(2)14-10-15(22)20(16(23)11-14)29-33(3,31)32/h6-12,29H,4-5H2,1-3H3,(H,27,30)/b9-7+/t12-/m1/s1"	"yes"	""	""
"5517"	"ASN02563583"	""	"Synthetic organic"	""	""	""	""	"178102160"	"3167869"	""	""	""	""	""	""	""	"2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide"	""	"ASN 02563583|ASN-02563583"	"COc1ccc(cc1)n1c(nnc1c1ccccc1OC)SC(C(=O)Nc1ccccc1)C"	"KGGHSILNBGUJEN-UHFFFAOYSA-N"	"InChI=1S/C25H24N4O3S/c1-17(24(30)26-18-9-5-4-6-10-18)33-25-28-27-23(21-11-7-8-12-22(21)32-3)29(25)19-13-15-20(31-2)16-14-19/h4-17H,1-3H3,(H,26,30)"	""	""	""
"5518"	"ASN04421891"	""	"Synthetic organic"	""	""	""	""	"178102161"	"3187704"	""	""	""	""	""	""	""	"6-methoxy-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-phenylethyl-(phenylmethyl)amino)methyl]-1H-quinolin-2-one"	""	"ASN 04421891|ASN-04421891"	"COCCn1nnnc1C(c1cc2cc(OC)ccc2[nH]c1=O)N(Cc1ccccc1)CCc1ccccc1"	"JKKKHIBCTKIWFJ-UHFFFAOYSA-N"	"InChI=1S/C30H32N6O3/c1-38-18-17-36-29(32-33-34-36)28(26-20-24-19-25(39-2)13-14-27(24)31-30(26)37)35(21-23-11-7-4-8-12-23)16-15-22-9-5-3-6-10-22/h3-14,19-20,28H,15-18,21H2,1-2H3,(H,31,37)"	""	""	""
"5519"	"ASN04450772"	""	"Synthetic organic"	""	""	""	""	"178102162"	"3188786"	""	""	"CHEMBL1466483"	""	""	""	""	"4-amino-N'-(furan-2-ylmethyl)-N'-[1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide"	""	"ASN 04450772|ASN-04450772"	"COc1ccc(cc1)CNC(=O)C(N(C(=O)c1snc(c1N)C(=O)N)Cc1ccco1)c1ccc(cc1)O"	"TVONKIFIPYRNRD-UHFFFAOYSA-N"	"InChI=1S/C26H25N5O6S/c1-36-18-10-4-15(5-11-18)13-29-25(34)22(16-6-8-17(32)9-7-16)31(14-19-3-2-12-37-19)26(35)23-20(27)21(24(28)33)30-38-23/h2-12,22,32H,13-14,27H2,1H3,(H2,28,33)(H,29,34)"	""	""	""
"5520"	"ASN04885796"	""	"Synthetic organic"	""	""	""	""	"178102163"	"3191600"	""	""	""	""	""	""	""	"2-[[2-(benzotriazol-1-yl)acetyl]-(4-methoxyphenyl)amino]-2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide"	""	"ASN 04885796|ASN-04885796"	"COc1ccc(cc1)N(C(c1ccc(cc1)F)C(=O)NCC1CCCO1)C(=O)Cn1nnc2c1cccc2"	"HIWKGPKZDUQDKF-UHFFFAOYSA-N"	"InChI=1S/C28H28FN5O4/c1-37-22-14-12-21(13-15-22)34(26(35)18-33-25-7-3-2-6-24(25)31-32-33)27(19-8-10-20(29)11-9-19)28(36)30-17-23-5-4-16-38-23/h2-3,6-15,23,27H,4-5,16-18H2,1H3,(H,30,36)"	""	""	""
"5524"	"ASN06917370"	""	"Synthetic organic"	""	""	""	""	"178102167"	"135439060"	""	""	""	""	""	""	""	""	""	"ASN 06917370|ASN-06917370"	"O=C(N1CCC(CC1)c1nc(=O)c2c([nH]1)n(nn2)Cc1ccccc1Cl)Nc1ccc(cc1)C(F)(F)F"	"SKWHAHNDWJREJG-UHFFFAOYSA-N"	"InChI=1S/C24H21ClF3N7O2/c25-18-4-2-1-3-15(18)13-35-21-19(32-33-35)22(36)31-20(30-21)14-9-11-34(12-10-14)23(37)29-17-7-5-16(6-8-17)24(26,27)28/h1-8,14H,9-13H2,(H,29,37)(H,30,31,36)"	""	""	""
"12074"	"asnuciclib"	""	"Synthetic organic"	""	""	""	""	"472319196"	"71561915"	""	""	"CHEMBL2347597"	""	""	""	""	"3-[[5-fluoro-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide"	"asnuciclib"	"CDKI-73|compound 12e [PMID: 23301767]|LS-007"	"Cc1c(sc(n1)NC)c1nc(ncc1F)Nc1cc(ccc1)S(=O)(=O)N"	"GAIOPWBQKZMUNO-UHFFFAOYSA-N"	"InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)"	""	""	""
"2883"	"asoprisnil"	""	"Synthetic organic"	""	""	""	""	"135649967"	"9577221"	""	""	"CHEMBL267431"	""	""	""	""	"(8S,11R,13S,14S,17S)-11-[4-[(E)-hydroxyiminomethyl]phenyl]-17-methoxy-17-(methoxymethyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one"	"asoprisnil"	"J-867|J867"	"COC[C@]1(OC)CC[C@@H]2[C@]1(C)C[C@H](c1ccc(cc1)/C=N/O)C1=C3CCC(=O)C=C3CC[C@@H]21"	"GJMNAFGEUJBOCE-MEQIQULJSA-N"	"InChI=1S/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,16,23-25,31H,8-13,15,17H2,1-3H3/b29-16+/t23-,24+,25-,27-,28+/m0/s1"	""	""	""
"12646"	"ASP-0819"	""	"Synthetic organic"	""	""	""	""	"483123194"	"86291498"	""	""	""	""	""	""	""	"5-(6-chloro-2-methyl-1-benzothiophen-3-yl)-2-[(2R)-2-[(cyclobutylamino)methyl]morpholin-4-yl]benzoic acid"	""	"ASP0819|Example 10 [WO2014196644A1]"	"CC1=C(C2=C(S1)C=C(Cl)C=C2)C3=CC=C(N4CCO[C@H](CNC5CCC5)C4)C(=C3)C(O)=O"	"IOWRHVVSRLGDKK-LJQANCHMSA-N"	"InChI=1S/C25H27ClN2O3S/c1-15-24(20-7-6-17(26)12-23(20)32-15)16-5-8-22(21(11-16)25(29)30)28-9-10-31-19(14-28)13-27-18-3-2-4-18/h5-8,11-12,18-19,27H,2-4,9-10,13-14H2,1H3,(H,29,30)/t19-/m1/s1"	""	""	""
"11839"	"ASP2453"	""	"Synthetic organic"	""	""	""	""	"461663395"	"162679534"	""	""	""	""	""	""	""	"1-[7-(6-cyclopropyl-2-{[4-(3-methoxypropyl)cyclohexyl]oxy}-7-(5-methyl-1H-indazol-4-yl)-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]prop-2-en-1-one"	""	""	"COCCCC1CCC(CC1)Oc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(C3CC3)c(c(OCC(F)(F)F)c2n1)c1c2cn[nH]c2ccc1C"	"YNLGBBXDUCMNPY-UHFFFAOYSA-N"	"InChI=1S/C41H49F3N6O4/c1-4-33(51)50-22-40(23-50)15-17-49(18-16-40)38-30-20-29(27-10-11-27)35(34-25(2)7-14-32-31(34)21-45-48-32)37(53-24-41(42,43)44)36(30)46-39(47-38)54-28-12-8-26(9-13-28)6-5-19-52-3/h4,7,14,20-21,26-28H,1,5-6,8-13,15-19,22-24H2,2-3H3,(H,45,48)"	""	""	""
"11296"	"ASP2535"	""	"Synthetic organic"	""	""	""	""	"434321731"	"9800113"	""	""	"CHEMBL4303475"	""	""	""	""	"4-[3-(6-phenylpyridin-3-yl)-5-propan-2-yl-1,2,4-triazol-4-yl]-2,1,3-benzoxadiazole"	""	"ASP 2535|ASP-2535"	"CC(c1nnc(n1c1cccc2c1non2)c1ccc(nc1)c1ccccc1)C"	"FQGLDGKVKDPVLO-UHFFFAOYSA-N"	"InChI=1S/C22H18N6O/c1-14(2)21-24-25-22(28(21)19-10-6-9-18-20(19)27-29-26-18)16-11-12-17(23-13-16)15-7-4-3-5-8-15/h3-14H,1-2H3"	""	""	""
"7740"	"ASP-3026"	""	"Synthetic organic"	""	""	""	""	"223366073"	"25134326"	""	""	""	""	""	""	""	"2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine"	""	"ASP 3026|ASP3026"	"COc1cc(ccc1Nc1ncnc(n1)Nc1ccccc1S(=O)(=O)C(C)C)N1CCC(CC1)N1CCN(CC1)C"	"MGGBYMDAPCCKCT-UHFFFAOYSA-N"	"InChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)"	""	""	""
"9569"	"ASP4058"	""	"Synthetic organic"	""	""	""	""	"336446955"	"16755143"	""	""	""	""	""	""	""	"5-(5-(3-(Trifluoromethyl)-4-(((2S)-1,1,1-trifluoropropan-2-yl)oxy)phenyl)-1,2,4-oxadiazol-3-yl)-1H-benzimidazole"	""	"ASP-4058"	"C[C@@H](C(F)(F)F)Oc1ccc(cc1C(F)(F)F)c1onc(n1)c1ccc2c(c1)nc[nH]2"	"NJNXCJPSMWKXHO-VIFPVBQESA-N"	"InChI=1S/C19H12F6N4O2/c1-9(18(20,21)22)30-15-5-3-11(6-12(15)19(23,24)25)17-28-16(29-31-17)10-2-4-13-14(7-10)27-8-26-13/h2-9H,1H3,(H,26,27)/t9-/m0/s1"	"yes"	""	""
"11934"	"ASP5878"	""	"Synthetic organic"	""	""	""	""	"461663489"	"71736582"	""	""	"CHEMBL4594428"	""	""	""	""	"2-[4-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol"	""	"ASP-5878|compound 27 [PMID: 35219181]"	"COc1cc(c(c(c1F)COc1cnc(nc1)Nc1cn(nc1)CCO)F)OC"	"VDZZYOJYLLNBTD-UHFFFAOYSA-N"	"InChI=1S/C18H19F2N5O4/c1-27-14-5-15(28-2)17(20)13(16(14)19)10-29-12-7-21-18(22-8-12)24-11-6-23-25(9-11)3-4-26/h5-9,26H,3-4,10H2,1-2H3,(H,21,22,24)"	""	""	""
"10274"	"ASP7663"	""	"Synthetic organic"	""	""	""	""	"381744955"	"44232532"	""	""	"CHEMBL1082283"	""	""	""	""	"(2E)-2-[7-fluoro-1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetic acid"	""	"ASP 7663|ASP-7663"	"CC(CN1C(=O)/C(=C/C(=O)O)/c2c1c(F)ccc2)C"	"RCVZUIGCNAAMIC-UXBLZVDNSA-N"	"InChI=1S/C14H14FNO3/c1-8(2)7-16-13-9(4-3-5-11(13)15)10(14(16)19)6-12(17)18/h3-6,8H,7H2,1-2H3,(H,17,18)/b10-6+"	""	""	""
"10248"	"ASP8477"	""	"Synthetic organic"	""	""	""	""	"381744930"	"15950844"	""	""	""	""	""	""	""	"pyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate"	""	""	"O=C(C1CCN(CC1)C(=O)Oc1cccnc1)Nc1ccccc1"	"PLCMZPFTMOAGOE-UHFFFAOYSA-N"	"InChI=1S/C18H19N3O3/c22-17(20-15-5-2-1-3-6-15)14-8-11-21(12-9-14)18(23)24-16-7-4-10-19-13-16/h1-7,10,13-14H,8-9,11-12H2,(H,20,22)"	""	""	""
"13899"	"aspartame"	""	"Peptide"	""	""	""	""	"513757584"	"134601"	""	""	"CHEMBL171679"	""	""	""	""	"(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid"	""	"Canderel&reg;|NutraSweet&reg;|SC18862"	"COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N"	"IAOZJIPTCAWIRG-QWRGUYRKSA-N"	"InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1"	""	""	""
"4139"	"aspirin"	""	"Synthetic organic"	"yes"	""	""	""	"178100961"	"2244"	""	""	"CHEMBL25"	""	""	""	""	"2-acetyloxybenzoic acid"	""	"Acetophen&reg;|acetylsalicylic acid|Aspirin&reg;"	"CC(=O)Oc1ccccc1C(=O)O"	"BSYNRYMUTXBXSQ-UHFFFAOYSA-N"	"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)"	"yes"	""	""
"3933"	"aspirin triggered lipoxin A4"	""	"Metabolite"	""	""	""	""	"135651445"	"9841438"	""	""	"CHEMBL402643"	""	""	""	""	"(5S,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid"	""	"aspirin triggered 15-epi lipoxin A4|aspirin-triggered lipoxin A<sub>4</sub>|ATL"	"CCCCC[C@H](/C=C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)O)O"	"IXAQOQZEOGMIQS-JEWNPAEBSA-N"	"InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18-,19+/m1/s1"	""	""	""
"6239"	"aspirin-triggered resolvin D1"	""	"Metabolite"	""	""	""	""	"178102860"	"16126783"	""	""	"CHEMBL519495"	""	""	""	""	"(4Z,7S,8R,9E,11E,13Z,15E,17R,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid"	""	"AT-Resolvin D1|AT-RvD1"	"CC/C=C\C[C@H](/C=C/C=C\C=C\C=C\[C@H]([C@H](C/C=C\CCC(=O)O)O)O)O"	"OIWTWACQMDFHJG-BJEBZIPWSA-N"	"InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20-,21+/m1/s1"	"yes"	""	""
"12293"	"aspoxicillin"	""	"Synthetic organic"	"yes"	""	""	""	"479821084"	"71961"	""	""	"CHEMBL1318150"	""	""	""	""	"(2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-amino-4-methylamino-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"aspoxicillin"	"Doyle&reg;|TA-058"	"CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c1ccc(cc1)O)NC(=O)[C@@H](CC(=O)NC)N)C(=O)O)C"	"BHELIUBJHYAEDK-OAIUPTLZSA-N"	"InChI=1S/C21H27N5O7S/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25-17(30)13(9-4-6-10(27)7-5-9)24-16(29)11(22)8-12(28)23-3/h4-7,11,13-15,19,27H,8,22H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,32,33)/t11-,13-,14-,15+,19-/m1/s1"	""	""	"yes"
"9200"	"asprosin"	"Human"	"Peptide"	""	""	""	""	"315661276"	"0"	"P35555"	"ENSG00000166147"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7369"	"ASS234"	""	"Synthetic organic"	""	""	""	""	"178103941"	"53378764"	""	""	"CHEMBL1929421"	""	""	""	""	"N-[[5-[3-(1-benzylpiperidin-4-yl)propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine"	""	""	"C#CCN(Cc1cc2c(n1C)ccc(c2)OCCCC1CCN(CC1)Cc1ccccc1)C"	"ADCBAOTWERXLAP-UHFFFAOYSA-N"	"InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3"	""	""	""
"5661"	"AST-487"	""	"Synthetic organic"	""	""	""	""	"178102289"	"11409972"	""	""	"CHEMBL574738"	""	""	""	""	"3-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-1-(4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)urea"	""	"AST 487|NVP-AST 487|NVP-AST487"	"CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)Nc1ccc(cc1)Oc1ncnc(c1)NC"	"ODPGGGTTYSGTGO-UHFFFAOYSA-N"	"InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)"	""	""	""
"2603"	"astemizole"	""	"Synthetic organic"	"yes"	"yes"	""	""	"135649968"	"2247"	""	""	"CHEMBL296419"	""	""	""	""	"1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine"	"astemizole"	"Hismanal&reg;"	"COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2"	"GXDALQBWZGODGZ-UHFFFAOYSA-N"	"InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)"	""	""	""
"925"	"astressin"	""	"Peptide"	""	""	""	""	"135652001"	"16133798"	""	""	""	""	""	""	""	""	""	""	"CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C)Cc1nc[nH]c1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)[C@H](CC)C)CCC(=O)O)CCCC)CC(C)C)CCCCN)CCCNC(=N)N)CC(=O)N)CCC(=O)N)C)CC(C)C)CCC(=O)N)CCC(=O)O)C)CCCNC(=N)N)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)N)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCNC(=N)N)CCC(=O)O)CC(C)C)CCC(=O)O"	"HPYIIXJJVYSMCV-MGDXKYBTSA-N"	"InChI=1S/C161H269N49O42/c1-23-27-41-96(189-145(239)107(52-59-123(217)218)199-152(246)114(71-84(13)14)207-157(251)126(85(15)16)208-147(241)108(53-60-124(219)220)197-140(234)102(47-38-66-179-161(172)173)193-151(245)112(69-82(9)10)204-153(247)113(70-83(11)12)205-155(249)116(74-94-77-175-79-181-94)201-134(228)95(163)72-92-39-30-29-31-40-92)135(229)182-88(19)130(224)186-100(45-36-64-177-159(168)169)136(230)183-89(20)131(225)188-106(51-58-122(215)216)144(238)195-104(49-56-119(165)212)146(240)202-110(67-80(5)6)149(243)185-90(21)132(226)187-103(48-55-118(164)211)143(237)196-105-50-57-121(214)176-63-35-33-44-99(192-154(248)115(73-93-76-174-78-180-93)200-133(227)91(22)184-137(105)231)142(236)206-117(75-120(166)213)156(250)194-101(46-37-65-178-160(170)171)139(233)190-98(43-32-34-62-162)141(235)203-111(68-81(7)8)150(244)191-97(42-28-24-2)138(232)198-109(54-61-125(221)222)148(242)210-128(87(18)26-4)158(252)209-127(129(167)223)86(17)25-3/h29-31,39-40,76-91,95-117,126-128H,23-28,32-38,41-75,162-163H2,1-22H3,(H2,164,211)(H2,165,212)(H2,166,213)(H2,167,223)(H,174,180)(H,175,181)(H,176,214)(H,182,229)(H,183,230)(H,184,231)(H,185,243)(H,186,224)(H,187,226)(H,188,225)(H,189,239)(H,190,233)(H,191,244)(H,192,248)(H,193,245)(H,194,250)(H,195,238)(H,196,237)(H,197,234)(H,198,232)(H,199,246)(H,200,227)(H,201,228)(H,202,240)(H,203,235)(H,204,247)(H,205,249)(H,206,236)(H,207,251)(H,208,241)(H,209,252)(H,210,242)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H4,168,169,177)(H4,170,171,178)(H4,172,173,179)/t86-,87-,88-,89-,90-,91-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,126-,127-,128-/m0/s1"	""	""	""
"10335"	"astressin 2B"	""	"Peptide"	""	""	""	""	"381745016"	"90488758"	""	""	""	""	""	""	""	""	""	"Astressin2-B|astressin<sub>2</sub>-B|cyclo(31-34)[DPhe(11),His(12),C(alpha)MeLeu(13,39),Nle(17),Glu(31),Lys(34)]Ac-sauvagine(8-40)|peptide 20 [PMID: 12361401]"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)N)CC(=O)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)(CC(C)C)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)C)CCC(=O)N)CCC(=O)N)CCCCN)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(=O)O)CC(C)C)CO)Cc1ccccc1)Cc1c[nH]cn1)(CC(C)C)C)CC(C)C)CCCNC(=N)N)CCCCN)CCCC)CCC(=O)O)CCC(=O)O)CCCCN)CCC(=O)N)CCC(=O)O"	"IVIBPRHVUKMKSX-YJHXGIRISA-N"	"InChI=1S/C183H307N49O53/c1-26-30-47-106(203-151(256)107(48-34-39-70-184)204-155(260)112(53-44-75-198-181(194)195)209-169(274)125(80-96(13)14)227-179(284)182(24,87-97(15)16)231-175(280)127(82-105-89-196-91-199-105)222-170(275)126(81-104-45-32-31-33-46-104)221-174(279)132(90-233)226-168(273)124(79-95(11)12)220-173(278)130(85-143(249)250)201-103(23)234)163(268)228-146(100(20)28-3)178(283)216-120(61-69-142(247)248)164(269)229-147(101(21)29-4)177(282)215-119(60-68-141(245)246)161(266)207-109(50-36-41-72-186)153(258)212-115(56-64-135(190)237)158(263)214-118(59-67-140(243)244)160(265)206-110(51-37-42-73-187)154(259)213-117(58-66-139(241)242)159(264)205-108(49-35-40-71-185)152(257)211-114(55-63-134(189)236)157(262)210-113(54-62-133(188)235)150(255)200-102(22)149(254)202-116-57-65-138(240)197-74-43-38-52-111(208-171(276)128(83-136(191)238)224-172(277)129(84-137(192)239)223-162(116)267)156(261)217-121(76-92(5)6)165(270)218-122(77-93(7)8)166(271)219-123(78-94(9)10)167(272)225-131(86-144(251)252)176(281)232-183(25,88-98(17)18)180(285)230-145(148(193)253)99(19)27-2/h31-33,45-46,89,91-102,106-132,145-147,233H,26-30,34-44,47-88,90,184-187H2,1-25H3,(H2,188,235)(H2,189,236)(H2,190,237)(H2,191,238)(H2,192,239)(H2,193,253)(H,196,199)(H,197,240)(H,200,255)(H,201,234)(H,202,254)(H,203,256)(H,204,260)(H,205,264)(H,206,265)(H,207,266)(H,208,276)(H,209,274)(H,210,262)(H,211,257)(H,212,258)(H,213,259)(H,214,263)(H,215,282)(H,216,283)(H,217,261)(H,218,270)(H,219,271)(H,220,278)(H,221,279)(H,222,275)(H,223,267)(H,224,277)(H,225,272)(H,226,273)(H,227,284)(H,228,268)(H,229,269)(H,230,285)(H,231,280)(H,232,281)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H4,194,195,198)/t99-,100-,101-,102-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126+,127-,128-,129-,130-,131-,132-,145-,146-,147-,182+,183+/m0/s1"	""	""	""
"14542"	"ASTX295"	""	"Synthetic organic"	""	""	""	""	"528429863"	"135281467"	""	""	"CHEMBL5916606"	""	""	""	""	""	""	"ASTX-295|example 124 [US11236047]"	"O=C1C2=C(C(F)=CC([C@@](CC)(O)C3CCOCC3)=C2)[C@@](C4=CC=C(Cl)C=C4)(OC)N1[C@@H]([C@H](C)C(O)=O)C5=CC=C(Cl)C=C5"	"JDCHPEZNOKLHPK-KJEAJVGRSA-N"	"InChI=1S/C33H34Cl2FNO6/c1-4-32(41,21-13-15-43-16-14-21)23-17-26-28(27(36)18-23)33(42-3,22-7-11-25(35)12-8-22)37(30(26)38)29(19(2)31(39)40)20-5-9-24(34)10-6-20/h5-12,17-19,21,29,41H,4,13-16H2,1-3H3,(H,39,40)/t19-,29-,32-,33+/m0/s1"	""	""	""
"4852"	"[Asu7,23']&beta;-ANP-(7-28)"	""	"Peptide"	""	""	""	""	"178101553"	"0"	""	""	""	""	""	""	""	""	""	"[Asu7,23']-&beta;-ANP<sup>7-28</sup>"	""	""	""	""	""	""
"10882"	"asunaprevir"	""	"Synthetic organic"	"yes"	""	""	""	"405560323"	"16076883"	""	""	"CHEMBL2105735"	""	""	""	""	"tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yl)oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate"	"asunaprevir"	"BMS-650032|BMS650032|compound 24 [PMID: 24564672]|Sunvepra&trade;"	"C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)Oc1ncc(c2c1cc(Cl)cc2)OC)C(=O)NS(=O)(=O)C1CC1"	"XRWSZZJLZRKHHD-WVWIJVSJSA-N"	"InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1"	""	""	""
"11710"	"asundexian"	""	"Synthetic organic"	""	""	""	""	"442878736"	"135206011"	""	""	""	""	""	""	""	"4-[[(2S)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxopyridin-1-yl]butanoyl]amino]-2-fluorobenzamide"	"asundexian"	"BAY 2433334|BAY2433334|example 235 [WO2017005725A1]"	"O=C(Nc1cc(F)c(C(=O)N)cc1)[C@H](CC)n1cc(OC)c(cc1=O)c1cc(Cl)ccc1n1cc(C(F)(F)F)nn1"	"XYWIPYBIIRTJMM-IBGZPJMESA-N"	"InChI=1S/C26H21ClF4N6O4/c1-3-19(25(40)33-14-5-6-15(24(32)39)18(28)9-14)36-11-21(41-2)17(10-23(36)38)16-8-13(27)4-7-20(16)37-12-22(34-35-37)26(29,30)31/h4-12,19H,3H2,1-2H3,(H2,32,39)(H,33,40)/t19-/m0/s1"	""	""	""
"8870"	"AT-076"	""	"Synthetic organic"	""	""	""	""	"252827527"	"91938095"	""	""	""	""	""	""	""	"(3R)-7-hydroxy-N-[(2S)-1-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide"	""	""	"Oc1ccc2c(c1)CN[C@H](C2)C(=O)N[C@@H](C(C)C)CN1CCC(CC1)c1cccc(c1)O"	"LGYDWJJZDCXEOV-JWQCQUIFSA-N"	"InChI=1S/C26H35N3O3/c1-17(2)25(16-29-10-8-18(9-11-29)19-4-3-5-22(30)12-19)28-26(32)24-14-20-6-7-23(31)13-21(20)15-27-24/h3-7,12-13,17-18,24-25,27,30-31H,8-11,14-16H2,1-2H3,(H,28,32)/t24-,25-/m1/s1"	""	""	""
"14128"	"AT-121"	""	"Synthetic organic"	""	""	""	""	"518520755"	"129188444"	""	""	""	""	""	""	""	"3-oxo-1'-(4-propan-2-ylcyclohexyl)-2-[2-(sulfamoylamino)ethyl]spiro[1H-isoquinoline-4,4'-piperidine]"	""	"AT121|compound 5 [PMID: 30158150]"	"CC(C)C1CCC(CC1)N2CCC3(CC2)C4=CC=CC=C4CN(C3=O)CCNS(=O)(=O)N"	"LIZMNXKYQXVRSS-UHFFFAOYSA-N"	"InChI=1S/C24H38N4O3S/c1-18(2)19-7-9-21(10-8-19)27-14-11-24(12-15-27)22-6-4-3-5-20(22)17-28(23(24)29)16-13-26-32(25,30)31/h3-6,18-19,21,26H,7-17H2,1-2H3,(H2,25,30,31)"	""	""	""
"9020"	"AT38"	""	"Synthetic organic"	""	""	""	""	"315661105"	"46843548"	""	""	""	""	""	""	""	"(4-carbamoyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methyl 2-hydroxybenzoate"	""	"[3-(aminocarbonyl)furoxan-4-yl]methyl salicylate"	"O=C(c1ccccc1O)OCc1no[n+](c1C(=O)N)[O-]"	"YWHHKFGUOITYRD-UHFFFAOYSA-N"	"InChI=1S/C11H9N3O6/c12-10(16)9-7(13-20-14(9)18)5-19-11(17)6-3-1-2-4-8(6)15/h1-4,15H,5H2,(H2,12,16)"	"yes"	""	""
"9747"	"AT-403"	""	"Synthetic organic"	""	""	""	""	"354702220"	"132427684"	""	""	""	""	""	""	""	"2-(1-(1-((1s,4s)-4-isopropylcyclohexyl)piperidin-4-yl)-2-oxoindolin-3-yl)-N-methylacetamide"	""	""	"CNC(=O)CC1C(=O)N(c2c1cccc2)C1CCN(CC1)[C@@H]1CC[C@@H](CC1)C(C)C"	"IGSSUIQLZJANKJ-QIDMFYOTSA-N"	"InChI=1S/C25H37N3O2/c1-17(2)18-8-10-19(11-9-18)27-14-12-20(13-15-27)28-23-7-5-4-6-21(23)22(25(28)30)16-24(29)26-3/h4-7,17-20,22H,8-16H2,1-3H3,(H,26,29)/t18-,19+,22?"	""	""	""
"10261"	"AT-56"	""	"Synthetic organic"	""	""	""	""	"381744942"	"11741525"	""	""	""	""	""	""	""	"1-[4-(2H-tetrazol-5-yl)butyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine"	""	"AT56"	"C(CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1)CCc1n[nH]nn1"	"LQNGMDUIRLSESZ-UHFFFAOYSA-N"	"InChI=1S/C25H27N5/c1-3-9-22-19(7-1)12-13-20-8-2-4-10-23(20)25(22)21-14-17-30(18-15-21)16-6-5-11-24-26-28-29-27-24/h1-4,7-10,12-13H,5-6,11,14-18H2,(H,26,27,28,29)"	""	""	""
"5662"	"AT-7519"	""	"Synthetic organic"	""	""	""	""	"178102290"	"11338033"	""	""	"CHEMBL445813"	""	""	""	""	"4-[(2,6-dichlorobenzene)amido]-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide"	""	"AT 7519|AT7519"	"O=C(c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl)NC1CCNCC1"	"OVPNQJVDAFNBDN-UHFFFAOYSA-N"	"InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)"	""	""	""
"7949"	"AT-9283"	""	"Synthetic organic"	""	""	""	""	"249565632"	"135398495"	""	""	""	""	""	""	""	"1-cyclopropyl-3-[(3Z)-3-[5-(morpholin-4-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydropyrazol-4-yl]urea"	""	"AT 9283|AT9283"	"O=C(Nc1c[nH][nH]/c/1=C/1\N=c2c(=N1)ccc(c2)CN1CCOCC1)NC1CC1"	"VRXXZJLHPWWXIX-ZCXUNETKSA-N"	"InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13,20,25H,2-3,5-8,11H2,(H2,21,24,27)/b18-17-"	""	""	""
"9963"	"atabecestat"	""	"Synthetic organic"	""	""	""	""	"374883850"	"68254185"	""	""	""	""	""	""	""	"N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide"	"atabecestat"	"JNJ-54861911|JNJ-54861911-AAA|RSC-385896"	"N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@]1(C)C=CSC(=N1)N)F"	"VLLFGVHGKLDDLW-SFHVURJKSA-N"	"InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1"	""	""	""
"9517"	"atacicept"	""	"Peptide"	"yes"	""	""	""	"336446904"	"0"	""	""	""	""	""	""	""	""	"atacicept"	"atacicept-vymj|TACI-Fc|TACI-Ig|Trutakna&reg;"	""	""	""	"yes"	""	""
"5141"	"ataciguat"	""	"Synthetic organic"	""	""	""	""	"178101833"	"213037"	""	""	"CHEMBL2107729"	""	""	""	""	"5-chloro-2-(5-chlorothiophene-2-sulfonamido)-N-[4-(morpholine-4-sulfonyl)phenyl]benzamide"	"ataciguat"	""	"Clc1ccc(c(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)NS(=O)(=O)c1ccc(s1)Cl"	"PQHLRGARXNPFCF-UHFFFAOYSA-N"	"InChI=1S/C21H19Cl2N3O6S3/c22-14-1-6-18(25-34(28,29)20-8-7-19(23)33-20)17(13-14)21(27)24-15-2-4-16(5-3-15)35(30,31)26-9-11-32-12-10-26/h1-8,13,25H,9-12H2,(H,24,27)"	""	""	""
"7341"	"ataluren"	""	"Synthetic organic"	"yes"	""	""	""	"178103913"	"11219835"	""	""	"CHEMBL256997"	""	""	""	""	"3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid"	"ataluren"	"PTC124"	"Fc1ccccc1c1onc(n1)c1cccc(c1)C(=O)O"	"OOUGLTULBSNHNF-UHFFFAOYSA-N"	"InChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)"	""	""	""
"13118"	"atamparib"	""	"Synthetic organic"	""	""	""	""	"491299900"	"146047148"	""	""	"CHEMBL5095043"	""	""	""	""	"4-[[(2S)-1-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one"	"atamparib"	"RBN-2397|RBN2397"	"C[C@@H](COCCC(=O)N1CCN(CC1)C2=NC=C(C=N2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F"	"UQZCQKXJAXKZQH-LBPRGKRZSA-N"	"InChI=1S/C20H23F6N7O3/c1-12(30-14-10-29-31-17(35)16(14)20(24,25)26)11-36-7-2-15(34)32-3-5-33(6-4-32)18-27-8-13(9-28-18)19(21,22)23/h8-10,12H,2-7,11H2,1H3,(H2,30,31,35)/t12-/m0/s1"	""	""	""
"11138"	"atazanavir"	""	"Synthetic organic"	"yes"	""	""	""	"434122198"	"148192"	""	""	"CHEMBL1163"	""	""	""	""	"methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate"	"atazanavir"	"ATV|BMS-232632|CGP 73547|latazanavir|Reyataz&reg;|zrivada"	"COC(=O)N[C@@H](C(C)(C)C)C(=O)NN(Cc1ccc(cc1)c1ccccn1)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O"	"AXRYRYVKAWYZBR-GASGPIRDSA-N"	"InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1"	""	""	""
"1304"	"ATC0065"	""	"Synthetic organic"	""	""	""	""	"135649969"	"11238212"	""	""	""	""	""	""	""	""	""	"ATC 0065|ATC-0065"	"Brc1ccc(c(c1)OC(F)(F)F)CCN[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C"	"FWKVXHBRMCTKHZ-KDURUIRLSA-N"	"InChI=1S/C25H29BrF3N5O/c1-34(2)23-20-5-3-4-6-21(20)32-24(33-23)31-19-11-9-18(10-12-19)30-14-13-16-7-8-17(26)15-22(16)35-25(27,28)29/h3-8,15,18-19,30H,9-14H2,1-2H3,(H,31,32,33)/t18-,19+"	""	""	""
"1305"	"ATC0175"	""	"Synthetic organic"	""	""	""	""	"135649970"	"9934033"	""	""	"CHEMBL182150"	""	""	""	""	"N-(cis-4-{[4-(Dimethylamino)-2-quinazolinyl]amino}cyclohexyl)-3,4-difluorobenzamide"	""	"ATC 0175|ATC-0175"	"O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C"	"FAIMGWSOSCFGRU-IYBDPMFKSA-N"	"InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+"	""	""	""
"13733"	"atebimetinib"	""	"Synthetic organic"	""	""	""	""	"513757515"	"168111901"	""	""	""	""	""	""	""	"N-({4-[(dimethylamino)methyl]-3-({2-fluoro-3-[(methylsulfamoyl)amino]phenyl}methyl)-2-oxo-2H-chromen-7-yl}methyl)-N-methylcarbamate"	"atebimetinib"	"compound 9 [US20230119327A1]"	"CN(C)CC1=C(C(OC2=C1C=CC(=C2)CN(C([O-])=O)C)=O)CC3=C(C(=CC=C3)NS(NC)(=O)=O)F"	"QIMAJRSGTYJBIS-UHFFFAOYSA-M"	"InChI=1S/C23H27FN4O6S/c1-25-35(32,33)26-19-7-5-6-15(21(19)24)11-17-18(13-27(2)3)16-9-8-14(12-28(4)23(30)31)10-20(16)34-22(17)29/h5-10,25-26H,11-13H2,1-4H3,(H,30,31)/p-1"	""	""	""
"7682"	"atecegatran metoxil"	""	"Synthetic organic"	""	""	""	""	"223366017"	"9961205"	""	""	""	""	""	""	""	"(2S)-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]-N-[[4-(N'-methoxycarbamimidoyl)phenyl]methyl]azetidine-2-carboxamide"	"atecegatran metoxil"	"atecegatran fexenetil|AZD 0837|AZD-0837|AZD0837"	"CO/N=C(/c1ccc(cc1)CNC(=O)[C@@H]1CCN1C(=O)[C@@H](c1cc(Cl)cc(c1)OC(F)F)O)\N"	"XSNMGLZVFNDDPW-ZWKOTPCHSA-N"	"InChI=1S/C22H23ClF2N4O5/c1-33-28-19(26)13-4-2-12(3-5-13)11-27-20(31)17-6-7-29(17)21(32)18(30)14-8-15(23)10-16(9-14)34-22(24)25/h2-5,8-10,17-18,22,30H,6-7,11H2,1H3,(H2,26,28)(H,27,31)/t17-,18+/m0/s1"	""	""	""
"548"	"atenolol"	""	"Synthetic organic"	"yes"	""	""	""	"135649971"	"2249"	""	""	"CHEMBL24"	""	""	""	""	"2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide"	"atenolol"	"Myocord&reg;|Normiten&reg;|Tenormin&reg;"	"OC(COc1ccc(cc1)CC(=O)N)CNC(C)C"	"METKIMKYRPQLGS-UHFFFAOYSA-N"	"InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)"	""	""	""
"7990"	"atezolizumab"	""	"Antibody"	"yes"	""	""	""	"249565671"	"0"	""	""	""	""	""	""	""	""	"atezolizumab"	"MPDL3280A|Tecentriq&reg;"	""	""	""	"yes"	""	""
"9475"	"ATF936"	""	"Synthetic organic"	""	""	""	""	"329968415"	"10158373"	""	""	""	""	""	""	""	"1-(phenylmethyl)-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one"	""	"ATF-936|compound 10a [PMID: 20158186]"	"C#CCOc1ccc2c(c1)c(nc(=O)n2Cc1ccccc1)c1ccc(cc1)C(C)C"	"WXYYACUWOMKZQC-UHFFFAOYSA-N"	"InChI=1S/C27H24N2O2/c1-4-16-31-23-14-15-25-24(17-23)26(22-12-10-21(11-13-22)19(2)3)28-27(30)29(25)18-20-8-6-5-7-9-20/h1,5-15,17,19H,16,18H2,2-3H3"	""	""	""
"12995"	"atglistatin"	""	"Synthetic organic"	""	""	""	""	"485206116"	"71699712"	""	""	"CHEMBL3823931"	""	""	""	""	"3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea"	""	"compound 4 [PMID: 24096302]"	"CN(C)C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)N(C)C"	"AWOPBSAJHCUSAS-UHFFFAOYSA-N"	"InChI=1S/C17H21N3O/c1-19(2)16-10-8-13(9-11-16)14-6-5-7-15(12-14)18-17(21)20(3)4/h5-12H,1-4H3,(H,18,21)"	""	""	""
"12317"	"ATI-50001"	""	"Synthetic organic"	""	""	""	""	"479821108"	"23585272"	""	""	""	""	""	""	""	"3-[[2-(3,4,5-trimethoxyanilino)-7H-purin-6-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide"	""	"ATI-501|ATI50001|ATI501|example 103 [WO2007070872A1]"	"COc1cc(cc(c1OC)OC)Nc1nc2c(c(n1)NC1C3CC(C1C(=O)N)C=C3)[nH]cn2"	"NDUGGMXIZKDJRM-UHFFFAOYSA-N"	"InChI=1S/C22H25N7O4/c1-31-13-7-12(8-14(32-2)18(13)33-3)26-22-28-20-17(24-9-25-20)21(29-22)27-16-11-5-4-10(6-11)15(16)19(23)30/h4-5,7-11,15-16H,6H2,1-3H3,(H2,23,30)(H3,24,25,26,27,28,29)"	"yes"	""	""
"11326"	"atibuclimab"	""	"Antibody"	""	""	""	""	"434321761"	"0"	""	""	""	""	""	""	""	""	"atibuclimab"	"IC14"	""	""	""	"yes"	""	""
"9194"	"aticaprant"	""	"Synthetic organic"	""	""	""	""	"315661273"	"44129648"	""	""	"CHEMBL1921847"	""	""	""	""	"4-[4-[[(2S)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluorobenzamide"	"aticaprant"	"CERC-501|CERC501|JNJ-67953964|JNJ67953964|LY-2456302|LY2456302"	"Cc1cc(C)cc(c1)[C@@H]1CCCN1Cc1ccc(cc1)Oc1ccc(cc1F)C(=O)N"	"ZHPMYDSXGRRERG-DEOSSOPVSA-N"	"InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)/t24-/m0/s1"	""	""	""
"12576"	"atipamezole"	""	"Synthetic organic"	""	""	""	""	"479821366"	"71310"	""	""	"CHEMBL353972"	""	""	""	""	"5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole"	"atipamezole"	"MPV-1248"	"CCC1(CC2=CC=CC=C2C1)C3=CN=CN3"	"HSWPZIDYAHLZDD-UHFFFAOYSA-N"	"InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)"	""	""	""
"13485"	"atirmociclib"	""	"Synthetic organic"	""	""	""	""	"500839895"	"146219790"	""	""	"CHEMBL5187755"	""	""	""	""	"(3S,4R)-4-[[5-chloro-4-[7-fluoro-2-(2-hydroxypropan-2-yl)-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]oxan-3-ol"	"atirmociclib"	"example A94 (US20200354350)|PF-07220060|PF07220060"	"CC(C)N1C2=C(C(=CC(=C2)C3=NC(=NC=C3Cl)N[C@@H]4CCOC[C@H]4O)F)N=C1C(C)(C)O"	"QYJLBHRAPDJOSO-NVXWUHKLSA-N"	"InChI=1S/C22H27ClFN5O3/c1-11(2)29-16-8-12(7-14(24)19(16)27-20(29)22(3,4)31)18-13(23)9-25-21(28-18)26-15-5-6-32-10-17(15)30/h7-9,11,15,17,30-31H,5-6,10H2,1-4H3,(H,25,26,28)/t15-,17-/m1/s1"	""	""	""
"5616"	"ATL802"	""	"Synthetic organic"	""	""	""	""	"178102250"	"24780383"	""	""	""	""	""	""	""	"N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)pyridin-2-yl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide"	""	""	"CCCn1c2nc([nH]c2c(=O)n(c1=O)C1CC1)c1ccc(nc1)N(C(=O)c1ccc(nc1)C(F)(F)F)C"	"IKIXRBGOWUFFBN-UHFFFAOYSA-N"	"InChI=1S/C24H22F3N7O3/c1-3-10-33-20-18(22(36)34(23(33)37)15-6-7-15)30-19(31-20)13-5-9-17(29-11-13)32(2)21(35)14-4-8-16(28-12-14)24(25,26)27/h4-5,8-9,11-12,15H,3,6-7,10H2,1-2H3,(H,30,31)"	""	""	""
"3383"	"ATLa2"	""	"Synthetic organic"	""	""	""	""	"178100400"	"73755048"	""	""	""	""	""	""	""	"(5S,6R,7E,9E,11Z,13E,15S)-15-(4-fluorophenoxymethyl)-5,6-dihydroxyhexadeca-7,9,11,13-tetraenoic acid"	""	"ATL analog [15-epi-16-(para-fluoro)-phenoxy-LXA4]"	"OC(=O)CCC[C@@H]([C@@H](/C=C/C=C/C=C\C=C\[C@@H](COc1ccc(cc1)F)C)O)O"	"SGFIFYSIHRWSCE-LLXPRBAESA-N"	"InChI=1S/C23H29FO5/c1-18(17-29-20-15-13-19(24)14-16-20)9-6-4-2-3-5-7-10-21(25)22(26)11-8-12-23(27)28/h2-7,9-10,13-16,18,21-22,25-26H,8,11-12,17H2,1H3,(H,27,28)/b4-2-,5-3+,9-6+,10-7+/t18-,21+,22-/m0/s1"	""	""	""
"5929"	"ATM/ATR kinase inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102552"	"6605258"	""	""	"CHEMBL1221601"	""	""	""	""	"2,2-diphenyl-N-(2,2,2-trichloro-1-{[(4-fluoro-3-nitrophenyl)carbamothioyl]amino}ethyl)acetamide"	""	"CGK733"	"S=C(NC(C(Cl)(Cl)Cl)NC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(c(c1)[N+](=O)[O-])F"	"HLCDNLNLQNYZTK-UHFFFAOYSA-N"	"InChI=1S/C23H18Cl3FN4O3S/c24-23(25,26)21(30-22(35)28-16-11-12-17(27)18(13-16)31(33)34)29-20(32)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,21H,(H,29,32)(H2,28,30,35)"	""	""	""
"14587"	"ATN-161"	""	"Peptide"	""	""	""	""	"530846835"	"9960285"	""	""	"CHEMBL4297456"	""	""	""	""	"(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]butanediamide"	""	"ATN161|N-acetyl-L-prolyl-L-histidyl-L-seryl-L-cysteinyl-L-asparaginamide"	"CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N"	"MMHDBUJXLOFTLC-WOYTXXSLSA-N"	"InChI=1S/C23H35N9O8S/c1-11(34)32-4-2-3-17(32)23(40)29-14(5-12-7-26-10-27-12)20(37)30-15(8-33)21(38)31-16(9-41)22(39)28-13(19(25)36)6-18(24)35/h7,10,13-17,33,41H,2-6,8-9H2,1H3,(H2,24,35)(H2,25,36)(H,26,27)(H,28,39)(H,29,40)(H,30,37)(H,31,38)/t13-,14-,15-,16-,17-/m0/s1"	""	""	""
"9730"	"atogepant"	""	"Synthetic organic"	"yes"	""	""	""	"354702206"	"72163100"	""	""	""	""	""	""	""	"(3S)-N-[(3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide"	"atogepant"	"AGN-241689|Aquipta&reg;|example 4 [US20120122911]|MK-8031|Qulipta&reg;"	"O=C(c1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2c1cccn2)N[C@H]1C[C@H]([C@H](N(C1=O)CC(F)(F)F)C)c1c(F)ccc(c1F)F"	"QIVUCLWGARAQIO-OLIXTKCUSA-N"	"InChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1"	""	""	""
"7118"	"atomoxetine"	""	"Synthetic organic"	"yes"	""	""	""	"178103695"	"54841"	""	""	"CHEMBL641"	""	""	""	""	"methyl[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]amine"	"atomoxetine"	"LY-139603|Strattera&reg;"	"CNCC[C@H](c1ccccc1)Oc1ccccc1C"	"VHGCDTVCOLNTBX-QGZVFWFLSA-N"	"InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1"	""	""	""
"4048"	"atopaxar"	""	"Synthetic organic"	""	""	""	""	"178100872"	"10459564"	""	""	"CHEMBL2103856"	""	""	""	""	"1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone"	"atopaxar"	"E 5555|E5555|ER 172594-00"	"CCOc1c(OCC)cc2c(c1F)C(=N)N(C2)CC(=O)c1cc(N2CCOCC2)c(c(c1)C(C)(C)C)OC"	"QWKAUGRRIXBIPO-UHFFFAOYSA-N"	"InChI=1S/C29H38FN3O5/c1-7-37-23-15-19-16-33(28(31)24(19)25(30)27(23)38-8-2)17-22(34)18-13-20(29(3,4)5)26(35-6)21(14-18)32-9-11-36-12-10-32/h13-15,31H,7-12,16-17H2,1-6H3"	""	""	""
"2949"	"atorvastatin"	""	"Synthetic organic"	"yes"	""	""	""	"135649972"	"60823"	""	""	"CHEMBL1487"	""	""	""	""	"(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid"	"atorvastatin"	"Lipitor&reg;"	"O[C@@H](C[C@H](CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1"	"XUKUURHRXDUEBC-KAYWLYCHSA-N"	"InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1"	""	""	""
"2957"	"atorvastatin lactone"	""	"Synthetic organic"	""	""	""	""	"135649818"	"6483036"	""	""	"CHEMBL333687"	""	""	""	""	"5-(4-fluorophenyl)-1-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-N,4-diphenyl-2-(propan-2-yl)-1H-pyrrole-3-carboxamide"	""	""	"O[C@@H]1C[C@@H](CCn2c(C(C)C)c(c(c2c2ccc(cc2)F)c2ccccc2)C(=O)Nc2ccccc2)OC(=O)C1"	"OUCSEDFVYPBLLF-KAYWLYCHSA-N"	"InChI=1S/C33H33FN2O4/c1-21(2)31-30(33(39)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)/t26-,27-/m1/s1"	""	""	""
"2213"	"atosiban"	""	"Peptide"	"yes"	""	""	""	"135652002"	"5311010"	""	""	"CHEMBL382301"	""	""	""	""	"(2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide"	"atosiban"	"Antocin&reg;|d[<small>D</small>-Tyr(Et)<sup>2</sup>,Thr<sup>4</sup>,Orn<sup>8</sup>]vasotocin|d[<small>D</small>-Tyr(Et)<sup>2</sup>,Thr<sup>4</sup>]OVT|ORF22164|RWJ 22164|Tractocile&reg;"	"NCCC[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(cc2)OCC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)[C@H](O)C)[C@H](CC)C"	"VWXRQYYUEIYXCZ-OBIMUBPZSA-N"	"InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1"	""	""	""
"9695"	"atovaquone"	""	"Synthetic organic"	"yes"	""	""	""	"348353654"	"74989"	""	""	"CHEMBL1450"	""	""	""	""	"trans-2-[4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthalenedione"	"atovaquone"	"566C80|Mepron&reg;|Wellvone&reg;"	"Clc1ccc(cc1)[C@@H]1CC[C@H](CC1)C1=C(O)C(=O)c2c(C1=O)cccc2"	"KUCQYCKVKVOKAY-CTYIDZIISA-N"	"InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-"	""	"yes"	""
"13395"	"atoxifent"	""	"Synthetic organic"	""	""	""	""	"496703365"	"171663348"	""	""	""	""	""	""	""	"3-[3-(3-Phenylpropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]phenol"	""	"compound 2 [PMID: 38810170]"	"OC1=CC(N2[C@H]3CC[C@@H]2CN(CCCC4=CC=CC=C4)C3)=CC=C1"	"PEXKBSSCTUNEBX-BGYRXZFFSA-N"	"InChI=1S/C21H26N2O/c24-21-10-4-9-18(14-21)23-19-11-12-20(23)16-22(15-19)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,14,19-20,24H,5,8,11-13,15-16H2/t19-,20+"	""	""	""
"1713"	"ATP"	""	"Metabolite"	""	""	""	""	"135651446"	"5957"	""	""	"CHEMBL14249"	""	""	""	""	"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate"	""	"5'-ATP|adenosine 5' triphosphate|adenosine triphosphate"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N"	"ZKHQWZAMYRWXGA-KQYNXXCUSA-N"	"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1"	""	""	""
"4140"	"ATPA"	""	"Synthetic organic"	""	""	""	""	"178100962"	"2252"	""	""	"CHEMBL113180"	""	""	""	""	"2-azaniumyl-3-(5-tert-butyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)propanoate"	""	""	"[NH3+]C(C(=O)[O-])Cc1c(o[nH]c1=O)C(C)(C)C"	"PIXJURSCCVBKRF-UHFFFAOYSA-N"	"InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)"	""	""	""
"1714"	"ATP&gamma;S"	""	"Synthetic organic"	""	""	""	""	"135651447"	"44123300"	""	""	""	""	""	""	""	"[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (dioxidophosphinothioyloxy-oxidophosphoryl) phosphate"	""	"adenosine 5'-(3-thio)triphosphate|ATPgammaS"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=S)([O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N"	"NLTUCYMLOPLUHL-KQYNXXCUSA-J"	"InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/p-4/t4-,6-,7-,10-/m1/s1"	""	""	""
"4141"	"ATPO"	""	"Synthetic organic"	""	""	""	""	"178100963"	"4615193"	""	""	"CHEMBL265301"	""	""	""	""	"2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-1,2-oxazol-4-yl]propanoic acid"	""	""	"OC(=O)C(Cc1c(noc1C(C)(C)C)OCP(=O)(O)O)N"	"AGSOOCUNMTYPSE-UHFFFAOYSA-N"	"InChI=1S/C11H19N2O7P/c1-11(2,3)8-6(4-7(12)10(14)15)9(13-20-8)19-5-21(16,17)18/h7H,4-5,12H2,1-3H3,(H,14,15)(H2,16,17,18)"	""	""	""
"14732"	"ATR-258"	""	"Synthetic organic"	""	""	""	""	""	"138472979"	""	""	""	""	""	""	""	"(1R)-2-(tert-butylamino)-1-(5-fluoro-3-pyridinyl)ethanol"	""	"ATR258|compound 15 [PMID: 40555230]"	"FC1=CC([C@H](CNC(C)(C)C)O)=CN=C1"	"SASMSPQPEDQJII-JTQLQIEISA-N"	"InChI=1S/C11H17FN2O/c1-11(2,3)14-7-10(15)8-4-9(12)6-13-5-8/h4-6,10,14-15H,7H2,1-3H3/t10-/m0/s1"	""	""	""
"9537"	"atracurium"	""	"Synthetic organic"	"yes"	""	""	""	"336446923"	"47319"	""	""	"CHEMBL1360"	""	""	""	""	"5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate"	"atracurium besilate"	"atracurium besilate|atracurium dibesylate|BW 33A|Tracrium&reg;"	"COc1cc2c(cc1OC)CC[N+](C2Cc1ccc(c(c1)OC)OC)(C)CCC(=O)OCCCCCOC(=O)CC[N+]1(C)CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC"	"YXSLJKQTIDHPOT-UHFFFAOYSA-N"	"InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2"	"yes"	""	""
"3487"	"atrasentan"	""	"Synthetic organic"	"yes"	""	""	""	"178100477"	"159594"	""	""	"CHEMBL9194"	""	""	""	""	"(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid"	"atrasentan"	"A-127722|A-147627|ABT-627"	"CCCCN(C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(cc1)OC)C(=O)O)c1ccc2c(c1)OCO2)CCCC"	"MOTJMGVDPWRKOC-QPVYNBJUSA-N"	"InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1"	""	""	""
"4869"	"atrial natriuretic peptide"	"Human"	"Peptide"	""	""	""	""	"178101570"	"0"	"P01160"	"ENSG00000175206"	""	""	""	""	""	""	""	"ANP|atrial natriuretic factor (ANF)"	""	""	""	""	""	""
"320"	"atropine"	""	"Natural product"	"yes"	""	""	""	"135652667"	"174174"	""	""	"CHEMBL517712"	""	""	""	""	"[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate"	""	"Atropen&reg;|hyoscyamine"	"OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C"	"RKUNBYITZUJHSG-SPUOUPEWSA-N"	"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?"	""	""	""
"11687"	"atuveciclib"	""	"Synthetic organic"	""	""	""	""	"442878713"	"121488167"	""	""	"CHEMBL4439321"	""	""	""	""	"4-(4-fluoro-2-methoxyphenyl)-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine"	"atuveciclib"	"BAY 1143572|BAY-1143572|BAY1143572"	"COc1c(ccc(c1)F)c1nc(ncn1)Nc1cccc(c1)C[S@](=N)(=O)C"	"ACWKGTGIJRCOOM-HHHXNRCGSA-N"	"InChI=1S/C18H18FN5O2S/c1-26-16-9-13(19)6-7-15(16)17-21-11-22-18(24-17)23-14-5-3-4-12(8-14)10-27(2,20)25/h3-9,11,20H,10H2,1-2H3,(H,21,22,23,24)/t27-/m1/s1"	""	""	""
"11666"	"atuzabrutinib"	""	"Synthetic organic"	""	""	""	""	"442878692"	"73438222"	""	""	"CHEMBL4114766"	""	""	""	""	"(E)-2-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile"	"atuzabrutinib"	"compound 11 [PMID: 35302767]|PRN-473|PRN473|SAR-444727|SAR444727"	"Nc1c2c(ncn1)n(nc2c1c(cc(cc1)Oc1ccccc1)F)[C@H]1CN(CCC1)C(=O)/C(=C/C(C)(C)C)/C#N"	"KZMQPYCXSAGLTB-ZWUNQBBJSA-N"	"InChI=1S/C30H30FN7O2/c1-30(2,3)15-19(16-32)29(39)37-13-7-8-20(17-37)38-28-25(27(33)34-18-35-28)26(36-38)23-12-11-22(14-24(23)31)40-21-9-5-4-6-10-21/h4-6,9-12,14-15,18,20H,7-8,13,17H2,1-3H3,(H2,33,34,35)/b19-15+/t20-/m1/s1"	""	""	""
"2614"	"ATX-II"	""	"Peptide"	""	""	""	""	"135652003"	"0"	"P01528"	""	""	""	""	""	""	""	""	"anemonia viridis toxin 2|Sea anemone toxin II (<i>Anemonia sulcata</i>)|toxin ATX-II"	""	""	""	""	""	""
"14454"	"ATXN2 degron"	""	"Peptide"	""	""	""	""	"528429775"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8738"	"aTyr 1940"	""	"Peptide"	""	""	""	""	"252827396"	"0"	""	""	""	""	""	""	""	""	""	"ATYR1940|HRS(1-506)|Resolaris"	""	""	""	""	""	""
"10189"	"Audien"	""	"Inorganic"	""	""	""	""	"381118899"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11136"	"aumolertinib"	""	"Synthetic organic"	"yes"	""	""	""	"434122196"	"121280087"	""	""	"CHEMBL4761468"	""	""	""	""	"N-[5-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide"	"aumolertinib"	"almonertinib|Ameile|Egfr T790M inhibitor HS-10296|example 26 [WO2016054987A1]|HS10296"	"C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C2CC2)c(cc1N(CCN(C)C)C)OC"	"DOEOECWDNSEFDN-UHFFFAOYSA-N"	"InChI=1S/C30H35N7O2/c1-6-29(38)32-24-17-25(28(39-5)18-27(24)36(4)16-15-35(2)3)34-30-31-14-13-23(33-30)22-19-37(20-11-12-20)26-10-8-7-9-21(22)26/h6-10,13-14,17-20H,1,11-12,15-16H2,2-5H3,(H,32,38)(H,31,33,34)"	""	""	""
"10117"	"AUNP-12"	""	"Peptide"	""	""	""	""	"381118827"	"131709240"	""	""	""	""	""	""	""	""	""	"Aur-012|Aurigene NP-12|Aurigene-012|compound #8 [WO2011161699A3]"	"NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(=O)N)CO)CCC(=O)O)CO)Cc1ccccc1)CCCCNN[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C=O)CO)CC(=O)N)[C@@H](O)C)CO)CCC(=O)O)CO)Cc1ccccc1)Cc1ccccc1)CCCNC(=N)N)CCC(=O)N)CC(C)C)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NN)CCCCN)CCC(=O)N)C"	"YQYGGOPUTPQHAY-KIQLFZLRSA-N"	"InChI=1S/C142H226N40O48/c1-12-71(6)110(176-124(213)83(36-22-25-51-143)158-125(214)89(180-152)45-50-108(201)202)137(226)163-85(41-46-102(146)193)118(207)156-73(8)116(205)165-90(38-23-26-52-144)141(230)182-55-29-40-101(182)135(224)155-72(7)114(203)115(204)91(56-69(2)3)166-120(209)86(42-47-103(147)194)164-138(227)113(76(11)192)179-136(225)109(70(4)5)175-123(212)84(39-28-53-153-142(150)151)160-127(216)92(57-77-30-16-13-17-31-77)168-119(208)82(159-128(217)93(58-78-32-18-14-19-33-78)169-133(222)98(66-187)171-121(210)87(43-48-106(197)198)162-132(221)99(67-188)174-140(229)112(75(10)191)177-129(218)95(61-105(149)196)167-117(206)81(145)64-185)37-24-27-54-154-181-96(59-79-34-20-15-21-35-79)130(219)173-97(65-186)131(220)161-88(44-49-107(199)200)122(211)172-100(68-189)134(223)178-111(74(9)190)139(228)170-94(60-104(148)195)126(215)157-80(62-183)63-184/h13-21,30-35,62,69-76,80-101,109-113,154,180-181,184-192H,12,22-29,36-61,63-68,143-145,152H2,1-11H3,(H2,146,193)(H2,147,194)(H2,148,195)(H2,149,196)(H,155,224)(H,156,207)(H,157,215)(H,158,214)(H,159,217)(H,160,216)(H,161,220)(H,162,221)(H,163,226)(H,164,227)(H,165,205)(H,166,209)(H,167,206)(H,168,208)(H,169,222)(H,170,228)(H,171,210)(H,172,211)(H,173,219)(H,174,229)(H,175,212)(H,176,213)(H,177,218)(H,178,223)(H,179,225)(H,197,198)(H,199,200)(H,201,202)(H4,150,151,153)/t71-,72-,73-,74+,75+,76+,80-,81+,82?,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,109+,110+,111+,112+,113+/m1/s1"	""	""	""
"10188"	"Auphen"	""	"Inorganic"	""	""	""	""	"381118898"	"0"	""	""	"CHEMBL118385"	""	""	""	""	""	""	""	""	""	""	""	""	""
"6306"	"auranofin"	""	"Synthetic organic"	"yes"	""	""	""	"178102925"	"70788951"	""	""	"CHEMBL1366"	""	""	""	""	"gold(+1) cation; (2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate; triethylphosphane"	"auranofin"	"MMV688978|Ridaura&reg;|SK&F-39162|SK-39162"	"CC[P+]([Au-]S[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)(CC)CC"	"AUJRCFUBUPVWSZ-XTZHGVARSA-M"	"InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m1../s1"	"yes"	""	"yes"
"13417"	"auriclosene"	""	"Synthetic organic"	""	""	""	""	"496703387"	"11708365"	""	""	"CHEMBL1207907"	""	""	""	""	"2-(dichloroamino)-2-methylpropane-1-sulfonic acid"	"auriclosene"	"NVC-422"	"CC(C)(CS(=O)(=O)O)N(Cl)Cl"	"QYNRGGHZWCUZLK-UHFFFAOYSA-N"	"InChI=1S/C4H9Cl2NO3S/c1-4(2,7(5)6)3-11(8,9)10/h3H2,1-2H3,(H,8,9,10)"	""	""	"yes"
"5930"	"aurora kinase inhibitor II"	""	"Synthetic organic"	""	""	""	""	"178102553"	"6610278"	""	""	"CHEMBL382590"	""	""	""	""	"N-{4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl}benzamide"	""	"quinazoline deriv. 1"	"COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)NC(=O)c1ccccc1"	"IMYVCWQAHSYYOO-UHFFFAOYSA-N"	"InChI=1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-8-10-17(11-9-16)27-23(28)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26)"	""	""	""
"5931"	"aurora kinase inhibitor III"	""	"Synthetic organic"	""	""	""	""	"178102554"	"9549303"	""	""	"CHEMBL383899"	""	""	""	""	"N-{3-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]phenyl}cyclopropanecarboxamide"	""	"2np8"	"O=C(C1CC1)Nc1cccc(c1)Nc1nccc(n1)Nc1cccc(c1)C(F)(F)F"	"RDTDWGQDFJPTPD-UHFFFAOYSA-N"	"InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(11-14)26-18-9-10-25-20(29-18)28-17-6-2-5-16(12-17)27-19(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,27,30)(H2,25,26,28,29)"	""	""	""
"2925"	"AUY954"	""	"Synthetic organic"	""	""	""	""	"135649973"	"11259583"	""	""	""	""	""	""	""	"3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid"	""	"AUY 954"	"OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1"	"SKYYWSWIUKISCX-UHFFFAOYSA-N"	"InChI=1S/C25H20F3NO2S/c26-25(27,28)21-13-18(7-8-20(21)17-4-2-1-3-5-17)23-14-19-12-16(6-9-22(19)32-23)15-29-11-10-24(30)31/h1-9,12-14,29H,10-11,15H2,(H,30,31)"	""	""	""
"3855"	"Ava3"	""	"Peptide"	""	""	""	""	"178100694"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3856"	"Ava5"	""	"Peptide"	""	""	""	""	"178100695"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"12857"	"avacincaptad pegol"	""	"Nucleic acid"	"yes"	""	""	""	"483123405"	"0"	""	""	"CHEMBL4297889"	""	""	""	""	""	"avacincaptad pegol"	"ARC-1905|ARC1905|Izervay&reg;|Zimura"	""	""	""	"yes"	""	""
"9450"	"avacopan"	""	"Synthetic organic"	"yes"	""	""	""	"329968390"	"49841217"	""	""	""	""	""	""	""	"(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide"	"avacopan"	"CCX-168|CCX168|Tavneos&reg;"	"O=C([C@H]1CCCN([C@H]1c1ccc(cc1)NC1CCCC1)C(=O)c1c(C)cccc1F)Nc1ccc(c(c1)C(F)(F)F)C"	"PUKBOVABABRILL-YZNIXAGQSA-N"	"InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1"	"yes"	""	""
"10522"	"avadomide"	""	"Synthetic organic"	""	""	""	""	"387065604"	"24967599"	""	""	"CHEMBL3989934"	""	""	""	""	"3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione"	"avadomide"	"CC-122|CC122|Compound A [WO2014039960A1]"	"O=C1CCC(C(=O)N1)n1c(C)nc2c(c1=O)c(N)ccc2"	"RSNPAKAFCAAMBH-UHFFFAOYSA-N"	"InChI=1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)"	"yes"	""	""
"6489"	"avagacestat"	""	"Synthetic organic"	""	""	""	""	"178103103"	"46883536"	""	""	"CHEMBL1090771"	""	""	""	""	"(2R)-5,5,5-trifluoro-2-(N-{[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl}4-chlorobenzenesulfonamido)pentanamide"	"avagacestat"	"BMS-708163"	"NC(=O)[C@H](N(S(=O)(=O)c1ccc(cc1)Cl)Cc1ccc(cc1F)c1nocn1)CCC(F)(F)F"	"XEAOPVUAMONVLA-QGZVFWFLSA-N"	"InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1"	""	""	""
"7448"	"avanafil"	""	"Synthetic organic"	"yes"	""	""	""	"178104020"	"9869929"	""	""	"CHEMBL1963681"	""	""	""	""	"4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide"	"avanafil"	"Spedra&reg;|Stendra&reg;|TA-1790"	"OC[C@@H]1CCCN1c1ncc(c(n1)NCc1ccc(c(c1)Cl)OC)C(=O)NCc1ncccn1"	"WEAJZXNPAWBCOA-INIZCTEOSA-N"	"InChI=1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1"	""	""	""
"10368"	"avapritinib"	""	"Synthetic organic"	"yes"	""	""	""	"384403648"	"118023034"	""	""	""	""	""	""	""	"(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine"	"avapritinib"	"Ayvakit&reg;|Ayvakyt&reg;|BLU-285|BLU285"	"Fc1ccc(cc1)[C@@](c1cnc(nc1)N1CCN(CC1)c1ncnn2c1cc(c2)c1cnn(c1)C)(N)C"	"DWYRIWUZIJHQKQ-SANMLTNESA-N"	"InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1"	"yes"	""	""
"1307"	"[Ava<sup>9,10</sup>,Ava<sup>14,15</sup>]-Ac-hMCH<sub>6-16</sub>-NH2"	""	"Peptide"	""	""	""	""	"135652062"	"0"	""	""	""	""	""	""	""	""	""	"compound 30 [PMID:12009900]"	""	""	""	""	""	""
"9953"	"avatrombopag"	""	"Synthetic organic"	"yes"	""	""	""	"374883840"	"9852519"	""	""	"CHEMBL2103883"	""	""	""	""	"1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperidine-4-carboxylic acid"	"avatrombopag"	"AKR-501|Doptelet&reg;|E5501|YM477"	"OC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)Nc1sc(c(n1)c1scc(c1)Cl)N1CCN(CC1)C1CCCCC1"	"OFZJKCQENFPZBH-UHFFFAOYSA-N"	"InChI=1S/C29H34Cl2N6O3S2/c30-20-15-23(41-17-20)24-27(37-12-10-35(11-13-37)21-4-2-1-3-5-21)42-29(33-24)34-26(38)19-14-22(31)25(32-16-19)36-8-6-18(7-9-36)28(39)40/h14-18,21H,1-13H2,(H,39,40)(H,33,34,38)"	""	""	""
"11345"	"avdoralimab"	""	"Antibody"	""	""	""	""	"440816714"	"0"	""	""	""	""	""	""	""	""	"avdoralimab"	"anti-hC5aR-32F3A6 GL|IPH-5401|NN-8210|NNC-0215-0384"	""	""	""	"yes"	""	""
"5579"	"AVE 0991"	""	"Synthetic organic"	""	""	""	""	"178102215"	"9851724"	""	""	""	""	""	""	""	"3-ethyl-1-[3-[4-[(5-formyl-4-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylurea"	""	"AVE-0991|AVE0991"	"CCNC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(nc(c1C=O)OC)c1ccccc1)CC(C)C"	"QTOZBSNPDCWHPV-UHFFFAOYSA-N"	"InChI=1S/C29H32N4O5S2/c1-5-30-29(35)32-40(36,37)28-24(16-23(39-28)15-19(2)3)21-13-11-20(12-14-21)17-33-25(18-34)27(38-4)31-26(33)22-9-7-6-8-10-22/h6-14,16,18-19H,5,15,17H2,1-4H3,(H2,30,32,35)"	"yes"	""	""
"11206"	"AVE1231"	""	"Synthetic organic"	""	""	""	""	"434122266"	"9844211"	""	""	""	""	""	""	""	"2-(butylsulfonylamino)-N-[(1R)-1-(6-methoxypyridin-3-yl)propyl]benzamide"	""	"A-293|A293|AVE-1231"	"CCCCS(=O)(=O)Nc1ccccc1C(=O)N[C@@H](c1ccc(nc1)OC)CC"	"BFQMQSIBOHOPCY-QGZVFWFLSA-N"	"InChI=1S/C20H27N3O4S/c1-4-6-13-28(25,26)23-18-10-8-7-9-16(18)20(24)22-17(5-2)15-11-12-19(27-3)21-14-15/h7-12,14,17,23H,4-6,13H2,1-3H3,(H,22,24)/t17-/m1/s1"	""	""	""
"8735"	"avelumab"	""	"Antibody"	"yes"	""	""	""	"252827393"	"0"	""	""	""	""	""	""	""	""	"avelumab"	"Bavencio&reg;|MSB-0010718C|MSB0010718C"	""	""	""	"yes"	""	""
"13444"	"avexitide"	""	"Peptide"	""	""	""	""	"500839854"	"16198321"	""	""	"CHEMBL4070972"	""	""	""	""	""	"avexitide"	""	"C([C@H](NC([C@@H](NC([C@@H](NC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC(O)=O)N)=O)CC(C)C)=O)CO)=O)CCCCN)=O)CCC(N)=O)=O)CCSC)=O)CCC(O)=O)=O)CCC(O)=O)=O)CCC(O)=O)=O)C)=O)[C@H](C)C)=O)CCCNC(=N)N)=O)CC(C)C)=O)=O)[C@H](CC)C)=O)CCC(O)=O)=O)C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(NCC(=O)N2[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(=O)N3[C@H](C(=O)N4[C@H](C(=O)N5[C@H](C(N[C@H](C(N)=O)CO)=O)CCC5)CCC4)CCC3)C)=O)=O)CO)=O)CO)=O)CCC2)=O)=O)CC(N)=O)=O)CCCCN)=O)CC(C)C)=O)C=6C=7C(NC6)=CC=CC7"	"WSEVKKHALHSUMB-MVNVRWBSSA-N"	"InChI=1S/C149H234N40O47S/c1-14-78(10)120(185-139(227)98(62-81-29-16-15-17-30-81)177-136(224)97(61-76(6)7)175-129(217)88(35-24-53-158-149(156)157)172-144(232)119(77(8)9)184-122(210)79(11)164-126(214)90(41-46-114(199)200)168-131(219)91(42-47-115(201)202)169-132(220)92(43-48-116(203)204)170-134(222)94(50-58-237-13)171-130(218)89(40-45-109(153)194)167-127(215)86(33-20-22-51-150)166-140(228)103(72-192)182-137(225)95(59-74(2)3)174-123(211)84(152)64-118(207)208)145(233)173-93(44-49-117(205)206)133(221)178-99(63-82-66-159-85-32-19-18-31-83(82)85)138(226)176-96(60-75(4)5)135(223)165-87(34-21-23-52-151)128(216)179-100(65-110(154)195)124(212)161-67-111(196)160-69-113(198)186-54-25-36-105(186)142(230)183-104(73-193)141(229)181-102(71-191)125(213)162-68-112(197)163-80(12)146(234)188-56-27-38-107(188)148(236)189-57-28-39-108(189)147(235)187-55-26-37-106(187)143(231)180-101(70-190)121(155)209/h15-19,29-32,66,74-80,84,86-108,119-120,159,190-193H,14,20-28,33-65,67-73,150-152H2,1-13H3,(H2,153,194)(H2,154,195)(H2,155,209)(H,160,196)(H,161,212)(H,162,213)(H,163,197)(H,164,214)(H,165,223)(H,166,228)(H,167,215)(H,168,219)(H,169,220)(H,170,222)(H,171,218)(H,172,232)(H,173,233)(H,174,211)(H,175,217)(H,176,226)(H,177,224)(H,178,221)(H,179,216)(H,180,231)(H,181,229)(H,182,225)(H,183,230)(H,184,210)(H,185,227)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H4,156,157,158)/t78-,79-,80-,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,119-,120-/m0/s1"	""	""	""
"14592"	"AVI-6451"	""	"Synthetic organic"	""	""	""	""	"530846840"	"177761868"	""	""	""	""	""	""	""	"3-[(8-cyclopropyl-6-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-4,4-dimethyl-1,3-oxazolidin-2-one"	""	"AVI6451|compound 4 [PMID: 41406955]"	"C1(CC1)C=2C=C(C=C3C4=C(NC23)N=CN=C4NN5C(OCC5(C)C)=O)F"	"HPVFILMAIVNMKQ-UHFFFAOYSA-N"	"InChI=1S/C18H18FN5O2/c1-18(2)7-26-17(25)24(18)23-16-13-12-6-10(19)5-11(9-3-4-9)14(12)22-15(13)20-8-21-16/h5-6,8-9H,3-4,7H2,1-2H3,(H2,20,21,22,23)"	"yes"	""	""
"14597"	"AVI8122"	""	"Synthetic organic"	""	""	""	""	"530846845"	"170431413"	""	""	""	""	""	""	""	"N-[(2S)-3-cyclopropyl-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide"	""	"AVI-8122|Compound 9 [WO2023235970]"	"O=C([C@@H](NC([C@H](CC1CC1)NC(C2=CC3=C(C(F)=CC=C3)N2)=O)=O)C[C@H]4C(NCCC4)=O)CO"	"NBJPSGFTTPPXGB-SZMVWBNQSA-N"	"InChI=1S/C24H29FN4O5/c25-16-5-1-3-14-10-19(27-21(14)16)24(34)29-18(9-13-6-7-13)23(33)28-17(20(31)12-30)11-15-4-2-8-26-22(15)32/h1,3,5,10,13,15,17-18,27,30H,2,4,6-9,11-12H2,(H,26,32)(H,28,33)(H,29,34)/t15-,17-,18-/m0/s1"	""	""	""
"10761"	"avibactam"	""	"Synthetic organic"	"yes"	""	""	""	"405560202"	"9835049"	""	""	"CHEMBL1689063"	""	""	""	""	"[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate"	"avibactam"	"AVI|Emblaveo&reg; (aztreonam and avibactam)|NXL 104|NXL-104|NXL104"	"NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O"	"NDCUAPJVLWFHHB-UHNVWZDZSA-N"	"InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1"	""	""	"yes"
"12949"	"avibactam tomilopil"	""	"Synthetic organic"	""	""	""	""	"485206070"	"135339165"	""	""	"CHEMBL4284604"	""	""	""	""	"ethyl 3-[[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl]oxysulfonyloxy]-2,2-dimethylpropanoate"	"avibactam tomilopil"	"ARX-1796|AV-006|PF-07338233"	"CCOC(=O)C(C)(C)COS(=O)(=O)ON1[C@@H]2CC[C@H](N(C2)C1=O)C(=O)N"	"JHSLCXRZVJOZQZ-ZJUUUORDSA-N"	"InChI=1S/C14H23N3O8S/c1-4-23-12(19)14(2,3)8-24-26(21,22)25-17-9-5-6-10(11(15)18)16(7-9)13(17)20/h9-10H,4-8H2,1-3H3,(H2,15,18)/t9-,10+/m1/s1"	""	""	"yes"
"10891"	"aviptadil"	""	"Peptide"	"yes"	""	""	""	"405560332"	"16132300"	""	""	""	""	""	""	""	""	"aviptadil"	"Invicorp&reg; (aviptadil + phentolamine)|Vasoactive intestinal octacosapeptide"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)N)CC(C)C)[C@H](CC)C)CO)CC(=O)N)CC(C)C)Cc1ccc(cc1)O)CCCCN)CCCCN)C(C)C)C)CCSC)CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1[nH]cnc1)N)CO)CC(=O)O)C)Cc1ccccc1)CC(=O)O)CC(=O)N)Cc1ccc(cc1)O)CCCNC(=N)N)CC(C)C)CCCNC(=N)N"	"VBUWHHLIZKOSMS-RIWXPGAOSA-N"	"InChI=1S/C147H237N43O43S/c1-18-75(12)115(142(229)180-96(56-72(6)7)131(218)183-104(145(232)233)63-110(155)200)188-139(226)106(68-192)185-134(221)101(62-109(154)199)177-130(217)95(55-71(4)5)174-132(219)97(58-81-37-41-84(195)42-38-81)175-125(212)88(33-23-26-49-149)167-123(210)89(34-24-27-50-150)171-140(227)113(73(8)9)186-118(205)76(13)164-121(208)93(47-53-234-17)170-127(214)92(45-46-107(152)197)169-122(209)87(32-22-25-48-148)166-124(211)90(35-28-51-161-146(156)157)168-129(216)94(54-70(2)3)173-126(213)91(36-29-52-162-147(158)159)172-143(230)116(78(15)193)189-136(223)98(59-82-39-43-85(196)44-40-82)176-133(220)100(61-108(153)198)178-135(222)103(65-112(203)204)182-144(231)117(79(16)194)190-137(224)99(57-80-30-20-19-21-31-80)181-141(228)114(74(10)11)187-119(206)77(14)165-128(215)102(64-111(201)202)179-138(225)105(67-191)184-120(207)86(151)60-83-66-160-69-163-83/h19-21,30-31,37-44,66,69-79,86-106,113-117,191-196H,18,22-29,32-36,45-65,67-68,148-151H2,1-17H3,(H2,152,197)(H2,153,198)(H2,154,199)(H2,155,200)(H,160,163)(H,164,208)(H,165,215)(H,166,211)(H,167,210)(H,168,216)(H,169,209)(H,170,214)(H,171,227)(H,172,230)(H,173,213)(H,174,219)(H,175,212)(H,176,220)(H,177,217)(H,178,222)(H,179,225)(H,180,229)(H,181,228)(H,182,231)(H,183,218)(H,184,207)(H,185,221)(H,186,205)(H,187,206)(H,188,226)(H,189,223)(H,190,224)(H,201,202)(H,203,204)(H,232,233)(H4,156,157,161)(H4,158,159,162)/t75-,76-,77-,78+,79+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-,117-/m0/s1"	""	""	""
"10446"	"avitriptan"	""	"Synthetic organic"	""	""	""	""	"385612206"	"133081"	""	""	"CHEMBL2110755"	""	""	""	""	""	"avitriptan"	"BMS-180,048|BMS-180048|BMS180048"	"COc1cncnc1N1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NC"	"WRZVGHXUPBWIOO-UHFFFAOYSA-N"	"InChI=1S/C22H30N6O3S/c1-23-32(29,30)15-17-5-6-20-19(12-17)18(13-25-20)4-3-7-27-8-10-28(11-9-27)22-21(31-2)14-24-16-26-22/h5-6,12-14,16,23,25H,3-4,7-11,15H2,1-2H3"	""	""	""
"12270"	"avizakimab"	""	"Antibody"	""	""	""	""	"473153858"	"0"	""	""	""	""	""	""	""	""	"avizakimab"	"BOS 161721|BOS161721"	""	""	""	""	""	""
"11584"	"avoralstat"	""	"Synthetic organic"	""	""	""	""	"442878618"	"86566678"	""	""	"CHEMBL4297502"	""	""	""	""	"3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylic acid"	"avoralstat"	"BCX-4161|BCX4161"	"COc1cc(c(cc1C=C)C(=O)Nc1ccc(cc1)C(=N)N)c1ccc(nc1C(=O)O)C(=O)NCC1CC1"	"TUWMKPVJGGWGNL-UHFFFAOYSA-N"	"InChI=1S/C28H27N5O5/c1-3-16-12-21(26(34)32-18-8-6-17(7-9-18)25(29)30)20(13-23(16)38-2)19-10-11-22(33-24(19)28(36)37)27(35)31-14-15-4-5-15/h3,6-13,15H,1,4-5,14H2,2H3,(H3,29,30)(H,31,35)(H,32,34)(H,36,37)"	""	""	""
"8260"	"avosentan"	""	"Synthetic organic"	""	""	""	""	"249565940"	"9912992"	""	""	""	""	""	""	""	"N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide"	"avosentan"	"Ro 67-0565|SPP-301"	"COc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cn1)C)c1ccncc1"	"YBWLTKFZAOSWSM-UHFFFAOYSA-N"	"InChI=1S/C23H21N5O5S/c1-15-8-9-19(25-14-15)34(29,30)28-22-20(33-18-7-5-4-6-17(18)31-2)23(32-3)27-21(26-22)16-10-12-24-13-11-16/h4-14H,1-3H3,(H,26,27,28)"	""	""	""
"13720"	"AVP-21D9"	""	"Antibody"	""	""	""	""	"507750354"	"0"	""	""	"CHEMBL2109303"	""	""	""	""	""	""	"Thravixa&reg;"	""	""	""	""	""	"yes"
"11867"	"avutometinib"	""	"Synthetic organic"	"yes"	""	""	""	"461663423"	"16719221"	""	""	"CHEMBL3264002"	""	""	""	""	""	"avutometinib"	"Avmapki Fakzynja (avutometinib + defactinib co-pack)|CH-5126766|CH5126766|compound 1 [PMID: 24900832]|RG-7304|RO-5126766|RO5126766|VS-6766"	"Fc1c(nccc1Cc1c(=O)oc2c(c1C)ccc(c2)Oc1ncccn1)NS(=O)(=O)NC"	"LMMJFBMMJUMSJS-UHFFFAOYSA-N"	"InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27)"	""	""	""
"11253"	"AX-024"	""	"Synthetic organic"	""	""	""	""	"434122313"	"56949412"	""	""	""	""	""	""	""	""	""	"AX-24|AX024"	"COc1ccc2c(c1)C(=C(CO2)CN1CCCC1)c1ccc(cc1)F"	"VMMKGVRPILDZML-UHFFFAOYSA-N"	"InChI=1S/C21H22FNO2/c1-24-18-8-9-20-19(12-18)21(15-4-6-17(22)7-5-15)16(14-25-20)13-23-10-2-3-11-23/h4-9,12H,2-3,10-11,13-14H2,1H3"	"yes"	""	""
"11980"	"AX15836"	""	"Synthetic organic"	""	""	""	""	"464244121"	"122705989"	""	""	"CHEMBL4541479"	""	""	""	""	"2-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5-methyl-11-methylsulfonylpyrimido[4,5-b][1,4]benzodiazepin-6-one"	""	"AX-15836|compound A10 [PMID: 27679845]"	"C(C)Oc1c(ccc(c1)C(=O)N1CCC(CC1)N1CCN(CC1)C)Nc1ncc2n(c(=O)c3c(n(c2n1)S(=O)(=O)C)cccc3)C"	"HTFNVAVTYILUCF-UHFFFAOYSA-N"	"InChI=1S/C32H40N8O5S/c1-5-45-28-20-22(30(41)39-14-12-23(13-15-39)38-18-16-36(2)17-19-38)10-11-25(28)34-32-33-21-27-29(35-32)40(46(4,43)44)26-9-7-6-8-24(26)31(42)37(27)3/h6-11,20-21,23H,5,12-19H2,1-4H3,(H,33,34,35)"	""	""	""
"13497"	"axatilimab"	""	"Antibody"	"yes"	""	""	""	"500839907"	"0"	""	""	""	""	""	""	""	""	"axatilimab"	"Ab969 [US9908939]|axatilimab-csfr|INCA034176|Niktimvo&reg;|SNDX-6352|UCB-6352"	""	""	""	""	""	""
"5659"	"axitinib"	""	"Synthetic organic"	"yes"	""	""	""	"178102287"	"6450551"	""	""	"CHEMBL1289926"	""	""	""	""	"N-methyl-2-({3-[(E)-2-(pyridin-2-yl)ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide"	"axitinib"	"AG 013736|AG-013736|AG013736|Inlyta&reg;"	"CNC(=O)c1ccccc1Sc1ccc2c(c1)[nH]nc2/C=C/c1ccccn1"	"RITAVMQDGBJQJZ-FMIVXFBMSA-N"	"InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+"	""	""	""
"10696"	"AXT914"	""	"Synthetic organic"	""	""	""	""	"404859143"	"59259095"	""	""	""	""	""	""	""	"1-[(4-bromophenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one"	""	"AXT-914|PD127836"	"CC(C)C1=CC=C(C=C1)C2=NC(=O)N(CC3=CC=C(Br)C=C3)C4=CC=C(OCC#C)C=C24"	"KIZITKARUSPCHY-UHFFFAOYSA-N"	"InChI=1S/C27H23BrN2O2/c1-4-15-32-23-13-14-25-24(16-23)26(21-9-7-20(8-10-21)18(2)3)29-27(31)30(25)17-19-5-11-22(28)12-6-19/h1,5-14,16,18H,15,17H2,2-3H3"	""	""	""
"9455"	"AY77"	""	"Peptide"	""	""	""	""	"329968395"	"0"	""	""	""	""	""	""	""	""	""	"compound 14 [PMID: 26819675]"	""	""	""	""	""	""
"4061"	"AYPGKF-NH2"	""	"Peptide"	""	""	""	""	"178100885"	"0"	""	""	""	""	""	""	""	""	""	"AY-NH2"	""	""	""	""	""	""
"13348"	"AZ1"	""	"Synthetic organic"	""	""	""	""	"496703318"	"16002750"	""	""	""	""	""	""	""	"1-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone"	""	""	"CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F"	"JRTCXCIMCOKGMN-UHFFFAOYSA-N"	"InChI=1S/C21H22F3N3O3S/c1-15(28)27-8-7-16-13-19(5-6-20(16)27)31(29,30)26-11-9-25(10-12-26)18-4-2-3-17(14-18)21(22,23)24/h2-6,13-14H,7-12H2,1H3"	""	""	"yes"
"5143"	"AZ10417808"	""	"Synthetic organic"	""	""	""	""	"178101835"	"135665263"	""	""	"CHEMBL586058"	""	""	""	""	"2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxo-N-(prop-2-en-1-yl)-1,4-dihydroquinazoline-8-carboxamide"	""	"AZ 10417808|AZ-10417808"	"C=CCNC(=O)c1cc(cc2c1[nH]c(Nc1ccc(c(c1)Cl)Cl)nc2=O)[N+](=O)[O-]"	"VUBILPOZTRGZJK-UHFFFAOYSA-N"	"InChI=1S/C18H13Cl2N5O4/c1-2-5-21-16(26)11-7-10(25(28)29)8-12-15(11)23-18(24-17(12)27)22-9-3-4-13(19)14(20)6-9/h2-4,6-8H,1,5H2,(H,21,26)(H2,22,23,24,27)"	""	""	""
"9021"	"AZ10606120"	""	"Synthetic organic"	""	""	""	""	"315661106"	"10310632"	""	""	"CHEMBL562308"	""	""	""	""	"2-(1-adamantyl)-N-[2-[2-(2-hydroxyethylamino)ethylamino]quinolin-5-yl]acetamide"	""	"AZ 10606120|AZ-10606120|compound 43 [PMID: 19191585]|compound-17 [PMID: 18071294]"	"OCCNCCNc1ccc2c(n1)cccc2NC(=O)CC12CC3CC(C2)CC(C1)C3"	"FQMZXMVHHKXGTM-UHFFFAOYSA-N"	"InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31)"	""	""	""
"4142"	"AZ11645373"	""	"Synthetic organic"	""	""	""	""	"178100964"	"9804433"	""	""	"CHEMBL338117"	""	""	""	""	"3-{1-[4-(3-nitrophenyl)phenoxy]-4-(pyridin-4-yl)butan-2-yl}-1,3-thiazolidine-2,4-dione"	""	"AZ 11645373|AZ-11645373"	"O=C1SCC(=O)N1C(CCc1ccncc1)COc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]"	"VQEHBLGYANQWEA-UHFFFAOYSA-N"	"InChI=1S/C24H21N3O5S/c28-23-16-33-24(29)26(23)21(7-4-17-10-12-25-13-11-17)15-32-22-8-5-18(6-9-22)19-2-1-3-20(14-19)27(30)31/h1-3,5-6,8-14,21H,4,7,15-16H2"	""	""	""
"7722"	"AZ11657312 (salt free)"	""	"Synthetic organic"	""	""	""	""	"223366055"	"11193842"	""	""	"CHEMBL550637"	""	""	""	""	"2-(1-adamantyl)-N-[2-methyl-5-(9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)phenyl]acetamide"	""	""	"O=C(CC12CC3CC(C2)CC(C1)C3)Nc1cc(ccc1C)C(=O)N1CC2CNCC(C1)O2"	"XYNNEMHCLNODBL-UHFFFAOYSA-N"	"InChI=1S/C26H35N3O3/c1-16-2-3-20(25(31)29-14-21-12-27-13-22(15-29)32-21)7-23(16)28-24(30)11-26-8-17-4-18(9-26)6-19(5-17)10-26/h2-3,7,17-19,21-22,27H,4-6,8-15H2,1H3,(H,28,30)"	"yes"	""	""
"6216"	"AZ12216052"	""	"Synthetic organic"	""	""	""	""	"178102837"	"73755190"	""	""	""	""	""	""	""	"2-{[(4-bromophenyl)methyl]sulfanyl}-N-[4-(butan-2-yl)phenyl]acetamide"	""	"AZ 12216052|AZ-12216052"	"CCC(c1ccc(cc1)NC(=O)CSCc1ccc(cc1)Br)C"	"QKUYZJOTWYRWNF-UHFFFAOYSA-N"	"InChI=1S/C19H22BrNOS/c1-3-14(2)16-6-10-18(11-7-16)21-19(22)13-23-12-15-4-8-17(20)9-5-15/h4-11,14H,3,12-13H2,1-2H3,(H,21,22)"	""	""	""
"7725"	"AZ12260493"	""	"Synthetic organic"	""	""	""	""	"223366058"	"11655079"	""	""	""	""	""	""	""	"2-tert-butyl-1,1-dioxo-5-phenyl-4-[(4-piperidin-1-ylphenyl)amino]-1,2-thiazol-3-one"	""	"AZ 12260493|AZ-12260493"	"O=C1C(=C(S(=O)(=O)N1C(C)(C)C)c1ccccc1)Nc1ccc(cc1)N1CCCCC1"	"IVANYIPLGFVBGR-UHFFFAOYSA-N"	"InChI=1S/C24H29N3O3S/c1-24(2,3)27-23(28)21(22(31(27,29)30)18-10-6-4-7-11-18)25-19-12-14-20(15-13-19)26-16-8-5-9-17-26/h4,6-7,10-15,25H,5,8-9,16-17H2,1-3H3"	""	""	""
"7734"	"AZ12419304"	""	"Synthetic organic"	""	""	""	""	"223366067"	"16750158"	""	""	""	""	""	""	""	"4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]-N-[2-(trifluoromethyl)pyridin-4-yl]benzamide"	""	"AZ 12419304|AZ-12419304"	"O=C(c1ccc(c(c1)Nc1ccc2c(c1)c(=O)n(cn2)C)C)Nc1ccnc(c1)C(F)(F)F"	"QOTCLGLPFWDADD-UHFFFAOYSA-N"	"InChI=1S/C23H18F3N5O2/c1-13-3-4-14(21(32)30-16-7-8-27-20(11-16)23(24,25)26)9-19(13)29-15-5-6-18-17(10-15)22(33)31(2)12-28-18/h3-12,29H,1-2H3,(H,27,30,32)"	""	""	""
"7727"	"AZ12971554"	""	"Synthetic organic"	""	""	""	""	"223366060"	"44537923"	""	""	""	""	""	""	""	"(5S)-N-{[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]methyl}-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-4,5-dihydro-1H-pyrazole-5-carboxamide"	""	"AZ 12971554|AZ-12971554"	"O=C([C@@H]1CC=NN1C(=O)[C@@H](c1ccc(cc1)F)O)NCc1cc(Cl)ccc1n1cnnn1"	"GMKHQRCPNMGCIX-ZWKOTPCHSA-N"	"InChI=1S/C20H17ClFN7O3/c21-14-3-6-16(28-11-24-26-27-28)13(9-14)10-23-19(31)17-7-8-25-29(17)20(32)18(30)12-1-4-15(22)5-2-12/h1-6,8-9,11,17-18,30H,7,10H2,(H,23,31)/t17-,18+/m0/s1"	""	""	""
"9577"	"AZ13102909"	""	"Synthetic organic"	""	""	""	""	"336446963"	"126970684"	""	""	""	""	""	""	""	"7-{2-[3-(cyclohexylformamido)propyl]hydrazin-1-yl}-2-{4'-methoxy-[1,1'-biphenyl]-4-yl}-2H,3H,3aH-imidazo[4,5-b]pyridine-6-carboxamide"	""	"AZ909"	"COc1ccc(cc1)c1ccc(cc1)C1NC2C(=N1)C(=C(C=N2)C(=O)N)NNCCCNC(=O)C1CCCCC1"	"UMLDEMVOMRDOLS-UHFFFAOYSA-N"	"InChI=1S/C30H37N7O3/c1-40-23-14-12-20(13-15-23)19-8-10-21(11-9-19)28-35-26-25(24(27(31)38)18-33-29(26)36-28)37-34-17-5-16-32-30(39)22-6-3-2-4-7-22/h8-15,18,22,28-29,34,36-37H,2-7,16-17H2,1H3,(H2,31,38)(H,32,39)"	"yes"	""	""
"7735"	"AZ13483342"	""	"Synthetic organic"	""	""	""	""	"223366068"	"9927967"	""	""	"CHEMBL400679"	""	""	""	""	"N-(6-methoxy-4-methylquinolin-2-yl)-N'-(thiophen-3-ylmethyl)propane-1,3-diamine"	""	"AZ 13483342|AZ-13483342"	"COc1ccc2c(c1)c(C)cc(n2)NCCCNCc1cscc1"	"ZDKZIFSAJUTJSK-UHFFFAOYSA-N"	"InChI=1S/C19H23N3OS/c1-14-10-19(22-18-5-4-16(23-2)11-17(14)18)21-8-3-7-20-12-15-6-9-24-13-15/h4-6,9-11,13,20H,3,7-8,12H2,1-2H3,(H,21,22)"	""	""	""
"10676"	"AZ1366"	""	"Synthetic organic"	""	""	""	""	"404859123"	"137213562"	""	""	""	""	""	""	""	"8-(hydroxymethyl)-2-[4-[6-(2-methoxyethylamino)-4-methylpyridin-3-yl]phenyl]-3H-quinazolin-4-one"	""	"AZ-1366|compound 9 [PMID: 25815142]"	"COCCNc1ncc(c(c1)C)c1ccc(cc1)c1nc2c(CO)cccc2c(=O)[nH]1"	"PLGIKHVPQHSSON-UHFFFAOYSA-N"	"InChI=1S/C24H24N4O3/c1-15-12-21(25-10-11-31-2)26-13-20(15)16-6-8-17(9-7-16)23-27-22-18(14-29)4-3-5-19(22)24(30)28-23/h3-9,12-13,29H,10-11,14H2,1-2H3,(H,25,26)(H,27,28,30)"	""	""	""
"14667"	"AZ137"	""	"Synthetic organic"	""	""	""	""	"530846915"	"179075715"	""	""	""	""	""	""	""	""	""	"compound 28e [PMID: 42079299]"	"COC1=C2C=C3C(N=CC(C#N)=C3NC4=CC=CC(OC)=C4OCCOCCO2)=C1"	"GSOOPXWFOLVJGU-UHFFFAOYSA-N"	"InChI=1S/C22H21N3O5/c1-26-18-5-3-4-16-22(18)30-9-7-28-6-8-29-20-10-15-17(11-19(20)27-2)24-13-14(12-23)21(15)25-16/h3-5,10-11,13,25H,6-9H2,1-2H3"	""	""	""
"11939"	"AZ13824374"	""	"Synthetic organic"	""	""	""	""	"461663494"	"162422438"	""	""	""	""	""	""	""	""	""	"AZ-13824374|compound 5 [ PMID: 35133824]"	"Cc1nnc2n1nc(cc2NC1CCN(CC1)CC(C)(C)F)C(=O)N1[C@H]2Cc3ccccc3[C@@H]1[C@H](NC2=O)C(C)C"	"NGXAMXNWIHBLBN-JIMJEQGWSA-N"	"InChI=1S/C30H39FN8O2/c1-17(2)25-26-21-9-7-6-8-19(21)14-24(28(40)33-25)38(26)29(41)23-15-22(27-35-34-18(3)39(27)36-23)32-20-10-12-37(13-11-20)16-30(4,5)31/h6-9,15,17,20,24-26,32H,10-14,16H2,1-5H3,(H,33,40)/t24-,25+,26+/m0/s1"	""	""	""
"11784"	"AZ14117230"	""	"Synthetic organic"	""	""	""	""	"458923819"	"145925664"	""	""	""	""	""	""	""	"(2S,4R)-1-[(2S)-2-[5-[3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methylpyridin-2-yl]propanoylamino]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide"	""	"AZ-14117230|compound 2 [PMID: 31786184]|EED PROTAC 1"	"Fc1ccc2c(CCO2)c1CNc1ncc(c2n1cnn2)c1ccc(nc1C)CCC(=O)NCCCCC(=O)N[C@H](C(=O)N1[C@@H](C[C@H](C1)O)C(=O)NCc1ccc(cc1)c1c(ncs1)C)C(C)(C)C"	"CQSOTYMFUWTIIR-HUSBZTEESA-N"	"InChI=1S/C50H58FN11O6S/c1-29-35(38-25-55-49(62-27-57-60-46(38)62)54-24-37-36-19-21-68-41(36)17-16-39(37)51)15-13-33(58-29)14-18-42(64)52-20-7-6-8-43(65)59-45(50(3,4)5)48(67)61-26-34(63)22-40(61)47(66)53-23-31-9-11-32(12-10-31)44-30(2)56-28-69-44/h9-13,15-17,25,27-28,34,40,45,63H,6-8,14,18-24,26H2,1-5H3,(H,52,64)(H,53,66)(H,54,55)(H,59,65)/t34-,40+,45-/m1/s1"	""	""	""
"9268"	"AZ191"	""	"Synthetic organic"	""	""	""	""	"315661343"	"72716071"	""	""	"CHEMBL3421968"	""	""	""	""	"N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine"	""	"AZ-191|Compound 19  [PMID25738750]"	"COc1cc(ccc1Nc1nccc(n1)c1cn(c2c1ccnc2)C)N1CCN(CC1)C"	"ZYVXTMKTGDARKR-UHFFFAOYSA-N"	"InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28)"	""	""	""
"10233"	"AZ2"	""	"Synthetic organic"	""	""	""	""	"381744915"	"134163708"	""	""	""	""	""	""	""	"N-(5-{2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-4-methyl-1,3-thiazol-2-yl)acetamide"	""	""	"CC(=O)Nc1sc(c(n1)C)c1cc(C)c2c(c1)CN(C2=O)[C@H](C1CC1)C"	"CNCRCDLWUGCPSJ-LBPRGKRZSA-N"	"InChI=1S/C20H23N3O2S/c1-10-7-15(18-11(2)21-20(26-18)22-13(4)24)8-16-9-23(19(25)17(10)16)12(3)14-5-6-14/h7-8,12,14H,5-6,9H2,1-4H3,(H,21,22,24)/t12-/m0/s1"	"yes"	""	""
"8477"	"AZ20"	""	"Synthetic organic"	""	""	""	""	"252166686"	"46244454"	""	""	"CHEMBL2325697"	""	""	""	""	"(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine"	""	"AZ 20|AZ-20|compound 6 [PMID: 46244454]"	"C[C@@H]1COCCN1c1cc(nc(n1)c1cccc2c1cc[nH]2)C1(CC1)S(=O)(=O)C"	"SCGCBAAYLFTIJU-CQSZACIVSA-N"	"InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1"	""	""	""
"14148"	"AZ2158"	""	"Synthetic organic"	""	""	""	""	"518520775"	"56949822"	""	""	"CHEMBL1934424"	""	""	""	""	"N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-methoxycyclohexyl)-3-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide"	""	"AZ-2158"	"CO[C@H]1CCC(CC1)N2N=C(C)C(C(=O)N[C@@H](C)C(C)(C)C)=C2NS(=O)(=O)C3=CC=C(C)C=C3"	"NDFKHRWYNVKHBS-WMEOFMBSSA-N"	"InChI=1S/C25H38N4O4S/c1-16-8-14-21(15-9-16)34(31,32)28-23-22(24(30)26-18(3)25(4,5)6)17(2)27-29(23)19-10-12-20(33-7)13-11-19/h8-9,14-15,18-20,28H,10-13H2,1-7H3,(H,26,30)/t18-,19?,20-/m0/s1"	""	""	""
"12490"	"AZ2429"	""	"Synthetic organic"	""	""	""	""	"479821280"	"167993644"	""	""	""	""	""	""	""	"(1S)-4-[(2S)-2-[(1-benzyl-1H-1,2,3-triazol-4-yl)formamido]-3-cyclohexylpropanamido]-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide"	""	""	"CNC(=O)[C@H]1CCC(NC(=O)[C@H](CC2CCCCC2)NC(=O)C3=CN(CC4=CC=CC=C4)N=N3)C5=C1C=CC=C5"	"SSFQUKJKELJMIP-LLOGBAKRSA-N"	"InChI=1S/C31H38N6O3/c1-32-29(38)25-16-17-26(24-15-9-8-14-23(24)25)33-30(39)27(18-21-10-4-2-5-11-21)34-31(40)28-20-37(36-35-28)19-22-12-6-3-7-13-22/h3,6-9,12-15,20-21,25-27H,2,4-5,10-11,16-19H2,1H3,(H,32,38)(H,33,39)(H,34,40)/t25-,26?,27-/m0/s1"	""	""	""
"9400"	"AZ3146"	""	"Synthetic organic"	""	""	""	""	"328083502"	"56973724"	""	""	"CHEMBL2140523"	""	""	""	""	"9-cyclopentyl-2-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-7-methylpurin-8-one"	""	""	"COc1cc(ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2C)OC1CCN(CC1)C"	"YUKWVHPTFRQHMF-UHFFFAOYSA-N"	"InChI=1S/C24H32N6O3/c1-28-12-10-17(11-13-28)33-18-8-9-19(21(14-18)32-3)26-23-25-15-20-22(27-23)30(24(31)29(20)2)16-6-4-5-7-16/h8-9,14-17H,4-7,10-13H2,1-3H3,(H,25,26,27)"	""	""	""
"13722"	"AZ3246"	""	"Synthetic organic"	""	""	""	""	"507750356"	"166485054"	""	""	""	""	""	""	""	"5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrazine-2-carboxamide"	""	"AZ-3246|compound 24 [PMID: 39928839]"	"FC(F)(F)CN1N=C(C(=C1)NC2=NC(=C(N=C2C(=O)N)C3=C4N=CN(C4=CN=C3)C)C5CC5)C"	"YLGMPWWMPCGYBF-UHFFFAOYSA-N"	"InChI=1S/C21H20F3N9O/c1-10-13(7-33(31-10)8-21(22,23)24)28-20-18(19(25)34)29-17(15(30-20)11-3-4-11)12-5-26-6-14-16(12)27-9-32(14)2/h5-7,9,11H,3-4,8H2,1-2H3,(H2,25,34)(H,28,30)"	"yes"	""	""
"9560"	"AZ3451"	""	"Synthetic organic"	""	""	""	""	"336446946"	"126961335"	""	""	""	""	""	""	""	"2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide"	""	""	"N#Cc1ccc(cc1)NC(=O)c1ccc2c(c1)nc(n2[C@H](C1CCCCC1)C)c1cc2OCOc2cc1Br"	"FJAOGFGHTPYADT-SFHVURJKSA-N"	"InChI=1S/C30H27BrN4O3/c1-18(20-5-3-2-4-6-20)35-26-12-9-21(30(36)33-22-10-7-19(16-32)8-11-22)13-25(26)34-29(35)23-14-27-28(15-24(23)31)38-17-37-27/h7-15,18,20H,2-6,17H2,1H3,(H,33,36)/t18-/m0/s1"	"yes"	""	""
"7804"	"AZ3971"	""	"Synthetic organic"	""	""	""	""	"223366135"	"49858172"	""	""	""	""	""	""	""	"(5S)-5-(4-methoxy-3,5-dimethylphenyl)-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyrazin-7-amine"	""	"AZ 3971|AZ-3971"	"COc1c(C)cc(cc1C)[C@@]1(N=C(c2c1nccn2)N)c1cccc(c1)c1cncnc1"	"BICGYFRWDDPYEI-VWLOTQADSA-N"	"InChI=1S/C25H22N6O/c1-15-9-20(10-16(2)22(15)32-3)25(23-21(24(26)31-25)29-7-8-30-23)19-6-4-5-17(11-19)18-12-27-14-28-13-18/h4-14H,1-3H3,(H2,26,31)/t25-/m0/s1"	""	""	""
"6939"	"AZ-4217"	""	"Synthetic organic"	""	""	""	""	"178103521"	"57406537"	""	""	"CHEMBL2152903"	""	""	""	""	"5-[(1R)-3-amino-4-fluoro-1-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}-1H-isoindol-1-yl]-1-ethyl-3-methyl-1,2-dihydropyridin-2-one"	""	"AZ 4217|AZ4217"	"CC#Cc1cncc(c1)c1cccc(c1)[C@]1(N=C(c2c1cccc2F)N)c1cc(C)c(=O)n(c1)CC"	"TUGLMYZSOPKJOA-PMERELPUSA-N"	"InChI=1S/C30H25FN4O/c1-4-8-20-14-22(17-33-16-20)21-9-6-10-23(15-21)30(24-13-19(3)29(36)35(5-2)18-24)25-11-7-12-26(31)27(25)28(32)34-30/h6-7,9-18H,5H2,1-3H3,(H2,32,34)/t30-/m0/s1"	""	""	""
"7805"	"AZ4800"	""	"Synthetic organic"	""	""	""	""	"223366136"	"50996844"	""	""	"CHEMBL2151176"	""	""	""	""	"4-(cyclopentyloxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine"	""	"AZ 4800|AZ-4800"	"COc1cc(ccc1n1cnc(c1)C)Nc1nc2CCOCc2c(n1)COC1CCCC1"	"RMRFSIAFQBYBSN-UHFFFAOYSA-N"	"InChI=1S/C24H29N5O3/c1-16-12-29(15-25-16)22-8-7-17(11-23(22)30-2)26-24-27-20-9-10-31-13-19(20)21(28-24)14-32-18-5-3-4-6-18/h7-8,11-12,15,18H,3-6,9-10,13-14H2,1-2H3,(H,26,27,28)"	""	""	""
"7021"	"AZ505"	""	"Synthetic organic"	""	""	""	""	"178103600"	"24961094"	""	""	"CHEMBL2169920"	""	""	""	""	"N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-[2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethylamino]ethyl]propanamide"	""	"AZ 505|AZ-505"	"O=C1COc2c(N1)c(O)ccc2CCNCCN(C(=O)CCNCCc1ccc(c(c1)Cl)Cl)C1CCCCC1"	"LIBVHXXKHSODII-UHFFFAOYSA-N"	"InChI=1S/C29H38Cl2N4O4/c30-23-8-6-20(18-24(23)31)10-13-32-15-12-27(38)35(22-4-2-1-3-5-22)17-16-33-14-11-21-7-9-25(36)28-29(21)39-19-26(37)34-28/h6-9,18,22,32-33,36H,1-5,10-17,19H2,(H,34,37)"	""	""	""
"11580"	"AZ5104"	""	"Synthetic organic"	""	""	""	""	"441604952"	"71496460"	""	""	"CHEMBL3353411"	""	""	""	""	""	""	"AZ-5104"	"C=CC(=O)Nc1cc(Nc2nccc(n2)c2c[nH]c3c2cccc3)c(cc1N(CCN(C)C)C)OC"	"IQNVEOMHJHBNHC-UHFFFAOYSA-N"	"InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32)"	""	""	""
"11779"	"AZ6102"	""	"Synthetic organic"	""	""	""	""	"458923814"	"135905416"	""	""	"CHEMBL4101890"	""	""	""	""	""	""	"AZ-6102|compound 25 [PMID: 25815142]"	"C[C@@H]1CN(C[C@@H](N1)C)c1ncc(c(c1)C)c1ccc(cc1)c1nc2c(ccn2C)c(=O)[nH]1"	"WCPTUQOMNJBIET-CALCHBBNSA-N"	"InChI=1S/C25H28N6O/c1-15-11-22(31-13-16(2)27-17(3)14-31)26-12-21(15)18-5-7-19(8-6-18)23-28-24-20(25(32)29-23)9-10-30(24)4/h5-12,16-17,27H,13-14H2,1-4H3,(H,28,29,32)/t16-,17+"	""	""	""
"8475"	"AZ628"	""	"Synthetic organic"	""	""	""	""	"252166684"	"11676786"	""	""	"CHEMBL2144069"	""	""	""	""	"3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide"	""	"AZ 628|AZ-628"	"N#CC(c1cccc(c1)C(=O)Nc1ccc(c(c1)Nc1ccc2c(c1)c(=O)n(cn2)C)C)(C)C"	"ZGBGPEDJXCYQPH-UHFFFAOYSA-N"	"InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)"	""	""	""
"9586"	"AZ7188"	""	"Synthetic organic"	""	""	""	""	"340590217"	"129320516"	""	""	""	""	""	""	""	"2,3-dihydro-1'H-[2,3'-biindole]-1-carbaldehyde"	""	""	"O=CN1c2ccccc2CC1c1c[nH]c2c1cccc2"	"GFACBUCIUAKRSV-UHFFFAOYSA-N"	"InChI=1S/C17H14N2O/c20-11-19-16-8-4-1-5-12(16)9-17(19)14-10-18-15-7-3-2-6-13(14)15/h1-8,10-11,17-18H,9H2"	"yes"	""	""
"9585"	"AZ8838"	""	"Synthetic organic"	""	""	""	""	"340590216"	"126961334"	""	""	""	""	""	""	""	"(S)-(4-fluoro-2-propylphenyl)(1H-imidazol-2-yl)methanol"	""	""	"CCCc1cc(F)ccc1[C@@H](c1ncc[nH]1)O"	"IDFPQEHZYBXIFO-LBPRGKRZSA-N"	"InChI=1S/C13H15FN2O/c1-2-3-9-8-10(14)4-5-11(9)12(17)13-15-6-7-16-13/h4-8,12,17H,2-3H2,1H3,(H,15,16)/t12-/m0/s1"	"yes"	""	""
"8476"	"AZ960"	""	"Synthetic organic"	""	""	""	""	"252166685"	"25099184"	""	""	"CHEMBL1774055"	""	""	""	""	"5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile"	""	"AZ 960|AZ-960"	"N#Cc1cc(F)c(nc1N[C@H](c1ccc(cc1)F)C)Nc1n[nH]c(c1)C"	"SUNXHXDJOIXABJ-NSHDSACASA-N"	"InChI=1S/C18H16F2N6/c1-10-7-16(26-25-10)23-18-15(20)8-13(9-21)17(24-18)22-11(2)12-3-5-14(19)6-4-12/h3-8,11H,1-2H3,(H3,22,23,24,25,26)/t11-/m0/s1"	""	""	""
"6796"	"azacitidine"	""	"Synthetic organic"	"yes"	""	""	""	"178103402"	"9444"	""	""	"CHEMBL1489"	""	""	""	""	"4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one"	"azacitidine"	"5-AZAC|5-azacytidine|ladakamycin|Onureg&reg;|Onureg&reg; (CC-486; oral azacitidine)|U-18496|Vidaza&reg;"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N"	"NMUSYJAQQFHJEW-KVTDHHQDSA-N"	"InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1"	"yes"	""	""
"8799"	"azalanstat"	""	"Synthetic organic"	""	""	""	""	"252827457"	"60876"	""	""	"CHEMBL70611"	""	""	""	""	"4-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline"	"azalanstat"	"compound 1 [PMID: 8340925]|RS-21607197"	"Nc1ccc(cc1)SC[C@@H]1CO[C@](O1)(CCc1ccc(cc1)Cl)Cn1ccnc1"	"VYNIUBZKEWJOJP-UNMCSNQZSA-N"	"InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1"	""	""	""
"9221"	"azapro-3"	""	"Peptide"	""	""	""	""	"315661297"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"2285"	"azasetron"	""	"Synthetic organic"	"yes"	""	""	""	"135649974"	"2264"	""	""	"CHEMBL1598608"	""	""	""	""	"N-(1-azabicyclo[2.2.2]octan-8-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide"	"azasetron"	"Y-25130"	"Clc1cc2N(C)C(=O)COc2c(c1)C(=O)NC1CN2CCC1CC2"	"WUKZPHOXUVCQOR-UHFFFAOYSA-N"	"InChI=1S/C17H20ClN3O3/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23)"	""	""	""
"7119"	"azatadine"	""	"Synthetic organic"	"yes"	""	""	""	"178103696"	"19861"	""	""	"CHEMBL946"	""	""	""	""	"11-(1-methylpiperidin-4-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[3,4-b]pyridine"	"azatadine"	"Optimine&reg;|SCH-10649"	"CN1CCC(=C2c3ccccc3CCc3c2nccc3)CC1"	"SEBMTIQKRHYNIT-UHFFFAOYSA-N"	"InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3"	"yes"	""	""
"7120"	"azathioprine"	""	"Synthetic organic"	"yes"	""	""	""	"178103697"	"2265"	""	""	"CHEMBL1542"	""	""	""	""	"6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-9H-purine"	"azathioprine"	"Azasan&reg;|BW-57-322|Imuran&reg;|Jayempi&reg;"	"Cn1cnc(c1Sc1ncnc2c1nc[nH]2)N(=O)=O"	"LMEKQMALGUDUQG-UHFFFAOYSA-N"	"InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)"	"yes"	""	""
"4143"	"aza-THIP"	""	"Synthetic organic"	""	""	""	""	"178100965"	"55285412"	""	""	""	""	""	""	""	"1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-3-ol"	""	""	"Oc1n[nH]c2c1CCNC2"	"UPMMUUFLHUEUKP-UHFFFAOYSA-N"	"InChI=1S/C6H9N3O/c10-6-4-1-2-7-3-5(4)8-9-6/h7H,1-3H2,(H2,8,9,10)"	""	""	""
"9942"	"AZD0156"	""	"Synthetic organic"	""	""	""	""	"363894236"	"118502708"	""	""	""	""	""	""	""	"8-[6-[3-(dimethylamino)propoxy]pyridin-3-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one"	""	"compound 64  [PMID: 29683659]"	"CN(CCCOc1ccc(cn1)c1ccc2c(c1)c1c(cn2)n(c(=O)n1C1CCOCC1)C)C"	"AOTRIQLYUAFVSC-UHFFFAOYSA-N"	"InChI=1S/C26H31N5O3/c1-29(2)11-4-12-34-24-8-6-19(16-28-24)18-5-7-22-21(15-18)25-23(17-27-22)30(3)26(32)31(25)20-9-13-33-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3"	""	""	""
"14193"	"AZD0233"	""	"Synthetic organic"	""	""	""	""	"518520820"	"171522487"	""	""	""	""	""	""	""	"N-[4-[(2R)-2-(4-fluoro-6-methoxypyridin-3-yl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide"	""	"AZD-0233|example 46 (isomer 2) [WO2024083933]"	"COC1=NC=C([C@H](C)CC2=NC(N[C@@H](CO)CC(C)C)=NC(NS(C)(=O)=O)=N2)C(F)=C1"	"BJHGVSXKHJAFFX-CHWSQXEVSA-N"	"InChI=1S/C19H29FN6O4S/c1-11(2)6-13(10-27)22-18-23-16(24-19(25-18)26-31(5,28)29)7-12(3)14-9-21-17(30-4)8-15(14)20/h8-9,11-13,27H,6-7,10H2,1-5H3,(H2,22,23,24,25,26)/t12-,13-/m1/s1"	""	""	""
"11711"	"AZD0284"	""	"Synthetic organic"	""	""	""	""	"442878737"	"129205086"	""	""	""	""	""	""	""	""	""	"AZD-0284|compound 20 [PMID: 34464130]"	"FC(F)(F)C(O)(C(F)(F)F)c1ccc(cc1)NC(=O)[C@@H]1N(Cc2c1ccc(c2)S(=O)(=O)C)C(=O)C"	"QYYZXEPEVBXNNA-QGZVFWFLSA-N"	"InChI=1S/C21H18F6N2O5S/c1-11(30)29-10-12-9-15(35(2,33)34)7-8-16(12)17(29)18(31)28-14-5-3-13(4-6-14)19(32,20(22,23)24)21(25,26)27/h3-9,17,32H,10H2,1-2H3,(H,28,31)/t17-/m1/s1"	"yes"	""	""
"7697"	"AZD0328"	""	"Synthetic organic"	""	""	""	""	"223366030"	"9794392"	""	""	"CHEMBL2151437"	""	""	""	""	"(8R)-spiro[1-azabicyclo[2.2.2]octane-8,2'-3H-furo[5,4-b]pyridine]"	""	"AZD 0328|AZD-0328"	"c1cnc2c(c1)C[C@]1(O2)CN2CCC1CC2"	"OCKIPDMKGPYYJS-ZDUSSCGKSA-N"	"InChI=1S/C13H16N2O/c1-2-10-8-13(16-12(10)14-5-1)9-15-6-3-11(13)4-7-15/h1-2,5,11H,3-4,6-9H2/t13-/m0/s1"	""	""	""
"7819"	"AZD1080"	""	"Synthetic organic"	""	""	""	""	"223366150"	"135564570"	""	""	""	""	""	""	""	"(3E)-3-[5-(morpholin-4-ylmethyl)-1H-pyridin-2-ylidene]-2-oxo-1H-indole-5-carbonitrile"	""	"AZD 1080|AZD-1080|KB-160506"	"N#Cc1ccc2c(c1)/C(=c\1/ccc(c[nH]1)CN1CCOCC1)/C(=O)N2"	"JULOXTBHCHEFBE-ISLYRVAYSA-N"	"InChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,21H,5-8,12H2,(H,22,24)/b18-17+"	""	""	""
"7698"	"AZD1208"	""	"Synthetic organic"	""	""	""	""	"223366031"	"58423153"	""	""	"CHEMBL2048872"	""	""	""	""	"(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-phenylphenyl]methylidene]-1,3-thiazolidine-2,4-dione"	""	"AZD 1208|AZD-1208"	"N[C@@H]1CCCN(C1)c1c(cccc1c1ccccc1)/C=C/1\SC(=O)NC1=O"	"MCUJKPPARUPFJM-UWCCDQBKSA-N"	"InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/b18-12-/t16-/m1/s1"	""	""	""
"7844"	"AZD1236"	""	"Synthetic organic"	""	""	""	""	"223366174"	"24751752"	""	""	""	""	""	""	""	"(5S)-5-[[4-(5-chloropyridin-2-yl)oxypiperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione"	""	"AZD 1236|AZD-1236"	"O=C1NC(=O)[C@@](N1)(C)CS(=O)(=O)N1CCC(CC1)Oc1ccc(cn1)Cl"	"SFJFBTPHDHUUPU-OAHLLOKOSA-N"	"InChI=1S/C15H19ClN4O5S/c1-15(13(21)18-14(22)19-15)9-26(23,24)20-6-4-11(5-7-20)25-12-3-2-10(16)8-17-12/h2-3,8,11H,4-7,9H2,1H3,(H2,18,19,21,22)/t15-/m1/s1"	"yes"	""	""
"7360"	"AZD1283"	""	"Synthetic organic"	""	""	""	""	"178103932"	"23649325"	""	""	"CHEMBL2419490"	""	""	""	""	"ethyl 5-cyano-2-methyl-6-[4-(phenylmethylsulfonylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylate"	""	"AZD 1283|AZD-1283"	"CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1"	"NEMHKCNXXRQYRF-UHFFFAOYSA-N"	"InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28)"	""	""	""
"7700"	"AZD1332"	""	"Synthetic organic"	""	""	""	""	"223366033"	"49831044"	""	""	"CHEMBL2007421"	""	""	""	""	"5-chloro-2-N-[1-(5-fluoropyridin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine"	""	"AZD 1332|AZD-1332"	"CC(Oc1n[nH]c(c1)Nc1nc(ncc1Cl)NC(c1ccc(cn1)F)C)C"	"LBVKEEFIPBQIMD-UHFFFAOYSA-N"	"InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)"	""	""	""
"7820"	"AZD1386"	""	"Synthetic organic"	""	""	""	""	"223366151"	"24752296"	""	""	""	""	""	""	""	"5'-chloro-7'-methyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione"	""	"AZ12457709|AZD 1386|AZD-1386|KB-270807"	"O=C1NC(=O)C2(N1)c1cc(Cl)cc(c1N(C2=O)Cc1cccc(c1)C(F)(F)F)C"	"DXDVSYALLVVBOV-UHFFFAOYSA-N"	"InChI=1S/C19H13ClF3N3O3/c1-9-5-12(20)7-13-14(9)26(16(28)18(13)15(27)24-17(29)25-18)8-10-3-2-4-11(6-10)19(21,22)23/h2-7H,8H2,1H3,(H2,24,25,27,29)"	""	""	""
"5933"	"AZD1480"	""	"Synthetic organic"	""	""	""	""	"178102556"	"16659841"	""	""	"CHEMBL1231124"	""	""	""	""	"5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine"	""	"AZD 1480|AZD-1480"	"Fc1cnc(nc1)[C@@H](Nc1ncc(c(n1)Nc1[nH]nc(c1)C)Cl)C"	"PDOQBOJDRPLBQU-QMMMGPOBSA-N"	"InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1"	""	""	""
"7701"	"AZD1656"	""	"Synthetic organic"	""	""	""	""	"223366034"	"16039797"	""	""	"CHEMBL3219124"	""	""	""	""	"3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(5-methylpyrazin-2-yl)benzamide"	""	"AZD 1656|AZD-1656"	"COC[C@@H](Oc1cc(Oc2ncc(nc2)C(=O)N2CCC2)cc(c1)C(=O)Nc1ncc(nc1)C)C"	"FJEJHJINOKKDCW-INIZCTEOSA-N"	"InChI=1S/C24H26N6O5/c1-15-10-27-21(12-25-15)29-23(31)17-7-18(34-16(2)14-33-3)9-19(8-17)35-22-13-26-20(11-28-22)24(32)30-5-4-6-30/h7-13,16H,4-6,14H2,1-3H3,(H,27,29,31)/t16-/m0/s1"	""	""	""
"9679"	"AZD1678"	""	"Synthetic organic"	""	""	""	""	"348353638"	"23585443"	""	""	""	""	""	""	""	"2,3-dichloro-N-(5-fluoro-3-methoxypyrazin-2-yl)benzenesulfonamide"	""	"AZD-1678|compound 49 [PMID: 28947948]"	"COc1nc(F)cnc1NS(=O)(=O)c1cccc(c1Cl)Cl"	"NWSUDJQTTGDPIR-UHFFFAOYSA-N"	"InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)"	"yes"	""	""
"12754"	"AZD1940"	""	"Synthetic organic"	""	""	""	""	"483123302"	"11675994"	""	""	"CHEMBL4550236"	""	""	""	""	"N-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]ethanesulfonamide"	""	"AZD-1940"	"C(C)(C)(C)C1=NC2=C(N1CC3CCC(CC3)(F)F)C=CC(=C2)NS(=O)(=O)CC"	"ZAGGGZCIFUQHOH-UHFFFAOYSA-N"	"InChI=1S/C20H29F2N3O2S/c1-5-28(26,27)24-15-6-7-17-16(12-15)23-18(19(2,3)4)25(17)13-14-8-10-20(21,22)11-9-14/h6-7,12,14,24H,5,8-11,13H2,1-4H3"	""	""	""
"7680"	"AZD1981"	""	"Synthetic organic"	""	""	""	""	"223366015"	"11292191"	""	""	"CHEMBL1914489"	""	""	""	""	"2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid"	""	"AZD 1981|AZD-1981"	"CC(=O)Nc1cccc2c1c(Sc1ccc(cc1)Cl)c(n2CC(=O)O)C"	"JWYIGNODXSRKGP-UHFFFAOYSA-N"	"InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25)"	"yes"	""	""
"9678"	"AZD2098"	""	"Synthetic organic"	""	""	""	""	"348353637"	"10308720"	""	""	""	""	""	""	""	"2,3-dichloro-N-(3-methoxypyrazin-2-yl)benzenesulfonamide"	""	"AZD-2098|compound 47 [PMID: 28947948]"	"COc1nccnc1NS(=O)(=O)c1cccc(c1Cl)Cl"	"FLSMVCMSUNISFK-UHFFFAOYSA-N"	"InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)"	"yes"	""	""
"13842"	"AZD2389"	""	"Synthetic organic"	""	""	""	""	"513757527"	"164532637"	""	""	""	""	""	""	""	"N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide"	""	"AZD-2389|example 67 [WO2022130270A1]"	"O=C(CNC(=O)C1=C2C=C(C=CC2=NC=C1)N3CCOCC3)N4CSC[C@H]4C#N"	"GECJKRWOVGXGCO-OAHLLOKOSA-N"	"InChI=1S/C20H21N5O3S/c21-10-15-12-29-13-25(15)19(26)11-23-20(27)16-3-4-22-18-2-1-14(9-17(16)18)24-5-7-28-8-6-24/h1-4,9,15H,5-8,11-13H2,(H,23,27)/t15-/m1/s1"	""	""	""
"7825"	"AZD2423"	""	"Synthetic organic"	""	""	""	""	"223366156"	"46213922"	""	""	""	""	""	""	""	"4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide"	""	"AZD 2423|AZD-2423"	"O=C(N1CCN(CC1)C(=O)[C@@H]1NCCN(C1)C(C)C)Nc1ccc(c(c1)F)Cl"	"WERHXSXPOAOBJV-QGZVFWFLSA-N"	"InChI=1S/C19H27ClFN5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1"	"yes"	""	""
"8472"	"AZD2461"	""	"Synthetic organic"	""	""	""	""	"252166681"	"44199317"	""	""	""	""	""	""	""	"4-[[4-fluoro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one"	""	"AZD 2461|AZD-2461"	"COC1CCN(CC1)C(=O)c1cc(ccc1F)Cc1n[nH]c(=O)c2c1cccc2"	"HYNBNUYQTQIHJK-UHFFFAOYSA-N"	"InChI=1S/C22H22FN3O3/c1-29-15-8-10-26(11-9-15)22(28)18-12-14(6-7-19(18)23)13-20-16-4-2-3-5-17(16)21(27)25-24-20/h2-7,12,15H,8-11,13H2,1H3,(H,25,27)"	""	""	""
"8478"	"AZD2858"	""	"Synthetic organic"	""	""	""	""	"252166687"	"10138980"	""	""	"CHEMBL2177161"	""	""	""	""	"3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide"	""	"AZD 2858|AZD-2858|compound 18 [PMID: 22489897]"	"CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)c1cnc(c(n1)C(=O)Nc1cccnc1)N"	"FHCSBLWRGCOVPT-UHFFFAOYSA-N"	"InChI=1S/C21H23N7O3S/c1-27-9-11-28(12-10-27)32(30,31)17-6-4-15(5-7-17)18-14-24-20(22)19(26-18)21(29)25-16-3-2-8-23-13-16/h2-8,13-14H,9-12H2,1H3,(H2,22,24)(H,25,29)"	""	""	""
"11780"	"AZD2906"	""	"Synthetic organic"	""	""	""	""	"458923815"	"25013811"	""	""	"CHEMBL3937635"	""	""	""	""	"N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)propan-2-yl]cyclopropanecarboxamide"	""	"AZD-2906|compound 4 [PMID: 29424542]"	"C[C@@H]([C@@H](c1cnc(cc1)OC)Oc1cc2c(cc1)n(nc2)c1ccc(cc1)F)NC(=O)C1CC1"	"YDRQCGICZKAGCQ-LMKMVOKYSA-N"	"InChI=1S/C26H25FN4O3/c1-16(30-26(32)17-3-4-17)25(18-5-12-24(33-2)28-14-18)34-22-10-11-23-19(13-22)15-29-31(23)21-8-6-20(27)7-9-21/h5-17,25H,3-4H2,1-2H3,(H,30,32)/t16-,25-/m0/s1"	""	""	""
"7704"	"AZD2927"	""	"Synthetic organic"	""	""	""	""	"223366037"	"57345449"	""	""	""	""	""	""	""	"4-fluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide"	""	"AZD 2927|AZD-2927"	"OC1CN(C1)C[C@@H](N(C(=O)c1ccc(c(c1)C)F)C)C(C)C"	"GAHPWXLXWUVMIV-MRXNPFEDSA-N"	"InChI=1S/C17H25FN2O2/c1-11(2)16(10-20-8-14(21)9-20)19(4)17(22)13-5-6-15(18)12(3)7-13/h5-7,11,14,16,21H,8-10H2,1-4H3/t16-/m1/s1"	""	""	""
"8027"	"AZD3409"	""	"Synthetic organic"	""	""	""	""	"249565707"	"56603668"	""	""	""	""	""	""	""	"propan-2-yl (2S)-2-[1-[2-(2-fluoroethyl)-5-[[(2S,5S)-5-(pyridine-3-carbonylsulfanyl)pyrrolidin-2-yl]methylamino]phenyl]ethenylamino]-4-methylsulfanylbutanoate"	""	"AZD 3409|AZD-3409"	"FCCc1ccc(cc1C(=C)N[C@H](C(=O)OC(C)C)CCSC)NC[C@@H]1CC[C@@H](N1)SC(=O)c1cccnc1"	"GIJNHMGFNKZBIR-URORMMCBSA-N"	"InChI=1S/C29H39FN4O3S2/c1-19(2)37-28(35)26(12-15-38-4)33-20(3)25-16-23(8-7-21(25)11-13-30)32-18-24-9-10-27(34-24)39-29(36)22-6-5-14-31-17-22/h5-8,14,16-17,19,24,26-27,32-34H,3,9-13,15,18H2,1-2,4H3/t24-,26-,27-/m0/s1"	""	""	""
"9997"	"AZD3458"	""	"Synthetic organic"	""	""	""	""	"374883884"	"134611894"	""	""	"CHEMBL4126156"	""	""	""	""	""	""	"AZD-3458|compound 15 [PMID: 29852070]"	"CC(=O)Nc1sc(c(n1)C)c1cc2CN(C(=O)c2c(c1)S(=O)(=O)C)[C@H](C1CC1)C"	"PAQUFWFUOVDUIO-NSHDSACASA-N"	"InChI=1S/C20H23N3O4S2/c1-10-18(28-20(21-10)22-12(3)24)14-7-15-9-23(11(2)13-5-6-13)19(25)17(15)16(8-14)29(4,26)27/h7-8,11,13H,5-6,9H2,1-4H3,(H,21,22,24)/t11-/m0/s1"	"yes"	""	""
"7706"	"AZD3463"	""	"Synthetic organic"	""	""	""	""	"223366039"	"56599293"	""	""	""	""	""	""	""	"N-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine"	""	"AZD-3463|CS-1382|HY-15609|KB-154896"	"COc1cc(ccc1Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)N1CCC(CC1)N"	"GCYIGMXOIWJGBU-UHFFFAOYSA-N"	"InChI=1S/C24H25ClN6O/c1-32-22-12-16(31-10-8-15(26)9-11-31)6-7-21(22)29-24-28-14-19(25)23(30-24)18-13-27-20-5-3-2-4-17(18)20/h2-7,12-15,27H,8-11,26H2,1H3,(H,28,29,30)"	""	""	""
"14672"	"AZD3632"	""	"Synthetic organic"	""	""	""	""	"530846920"	"172193328"	""	""	""	""	""	""	""	"2-[3-[1-[(2S)-5,5-dimethylpyrrolidine-2-carbonyl]piperidine-4-carbonyl]-2-methylpyrrolo[2,3-c]pyridin-1-yl]-5-fluoro-N,N-di(propan-2-yl)benzamide"	""	"example 56-1 [WO2024201240]"	"C1=2C(C(C3CCN(C([C@H]4NC(C)(C)CC4)=O)CC3)=O)=C(C)N(C=5C(C(N(C(C)C)C(C)C)=O)=CC(F)=CC5)C1=CN=CC2"	"SVCCZXAYHYYWPC-MHZLTWQESA-N"	"InChI=1S/C34H44FN5O3/c1-20(2)39(21(3)4)32(42)26-18-24(35)8-9-28(26)40-22(5)30(25-11-15-36-19-29(25)40)31(41)23-12-16-38(17-13-23)33(43)27-10-14-34(6,7)37-27/h8-9,11,15,18-21,23,27,37H,10,12-14,16-17H2,1-7H3/t27-/m0/s1"	""	""	""
"7679"	"AZD3778"	""	"Synthetic organic"	""	""	""	""	"223366014"	"11753159"	""	""	"CHEMBL2158814"	""	""	""	""	"4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide"	""	"AZD 3778|AZD-3778"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(c(c1)Cl)Cl"	"QVLZVRFIGXNZMN-UHFFFAOYSA-N"	"InChI=1S/C24H29Cl2N3O4S/c1-17-2-5-21(6-3-17)34(31,32)27-24(30)29-12-8-18(9-13-29)28-14-10-19(11-15-28)33-20-4-7-22(25)23(26)16-20/h2-7,16,18-19H,8-15H2,1H3,(H,27,30)"	""	""	""
"6931"	"AZD3839"	""	"Synthetic organic"	""	""	""	""	"178103513"	"60210951"	""	""	""	""	""	""	""	"(3S)-3-[2-(difluoromethyl)pyridin-4-yl]-7-fluoro-3-[3-(pyrimidin-5-yl)phenyl]-2,3-dihydro-1H-isoindol-1-amine"	""	"AZD 3839|AZD-3839"	"FC(c1nccc(c1)[C@@]1(NC(c2c1cccc2F)N)c1cccc(c1)c1cncnc1)F"	"QXKYWSDUVAJHNZ-CGAIIQECSA-N"	"InChI=1S/C24H18F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22-23,32H,28H2/t23?,24-/m0/s1"	""	""	""
"10605"	"AZD3965"	""	"Synthetic organic"	""	""	""	""	"404859052"	"10369242"	""	""	""	""	""	""	""	"5-[(4S)-4-hydroxy-4-methyl-1,2-oxazolidine-2-carbonyl]-3-methyl-6-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione"	""	"AZD-3965"	"O=C(c1c(Cc2c(C)[nH]nc2C(F)(F)F)sc2c1c(=O)n(c(=O)n2C(C)C)C)N1OC[C@@](C1)(C)O"	"PRNXOFBDXNTIFG-FQEVSTJZSA-N"	"InChI=1S/C21H24F3N5O5S/c1-9(2)29-18-14(16(30)27(5)19(29)32)13(17(31)28-7-20(4,33)8-34-28)12(35-18)6-11-10(3)25-26-15(11)21(22,23)24/h9,33H,6-8H2,1-5H3,(H,25,26)/t20-/m0/s1"	"yes"	""	""
"7695"	"AZD4017"	""	"Synthetic organic"	""	""	""	""	"223366028"	"24946280"	""	""	"CHEMBL2153191"	""	""	""	""	"2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]piperidin-3-yl]acetic acid"	""	"AZD 4017|AZD-4017"	"CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@H](C1)CC(=O)O"	"NCDZABJPWMBMIQ-INIZCTEOSA-N"	"InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1"	""	""	""
"11781"	"AZD4320"	""	"Synthetic organic"	""	""	""	""	"458923816"	"86661883"	""	""	"CHEMBL3703600"	""	""	""	""	""	""	"AZD-4320|Example 3 [US9248140B2]"	"CN(CC[C@H](CSc1ccccc1)Nc1c(cc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@H](c1ccccc1c1ccc(cc1)Cl)O)S(=O)(=O)C(F)(F)F)CCO"	"UNEJSHNDABUZNY-UJNHCCGESA-N"	"InChI=1S/C45H48ClF3N4O7S3/c1-52(27-28-54)24-23-35(30-61-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)62(57,58)45(47,48)49)63(59,60)51-44(56)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(55)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54-55H,21-28,30H2,1H3,(H,51,56)/t35-,43-/m1/s1"	""	""	""
"7821"	"AZD4619"	""	"Synthetic organic"	""	""	""	""	"223366152"	"58679582"	""	""	""	""	""	""	""	"2-[2-(4-methylphenyl)ethylsulfanyl]-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoic acid"	""	"AZ11942571|AZD 4619|AZD-4619"	"Cc1ccc(cc1)CCSC(C(=O)O)Cc1ccc(cc1)CCOc1ccc(cc1)OS(=O)(=O)C"	"CIHMPKKTGUOBBS-UHFFFAOYSA-N"	"InChI=1S/C27H30O6S2/c1-20-3-5-22(6-4-20)16-18-34-26(27(28)29)19-23-9-7-21(8-10-23)15-17-32-24-11-13-25(14-12-24)33-35(2,30)31/h3-14,26H,15-19H2,1-2H3,(H,28,29)"	""	""	""
"11978"	"AZD4625"	""	"Synthetic organic"	""	""	""	""	"464244119"	"146250992"	""	""	""	""	""	""	""	""	""	"AZD-4625|compound 21 [PMID: 35471939]"	"C[C@@H]1CN2c3c4c(c(c(c(c4OCC[C@H]2CN1C(=O)C=C)Cl)c1c(cccc1F)O)F)ncn3"	"KYVBBJIEKCCZTM-OLZOCXBDSA-N"	"InChI=1S/C24H21ClF2N4O3/c1-3-16(33)30-10-13-7-8-34-23-19-22(28-11-29-24(19)31(13)9-12(30)2)21(27)18(20(23)25)17-14(26)5-4-6-15(17)32/h3-6,11-13,32H,1,7-10H2,2H3/t12-,13+/m1/s1"	""	""	""
"7708"	"AZD4877"	""	"Synthetic organic"	""	""	""	""	"223366041"	"10368812"	""	""	"CHEMBL1829433"	""	""	""	""	"N-(3-aminopropyl)-4-methyl-N-[2-methyl-1-[3-methyl-4-oxo-5-(phenylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]propyl]benzamide"	""	"AZD 4877|AZD-4877|cc-722"	"NCCCN(C(c1nc2snc(c2c(=O)n1Cc1ccccc1)C)C(C)C)C(=O)c1ccc(cc1)C"	"SMFXSYMLJDHGIE-UHFFFAOYSA-N"	"InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3"	""	""	""
"8948"	"AZD5069"	""	"Synthetic organic"	""	""	""	""	"310264729"	"56645576"	""	""	""	""	""	""	""	"N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(2R,3S)-3,4-dihydroxybutan-2-yl]oxypyrimidin-4-yl]azetidine-1-sulfonamide"	""	"AZD-5069"	"OC[C@@H]([C@H](Oc1nc(SCc2cccc(c2F)F)nc(c1)NS(=O)(=O)N1CCC1)C)O"	"QZECRCLSIGFCIO-RISCZKNCSA-N"	"InChI=1S/C18H22F2N4O5S2/c1-11(14(26)9-25)29-16-8-15(23-31(27,28)24-6-3-7-24)21-18(22-16)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,25-26H,3,6-7,9-10H2,1H3,(H,21,22,23)/t11-,14+/m1/s1"	"yes"	""	""
"13017"	"AZD5423"	""	"Synthetic organic"	""	""	""	""	"485206138"	"24825740"	""	""	"CHEMBL4072756"	""	""	""	""	"2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide"	""	"AZD-5423|compound 1b [PMID: 28937774]"	"C[C@@H]([C@@H](C1=CC(=CC=C1)OC)OC2=CC3=C(C=C2)N(N=C3)C4=CC=C(C=C4)F)NC(=O)C(F)(F)F"	"FCNQMDSJHADDFT-WNSKOXEYSA-N"	"InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1"	"yes"	""	""
"8473"	"AZD5438"	""	"Synthetic organic"	""	""	""	""	"252166682"	"16747683"	""	""	"CHEMBL488436"	""	""	""	""	"4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine"	""	"AZD 5438|AZD-5438"	"CC(n1c(C)ncc1c1ccnc(n1)Nc1ccc(cc1)S(=O)(=O)C)C"	"WJRRGYBTGDJBFX-UHFFFAOYSA-N"	"InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)"	""	""	""
"7710"	"AZD5582"	""	"Synthetic organic"	""	""	""	""	"223366043"	"49847690"	""	""	"CHEMBL3108827"	""	""	""	""	"(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1S,2R)-2-[6-[[(1S,2R)-1-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]oxy]hexa-2,4-diynoxy]-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide"	""	"AZD 5582|AZD-5582"	"CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H](OCC#CC#CCO[C@@H]2Cc3c([C@@H]2NC(=O)[C@@H]2CCCN2C(=O)[C@H](C2CCCCC2)NC(=O)[C@@H](NC)C)cccc3)Cc2c1cccc2)C1CCCCC1)C"	"WLMCRYCCYXHPQF-ZVMUOSSASA-N"	"InChI=1S/C58H78N8O8/c1-37(59-3)53(67)61-49(39-21-9-7-10-22-39)57(71)65-31-19-29-45(65)55(69)63-51-43-27-15-13-25-41(43)35-47(51)73-33-17-5-6-18-34-74-48-36-42-26-14-16-28-44(42)52(48)64-56(70)46-30-20-32-66(46)58(72)50(40-23-11-8-12-24-40)62-54(68)38(2)60-4/h13-16,25-28,37-40,45-52,59-60H,7-12,19-24,29-36H2,1-4H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t37-,38-,45-,46-,47+,48+,49-,50-,51-,52-/m0/s1"	""	""	""
"7686"	"AZD5672"	""	"Synthetic organic"	""	""	""	""	"223366021"	"11614352"	""	""	"CHEMBL1951914"	""	""	""	""	"N-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide"	""	"AZD 5672|AZD-5672"	"CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)C"	"QOSMEMHKXNNIGG-SSEXGKCCSA-N"	"InChI=1S/C31H43F2N3O5S2/c1-4-36(31(37)19-23-5-7-29(8-6-23)42(2,38)39)28-11-14-34(15-12-28)16-13-30(25-20-26(32)22-27(33)21-25)24-9-17-35(18-10-24)43(3,40)41/h5-8,20-22,24,28,30H,4,9-19H2,1-3H3/t30-/m1/s1"	"yes"	""	""
"10352"	"AZD5718"	""	"Synthetic organic"	""	""	""	""	"384403633"	"122678117"	""	""	""	""	""	""	""	"(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide"	""	"compound 12 [PMID: 30869888]"	"O=C([C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)c1n[nH]c(c1)C)Nc1cnn2c1C(=O)NCC2"	"ROTWSDMXHVGAHZ-QZTJIDSGSA-N"	"InChI=1S/C24H26N6O3/c1-14-12-19(29-28-14)15-6-8-16(9-7-15)22(31)17-4-2-3-5-18(17)23(32)27-20-13-26-30-11-10-25-24(33)21(20)30/h6-9,12-13,17-18H,2-5,10-11H2,1H3,(H,25,33)(H,27,32)(H,28,29)/t17-,18-/m1/s1"	"yes"	""	""
"7728"	"AZD5904"	""	"Synthetic organic"	""	""	""	""	"223366061"	"10264211"	""	""	""	""	""	""	""	"3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-7H-purin-6-one"	""	"AZD 5904|AZD-5904"	"O=c1[nH]c(=S)n(c2c1[nH]cn2)C[C@H]1CCCO1"	"RSPDBEVKURKEII-ZCFIWIBFSA-N"	"InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1"	""	""	""
"11783"	"AZD5991"	""	"Synthetic organic"	""	""	""	""	"458923818"	"131634760"	""	""	"CHEMBL4297482"	""	""	""	""	""	""	"AZD-5991"	"Cc1c2c(nn1C)CSCc1nn(c(c1)CSc1cc3ccccc3c(c1)OCCCc1c(n(c3c1ccc(c23)Cl)C)C(=O)O)C"	"KBQCEQAXHPIRTF-UHFFFAOYSA-N"	"InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43)"	""	""	""
"7822"	"AZD6088"	""	"Synthetic organic"	""	""	""	""	"223366153"	"25195463"	""	""	""	""	""	""	""	"propan-2-yl 4-[4-[(3aS,7aS)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-yl]piperidin-1-yl]-4-methylpiperidine-1-carboxylate"	""	"AZ 12677524|AZ-12677524|AZ12677524|AZD 6088|AZD-6088"	"CCOC(=O)N1CCC(CC1)(C)N1CCC(CC1)N1C(=O)N[C@@H]2[C@@H]1CCCC2"	"IVJDEIANCSDDAO-ROUUACIJSA-N"	"InChI=1S/C21H36N4O3/c1-3-28-20(27)23-14-10-21(2,11-15-23)24-12-8-16(9-13-24)25-18-7-5-4-6-17(18)22-19(25)26/h16-18H,3-15H2,1-2H3,(H,22,26)/t17-,18-/m0/s1"	""	""	""
"8059"	"AZD6482"	""	"Synthetic organic"	""	""	""	""	"249565739"	"44137675"	""	""	"CHEMBL2165191"	""	""	""	""	"2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid"	""	"AZD 6482|AZD-6482"	"Cc1cc([C@H](Nc2ccccc2C(=O)O)C)c2n(c1)c(=O)cc(n2)N1CCOCC1"	"IRTDIKMSKMREGO-OAHLLOKOSA-N"	"InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1"	""	""	""
"7711"	"AZD6495"	""	"Synthetic organic"	""	""	""	""	"223366044"	"16755780"	""	""	"CHEMBL481806"	""	""	""	""	"4-[(2,4-difluorophenyl)amino]-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide"	""	"AZD 6495|AZD-6495"	"CCOc1cc2ncc(c(c2cc1N1CCN(CC1)C)Nc1ccc(cc1F)F)C(=O)N"	"IBHNEKVLDKCEQY-UHFFFAOYSA-N"	"InChI=1S/C23H25F2N5O2/c1-3-32-21-12-19-15(11-20(21)30-8-6-29(2)7-9-30)22(16(13-27-19)23(26)31)28-18-5-4-14(24)10-17(18)25/h4-5,10-13H,3,6-9H2,1-2H3,(H2,26,31)(H,27,28)"	""	""	""
"6440"	"AZD6538"	""	"Synthetic organic"	""	""	""	""	"178103056"	"9879103"	""	""	"CHEMBL2164552"	""	""	""	""	"6-[5-(3-cyano-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile"	""	"AZD 6538|AZD-6538"	"N#Cc1ccc(nc1)c1noc(n1)c1cc(F)cc(c1)C#N"	"PBVKGEMPZBKZOA-UHFFFAOYSA-N"	"InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H"	""	""	""
"7823"	"AZD6605"	""	"Synthetic organic"	""	""	""	""	"223366154"	"11641563"	""	""	"CHEMBL2409707"	""	""	""	""	"(5S)-5-methyl-5-[[4-[4-(1,1,2,2-tetrafluoroethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione"	""	"AZ 11920155|AZ-11920155|AZ11920155|AZD 6605|AZD-6605"	"FC(C(Oc1ccc(cc1)OC1CCN(CC1)S(=O)(=O)C[C@@]1(C)NC(=O)NC1=O)(F)F)F"	"SBVAXUGOISPYPX-QGZVFWFLSA-N"	"InChI=1S/C18H21F4N3O6S/c1-17(15(26)23-16(27)24-17)10-32(28,29)25-8-6-12(7-9-25)30-11-2-4-13(5-3-11)31-18(21,22)14(19)20/h2-5,12,14H,6-10H2,1H3,(H2,23,24,26,27)/t17-/m1/s1"	"yes"	""	""
"7687"	"AZD6703"	""	"Synthetic organic"	""	""	""	""	"223366022"	"11373432"	""	""	"CHEMBL2031465"	""	""	""	""	"N-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide"	""	"AZ 12012199|AZ-12012199|AZ12012199|AZD 6703|AZD-6703"	"CN1CCN(CC1)c1ccc2c(c1)c(=O)n(cn2)c1cc(ccc1C)C(=O)NC1CC1"	"ZMAZXHICVRYLQN-UHFFFAOYSA-N"	"InChI=1S/C24H27N5O2/c1-16-3-4-17(23(30)26-18-5-6-18)13-22(16)29-15-25-21-8-7-19(14-20(21)24(29)31)28-11-9-27(2)10-12-28/h3-4,7-8,13-15,18H,5-6,9-12H2,1-2H3,(H,26,30)"	"yes"	""	""
"7824"	"AZD7268"	""	"Synthetic organic"	""	""	""	""	"223366155"	"24772484"	""	""	"CHEMBL1946618"	""	""	""	""	"N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide"	""	"AZ 12488024|AZ-12488024|AZ12488024|AZD 7268|AZD-7268"	"OCCN(C(=O)c1ccc(cc1)C(=C1CCN(CC1)Cc1cscn1)c1cccc2c1nccc2)C"	"ZJKUETLEJYCOBO-UHFFFAOYSA-N"	"InChI=1S/C29H30N4O2S/c1-32(16-17-34)29(35)24-9-7-21(8-10-24)27(26-6-2-4-23-5-3-13-30-28(23)26)22-11-14-33(15-12-22)18-25-19-36-20-31-25/h2-10,13,19-20,34H,11-12,14-18H2,1H3"	""	""	""
"7712"	"AZD7325"	""	"Synthetic organic"	""	""	""	""	"223366045"	"23581869"	""	""	"CHEMBL1783282"	""	""	""	""	"4-amino-8-(2-fluoro-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide"	""	"AZD 7325|AZD-7325"	"CCCNC(=O)c1nnc2c(c1N)cccc2c1c(F)cccc1OC"	"KYDURMHFWXCKMW-UHFFFAOYSA-N"	"InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)"	""	""	""
"9362"	"AZD7545"	""	"Synthetic organic"	""	""	""	""	"328083464"	"16741245"	""	""	""	""	""	""	""	"4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfonyl-N,N-dimethylbenzamide"	""	"AZD-7545"	"CN(C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(c(c1)Cl)NC(=O)[C@](C(F)(F)F)(O)C)C"	"DTDZLJHKVNTQGZ-GOSISDBHSA-N"	"InChI=1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1"	""	""	""
"11714"	"AZD7624"	""	"Synthetic organic"	""	""	""	""	"458923749"	"25143624"	""	""	""	""	""	""	""	"N-cyclopropyl-3-fluoro-4-methyl-5-[3-[[1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropyl]amino]-2-oxopyrazin-1-yl]benzamide"	""	"AZD-7624|Example 259 [WO2009001132]"	"Cc1c(cc(cc1F)C(=O)NC1CC1)n1ccnc(c1=O)NC1(CC1)c1ccccc1OCCNC"	"NNKPHNTWNILINE-UHFFFAOYSA-N"	"InChI=1S/C27H30FN5O3/c1-17-21(28)15-18(25(34)31-19-7-8-19)16-22(17)33-13-11-30-24(26(33)35)32-27(9-10-27)20-5-3-4-6-23(20)36-14-12-29-2/h3-6,11,13,15-16,19,29H,7-10,12,14H2,1-2H3,(H,30,32)(H,31,34)"	"yes"	""	""
"10601"	"AZD7648"	""	"Synthetic organic"	""	""	""	""	"404859048"	"135151360"	""	""	""	""	""	""	""	"7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one"	""	"AZD-7648|compound 16 [PMID: 31851518]"	"Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"	"XISVSTPEXYIKJL-UHFFFAOYSA-N"	"InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23)"	""	""	""
"7827"	"AZD7687"	""	"Synthetic organic"	""	""	""	""	"223366158"	"42636350"	""	""	"CHEMBL2178953"	""	""	""	""	""	""	"AZD 7687|AZD-7687"	"OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1nc(C(=O)N)c(nc1C)C"	"YXFNPRHZMOGREC-SHTZXODSSA-N"	"InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)/t14-,15-"	""	""	""
"7713"	"AZD7762"	""	"Synthetic organic"	""	""	""	""	"223366046"	"11152667"	""	""	"CHEMBL2041933"	""	""	""	""	"3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide"	""	"AZD 7762|AZD-7762"	"NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)c1cccc(c1)F"	"IAYGCINLNONXHY-LBPRGKRZSA-N"	"InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1"	""	""	""
"7714"	"AZD8055"	""	"Synthetic organic"	""	""	""	""	"223366047"	"25262965"	""	""	"CHEMBL1801204"	""	""	""	""	"[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol"	""	"AZD 8055|AZD-8055"	"OCc1cc(ccc1OC)c1ccc2c(n1)nc(nc2N1CCOC[C@@H]1C)N1CCOC[C@@H]1C"	"KVLFRAWTRWDEDF-IRXDYDNUSA-N"	"InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1"	""	""	""
"11204"	"AZD8154"	""	"Synthetic organic"	""	""	""	""	"434122264"	"141754136"	""	""	""	""	""	""	""	"2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxopyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one"	""	"AZD-8154|Example 1 [WO2018055040A1]"	"C[C@H](N1Cc2c(C1=O)c(cc(c2)c1sc(nc1C)Nc1cccc(n1)N1CCCC1=O)S(=O)(=O)C)C1CC1"	"XOMFDZJQLSPGGV-INIZCTEOSA-N"	"InChI=1S/C27H29N5O4S2/c1-15-25(37-27(28-15)30-21-6-4-7-22(29-21)31-11-5-8-23(31)33)18-12-19-14-32(16(2)17-9-10-17)26(34)24(19)20(13-18)38(3,35)36/h4,6-7,12-13,16-17H,5,8-11,14H2,1-3H3,(H,28,29,30)/t16-/m0/s1"	"yes"	""	""
"7726"	"AZD8165"	""	"Synthetic organic"	""	""	""	""	"223366059"	"44548240"	""	""	""	""	""	""	""	"(1R)-2-[(5S)-5-({[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]methyl}carbamoyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-(4-fluorophenyl)-2-oxoethyl propanoate"	""	"AZD 8165|AZD-8165"	"CCC(=O)O[C@@H](C(=O)N1N=CC[C@H]1C(=O)NCc1cc(Cl)ccc1n1cnnn1)c1ccc(cc1)F"	"YUHNXUAATAMVKD-PZJWPPBQSA-N"	"InChI=1S/C23H21ClFN7O4/c1-2-20(33)36-21(14-3-6-17(25)7-4-14)23(35)32-19(9-10-28-32)22(34)26-12-15-11-16(24)5-8-18(15)31-13-27-29-30-31/h3-8,10-11,13,19,21H,2,9,12H2,1H3,(H,26,34)/t19-,21+/m0/s1"	""	""	""
"8527"	"AZD8186"	""	"Synthetic organic"	""	""	""	""	"252166729"	"52913813"	""	""	""	""	""	""	""	"8-[(1R)-1-[(3,5-difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(morpholin-4-yl)-4-oxo-4H-chromene-6-carboxamide"	""	"AZD 8186|AZD-8186"	"Fc1cc(cc(c1)F)N[C@@H](c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C)C"	"LMJFJIDLEAWOQJ-CQSZACIVSA-N"	"InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1"	""	""	""
"7715"	"AZD8329"	""	"Synthetic organic"	""	""	""	""	"223366048"	"25006684"	""	""	"CHEMBL2177609"	""	""	""	""	"4-[4-(2-adamantylcarbamoyl)-5-tert-butylpyrazol-1-yl]benzoic acid"	""	"AZD 8329|AZD-8329"	"O=C(c1cnn(c1C(C)(C)C)c1ccc(cc1)C(=O)O)NC1C2CC3CC1CC(C2)C3"	"XWBXJBSVYVJAMZ-UHFFFAOYSA-N"	"InChI=1S/C25H31N3O3/c1-25(2,3)22-20(13-26-28(22)19-6-4-16(5-7-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h4-7,13-15,17-18,21H,8-12H2,1-3H3,(H,27,29)(H,30,31)"	""	""	""
"8474"	"AZD8330"	""	"Synthetic organic"	""	""	""	""	"252166683"	"16666708"	""	""	"CHEMBL3182621"	""	""	""	""	"2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide"	""	"ARRY-424704|ARRY-704|AZD-8330"	"OCCONC(=O)c1cc(C)c(=O)n(c1Nc1ccc(cc1F)I)C"	"RWEVIPRMPFNTLO-UHFFFAOYSA-N"	"InChI=1S/C16H17FIN3O4/c1-9-7-11(15(23)20-25-6-5-22)14(21(2)16(9)24)19-13-4-3-10(18)8-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,23)"	""	""	""
"7678"	"AZD8529"	""	"Synthetic organic"	""	""	""	""	"223366013"	"25125217"	""	""	""	""	""	""	""	"7-methyl-5-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one"	""	"AZD 8529|AZD-8529"	"Cc1cc(cc2c1C(=O)N(C2)Cc1ccc(cc1)OC(F)(F)F)c1onc(n1)CN1CCNCC1"	"IPCYZQQFECEHLI-UHFFFAOYSA-N"	"InChI=1S/C24H24F3N5O3/c1-15-10-17(22-29-20(30-35-22)14-31-8-6-28-7-9-31)11-18-13-32(23(33)21(15)18)12-16-2-4-19(5-3-16)34-24(25,26)27/h2-5,10-11,28H,6-9,12-14H2,1H3"	""	""	""
"7716"	"AZD8542"	""	"Synthetic organic"	""	""	""	""	"223366049"	"53344810"	""	""	""	""	""	""	""	"N-[2,4-dimethyl-5-(1-methylimidazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide"	""	"AZD 8542|AZD-8542"	"Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C"	"SMQVBAGSZVHCJP-UHFFFAOYSA-N"	"InChI=1S/C25H24N4O2/c1-17-12-18(2)23(13-22(17)24-14-29(3)16-27-24)28-25(30)19-7-9-21(10-8-19)31-15-20-6-4-5-11-26-20/h4-14,16H,15H2,1-3H3,(H,28,30)"	""	""	""
"8915"	"AZD8835"	""	"Synthetic organic"	""	""	""	""	"310264696"	"76685059"	""	""	""	""	""	""	""	"1-(4-{5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1H-1,2,4-triazol-3-yl}piperidin-1-yl)-3-hydroxypropan-1-one"	""	"AZD 8835|AZD-8835|compound 25 [PMID: 26475521]"	"OCCC(=O)N1CCC(CC1)c1nn(c(n1)c1cnc(c(n1)c1nnc(o1)C(C)(C)C)N)CC"	"ZGRDYKFVDCFJCZ-UHFFFAOYSA-N"	"InChI=1S/C22H31N9O3/c1-5-31-19(26-18(29-31)13-6-9-30(10-7-13)15(33)8-11-32)14-12-24-17(23)16(25-14)20-27-28-21(34-20)22(2,3)4/h12-13,32H,5-11H2,1-4H3,(H2,23,24)"	""	""	""
"9256"	"AZD8848"	""	"Synthetic organic"	""	""	""	""	"315661331"	"11592228"	""	""	""	""	""	""	""	"methyl 2-(3-(((3-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl)(3-morpholinopropyl)amino)methyl)phenyl)acetate"	""	"DSP-3025"	"CCCCOc1nc(N)c2c(n1)n(CCCN(Cc1cccc(c1)CC(=O)OC)CCCN1CCOCC1)c(=O)[nH]2"	"FEFIBEHSXLKJGI-UHFFFAOYSA-N"	"InChI=1S/C29H43N7O5/c1-3-4-16-41-28-32-26(30)25-27(33-28)36(29(38)31-25)13-7-12-35(11-6-10-34-14-17-40-18-15-34)21-23-9-5-8-22(19-23)20-24(37)39-2/h5,8-9,19H,3-4,6-7,10-18,20-21H2,1-2H3,(H,31,38)(H2,30,32,33)"	"yes"	""	""
"7826"	"AZD9056"	""	"Synthetic organic"	""	""	""	""	"223366157"	"10161381"	""	""	""	""	""	""	""	"N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide"	""	"AZD 9056|AZD-9056"	"OCCCNCCCc1ccc(c(c1)C(=O)NCC12CC3CC(C2)CC(C1)C3)Cl"	"HSQAARMBHJCUOK-UHFFFAOYSA-N"	"InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)"	"yes"	""	""
"6439"	"AZD9272"	""	"Synthetic organic"	""	""	""	""	"178103055"	"9838729"	""	""	"CHEMBL2164551"	""	""	""	""	"3-fluoro-5-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile"	""	"AZD 9272|AZD-9272"	"N#Cc1cc(F)cc(c1)c1onc(n1)c1ccc(cn1)F"	"RBSPCALDSNXWEP-UHFFFAOYSA-N"	"InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H"	""	""	""
"9812"	"AZD9567"	""	"Synthetic organic"	""	""	""	""	"354702284"	"121248172"	""	""	""	""	""	""	""	"2,2-difluoro-N-[(1R,2S)-3-methyl-1-[1-(1-methyl-6-oxopyridin-3-yl)indazol-5-yl]oxy-1-phenylbutan-2-yl]propanamide"	""	"AZD 9567|AZD-9567|compound 15 [PMID: 29424542]|example 1 [WO2016046260A1]"	"CC([C@@H]([C@@H](c1ccccc1)Oc1ccc2c(c1)cnn2c1ccc(=O)n(c1)C)NC(=O)C(F)(F)C)C"	"ZQFNDBISEYQVRR-LOSJGSFVSA-N"	"InChI=1S/C27H28F2N4O3/c1-17(2)24(31-26(35)27(3,28)29)25(18-8-6-5-7-9-18)36-21-11-12-22-19(14-21)15-30-33(22)20-10-13-23(34)32(4)16-20/h5-17,24-25H,1-4H3,(H,31,35)/t24-,25+/m0/s1"	"yes"	""	""
"10479"	"AZD9898"	""	"Synthetic organic"	""	""	""	""	"385612238"	"122670110"	""	""	"CHEMBL3961833"	""	""	""	""	"(1S,2S)-2-[5-(5-chloro-2,4-difluoro-N-(2-fluoro-2-methylpropyl)anilino)-3-methoxypyrazine-2-carbonyl]cyclopropane-1-carboxylic acid"	""	"AZD-9898|example 62 [WO2016177845A1]"	"COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(=O)O)N(c1cc(Cl)c(cc1F)F)CC(F)(C)C"	"RVMWIVNHZMXEHS-UWVGGRQHSA-N"	"InChI=1S/C20H19ClF3N3O4/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30/h5-7,9-10H,4,8H2,1-3H3,(H,29,30)/t9-,10-/m0/s1"	"yes"	""	""
"7484"	"azelaic acid"	""	"Synthetic organic"	"yes"	""	""	""	"187051787"	"2266"	""	""	"CHEMBL1238"	""	""	""	""	"Nonanedioic acid"	"azelaic acid"	"Azelex&reg;|Finacea&reg;|ZK-62498"	"OC(=O)CCCCCCCC(=O)O"	"BDJRBEYXGGNYIS-UHFFFAOYSA-N"	"InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)"	"yes"	""	""
"5428"	"azelaoyl-PAF"	""	"Synthetic organic"	""	""	""	""	"178102081"	"17757205"	""	""	"CHEMBL1488739"	""	""	""	""	"(2-{[(2R)-2-[(8-carboxyoctanoyl)oxy]-3-(hexadecyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium"	""	"azelaoyl PAF"	"CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)CCCCCCCC(=O)O)COP(=O)(OCC[N+](C)(C)C)[O-]"	"ZDFOCDTXDPKJKA-WJOKGBTCSA-N"	"InChI=1S/C33H66NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-40-29-31(30-42-44(38,39)41-28-26-34(2,3)4)43-33(37)25-22-19-17-18-21-24-32(35)36/h31H,5-30H2,1-4H3,(H-,35,36,38,39)/t31-/m1/s1"	""	""	""
"10061"	"azelaprag"	""	"Synthetic organic"	""	""	""	""	"375973249"	"122702529"	""	""	""	""	""	""	""	"(2S,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-1,2,4-triazol-3-yl]-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide"	"azelaprag"	"AMG 986|AMG-986|AMG986|example 263 [WO2016187308A1]"	"COc1cccc(c1n1c(nnc1c1cncc(c1)C)NS(=O)(=O)[C@H]([C@@H](c1ncc(cn1)C)C)C)OC"	"DOMQFIFVDIAOOT-ROUUACIJSA-N"	"InChI=1S/C25H29N7O4S/c1-15-10-19(14-26-11-15)24-29-30-25(32(24)22-20(35-5)8-7-9-21(22)36-6)31-37(33,34)18(4)17(3)23-27-12-16(2)13-28-23/h7-14,17-18H,1-6H3,(H,30,31)/t17-,18-/m0/s1"	""	""	""
"7121"	"azelastine"	""	"Synthetic organic"	"yes"	""	""	""	"178103698"	"2267"	""	""	"CHEMBL639"	""	""	""	""	"4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one"	"azelastine"	"A-5610|Astelin&reg;|E-0659|Rhinolast&reg;|W-2979M"	"CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2"	"MBUVEWMHONZEQD-UHFFFAOYSA-N"	"InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3"	""	""	""
"8317"	"azeliragon"	""	"Synthetic organic"	""	""	""	""	"252166529"	"11180124"	""	""	""	""	""	""	""	"3-[4-[2-butyl-1-[4-(4-chlorophenoxy)phenyl]imidazol-4-yl]phenoxy]-N,N-diethylpropan-1-amine"	"azeliragon"	"TTP488"	"CCCCc1nc(cn1c1ccc(cc1)Oc1ccc(cc1)Cl)c1ccc(cc1)OCCCN(CC)CC"	"KJNNWYBAOPXVJY-UHFFFAOYSA-N"	"InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3"	""	""	""
"11731"	"azenosertib"	""	"Synthetic organic"	""	""	""	""	"458923766"	"139467635"	""	""	""	""	""	""	""	"1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one"	""	"compound 16 [PMID: 34423975]|ZN-c3|ZNc3"	"O=c1n(CC=C)n(c2ccc3CC[C@@](CC)(O)c3n2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc12"	"OXTSYWDBUVRXFF-GDLZYMKVSA-N"	"InChI=1S/C29H34N8O2/c1-4-14-36-27(38)23-19-30-28(31-21-7-9-22(10-8-21)35-17-15-34(3)16-18-35)33-26(23)37(36)24-11-6-20-12-13-29(39,5-2)25(20)32-24/h4,6-11,19,39H,1,5,12-18H2,2-3H3,(H,30,31,33)/t29-/m1/s1"	""	""	""
"12650"	"azetukalner"	""	"Synthetic organic"	""	""	""	""	"483123198"	"24743936"	""	""	"CHEMBL5095264"	""	""	""	""	"N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide"	"azetukalner"	"1OP2198|encukalner (deleted INN)|Example 11 [WO2008024398A2]|VRX621698|XEN-1101|XEN1101"	"CC1=CC(=CC(=C1NC(=O)CC(C)(C)C)C)N2CCC3=C(C2)C=CC(=C3)F"	"FJNPZKZPWVVSON-UHFFFAOYSA-N"	"InChI=1S/C23H29FN2O/c1-15-10-20(11-16(2)22(15)25-21(27)13-23(3,4)5)26-9-8-17-12-19(24)7-6-18(17)14-26/h6-7,10-12H,8-9,13-14H2,1-5H3,(H,25,27)"	""	""	""
"12397"	"azidamfenicol"	""	"Synthetic organic"	"yes"	""	""	""	"479821188"	"62858"	""	""	"CHEMBL3989525"	""	""	""	""	"2-azido-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide"	"azidamfenicol"	"azidamphenicol|azidoamfenicol|azidoamphenicol|Thilocof&reg;"	"c1cc(ccc1[C@H]([C@@H](CO)NC(=O)CN=[N+]=[N-])O)[N+](=O)[O-]"	"SGRUZFCHLOFYHZ-MWLCHTKSSA-N"	"InChI=1S/C11H13N5O5/c12-15-13-5-10(18)14-9(6-17)11(19)7-1-3-8(4-2-7)16(20)21/h1-4,9,11,17,19H,5-6H2,(H,14,18)/t9-,11-/m1/s1"	""	""	"yes"
"12291"	"azidocillin"	""	"Synthetic organic"	""	""	""	""	"479821082"	"15574941"	""	""	"CHEMBL2105907"	""	""	""	""	"(2S,5R,6R)-6-[[(2R)-2-azido-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"azidocillin"	"BRL 2534|SPC 297 D"	"CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)N=[N+]=[N-])C(=O)O)C"	"ODFHGIPNGIAMDK-NJBDSQKTSA-N"	"InChI=1S/C16H17N5O4S/c1-16(2)11(15(24)25)21-13(23)10(14(21)26-16)18-12(22)9(19-20-17)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,22)(H,24,25)/t9-,10-,11+,14-/m1/s1"	""	""	"yes"
"6980"	"azidopine"	""	"Synthetic organic"	""	""	""	""	"178103559"	"656406"	""	""	"CHEMBL1993397"	""	""	""	""	"O3-[2-[(4-azidobenzoyl)amino]ethyl] O5-ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate"	""	""	"CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1C(F)(F)F)C(=O)OCCNC(=O)c1ccc(cc1)N=[N+]=[N-])C"	"SWMHKFTXBOJETC-UHFFFAOYSA-N"	"InChI=1S/C27H26F3N5O5/c1-4-39-25(37)21-15(2)33-16(3)22(23(21)19-7-5-6-8-20(19)27(28,29)30)26(38)40-14-13-32-24(36)17-9-11-18(12-10-17)34-35-31/h5-12,23,33H,4,13-14H2,1-3H3,(H,32,36)"	""	""	""
"6901"	"azilsartan"	""	"Synthetic organic"	""	""	""	""	"178103483"	"135415867"	""	""	"CHEMBL57242"	""	""	""	""	"2-ethoxy-3-[[4-[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid"	"azilsartan"	"TAK 536|TAK-536|TAK536"	"CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)O"	"KGSXMPPBFPAXLY-UHFFFAOYSA-N"	"InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)"	""	""	""
"6900"	"azilsartan medoxomil"	""	"Synthetic organic"	"yes"	""	""	""	"178103482"	"135409642"	""	""	"CHEMBL2028661"	""	""	""	""	"(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-ethoxy-3-[[4-[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate"	"azilsartan medoxomil"	"Edarbi&reg;|TAK 491"	"CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)OCc1oc(=O)oc1C"	"QJFSABGVXDWMIW-UHFFFAOYSA-N"	"InChI=1S/C30H24N4O8/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26/h4-14H,3,15-16H2,1-2H3,(H,32,33,36)"	""	""	""
"2588"	"azimilide"	""	"Synthetic organic"	""	""	""	""	"53801039"	"9571004"	""	""	"CHEMBL123558"	""	""	""	""	"1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione"	"azimilide"	""	"CN1CCN(CC1)CCCCN1C(=O)CN(C1=O)/N=C/c1ccc(o1)c1ccc(cc1)Cl"	"MREBEPTUUMTTIA-PCLIKHOPSA-N"	"InChI=1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18/h4-9,16H,2-3,10-15,17H2,1H3/b25-16+"	""	""	""
"6510"	"azithromycin"	""	"Synthetic organic"	"yes"	""	""	""	"178103124"	"447043"	""	""	"CHEMBL529"	""	""	""	""	"(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one"	"azithromycin"	""	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O"	"MQTOSJVFKKJCRP-BICOPXKESA-N"	"InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1"	"yes"	"yes"	"yes"
"12260"	"azlocillin"	""	"Synthetic organic"	"yes"	""	""	""	"473153848"	"6479523"	""	""	"CHEMBL1537"	""	""	""	""	"(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"azlocillin"	"Azlin&reg;|BAY-E-6905"	"CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)NC(=O)N1CCNC1=O)C(=O)O)C"	"JTWOMNBEOCYFNV-NFFDBFGFSA-N"	"InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12-,13+,16-/m1/s1"	""	""	"yes"
"13638"	"AZ-PRMT5i-1"	""	"Synthetic organic"	""	""	""	""	"504705457"	"167507171"	""	""	""	""	""	""	""	"(3S)-2-[(5-amino-6-fluoro-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoro-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione"	""	"AZPRMT5i-1|compound 28 [PMID: 39080842]"	"NC1=NC2=C(NC(CN3C(=O)C4=CC(F)=CC=C4[C@]35CCN(CC6=CC=C(F)C=C6)C5=O)=C2)C=C1F"	"BJIUKEMXFQJDBZ-SANMLTNESA-N"	"InChI=1S/C26H20F3N5O2/c27-15-3-1-14(2-4-15)12-33-8-7-26(25(33)36)19-6-5-16(28)9-18(19)24(35)34(26)13-17-10-21-22(31-17)11-20(29)23(30)32-21/h1-6,9-11,31H,7-8,12-13H2,(H2,30,32)/t26-/m0/s1"	""	""	""
"10763"	"aztreonam"	""	"Synthetic organic"	"yes"	""	""	""	"405560204"	"5742832"	""	""	"CHEMBL158"	""	""	""	""	"2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid"	"aztreonam"	"Azactam&reg;|Cayston&reg;|Emblaveo&reg; (aztreonam and avibactam)|SQ 26776|SQ-26776|SQ26776"	"C[C@H]1[C@H](NC(=O)/C(=N\OC(C(=O)O)(C)C)/c2csc(n2)N)C(=O)N1S(=O)(=O)O"	"WZPBZJONDBGPKJ-VEHQQRBSSA-N"	"InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1"	""	""	"yes"
"13479"	"azvudine"	""	"Synthetic organic"	""	""	""	""	"500839889"	"24769759"	""	""	"CHEMBL519846"	""	""	""	""	"4-amino-1-[(2R,3S,4R,5R)-5-azido-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one"	""	"RO-0622"	"C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@](O2)(CO)N=[N+]=[N-])O)F"	"KTOLOIKYVCHRJW-XZMZPDFPSA-N"	"InChI=1S/C9H11FN6O4/c10-5-6(18)9(3-17,14-15-12)20-7(5)16-2-1-4(11)13-8(16)19/h1-2,5-7,17-18H,3H2,(H2,11,13,19)/t5-,6-,7+,9+/m0/s1"	""	""	""
"652"	"B-10356"	""	"Peptide"	""	""	""	""	"135652005"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11459"	"B1-27"	""	"Peptide"	""	""	""	""	"440816828"	"0"	""	""	""	""	""	""	""	""	""	"analog 2 [PMID: 32133341]"	""	""	""	""	""	""
"7859"	"B3C"	""	"Synthetic organic"	""	""	""	""	"223366189"	"24892831"	""	""	""	""	""	""	""	"benzyl N-[(2R)-1-[(2S,4R)-2-[[(2S)-6-amino-1-(1,3-benzoxazol-2-yl)-1,1-dihydroxyhexan-2-yl]carbamoyl]-4-[(4-methylphenyl)methoxy]pyrrolidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamate"	""	"compound 23 [PMID: 18752942]"	"NCCCC[C@@H](C(c1nc2c(o1)cccc2)(O)O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)OCc1ccccc1)CCc1ccccc1)OCc1ccc(cc1)C"	"KGNDCEVUMONOKF-UGPLYTSKSA-N"	"InChI=1S/C44H51N5O8/c1-30-19-21-33(22-20-30)28-55-34-26-37(40(50)48-39(18-10-11-25-45)44(53,54)42-46-35-16-8-9-17-38(35)57-42)49(27-34)41(51)36(24-23-31-12-4-2-5-13-31)47-43(52)56-29-32-14-6-3-7-15-32/h2-9,12-17,19-22,34,36-37,39,53-54H,10-11,18,23-29,45H2,1H3,(H,47,52)(H,48,50)/t34-,36-,37+,39+/m1/s1"	""	""	""
"9321"	"(B7-33)H2"	""	"Peptide"	""	""	""	""	"318164840"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"653"	"B-9430"	""	"Peptide"	""	""	""	""	"135652006"	"0"	""	""	""	""	""	""	""	""	""	"B 9430|B9430|D-Arg-[Hyp3,Igl5,D-Igl7,Oic8]-bradykinin"	""	""	""	""	""	""
"654"	"B-9858"	""	"Peptide"	""	""	""	""	"135652007"	"0"	""	""	""	""	""	""	""	""	""	"B 9858|Lys-Lys-[Hyp<sup>3</sup>, Igl<sup>5</sup>, D-Igl<sup>7</sup>, Oic<sup>8</sup>]des-Arg<sup>9</sup>-BK"	""	""	""	""	""	""
"655"	"B-9958"	""	"Peptide"	""	""	""	""	"135652008"	"0"	""	""	""	""	""	""	""	""	""	"B9958|des-Arg(9)-BK"	""	""	""	""	""	""
"12292"	"bacampicillin"	""	"Synthetic organic"	"yes"	""	""	""	"479821083"	"441397"	""	""	"CHEMBL1583"	""	""	""	""	"1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate"	"bacampicillin"	"Penglobe&reg;|Spectrobid&reg;"	"CCOC(=O)OC(C)OC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)[C@@H](c1ccccc1)N)(C)C"	"PFOLLRNADZZWEX-FFGRCDKISA-N"	"InChI=1S/C21H27N3O7S/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25)/t11?,13-,14-,15+,18-/m1/s1"	""	""	"yes"
"12812"	"bacitracin A"	""	"Natural product"	"yes"	""	""	""	"483123360"	"10909430"	""	""	"CHEMBL1200558"	""	""	""	""	"(4R)-4-[[(2S)-2-[[(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[(2S,3S)-1-[[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid"	"bacitracin"	""	"CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(=N2)[C@H]([C@@H](C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4"	"CLKOFPXJLQSYAH-ABRJDSQDSA-N"	"InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1"	""	""	"yes"
"1064"	"(-)-baclofen"	""	"Synthetic organic"	""	""	""	""	"135649977"	"44602"	""	""	"CHEMBL301742"	""	""	""	""	"(3R)-4-amino-3-(4-chlorophenyl)butanoic acid"	"arbaclofen|baclofen"	"(R)-(-)-baclofen|p-chlorophenyl GABA"	"NC[C@@H](c1ccc(cc1)Cl)CC(=O)O"	"KPYSYYIEGFHWSV-QMMMGPOBSA-N"	"InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1"	""	""	""
"1084"	"baclofen"	""	"Synthetic organic"	"yes"	""	""	""	"135649976"	"2284"	""	""	"CHEMBL701"	""	""	""	""	"4-amino-3-(4-chlorophenyl)butanoic acid"	"baclofen"	"Baclon&reg;|Kemstro&reg;|Lioresal&reg;"	"NCC(c1ccc(cc1)Cl)CC(=O)O"	"KPYSYYIEGFHWSV-UHFFFAOYSA-N"	"InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)"	""	""	""
"13095"	"bacopaside I"	""	"Natural product"	""	""	""	""	"491299877"	"21599442"	""	""	""	""	""	""	""	""	""	""	"CC(=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@@H]([C@H]3[C@@]1(C)O)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)COS(=O)(=O)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O9)CO)O)O)C)C)C"	"SKFWOYHZBNAJGA-YAOMZRCFSA-N"	"InChI=1S/C46H74O20S/c1-21(2)14-22-16-59-46-19-45(20-60-46)23(37(46)44(22,7)54)8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,45)6)64-40-36(66-38-33(52)30(49)25(15-47)62-38)35(24(48)17-58-40)65-39-34(53)32(51)31(50)26(63-39)18-61-67(55,56)57/h14,22-40,47-54H,8-13,15-20H2,1-7H3,(H,55,56,57)/t22-,23-,24+,25+,26-,27+,28-,29+,30+,31-,32+,33-,34-,35+,36-,37+,38+,39+,40+,42+,43-,44+,45+,46-/m1/s1"	""	""	""
"13096"	"bacopaside II"	""	"Natural product"	""	""	""	""	"491299878"	"9876264"	""	""	""	""	""	""	""	""	""	""	"CC(=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@@H]([C@H]3[C@@]1(C)O)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O9)CO)O)O)C)C)C"	"WZWPYJOPCULCLQ-UOXCDNDQSA-N"	"InChI=1S/C47H76O18/c1-21(2)14-22-18-58-47-19-46(20-59-47)23(38(47)45(22,7)57)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,46)6)63-41-37(65-39-34(55)31(52)25(16-49)61-39)36(32(53)26(17-50)62-41)64-40-35(56)33(54)30(51)24(15-48)60-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/t22-,23-,24-,25+,26-,27+,28-,29+,30-,31+,32-,33+,34-,35-,36+,37-,38+,39+,40+,41+,43+,44-,45+,46+,47-/m1/s1"	""	""	""
"13094"	"bacoside A3"	""	"Natural product"	""	""	""	""	"491299876"	"91827005"	""	""	""	""	""	""	""	""	""	""	"CC(=C[C@H]1C[C@]([C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@]36C[C@@]2(O1)OC6)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O9)CO)O)O)C)(C)O)C"	"CDEVGTJBRPBOPH-INTDMYAHSA-N"	"InChI=1S/C47H76O18/c1-21(2)14-22-15-45(7,57)38-23-8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,6)46(23)19-47(38,65-22)58-20-46)62-41-37(64-39-34(55)31(52)25(17-49)60-39)36(32(53)26(18-50)61-41)63-40-35(56)33(54)30(51)24(16-48)59-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/t22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,32+,33-,34+,35+,36-,37+,38-,39-,40-,41-,43-,44+,45-,46-,47-/m0/s1"	""	""	""
"2708"	"BADGE"	""	"Synthetic organic"	""	""	""	""	"135649978"	"15217432"	""	""	""	""	""	""	""	"2-[4-[2-[4-(oxiran-2-yloxy)phenyl]propan-2-yl]phenoxy]oxirane"	""	""	"CC(c1ccc(cc1)OC1OC1)(c1ccc(cc1)OC1OC1)C"	"ZJXRWCYQPVZNIC-UHFFFAOYSA-N"	"InChI=1S/C19H20O4/c1-19(2,13-3-7-15(8-4-13)22-17-11-20-17)14-5-9-16(10-6-14)23-18-12-21-18/h3-10,17-18H,11-12H2,1-2H3"	""	""	""
"7906"	"bafetinib"	""	"Synthetic organic"	""	""	""	""	"249565589"	"11387605"	""	""	"CHEMBL206834"	""	""	""	""	"4-[[(3S)-3-dimethylaminopyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide"	"bafetinib"	"INNO-406|Lyn-IN-1|NS-187"	"CN([C@H]1CCN(C1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cncnc1)C)C"	"ZGBAJMQHJDFTQJ-DEOSSOPVSA-N"	"InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1"	"yes"	""	""
"5069"	"BAFF"	"Human"	"Peptide"	""	""	""	""	"178101762"	"0"	"Q9Y275"	"ENSG00000102524"	""	""	""	""	""	""	""	"B cell-activating factor|CD257 antigen|dendritic cell-derived TNF-like molecule"	""	""	""	"yes"	""	""
"6188"	"bag-1"	""	"Synthetic organic"	""	""	""	""	"178102809"	"25025860"	""	""	"CHEMBL1091720"	""	""	""	""	"2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]pyridine"	""	"AK120413"	"CCC(Cc1cnc([nH]1)CCc1ccc(cc1)c1ccccn1)(C)C"	"WVAKRQOMAINQPU-UHFFFAOYSA-N"	"InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)"	""	""	""
"6189"	"bag-2"	""	"Synthetic organic"	""	""	""	""	"178102810"	"25025654"	""	""	"CHEMBL1084942"	""	""	""	""	"2-[4-[2-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid"	""	""	"OC(=O)c1ccccc1c1ccc(cc1)CCc1ncc([nH]1)CC1CCCC1"	"OENIXTHWZWFYIV-UHFFFAOYSA-N"	"InChI=1S/C24H26N2O2/c27-24(28)22-8-4-3-7-21(22)19-12-9-17(10-13-19)11-14-23-25-16-20(26-23)15-18-5-1-2-6-18/h3-4,7-10,12-13,16,18H,1-2,5-6,11,14-15H2,(H,25,26)(H,27,28)"	""	""	""
"5144"	"baicalein"	""	"Natural product"	""	""	""	""	"178101836"	"5281605"	""	""	"CHEMBL8260"	""	""	""	""	"5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one"	""	"5,6,7-trihydroxyflavone"	"Oc1cc2oc(cc(=O)c2c(c1O)O)c1ccccc1"	"FXNFHKRTJBSTCS-UHFFFAOYSA-N"	"InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H"	""	""	""
"13076"	"baicalin"	""	"Natural product"	""	""	""	""	"491299858"	"64982"	""	""	"CHEMBL485818"	""	""	""	""	"(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid"	""	"7-D-glucuronic acid-5,6-dihydroxy-flavone|Baicalein 7-glucuronide|compound 15 [PMID: 37666112]"	"C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O"	"IKIIZLYTISPENI-ZFORQUDYSA-N"	"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1"	"yes"	""	""
"14533"	"BAL-0028"	""	"Synthetic organic"	""	""	""	""	"528429854"	"165385399"	""	""	"CHEMBL5594893"	""	""	""	""	"3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide"	""	"BAL0028|structure No. 004 [US20230365507]"	"CCOC1=C(C=CC(=C1)C(=O)N(C)CC2=CC=CC3=C2NN=C3)C4=CC(=CC=C4)F"	"VTZLXMQBXAOBJF-UHFFFAOYSA-N"	"InChI=1S/C24H22FN3O2/c1-3-30-22-13-17(10-11-21(22)16-6-5-9-20(25)12-16)24(29)28(2)15-19-8-4-7-18-14-26-27-23(18)19/h4-14H,3,15H2,1-2H3,(H,26,27)"	"yes"	""	""
"14534"	"BAL-0598"	""	"Synthetic organic"	""	""	""	""	"528429855"	"165385363"	""	""	""	""	""	""	""	"3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide"	""	"BAL0598|structure No. 054 [US2024067648]"	"C=1C=C(C=2C(OCC)=CC(C(N(C)CC3=CN=C(CO)C=4C=NNC34)=O)=CC2)C=C(F)C1"	"QLADPOCALVNSPU-UHFFFAOYSA-N"	"InChI=1S/C24H23FN4O3/c1-3-32-22-10-16(7-8-19(22)15-5-4-6-18(25)9-15)24(31)29(2)13-17-11-26-21(14-30)20-12-27-28-23(17)20/h4-12,30H,3,13-14H2,1-2H3,(H,27,28)"	"yes"	""	""
"14535"	"BAL-1516"	""	"Synthetic organic"	""	""	""	""	"528429856"	"178342683"	""	""	""	""	""	""	""	"3-ethoxy-N-methyl-N-[(1R)-1-(4-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide"	""	""	"C=12C(C)=NC=C([C@@H](C)N(C(=O)C=3C=C(OCC)C(C4=NC(C)=CS4)=CC3)C)C1NN=C2"	"MFSJYCVXQNOKQW-OAHLLOKOSA-N"	"InChI=1S/C23H25N5O2S/c1-6-30-20-9-16(7-8-17(20)22-26-13(2)12-31-22)23(29)28(5)15(4)19-10-24-14(3)18-11-25-27-21(18)19/h7-12,15H,6H2,1-5H3,(H,25,27)/t15-/m1/s1"	"yes"	""	""
"10981"	"BAL19403"	""	"Synthetic organic"	""	""	""	""	"405560422"	"11528098"	""	""	"CHEMBL405863"	""	""	""	""	"(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-15-(2-imidazo[4,5-b]pyridin-3-ylethylsulfanyl)-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxabicyclo[12.3.0]heptadecane-4,12,16-trione"	""	"BAL 19403|BAL-19403"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)[C@H]2SCCn1cnc2c1nccc2)C)C)(C)OC"	"HTEVRIKKCSOLOA-AKGQNOEZSA-N"	"InChI=1S/C48H76N4O13S/c1-15-33-48(10)35(39(44(57)65-48)66-20-19-52-24-50-31-17-16-18-49-42(31)52)27(4)36(53)25(2)22-47(9,59-14)41(64-45-37(54)32(51(11)12)21-26(3)60-45)28(5)38(29(6)43(56)62-33)63-34-23-46(8,58-13)40(55)30(7)61-34/h16-18,24-30,32-35,37-41,45,54-55H,15,19-23H2,1-14H3/t25-,26-,27-,28+,29-,30+,32+,33-,34+,35+,37-,38+,39+,40+,41-,45+,46-,47-,48-/m1/s1"	""	""	"yes"
"11004"	"BAL30072"	""	"Synthetic organic"	""	""	""	""	"405560445"	"52942440"	""	""	"CHEMBL1256967"	""	""	""	""	"[(3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridin-2-yl)methoxyimino]acetyl]amino]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate"	""	"BAL-30072"	"O=C1[C@@H](NC(=O)/C(=N\OCc2cc(=O)c(cn2O)O)/c2csc(n2)N)C(N1OS(=O)(=O)O)(C)C"	"KLFSEZJCLYBFKQ-WXYNYTDUSA-N"	"InChI=1S/C16H18N6O10S2/c1-16(2)12(14(26)22(16)32-34(28,29)30)19-13(25)11(8-6-33-15(17)18-8)20-31-5-7-3-9(23)10(24)4-21(7)27/h3-4,6,12,24,27H,5H2,1-2H3,(H2,17,18)(H,19,25)(H,28,29,30)/b20-11-/t12-/m1/s1"	""	""	"yes"
"9925"	"balamapimod"	""	"Synthetic organic"	""	""	""	""	"363894219"	"11478684"	""	""	"CHEMBL2104954"	""	""	""	""	"4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-6-methoxy-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carbonitrile"	"balamapimod"	"MKI-833|MKI833"	"COc1cc2c(cc1N1CCC(CC1)N1CCCC1)ncc(c2Nc1ccc(c(c1)Cl)Sc1nccn1C)C#N"	"CVAKNHIXTWLGJO-UHFFFAOYSA-N"	"InChI=1S/C30H32ClN7OS/c1-36-14-9-33-30(36)40-28-6-5-21(15-24(28)31)35-29-20(18-32)19-34-25-17-26(27(39-2)16-23(25)29)38-12-7-22(8-13-38)37-10-3-4-11-37/h5-6,9,14-17,19,22H,3-4,7-8,10-13H2,1-2H3,(H,34,35)"	"yes"	""	""
"8142"	"balanol"	""	"Natural product"	""	""	""	""	"249565822"	"5287736"	""	""	"CHEMBL60254"	""	""	""	""	"2-[2,6-dihydroxy-4-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid"	""	"azepinostatin"	"Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(c(c1)O)C(=O)c1c(O)cccc1C(=O)O"	"XYUFCXJZFZPEJD-XMSQKQJNSA-N"	"InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1"	""	""	""
"11281"	"balcinrenone"	""	"Synthetic organic"	""	""	""	""	"434321716"	"118599727"	""	""	"CHEMBL3916929"	""	""	""	""	"2-[(3S)-7-fluoro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-methylacetamide"	"balcinrenone"	"(S)-1 [PMID: 30596500]|AZD-9977"	"CNC(=O)C[C@H]1COc2c(N1C(=O)c1ccc3c(c1)NC(=O)CO3)ccc(c2)F"	"MBKYLPOPYYLTNW-ZDUSSCGKSA-N"	"InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1"	""	""	""
"14627"	"baleraciclideg"	""	"Synthetic organic"	""	""	""	""	"530846875"	"166529595"	""	""	""	""	""	""	""	"3-cyclopropyl-5-N-[(3S)-piperidin-3-yl]-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine"	"baleraciclideg"	"compound PPA-044 [WO2022263604]|CT-7439|CT7439"	"C1C[C@@H](CNC1)NC2=NC3=C(C=NN3C(=C2)NCC4=CC=C(C=C4)C5=CC=CC=N5)C6CC6"	"MGIDXACENIIRIH-NRFANRHFSA-N"	"InChI=1S/C26H29N7/c1-2-13-28-23(5-1)20-8-6-18(7-9-20)15-29-25-14-24(31-21-4-3-12-27-16-21)32-26-22(19-10-11-19)17-30-33(25)26/h1-2,5-9,13-14,17,19,21,27,29H,3-4,10-12,15-16H2,(H,31,32)/t21-/m0/s1"	""	""	""
"13800"	"balertatug"	""	"Antibody"	""	""	""	""	"507750433"	"0"	""	""	""	""	""	""	""	""	"balertatug"	""	""	""	""	"yes"	""	""
"7861"	"balicatib"	""	"Synthetic organic"	""	""	""	""	"223366191"	"10201696"	""	""	"CHEMBL371064"	""	""	""	""	"N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide"	"balicatib"	"AAE581"	"CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N"	"LLCRBOWRJOUJAE-UHFFFAOYSA-N"	"InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)"	""	""	""
"13583"	"balinatunfib"	""	"Synthetic organic"	""	""	""	""	"504705402"	"132042903"	""	""	""	""	""	""	""	""	"balinatunfib"	"SAR-441566|SAR441566"	"CN1[C@@H]2C[C@H](C3=C(C1=O)C=CC=C3OC(F)F)N4C2=NC5=C4C=C(C=C5)C6=CN=C(N=C6)C7(CCC7)N"	"UROFXMLQPAUCGV-WOJBJXKFSA-N"	"InChI=1S/C27H24F2N6O2/c1-34-20-11-19(22-16(24(34)36)4-2-5-21(22)37-26(28)29)35-18-10-14(6-7-17(18)33-23(20)35)15-12-31-25(32-13-15)27(30)8-3-9-27/h2,4-7,10,12-13,19-20,26H,3,8-9,11,30H2,1H3/t19-,20-/m1/s1"	"yes"	""	""
"11587"	"balixafortide"	""	"Peptide"	""	""	""	""	"442878621"	"138752609"	""	""	""	""	""	""	""	""	"balixafortide"	"POL-6326|POL6326"	"NCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](NN[C@@H](C)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)Cc1ccc(cc1)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCN)NC(=O)[C@@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)C)CCC1)Cc1[nH]cnc1"	"OYWQJZAVFWOOBF-WBMPNIIXSA-N"	"InChI=1S/C84H118N24O21S2/c1-44-70(116)102-62-41-130-131-42-63(77(123)98-57(35-46-14-20-50(110)21-15-46)69(115)68(114)53(10-5-31-91-84(88)89)94-73(119)56(28-30-86)97-79(125)64-11-6-32-106(64)81(127)45(2)93-76(122)61(40-109)101-78(62)124)103-74(120)58(36-47-16-22-51(111)23-17-47)99-72(118)55(26-27-67(87)113)95-71(117)54(9-3-4-29-85)96-80(126)65-12-7-33-107(65)83(129)66-13-8-34-108(66)82(128)60(37-48-18-24-52(112)25-19-48)100-75(121)59(105-104-44)38-49-39-90-43-92-49/h14-25,39,43-45,53-66,104-105,109-112H,3-13,26-38,40-42,85-86H2,1-2H3,(H2,87,113)(H,90,92)(H,93,122)(H,94,119)(H,95,117)(H,96,126)(H,97,125)(H,98,123)(H,99,118)(H,100,121)(H,101,124)(H,102,116)(H,103,120)(H4,88,89,91)/t44-,45-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64+,65+,66-/m0/s1"	""	""	""
"13105"	"balofloxacin"	""	"Synthetic organic"	"yes"	""	""	""	"491299887"	"65958"	""	""	"CHEMBL1210954"	""	""	""	""	"1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylaminopiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid"	"balofloxacin"	"Q-35|Q-Roxin&reg;"	"CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F"	"MGQLHRYJBWGORO-UHFFFAOYSA-N"	"InChI=1S/C20H24FN3O4/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)"	""	""	"yes"
"13734"	"balomenib"	""	"Synthetic organic"	""	""	""	""	"507750367"	"172395801"	""	""	""	""	""	""	""	"4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]-5-[[2-[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]indole-2-carbonitrile"	"balomenib"	"ZE63-0302"	"CC1=C2C=C(N(C2=CC=C1CN3CCC4(CN(C4)C5=NC=NC6=CC=C(C=C56)CC(F)(F)F)CC3)C[C@@H]7CNC(CO7)=O)C#N"	"GTFGTNVSMRVPEN-VWLOTQADSA-N"	"InChI=1S/C33H34F3N7O2/c1-21-23(3-5-29-26(21)11-24(13-37)43(29)16-25-14-38-30(44)17-45-25)15-41-8-6-32(7-9-41)18-42(19-32)31-27-10-22(12-33(34,35)36)2-4-28(27)39-20-40-31/h2-5,10-11,20,25H,6-9,12,14-19H2,1H3,(H,38,44)/t25-/m0/s1"	""	""	""
"10615"	"balovaptan"	""	"Synthetic organic"	""	""	""	""	"404859062"	"46200932"	""	""	""	""	""	""	""	"8-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine"	"balovaptan"	"compound 1 [PMID: 31951127]|RG7314|RO5285119"	"CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1"	"GMPZPHGHNDMRKL-RZDIXWSQSA-N"	"InChI=1S/C22H24ClN5O/c1-27-13-16-12-17(23)7-10-19(16)28-20(14-27)25-26-22(28)15-5-8-18(9-6-15)29-21-4-2-3-11-24-21/h2-4,7,10-12,15,18H,5-6,8-9,13-14H2,1H3/t15-,18-"	""	""	""
"11748"	"baloxavir marboxil"	""	"Synthetic organic"	"yes"	""	""	""	"458923783"	"124081896"	""	""	"CHEMBL4297503"	""	""	""	""	""	"baloxavir marboxil"	"S-033188|S033188|Xofluza&reg;"	"COC(=O)OCOc1c2C(=O)N3CCOC[C@H]3N(n2ccc1=O)[C@H]1c2c(CSc3ccccc13)c(c(cc2)F)F"	"RZVPBGBYGMDSBG-GGAORHGYSA-N"	"InChI=1S/C27H23F2N3O7S/c1-36-27(35)39-14-38-25-19(33)8-9-31-24(25)26(34)30-10-11-37-12-21(30)32(31)23-15-6-7-18(28)22(29)17(15)13-40-20-5-3-2-4-16(20)23/h2-9,21,23H,10-14H2,1H3/t21-,23+/m1/s1"	""	""	""
"11569"	"balsalazide"	""	"Synthetic organic"	"yes"	""	""	""	"441604941"	"54585"	""	""	"CHEMBL1208641"	""	""	""	""	"5-[[4-(2-carboxyethylcarbamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid"	"balsalazide"	"Colazal&reg;|Colazide&reg;|Giazo&reg;"	"OC(=O)CCNC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O"	"IPOKCKJONYRRHP-UHFFFAOYSA-N"	"InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)"	""	""	""
"14591"	"balstilimab"	""	"Antibody"	""	""	""	""	"530846839"	"0"	""	""	""	""	""	""	""	""	"balstilimab"	"AGEN-2034|AGEN2034|AGEN2034w"	""	""	""	""	""	""
"14378"	"balumorexton"	""	"Synthetic organic"	""	""	""	""	"523352170"	"171548344"	""	""	""	""	""	""	""	"N-[(6R)-7,7-difluoro-2-[5-fluoro-4-(2,4,6-trifluorophenyl)-1,2-benzoxazol-3-yl]-3-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-6-yl]methanesulfonamide"	"balumorexton"	"example 77 [WO2024095133]"	"FC1([C@@H](CN2C(N(C=C21)C3=NOC4=C3C(=C(C=C4)F)C5=C(C=C(C=C5F)F)F)=O)NS(=O)(=O)C)F"	"QYIMOBVUEGPQSO-CYBMUJFWSA-N"	"InChI=1S/C20H12F6N4O4S/c1-35(32,33)28-13-6-29-14(20(13,25)26)7-30(19(29)31)18-17-12(34-27-18)3-2-9(22)16(17)15-10(23)4-8(21)5-11(15)24/h2-5,7,13,28H,6H2,1H3/t13-/m1/s1"	""	""	""
"6601"	"bambuterol"	""	"Synthetic organic"	"yes"	""	""	""	"178103214"	"54766"	""	""	"CHEMBL521589"	""	""	""	""	"[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate"	"bambuterol"	"Bambec&reg;|Oxeol&reg;"	"O=C(N(C)C)Oc1cc(cc(c1)OC(=O)N(C)C)C(CNC(C)(C)C)O"	"ANZXOIAKUNOVQU-UHFFFAOYSA-N"	"InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3"	""	""	""
"11325"	"bamlanivimab"	""	"Antibody"	""	"yes"	""	""	"434321760"	"0"	""	""	""	""	""	""	""	""	"bamlanivimab"	"LY-3819253|LY-CoV555|LY3819253"	""	""	""	""	""	""
"10553"	"bamocaftor"	""	"Synthetic organic"	""	""	""	""	"404859001"	"134393443"	""	""	""	""	""	""	""	"N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide"	"bamocaftor"	"compound 1 [WO2018064632A1]|VX-659|VX659"	"C[C@@H]1CN(C(C1)(C)C)c1nc(ccc1C(=O)NS(=O)(=O)c1ccccc1)n1ccc(n1)OCCC1(CC1)C(F)(F)F"	"IGEOJNMYRZUKIK-IBGZPJMESA-N"	"InChI=1S/C28H32F3N5O4S/c1-19-17-26(2,3)35(18-19)24-21(25(37)34-41(38,39)20-7-5-4-6-8-20)9-10-22(32-24)36-15-11-23(33-36)40-16-14-27(12-13-27)28(29,30)31/h4-11,15,19H,12-14,16-18H2,1-3H3,(H,34,37)/t19-/m0/s1"	""	""	""
"4891"	"B and T lymphocyte attenuator"	"Human"	"Peptide"	""	""	""	""	"178101591"	"0"	"Q7Z6A9"	"ENSG00000186265"	""	""	""	""	""	""	""	"B- and T-lymphocyte attenuator|B- and T-lymphocyte-associated protein|BTLA|CD272"	""	""	""	"yes"	""	""
"6176"	"bantag-1"	""	"Synthetic organic"	""	""	""	""	"178102797"	"73755180"	""	""	""	""	""	""	""	"4-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-(cyclohexa-1,3-dien-1-yl)-N-methylpropanamido)-3-{[1-cyclohexyl-3-hydroxy-4-({3-methyl-1-[({5-[(trimethylazaniumyl)methyl]cyclohexa-1,5-dien-1-yl}methyl)carbamoyl]butyl}carbamoyl)butan-2-yl]amino}-3-hydroxypropyl]-1H-imidazol-3-ium"	""	""	"CC(C[C@@H](C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)C[C@@H]([C@@H](NC([C@@H](N(C(=O)[C@H](CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C"	"DAWSYEXBFLQUER-SLMIJXFKSA-P"	"InChI=1S/C49H80N8O7/c1-33(2)23-40(45(60)51-29-36-21-16-22-37(24-36)31-57(7,8)9)53-44(59)28-43(58)39(25-34-17-12-10-13-18-34)54-46(61)42(27-38-30-50-32-52-38)56(6)47(62)41(26-35-19-14-11-15-20-35)55-48(63)64-49(3,4)5/h11,14,19,21,24,30,32-34,39-43,46,54,58,61H,10,12-13,15-18,20,22-23,25-29,31H2,1-9H3,(H3-,50,51,52,53,55,59,60,63)/p+2/t39-,40-,41-,42-,43-,46?/m0/s1"	""	""	""
"796"	"banyu (I)"	""	"Synthetic organic"	""	""	""	""	"135649979"	"9913085"	""	""	"CHEMBL20921"	""	""	""	""	"2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide"	""	"Banyu Compound 1b"	"O=C(NC1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)CSc1nc2c(s1)cc(cc2)N"	"QOHFBKIKGAINLL-UHFFFAOYSA-N"	"InChI=1S/C21H22Cl2N4OS2/c22-16-3-1-13(9-17(16)23)11-27-7-5-15(6-8-27)25-20(28)12-29-21-26-18-4-2-14(24)10-19(18)30-21/h1-4,9-10,15H,5-8,11-12,24H2,(H,25,28)"	""	""	""
"6930"	"bapineuzumab"	""	"Antibody"	""	""	""	""	"178103512"	"0"	""	""	""	""	""	""	""	""	"bapineuzumab"	"3D-6|AAB-001"	""	""	""	""	""	""
"14680"	"BAR502"	""	"Synthetic organic"	""	""	""	""	"530846928"	"101886309"	""	""	"CHEMBL3342086"	""	""	""	""	"(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-4-hydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol"	""	"BAR-502|NorECDCOH"	"CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCO)C)C)O"	"HYCMOIGNYNCMRH-APIYUPOTSA-N"	"InChI=1S/C25H44O3/c1-5-17-21-14-16(27)8-11-25(21,4)20-9-12-24(3)18(15(2)10-13-26)6-7-19(24)22(20)23(17)28/h15-23,26-28H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-/m1/s1"	""	""	""
"7332"	"barasertib"	""	"Synthetic organic"	""	""	""	""	"178103904"	"11497983"	""	""	"CHEMBL415049"	""	""	""	""	"2-[ethyl-[3-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate"	"barasertib"	"AZD1152"	"CCN(CCOP(=O)(O)O)CCCOc1ccc2c(c1)ncnc2Nc1n[nH]c(c1)CC(=O)Nc1cccc(c1)F"	"GBJVVSCPOBPEIT-UHFFFAOYSA-N"	"InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)"	""	""	""
"5663"	"barasertib-hQPA"	""	"Synthetic organic"	""	""	""	""	"178102291"	"16007391"	""	""	"CHEMBL215152"	""	""	""	""	"2-{5-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}quinazolin-4-yl)amino]-1H-pyrazol-3-yl}-N-(3-fluorophenyl)acetamide"	""	"AZD-1152HQPA|AZD2811|INH 34"	"OCCN(CCCOc1ccc2c(c1)ncnc2Nc1[nH]nc(c1)CC(=O)Nc1cccc(c1)F)CC"	"QYZOGCMHVIGURT-UHFFFAOYSA-N"	"InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)"	""	""	""
"2717"	"bardoxolone"	""	"Synthetic organic"	""	""	""	""	"135650061"	"400010"	""	""	"CHEMBL1093059"	""	""	""	""	"(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylic acid"	"bardoxolone"	"CDDO|RTA-401"	"N#CC1=C[C@@]2(C)[C@H](C(C1=O)(C)C)CC[C@@]1(C2=CC(=O)[C@H]2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C"	"TXGZJQLMVSIZEI-UQMAOPSPSA-N"	"InChI=1S/C31H41NO4/c1-26(2)10-12-31(25(35)36)13-11-30(7)23(19(31)16-26)20(33)14-22-28(5)15-18(17-32)24(34)27(3,4)21(28)8-9-29(22,30)6/h14-15,19,21,23H,8-13,16H2,1-7H3,(H,35,36)/t19-,21-,23-,28-,29+,30+,31-/m0/s1"	"yes"	""	""
"7792"	"baricitinib"	""	"Synthetic organic"	"yes"	""	""	""	"223366123"	"44205240"	""	""	"CHEMBL2105759"	""	""	""	""	"2-(3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile"	"baricitinib"	"INCB-028050|INCB028050|LY-3009104|LY3009104|Olumiant&reg;"	"N#CCC1(CN(C1)S(=O)(=O)CC)n1ncc(c1)c1ncnc2c1cc[nH]2"	"XUZMWHLSFXCVMG-UHFFFAOYSA-N"	"InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)"	"yes"	""	""
"10890"	"barusiban"	""	"Peptide"	""	""	""	""	"405560331"	"9832431"	""	""	"CHEMBL2218898"	""	""	""	""	"(4S,7S,10S,13S,16R)-N-[(2S)-5-amino-1-hydroxypentan-2-yl]-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-[(2R)-butan-2-yl]-16-(1H-indol-3-ylmethyl)-N-methyl-6,9,12,15,18-pentaoxo-1-thia-5,8,11,14,17-pentazacycloicosane-4-carboxamide"	"barusiban"	"C<sup>4.6</sup>,S1-cyclo[N-(3-sulfanylpropanoyl)-D-tryptophyl-L-isoleucyl-L-alloisoleucyl-L-asparaginyl-L-2-aminobutanoyl-N-methyl-L-ornithinol]|FE 200 440|FE-200440"	"NCCC[C@H](N(C(=O)[C@@H]1CCSCCC(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)[C@@H](CC)C)[C@H](CC)C)C)CO"	"UGNGRKKDUVKQDF-IHOMMZCZSA-N"	"InChI=1S/C40H63N9O8S/c1-6-23(3)34-38(55)46-31(20-32(42)51)36(53)45-29(40(57)49(5)26(22-50)11-10-16-41)14-17-58-18-15-33(52)44-30(19-25-21-43-28-13-9-8-12-27(25)28)37(54)47-35(24(4)7-2)39(56)48-34/h8-9,12-13,21,23-24,26,29-31,34-35,43,50H,6-7,10-11,14-20,22,41H2,1-5H3,(H2,42,51)(H,44,52)(H,45,53)(H,46,55)(H,47,54)(H,48,56)/t23-,24+,26+,29+,30-,31+,34+,35+/m1/s1"	""	""	""
"11607"	"barzolvolimab"	""	"Antibody"	""	""	""	""	"442878641"	"0"	""	""	""	""	""	""	""	""	"barzolvolimab"	"CDX-0159"	""	""	""	""	""	""
"10976"	"BAS-118"	""	"Synthetic organic"	""	""	""	""	"405560417"	"9883483"	""	""	"CHEMBL141566"	""	""	""	""	"N-methyl-3-[(2-naphthalen-2-ylacetyl)amino]benzamide"	""	"BAS118|compound 7n [PMID: 11728192]"	"CNC(=O)c1cccc(c1)NC(=O)Cc1ccc2c(c1)cccc2"	"VQVCFYIDCWPSNE-UHFFFAOYSA-N"	"InChI=1S/C20H18N2O2/c1-21-20(24)17-7-4-8-18(13-17)22-19(23)12-14-9-10-15-5-2-3-6-16(15)11-14/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23)"	""	""	"yes"
"6879"	"basiliximab"	""	"Antibody"	"yes"	""	""	""	"178103461"	"0"	""	""	""	""	""	""	""	""	"basiliximab"	"CHI-621|L04AC02|SDZ-CHI-621|Simulect&reg;"	""	""	""	"yes"	""	""
"9309"	"basimglurant"	""	"Synthetic organic"	""	""	""	""	"318164828"	"11438771"	""	""	"CHEMBL3301626"	""	""	""	""	"2-chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethylimidazol-4-yl]ethynyl]pyridine"	"basimglurant"	"compound 2 [PMID: 25565255]|RG-7090|RO-4917523|Ro4917523"	"Fc1ccc(cc1)n1c(C)nc(c1C)C#Cc1ccnc(c1)Cl"	"UPZWINBEAHDTLA-UHFFFAOYSA-N"	"InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3"	""	""	""
"10427"	"basmisanil"	""	"Synthetic organic"	""	""	""	""	"385612187"	"57336276"	""	""	"CHEMBL3681419"	""	""	""	""	"(1,1-dioxo-1,4-thiazinan-4-yl)-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone"	"basmisanil"	"example 112 [WO2009071476]|RG-1662|RG1662"	"Fc1ccc(cc1)c1noc(c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1)C"	"VCGRFBXVSFAGGA-UHFFFAOYSA-N"	"InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3"	""	""	""
"12611"	"basroparib"	""	"Synthetic organic"	""	""	""	""	"479821401"	"137017382"	""	""	"CHEMBL5095091"	""	""	""	""	"5-(4-(2,6-difluoro-4-(2-methoxyethoxy)phenyl)piperazin-1-yl)-3-methyl-3,6-dihydro-7H-[1,2,3]triazolo [4,5-d]pyrimidin-7-one"	"basroparib"	"STP-1002|STP1002"	"FC1=C(C(=CC(=C1)OCCOC)F)N2CCN(CC2)C=3NC(C4=C(N3)N(N=N4)C)=O"	"ALDDPEMJJONRDI-UHFFFAOYSA-N"	"InChI=1S/C18H21F2N7O3/c1-25-16-14(23-24-25)17(28)22-18(21-16)27-5-3-26(4-6-27)15-12(19)9-11(10-13(15)20)30-8-7-29-2/h9-10H,3-8H2,1-2H3,(H,21,22,28)"	""	""	""
"5644"	"BASS antagonist"	""	"Peptide"	""	""	""	""	"178102272"	"0"	""	""	""	""	""	""	""	""	""	"BASS antagonist Analog 4"	""	""	""	""	""	""
"2344"	"Ba<sup>2+</sup>"	""	"Inorganic"	""	""	""	""	"135652729"	"104810"	""	""	""	""	""	""	""	""	""	"barium ion"	""	""	""	""	""	""
"5145"	"batimastat"	""	"Synthetic organic"	""	""	""	""	"178101837"	"5362422"	""	""	"CHEMBL279786"	""	""	""	""	"(2R,3S)-N-hydroxy-N'-[(1S)-1-(methylcarbamoyl)-2-phenylethyl]-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide"	"batimastat"	"BB 94|BB-94|BB94"	"CNC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C(=O)NO)CSc1cccs1)CC(C)C)Cc1ccccc1"	"XFILPEOLDIKJHX-QYZOEREBSA-N"	"InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1"	""	""	""
"13805"	"batoclimab"	""	"Antibody"	""	""	""	""	"507750438"	"0"	""	""	""	""	""	""	""	""	"batoclimab"	"HBM9161|HL161|HL161ANS|IMVT-1401|RVT-1401"	""	""	""	"yes"	""	""
"12068"	"batoprotafib"	""	"Synthetic organic"	""	""	""	""	"472319190"	"118238370"	""	""	"CHEMBL4650521"	""	""	""	""	"(3S,4S)-8-[6-amino-5-(2-amino-3-chloropyridin-4-yl)sulfanylpyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine"	"batoprotafib"	"compound 1 [PMID: 32910655]|TNO-155|TNO155"	"Nc1nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)cnc1Sc1c(Cl)c(N)ncc1"	"UCJZOKGUEJUNIO-IINYFYTJSA-N"	"InChI=1S/C18H24ClN7OS/c1-10-14(20)18(9-27-10)3-6-26(7-4-18)12-8-24-17(16(22)25-12)28-11-2-5-23-15(21)13(11)19/h2,5,8,10,14H,3-4,6-7,9,20H2,1H3,(H2,21,23)(H2,22,25)/t10-,14+/m0/s1"	""	""	""
"2619"	"batrachotoxin"	""	"Natural product"	""	""	""	""	"135652668"	"6324647"	""	""	""	""	""	""	""	""	""	""	"CN1CCO[C@@]23[C@](C1)(C[C@@H](O)[C@]14C3=CC[C@H]3[C@]4(C)CC[C@](O1)(O)C3)C(=CC2)[C@@H](OC(=O)c1c(C)c[nH]c1C)C"	"ISNYUQWBWALXEY-OMIQOYQYSA-N"	"InChI=1S/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20-,21+,24+,27-,28-,29+,30-,31-/m0/s1"	""	""	""
"11119"	"bavarostat"	""	"Synthetic organic"	""	""	""	""	"434122179"	"134812690"	""	""	"CHEMBL4165724"	""	""	""	""	""	""	"compound 4 [PMID: 30118224]"	"ONC(=O)c1ccc(c(c1)F)CN(CC12CC3CC(C2)CC(C1)C3)C"	"IGZQZELTOHAHNW-UHFFFAOYSA-N"	"InChI=1S/C20H27FN2O2/c1-23(11-17-3-2-16(7-18(17)21)19(24)22-25)12-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15,25H,4-6,8-12H2,1H3,(H,22,24)"	""	""	""
"11512"	"bavdegalutamide"	""	"Synthetic organic"	""	""	""	""	"441604884"	"134414307"	""	""	""	""	""	""	""	"6-[4-({4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]piperazin-1-yl}methyl)piperidin-1-yl]-N-[(1r,4r)-4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridazine-3-carboxamide"	"bavdegalutamide"	"ARV-110|ARV110|compound 406 [WO2018071606A1]"	"N#Cc1ccc(cc1Cl)O[C@@H]1CC[C@H](CC1)NC(=O)c1ccc(nn1)N1CCC(CC1)CN1CCN(CC1)c1cc2C(=O)N(C(=O)c2cc1F)C1CCC(=O)NC1=O"	"CLCTZVRHDOAUGJ-SYVGMNBRSA-N"	"InChI=1S/C41H43ClFN9O6/c42-31-19-28(4-1-25(31)22-44)58-27-5-2-26(3-6-27)45-38(54)33-7-9-36(48-47-33)51-13-11-24(12-14-51)23-49-15-17-50(18-16-49)35-21-30-29(20-32(35)43)40(56)52(41(30)57)34-8-10-37(53)46-39(34)55/h1,4,7,9,19-21,24,26-27,34H,2-3,5-6,8,10-18,23H2,(H,45,54)(H,46,53,55)/t26-,27-,34?"	""	""	""
"8002"	"bavituximab"	""	"Antibody"	""	""	""	""	"249565682"	"0"	""	""	""	""	""	""	""	""	"bavituximab"	"Tarvacin ch3G4"	""	""	""	""	""	""
"12362"	"baxdrostat"	""	"Synthetic organic"	"yes"	""	""	""	"479821153"	"71535962"	""	""	"CHEMBL4113975"	""	""	""	""	"N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide"	"baxdrostat"	"Baxfendy&reg;|CIN-107|CIN107|RO6836191"	"CCC(=O)N[C@@H]1CCCc2c1cncc2c1cc2c(cc1)N(C(=O)CC2)C"	"VDEUDSRUMNAXJG-LJQANCHMSA-N"	"InChI=1S/C22H25N3O2/c1-3-21(26)24-19-6-4-5-16-17(12-23-13-18(16)19)14-7-9-20-15(11-14)8-10-22(27)25(20)2/h7,9,11-13,19H,3-6,8,10H2,1-2H3,(H,24,26)/t19-/m1/s1"	""	""	""
"12232"	"BAY-069"	""	"Synthetic organic"	""	""	""	""	"473153820"	"155555842"	""	""	"CHEMBL4551635"	""	""	""	""	"3-[4-chloro-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione"	""	"BAY069|compound 36a [PMID: 36261130]"	"Cc1ccccc1Oc1cc(n2c(=O)[nH]c(cc2=O)C(F)(F)F)c2ccccc2c1Cl"	"UNSHMXUHOHBLIQ-UHFFFAOYSA-N"	"InChI=1S/C22H14ClF3N2O3/c1-12-6-2-5-9-16(12)31-17-10-15(13-7-3-4-8-14(13)20(17)23)28-19(29)11-18(22(24,25)26)27-21(28)30/h2-11H,1H3,(H,27,30)"	""	""	""
"11793"	"BAY-091"	""	"Synthetic organic"	""	""	""	""	"458923828"	"155884467"	""	""	""	""	""	""	""	"(2R)-2-[[3-cyano-2-[4-(2-fluoro-3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid"	""	"BAY091|compound 60 [PMID: 34699202]"	"C(#N)c1c(nc2cnccc2c1N[C@@H](C(=O)O)CC)c1ccc(cc1)c1c(c(ccc1)C)F"	"DVIVLYHDLNAXAT-OAQYLSRUSA-N"	"InChI=1S/C26H21FN4O2/c1-3-21(26(32)33)30-25-19-11-12-29-14-22(19)31-24(20(25)13-28)17-9-7-16(8-10-17)18-6-4-5-15(2)23(18)27/h4-12,14,21H,3H2,1-2H3,(H,30,31)(H,32,33)/t21-/m1/s1"	""	""	""
"10908"	"BAY1125976"	""	"Synthetic organic"	""	""	""	""	"405560349"	"70817911"	""	""	""	""	""	""	""	"2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide"	""	"BAY-1125976|Example 5 [WO2012136776A1]"	"NC(=O)c1ccc2n(n1)c(c1ccccc1)c(n2)c1ccc(cc1)C1(N)CCC1"	"JBGYKRAZYDNCNV-UHFFFAOYSA-N"	"InChI=1S/C23H21N5O/c24-22(29)18-11-12-19-26-20(21(28(19)27-18)16-5-2-1-3-6-16)15-7-9-17(10-8-15)23(25)13-4-14-23/h1-3,5-12H,4,13-14,25H2,(H2,24,29)"	""	""	""
"5934"	"BAY 11-7082"	""	"Synthetic organic"	""	""	""	""	"178102557"	"5353431"	""	""	"CHEMBL403183"	""	""	""	""	"(2E)-3-[(4-methylbenzene)sulfonyl]prop-2-enenitrile"	""	"(E)-3-tosylacrylonitrile|BAY-117082|BAY117082"	"N#C/C=C/S(=O)(=O)c1ccc(cc1)C"	"DOEWDSDBFRHVAP-KRXBUXKQSA-N"	"InChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3/b8-2+"	"yes"	""	""
"12784"	"BAY1214784"	""	"Synthetic organic"	""	""	""	""	"483123332"	"85469632"	""	""	"CHEMBL4537788"	""	""	""	""	"(2S)-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]-2-cyclopropyl-1-(4-fluorophenyl)sulfonyl-1',1'-dioxospiro[2H-indole-3,4'-thiane]-5-carboxamide"	""	"BAY 1214784|BAY-1214784|BAY-784|compound 5a [PMID: 32960053]|ent-5a"	"ClC1=C(CNC(C2=CC=C3N(S(=O)(C4=CC=C(F)C=C4)=O)[C@@H](C5CC5)C6(CCS(CC6)(=O)=O)C3=C2)=O)N=CC(C(F)(F)F)=C1"	"PZGSYNNVPNLHQG-SANMLTNESA-N"	"InChI=1S/C29H26ClF4N3O5S2/c30-23-14-19(29(32,33)34)15-35-24(23)16-36-27(38)18-3-8-25-22(13-18)28(9-11-43(39,40)12-10-28)26(17-1-2-17)37(25)44(41,42)21-6-4-20(31)5-7-21/h3-8,13-15,17,26H,1-2,9-12,16H2,(H,36,38)/t26-/m0/s1"	""	""	""
"12705"	"BAY1217389"	""	"Synthetic organic"	""	""	""	""	"483123253"	"78320750"	""	""	"CHEMBL4456085"	""	""	""	""	"N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide"	""	"BAY 1217389|BAY-1217389|compound 35 [PMID: 31121430]"	"O=C(NC1CC1)C=2C=CC(=CC2C)C3=CN=C4N3N=C(OC5=C(F)C(F)=C(C=C5)OC)C=C4NCCC(F)(F)F"	"WNEILUNVMHVMPH-UHFFFAOYSA-N"	"InChI=1S/C27H24F5N5O3/c1-14-11-15(3-6-17(14)26(38)35-16-4-5-16)19-13-34-25-18(33-10-9-27(30,31)32)12-22(36-37(19)25)40-21-8-7-20(39-2)23(28)24(21)29/h3,6-8,11-13,16,33H,4-5,9-10H2,1-2H3,(H,35,38)"	""	""	""
"9119"	"BAY1238097"	""	"Synthetic organic"	""	""	""	""	"315661204"	"118237331"	""	""	"CHEMBL4077154"	""	""	""	""	"(4S)-7,8-dimethoxy-N,4-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-2,3-benzodiazepine-3-carboxamide"	""	"BAY 1238097|BAY-1238097"	"CNC(=O)N1N=C(C2=CC=C(C=C2)N3CCN(C)CC3)C4=CC(OC)=C(OC)C=C4C[C@@H]1C"	"CJIPEACKIJJYED-KRWDZBQOSA-N"	"InChI=1S/C25H33N5O3/c1-17-14-19-15-22(32-4)23(33-5)16-21(19)24(27-30(17)25(31)26-2)18-6-8-20(9-7-18)29-12-10-28(3)11-13-29/h6-9,15-17H,10-14H2,1-5H3,(H,26,31)/t17-/m0/s1"	""	""	""
"12783"	"BAY1316957"	""	"Synthetic organic"	""	""	""	""	"483123331"	"90202558"	""	""	"CHEMBL4526403"	""	""	""	""	"2-(9-ethyl-6-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid"	""	"BAY 1316957|BAY-1316957|compound 32 [PMID: 30707023]"	"O=C(O)C1=CC=C2N(CCOC)C(C3=CC=C4N(CC)C=5C=CC(=CC5C4=C3)C)=NC2=C1C"	"FHXIZAPGGULPIK-UHFFFAOYSA-N"	"InChI=1S/C27H27N3O3/c1-5-29-22-9-6-16(2)14-20(22)21-15-18(7-10-23(21)29)26-28-25-17(3)19(27(31)32)8-11-24(25)30(26)12-13-33-4/h6-11,14-15H,5,12-13H2,1-4H3,(H,31,32)"	""	""	""
"12567"	"BAY-1797"	""	"Synthetic organic"	""	""	""	""	"479821357"	"124125214"	""	""	"CHEMBL4521594"	""	""	""	""	"N-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide"	""	"BAY1797"	"C1=CC=C(C=C1)CC(=O)NC2=CC(=C(C=C2)OC3=CC(=CC=C3)Cl)S(=O)(=O)N"	"CSJYMAFXYMYNCK-UHFFFAOYSA-N"	"InChI=1S/C20H17ClN2O4S/c21-15-7-4-8-17(12-15)27-18-10-9-16(13-19(18)28(22,25)26)23-20(24)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,23,24)(H2,22,25,26)"	""	""	""
"13101"	"BAY1830839"	""	"Synthetic organic"	""	""	""	""	"491299883"	"121364971"	""	""	"CHEMBL4782801"	""	""	""	""	"N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide"	""	"BAY-1830839|example 11 [WO2016083433A1]"	"CC(C)(O)CCN1C=C2C=C(NC(=O)C=3C=CC=C(N3)C(F)(F)F)C(=CC2=N1)C(C)(C)O"	"NWFPCWIBSBZRGV-UHFFFAOYSA-N"	"InChI=1S/C22H25F3N4O3/c1-20(2,31)8-9-29-12-13-10-17(14(21(3,4)32)11-16(13)28-29)27-19(30)15-6-5-7-18(26-15)22(23,24)25/h5-7,10-12,31-32H,8-9H2,1-4H3,(H,27,30)"	"yes"	""	""
"13637"	"BAY2413555"	""	"Synthetic organic"	""	""	""	""	"504705456"	"172431614"	""	""	""	""	""	""	""	""	""	"BAY 2413555|BAY-2413555|compound 27 [PMID: 39463278]"	"C[C@H](NC(=O)C1=CN(C2=NC(N3C[C@@H](O)[C@H](O)C3)=C(F)C=C2C1=O)C4=C(F)C=C(F)C=C4F)C(F)(F)C(F)(F)F"	"VTFWALACVWFKNO-OCJYXSBASA-N"	"InChI=1S/C23H17F9N4O4/c1-8(22(28,29)23(30,31)32)33-21(40)11-5-36(17-12(25)2-9(24)3-13(17)26)19-10(18(11)39)4-14(27)20(34-19)35-6-15(37)16(38)7-35/h2-5,8,15-16,37-38H,6-7H2,1H3,(H,33,40)/t8-,15+,16+/m0/s1"	""	""	""
"13974"	"BAY-277"	""	"Synthetic organic"	""	""	""	""	"518520601"	"172472598"	""	""	"CHEMBL5465171"	""	""	""	""	"3-[3-oxo-6-[1-[6-[4-[4-(7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazin-6-yloxy)phenyl]piperidin-1-yl]hexanoyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione"	""	"BAY277"	"C1CCC2=C(C1)C3=NN=CN3N=C2OC4=CC=C(C=C4)C5CCN(CC5)CCCCCC(=O)N6CCC(CC6)C7=CC8=C(C=C7)C(=O)N(C8)C9CCC(=O)NC9=O"	"HLNCBKSDCCIOPT-UHFFFAOYSA-N"	"InChI=1S/C44H52N8O5/c53-39-16-15-38(42(55)46-39)51-27-33-26-32(11-14-35(33)44(51)56)31-19-24-50(25-20-31)40(54)8-2-1-5-21-49-22-17-30(18-23-49)29-9-12-34(13-10-29)57-43-37-7-4-3-6-36(37)41-47-45-28-52(41)48-43/h9-14,26,28,30-31,38H,1-8,15-25,27H2,(H,46,53,55)"	""	""	""
"3491"	"BAY27-9955"	""	"Synthetic organic"	""	""	""	""	"178100480"	"5311277"	""	""	"CHEMBL1933348"	""	""	""	""	"1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol"	""	"Bay 27-9955|BAY 27-9955|BAY-279955"	"CCCc1c(cc(c(c1c1ccc(cc1)F)C(O)C)C(C)C)C(C)C"	"VDTWKXAPIQBOMO-UHFFFAOYSA-N"	"InChI=1S/C23H31FO/c1-7-8-19-20(14(2)3)13-21(15(4)5)22(16(6)25)23(19)17-9-11-18(24)12-10-17/h9-16,25H,7-8H2,1-6H3"	""	""	""
"10480"	"BAY-293"	""	"Synthetic organic"	""	""	""	""	"385612239"	"137322663"	""	""	""	""	""	""	""	"6,7-dimethoxy-2-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine"	""	"BAY293|compound 23 [PMID: 30683722]"	"CNCc1ccccc1c1csc(c1)[C@H](Nc1nc(C)nc2c1cc(OC)c(c2)OC)C"	"WEGLOYDTDILXDA-OAHLLOKOSA-N"	"InChI=1S/C25H28N4O2S/c1-15(24-10-18(14-32-24)19-9-7-6-8-17(19)13-26-3)27-25-20-11-22(30-4)23(31-5)12-21(20)28-16(2)29-25/h6-12,14-15,26H,13H2,1-5H3,(H,27,28,29)/t15-/m1/s1"	""	""	""
"11794"	"BAY-297"	""	"Synthetic organic"	""	""	""	""	"458923829"	"155884469"	""	""	""	""	""	""	""	"(2R)-2-[[2-[4-(3-chloro-2-fluorophenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide"	""	"BAY297|compound 58 [PMID: 34699202]"	"Clc1c(c(ccc1)c1ccc(cc1)c1nc2cnccc2c(c1C#N)N[C@@H](C(=O)N)CC)F"	"LACMSNCHWBQXEK-HXUWFJFHSA-N"	"InChI=1S/C25H19ClFN5O/c1-2-20(25(29)33)31-24-17-10-11-30-13-21(17)32-23(18(24)12-28)15-8-6-14(7-9-15)16-4-3-5-19(26)22(16)27/h3-11,13,20H,2H2,1H3,(H2,29,33)(H,31,32)/t20-/m1/s1"	""	""	""
"9524"	"BAY-299"	""	"Synthetic organic"	""	""	""	""	"336446910"	"122705990"	""	""	""	""	""	""	""	"6-(3-hydroxypropyl)-2-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione"	""	""	"OCCCc1ccc2c3c1cccc3c(=O)n(c2=O)c1cc2c(cc1C)n(c(=O)n2C)C"	"OFWWWKWUCDUISA-UHFFFAOYSA-N"	"InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3"	""	""	""
"9126"	"BAY-320"	""	"Synthetic organic"	""	""	""	""	"315661211"	"71611462"	""	""	""	""	""	""	""	"2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine"	""	""	"CCOc1cc(F)c(c(c1)F)Cn1nc(c(c1C1CC1)C)c1ncc(c(n1)Nc1ccncc1)OC"	"WAELFQHBZPHEMW-UHFFFAOYSA-N"	"InChI=1S/C26H26F2N6O2/c1-4-36-18-11-20(27)19(21(28)12-18)14-34-24(16-5-6-16)15(2)23(33-34)26-30-13-22(35-3)25(32-26)31-17-7-9-29-10-8-17/h7-13,16H,4-6,14H2,1-3H3,(H,29,30,31,32)"	""	""	""
"13845"	"BAY 3389934"	""	"Synthetic organic"	""	""	""	""	"513757530"	"167495591"	""	""	""	""	""	""	""	"2-(1-methylimidazol-2-yl)ethyl (2S)-3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[2-ethyl-3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]sulfonylamino]propanoate"	""	"BAY-3389934|BAY3389934|example 1 [US20230391761A1]"	"CCC1=C(C=CC=C1S(=O)(=O)N[C@@H](CNC(=O)C2=CC=C(Cl)S2)C(=O)OCCC3=NC=CN3C)N4CC[C@H](O)C4=O"	"UHRIYOJEACOYON-HKUYNNGSSA-N"	"InChI=1S/C26H30ClN5O7S2/c1-3-16-18(32-12-9-19(33)25(32)35)5-4-6-21(16)41(37,38)30-17(15-29-24(34)20-7-8-22(27)40-20)26(36)39-14-10-23-28-11-13-31(23)2/h4-8,11,13,17,19,30,33H,3,9-10,12,14-15H2,1-2H3,(H,29,34)/t17-,19-/m0/s1"	""	""	""
"1381"	"BAY 367620"	""	"Synthetic organic"	""	""	""	""	"135649980"	"9903757"	""	""	"CHEMBL254372"	""	""	""	""	"(3aS,6aS)-5-methylidene-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one"	""	"BAY 36-7620|BAY-367620|BAY36-7620"	"C=C1C[C@H]2[C@](C1)(Cc1ccc3c(c1)cccc3)C(=O)OC2"	"CVIRWLJKDBYYOG-MJGOQNOKSA-N"	"InChI=1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2/t17-,19+/m1/s1"	""	""	""
"5146"	"BAY412272"	""	"Synthetic organic"	""	""	""	""	"178101838"	"9798973"	""	""	"CHEMBL353759"	""	""	""	""	"5-cyclopropyl-2-{1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl}pyrimidin-4-amine"	""	"BAY 41-2272|BAY-412272"	"Fc1ccccc1Cn1nc(c2c1nccc2)c1ncc(c(n1)N)C1CC1"	"ATOAHNRJAXSBOR-UHFFFAOYSA-N"	"InChI=1S/C20H17FN6/c21-16-6-2-1-4-13(16)11-27-20-14(5-3-9-23-20)17(26-27)19-24-10-15(12-7-8-12)18(22)25-19/h1-6,9-10,12H,7-8,11H2,(H2,22,24,25)"	""	""	""
"13801"	"BAY 41-8543"	""	"Synthetic organic"	""	""	""	""	"507750434"	"9953906"	""	""	"CHEMBL1916024"	""	""	""	""	"2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-morpholin-4-ylpyrimidine-4,6-diamine"	""	"BAY 418543|BAY-41-8543|BAY-418543|BAY418543"	"C1COCCN1C2=C(N=C(N=C2N)C3=NN(C4=C3C=CC=N4)CC5=CC=CC=C5F)N"	"AQYFUZRYBJBAGZ-UHFFFAOYSA-N"	"InChI=1S/C21H21FN8O/c22-15-6-2-1-4-13(15)12-30-21-14(5-3-7-25-21)16(28-30)20-26-18(23)17(19(24)27-20)29-8-10-31-11-9-29/h1-7H,8-12H2,(H4,23,24,26,27)"	""	""	""
"13972"	"BAY-439"	""	"Synthetic organic"	""	""	""	""	"518520599"	"176516508"	""	""	""	""	""	""	""	""	""	""	"CCNC1=CC(=CC=N1)C#CC2=CC=C(OC3CCN(CC3)C(N)=O)C=C2"	"HRGRJDHSOFOGNO-UHFFFAOYSA-N"	"InChI=1S/C21H24N4O2/c1-2-23-20-15-17(9-12-24-20)4-3-16-5-7-18(8-6-16)27-19-10-13-25(14-11-19)21(22)26/h5-9,12,15,19H,2,10-11,13-14H2,1H3,(H2,22,26)(H,23,24)"	""	""	""
"9127"	"BAY-524"	""	"Synthetic organic"	""	""	""	""	"315661212"	"71611179"	""	""	""	""	""	""	""	"2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine"	""	"enterololin"	"CCOc1cc(F)c(c(c1)F)Cn1nc(c(c1OC)C)c1ncc(c(n1)Nc1ccncc1)OC"	"LMRCQVHTZUUHFN-UHFFFAOYSA-N"	"InChI=1S/C24H24F2N6O3/c1-5-35-16-10-18(25)17(19(26)11-16)13-32-24(34-4)14(2)21(31-32)23-28-12-20(33-3)22(30-23)29-15-6-8-27-9-7-15/h6-12H,5,13H2,1-4H3,(H,27,28,29,30)"	""	""	"yes"
"11224"	"BAY-545"	""	"Synthetic organic"	""	""	""	""	"434122284"	"118016229"	""	""	""	""	""	""	""	"3-ethyl-6-(4-hydroxypiperidine-1-carbonyl)-5-methyl-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione"	""	"BAY545|compound 8 [PMID: 30576906]"	"CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O"	"NTYVAKNEYLJAPT-UHFFFAOYSA-N"	"InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3"	""	""	""
"2269"	"BAY 55-9837"	""	"Peptide"	""	""	""	""	"135652009"	"155817438"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"	"XALJYDFLMDKOLY-ZBLLYJRDSA-N"	"InChI=1S/C167H269N51O47/c1-16-86(10)131(161(261)200-105(39-24-29-63-172)143(243)206-116(74-125(176)228)152(252)196-103(37-22-27-61-170)139(239)195-107(41-31-65-186-166(180)181)145(245)211-120(164(264)265)72-95-47-53-99(225)54-48-95)216-158(258)122(80-220)213-146(246)109(55-57-123(174)226)199-150(250)112(68-83(4)5)203-151(251)113(70-93-43-49-97(223)50-44-93)204-142(242)104(38-23-28-62-171)194-138(238)101(35-20-25-59-168)192-135(235)88(12)189-134(234)87(11)191-159(259)129(84(6)7)215-147(247)110(56-58-124(175)227)198-140(240)102(36-21-26-60-169)193-141(241)106(40-30-64-185-165(178)179)197-149(249)111(67-82(2)3)202-144(244)108(42-32-66-187-167(182)183)201-162(262)132(90(14)221)217-155(255)114(71-94-45-51-98(224)52-46-94)205-153(253)117(75-126(177)229)207-154(254)119(77-128(232)233)210-163(263)133(91(15)222)218-156(256)115(69-92-33-18-17-19-34-92)209-160(260)130(85(8)9)214-136(236)89(13)190-148(248)118(76-127(230)231)208-157(257)121(79-219)212-137(237)100(173)73-96-78-184-81-188-96/h17-19,33-34,43-54,78,81-91,100-122,129-133,219-225H,16,20-32,35-42,55-77,79-80,168-173H2,1-15H3,(H2,174,226)(H2,175,227)(H2,176,228)(H2,177,229)(H,184,188)(H,189,234)(H,190,248)(H,191,259)(H,192,235)(H,193,241)(H,194,238)(H,195,239)(H,196,252)(H,197,249)(H,198,240)(H,199,250)(H,200,261)(H,201,262)(H,202,244)(H,203,251)(H,204,242)(H,205,253)(H,206,243)(H,207,254)(H,208,257)(H,209,260)(H,210,263)(H,211,245)(H,212,237)(H,213,246)(H,214,236)(H,215,247)(H,216,258)(H,217,255)(H,218,256)(H,230,231)(H,232,233)(H,264,265)(H4,178,179,185)(H4,180,181,186)(H4,182,183,187)/t86-,87-,88-,89-,90+,91+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,129-,130-,131-,132-,133-/m0/s1"	""	""	""
"13298"	"BAY-593"	""	"Synthetic organic"	""	""	""	""	"496703268"	"169493199"	""	""	""	""	""	""	""	"3,3,3-trifluoro-2-methoxy-1-[(11R)-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-phenylpropan-1-one"	""	"BAY593"	"COC1=CC=CC=C1[C@@H]2CNCCC23CCN(CC3)C(=O)C(C4=CC=CC=C4)(C(F)(F)F)OC"	"CUNCJCWHVHIRLT-BWDMCYIDSA-N"	"InChI=1S/C26H31F3N2O3/c1-33-22-11-7-6-10-20(22)21-18-30-15-12-24(21)13-16-31(17-14-24)23(32)25(34-2,26(27,28)29)19-8-4-3-5-9-19/h3-11,21,30H,12-18H2,1-2H3/t21-,25?/m0/s1"	""	""	""
"10348"	"BAY-593074"	""	"Synthetic organic"	""	""	""	""	"381745029"	"10479060"	""	""	"CHEMBL1354658"	""	""	""	""	""	""	"BAY 59-3074|BAY-59-3074|BAY593074"	"N#Cc1c(cccc1C(F)(F)F)Oc1cccc(c1)OS(=O)(=O)CCCC(F)(F)F"	"LWUSZIVDPJPVBW-UHFFFAOYSA-N"	"InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2"	""	""	""
"8953"	"BAY-598"	""	"Synthetic organic"	""	""	""	""	"310264734"	"117072551"	""	""	""	""	""	""	""	"N-[(4S)-1-[(Z)-N'-cyano-N-[3-(difluoromethoxy)phenyl]carbamimidoyl]-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide"	""	""	"N#C/N=C(\N1C[C@@H](C(=N1)c1ccc(c(c1)Cl)Cl)N(C(=O)CO)CC)/Nc1cccc(c1)OC(F)F"	"OTTJIRVZJJGFTK-SFHVURJKSA-N"	"InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1"	""	""	""
"13977"	"BAY-6035"	""	"Synthetic organic"	""	""	""	""	"518520604"	"137499231"	""	""	"CHEMBL4746525"	""	""	""	""	"(2S)-1-(3-azabicyclo[3.1.0]hexane-3-carbonyl)-N-(2-cyclopropylethyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide"	""	"BAY6035"	"C[C@H]1CC(=O)NC2=C(N1C(=O)N3CC4CC4C3)C=CC(=C2)C(=O)NCCC5CC5"	"CKFRXCBNKKOFGO-IGEOTXOUSA-N"	"InChI=1S/C22H28N4O3/c1-13-8-20(27)24-18-10-15(21(28)23-7-6-14-2-3-14)4-5-19(18)26(13)22(29)25-11-16-9-17(16)12-25/h4-5,10,13-14,16-17H,2-3,6-9,11-12H2,1H3,(H,23,28)(H,24,27)/t13-,16?,17?/m0/s1"	""	""	""
"3289"	"BAY 60-6583"	""	"Synthetic organic"	""	""	""	""	"178100330"	"11717831"	""	""	""	""	""	""	""	"2-({6-amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl}sulfanyl)acetamide"	""	"BAY-60-6583|BAY60-6583"	"N#Cc1c(N)nc(c(c1c1ccc(cc1)OCC1CC1)C#N)SCC(=O)N"	"ZTYHZMAZUWOXNC-UHFFFAOYSA-N"	"InChI=1S/C19H17N5O2S/c20-7-14-17(12-3-5-13(6-4-12)26-9-11-1-2-11)15(8-21)19(24-18(14)23)27-10-16(22)25/h3-6,11H,1-2,9-10H2,(H2,22,25)(H2,23,24)"	""	""	""
"5147"	"BAY607550"	""	"Synthetic organic"	""	""	""	""	"178101839"	"135564787"	""	""	"CHEMBL370962"	""	""	""	""	"2-[(3,4-dimethoxyphenyl)methyl]-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one"	""	"BAY 60-7550|BAY-607550"	"COc1cc(ccc1OC)Cc1nc(=O)c2n([nH]1)c(nc2C)[C@H]([C@H](O)C)CCCc1ccccc1"	"MYTWFJKBZGMYCS-NQIIRXRSSA-N"	"InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1"	""	""	""
"9693"	"BAY 61-3606"	""	"Synthetic organic"	""	""	""	""	"348353652"	"10200390"	""	""	"CHEMBL1190711"	""	""	""	""	""	""	"BAY-61-3606|BAY-613606|BAY61-3606|Syk inhibitor IV"	"COc1cc(ccc1OC)c1nc(Nc2ncccc2C(=O)N)n2c(c1)ncc2"	"JWQOJVOKBAAAAR-UHFFFAOYSA-N"	"InChI=1S/C20H18N6O3/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19/h3-11H,1-2H3,(H2,21,27)(H,23,24,25)"	""	""	""
"11283"	"BAY-6672"	""	"Synthetic organic"	""	""	""	""	"434321718"	"146368333"	""	""	""	""	""	""	""	"(4R)-5-[(6-bromo-3-methyl-2-pyrrolidin-1-ylquinoline-4-carbonyl)amino]-4-(2-chlorophenyl)pentanoic acid"	""	"BAY6672|compound 46 [PMID: 32969660]"	"OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1"	"YQOLEILXOBUDMU-KRWDZBQOSA-N"	"InChI=1S/C26H27BrClN3O3/c1-16-24(20-14-18(27)9-10-22(20)30-25(16)31-12-4-5-13-31)26(34)29-15-17(8-11-23(32)33)19-6-2-3-7-21(19)28/h2-3,6-7,9-10,14,17H,4-5,8,11-13,15H2,1H3,(H,29,34)(H,32,33)/t17-/m0/s1"	""	""	""
"8956"	"BAY-678"	""	"Synthetic organic"	""	""	""	""	"310264737"	"117072553"	""	""	""	""	""	""	""	"5-[(2R)-3-acetyl-4-methyl-6-oxo-5-[3-(trifluoromethyl)phenyl]-1,2,5,6-tetrahydropyridin-2-yl]pyridine-2-carbonitrile"	""	""	"N#Cc1ccc(cn1)[C@H]1NC(=O)C(C(=C1C(=O)C)C)c1cccc(c1)C(F)(F)F"	"SHVLFOSIUCIFDN-MUMRKEEXSA-N"	"InChI=1S/C21H16F3N3O2/c1-11-17(12(2)28)19(14-6-7-16(9-25)26-10-14)27-20(29)18(11)13-4-3-5-15(8-13)21(22,23)24/h3-8,10,18-19H,1-2H3,(H,27,29)/t18?,19-/m1/s1"	""	""	""
"5851"	"BAY-73-1449"	""	"Synthetic organic"	""	""	""	""	"178102475"	"11743147"	""	""	""	""	""	""	""	"(2S)-3-phenyl-2-[[6-[4-(phenylmethoxy)phenyl]pyrimidin-4-yl]amino]propanoic acid"	""	""	"OC(=O)[C@@H](Nc1ncnc(c1)c1ccc(cc1)OCc1ccccc1)Cc1ccccc1"	"RRYFPNITZGCUPZ-DEOSSOPVSA-N"	"InChI=1S/C26H23N3O3/c30-26(31)24(15-19-7-3-1-4-8-19)29-25-16-23(27-18-28-25)21-11-13-22(14-12-21)32-17-20-9-5-2-6-10-20/h1-14,16,18,24H,15,17H2,(H,30,31)(H,27,28,29)/t24-/m0/s1"	""	""	""
"12763"	"BAY-747"	""	"Synthetic organic"	""	""	""	""	"483123311"	"90132548"	""	""	""	""	""	""	""	"N-[(2S)-2-amino-2-methylbutyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide"	""	"BAY 1165747|BAY747|compound 28 [PMID: 37040336]"	"CC[C@@](C)(CNC(=O)C1=C(N=C2N1C=C(C=C2OCC3=C(C=CC=C3F)F)C)C)N"	"MITNUFZPBQIMAT-QFIPXVFZSA-N"	"InChI=1S/C22H26F2N4O2/c1-5-22(4,25)12-26-21(29)19-14(3)27-20-18(9-13(2)10-28(19)20)30-11-15-16(23)7-6-8-17(15)24/h6-10H,5,11-12,25H2,1-4H3,(H,26,29)/t22-/m0/s1"	""	""	""
"13973"	"BAY-7598"	""	"Synthetic organic"	""	""	""	""	"518520600"	"118425786"	""	""	"CHEMBL4585243"	""	""	""	""	"(1S,2S,5R)-2-[4-[2-(oxan-4-yl)ethoxy]benzoyl]-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclopentane-1-carboxylic acid"	""	"BAY7598"	"C1C[C@@H]([C@H]([C@@H]1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)O)C(=O)C4=CC=C(C=C4)OCCC5CCOCC5"	"ZGBAPSHWPBXEKN-OPHFCASCSA-N"	"InChI=1S/C28H31N3O6/c32-26(19-5-8-21(9-6-19)37-16-13-18-11-14-36-15-12-18)23-10-7-20(25(23)28(34)35)17-31-27(33)22-3-1-2-4-24(22)29-30-31/h1-6,8-9,18,20,23,25H,7,10-17H2,(H,34,35)/t20-,23-,25-/m0/s1"	""	""	""
"10405"	"BAY-8002"	""	"Synthetic organic"	""	""	""	""	"384403683"	"992293"	""	""	""	""	""	""	""	"2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid"	""	"BAY8002"	"Clc1ccc(cc1C(=O)Nc1ccccc1C(=O)O)S(=O)(=O)c1ccccc1"	"CLAUJSRBKSRTGQ-UHFFFAOYSA-N"	"InChI=1S/C20H14ClNO5S/c21-17-11-10-14(28(26,27)13-6-2-1-3-7-13)12-16(17)19(23)22-18-9-5-4-8-15(18)20(24)25/h1-12H,(H,22,23)(H,24,25)"	""	""	""
"12479"	"BAY-805"	""	"Synthetic organic"	""	""	""	""	"479821269"	"167312463"	""	""	""	""	""	""	""	"N-[(1R)-1-[[5-[(4-Cyanophenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]-3-methyl-butyl]-1-(trifluoromethyl)cyclohexanecarboxamide"	""	"BAY805|compound 21 [PMID: 36802665]"	"CC(C)C[C@@H](NC(=O)C1(CCCCC1)C(F)(F)F)C(=O)NC2=NN=C(CC3=CC=C(C=C3)C#N)S2"	"LXRBPWHQMGKMRT-GOSISDBHSA-N"	"InChI=1S/C24H28F3N5O2S/c1-15(2)12-18(29-21(34)23(24(25,26)27)10-4-3-5-11-23)20(33)30-22-32-31-19(35-22)13-16-6-8-17(14-28)9-7-16/h6-9,15,18H,3-5,10-13H2,1-2H3,(H,29,34)(H,30,32,33)/t18-/m1/s1"	""	""	""
"11732"	"BAY-8400"	""	"Synthetic organic"	""	""	""	""	"458923767"	"162366965"	""	""	""	""	""	""	""	""	""	"BAY8400|compound 25 [PMID: 34428039]"	"FC(F)c1cncc(c1)c1ccc2ncc3nnc(C4=CCCOCC4)n3c2c1"	"ATKHYZXUMVNCIO-UHFFFAOYSA-N"	"InChI=1S/C21H17F2N5O/c22-20(23)16-8-15(10-24-11-16)14-3-4-17-18(9-14)28-19(12-25-17)26-27-21(28)13-2-1-6-29-7-5-13/h2-4,8-12,20H,1,5-7H2"	""	""	""
"13975"	"BAY-850"	""	"Synthetic organic"	""	""	""	""	"518520602"	"129196931"	""	""	"CHEMBL4536031"	""	""	""	""	"N-[(2R)-1-[(4-aminocyclohexyl)amino]-3-(4-cyanophenyl)propan-2-yl]-2-chloro-4-methoxy-5-[5-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]furan-2-yl]benzamide"	""	"BAY850"	"CC1=CC=C(C=C1)[C@@H](C)NCC2=CC=C(O2)C3=CC(=C(C=C3OC)Cl)C(=O)N[C@H](CC4=CC=C(C=C4)C#N)CNC5CCC(CC5)N"	"BSISGUIVBKDTQO-JLXKDNNHSA-N"	"InChI=1S/C38H44ClN5O3/c1-24-4-10-28(11-5-24)25(2)42-23-32-16-17-36(47-32)34-19-33(35(39)20-37(34)46-3)38(45)44-31(18-26-6-8-27(21-40)9-7-26)22-43-30-14-12-29(41)13-15-30/h4-11,16-17,19-20,25,29-31,42-43H,12-15,18,22-23,41H2,1-3H3,(H,44,45)/t25-,29?,30?,31-/m1/s1"	""	""	""
"11260"	"BAY86-7548"	""	"Peptide"	""	""	"yes"	"yes"	"434321695"	"0"	""	""	""	""	""	""	""	""	""	"[<sup>68</sup>Ga]D-Phe<sup>6</sup>, Stat<sup>13</sup>, Leu<sup>14</sup> Bn(6-14)|[<sup>68</sup>Ga]RM2|Ga-RM2"	""	""	""	""	""	""
"10183"	"BAY-885"	""	"Synthetic organic"	""	""	""	""	"381118893"	"134128280"	""	""	""	""	""	""	""	"[2-amino-4-(trifluoromethoxy)phenyl]-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone"	""	"BAY885|compound 41 [PMID: 30563338]"	"CN1CCN(CC1)c1cnc2c(c1)ncnc2C1CCN(CC1)C(=O)c1ccc(cc1N)OC(F)(F)F"	"QXURFIGBRGWPQD-UHFFFAOYSA-N"	"InChI=1S/C25H28F3N7O2/c1-33-8-10-34(11-9-33)17-12-21-23(30-14-17)22(32-15-31-21)16-4-6-35(7-5-16)24(36)19-3-2-18(13-20(19)29)37-25(26,27)28/h2-3,12-16H,4-11,29H2,1H3"	""	""	""
"13168"	"BAY-9835"	""	"Synthetic organic"	""	""	""	""	"491299950"	"170836223"	""	""	""	""	""	""	""	""	""	"BAY9835|compound 32 [PMID: 38348661]"	"CN1N=CC=C1[C@]2(CNC(=O)C3=CC=C(F)C(F)=C3C4=CC=C(C=C4)C(F)(F)F)NC(=O)NC2=O"	"LPQXZOJIUVOCAL-NRFANRHFSA-N"	"InChI=1S/C22H16F5N5O3/c1-32-15(8-9-29-32)21(19(34)30-20(35)31-21)10-28-18(33)13-6-7-14(23)17(24)16(13)11-2-4-12(5-3-11)22(25,26)27/h2-9H,10H2,1H3,(H,28,33)(H2,30,31,34,35)/t21-/m0/s1"	""	""	""
"10597"	"BAY-985"	""	"Synthetic organic"	""	""	""	""	"404859044"	"145925685"	""	""	""	""	""	""	""	""	""	"BAY985|compound 34 [PMID: 31859507]"	"O=C(N1CCN(CC1)[C@@H](c1ccnc(c1)Nc1nc2c([nH]1)cc(cc2)c1ncnc(c1)N(C)C)C)CC(F)(F)F"	"HZRJHVDNTDBTOZ-QGZVFWFLSA-N"	"InChI=1S/C27H30F3N9O/c1-17(38-8-10-39(11-9-38)25(40)15-27(28,29)30)18-6-7-31-23(13-18)36-26-34-20-5-4-19(12-22(20)35-26)21-14-24(37(2)3)33-16-32-21/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H2,31,34,35,36)/t17-/m1/s1"	"yes"	""	""
"6196"	"BayCysLT<sub>2</sub>"	""	"Synthetic organic"	""	""	""	""	"178102817"	"53394034"	""	""	""	""	""	""	""	"3-[(3-carboxycyclohexyl)carbamoyl]-4-{3-[4-(4-phenoxybutoxy)phenyl]propoxy}benzoic acid"	""	"CysLT2cpd"	"OC(=O)C1CCCC(C1)NC(=O)c1cc(ccc1OCCCc1ccc(cc1)OCCCCOc1ccccc1)C(=O)O"	"GKPAULTWHHPIHX-UHFFFAOYSA-N"	"InChI=1S/C34H39NO8/c36-32(35-27-10-6-9-25(22-27)33(37)38)30-23-26(34(39)40)15-18-31(30)43-21-7-8-24-13-16-29(17-14-24)42-20-5-4-19-41-28-11-2-1-3-12-28/h1-3,11-18,23,25,27H,4-10,19-22H2,(H,35,36)(H,37,38)(H,39,40)"	""	""	""
"2511"	"BAYK 8644"	""	"Synthetic organic"	""	""	""	""	"53801066"	"2303"	""	""	"CHEMBL1082832"	""	""	""	""	"methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate"	""	""	"COC(=O)C1=C(C)NC(=C(C1c1ccccc1C(F)(F)F)[N+](=O)[O-])C"	"ZFLWDHHVRRZMEI-UHFFFAOYSA-N"	"InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3"	""	""	""
"3381"	"BAYu9773"	""	"Synthetic organic"	""	""	""	""	"178100399"	"5311015"	""	""	"CHEMBL285954"	""	""	""	""	"4-{[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanyl}benzoic acid"	""	"BAY u9773|BAY-u 9773"	"CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)Sc1ccc(cc1)C(=O)O"	"PKJINWOACFYDQN-RBVMPENBSA-N"	"InChI=1S/C27H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(28)15-14-17-26(29)30)33-23-20-18-22(19-21-23)27(31)32/h6-7,9-13,16,18-21,24-25,28H,2-5,8,14-15,17H2,1H3,(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t24-,25+/m0/s1"	"yes"	""	""
"5148"	"BAY-X1005"	""	"Synthetic organic"	""	""	""	""	"178101840"	"123723"	""	""	"CHEMBL88712"	""	""	""	""	"(2R)-2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid"	""	"BAY X 1005|DG-031|veliflapon"	"OC(=O)[C@@H](c1ccc(cc1)OCc1ccc2c(n1)cccc2)C1CCCC1"	"ZEYYDOLCHFETHQ-JOCHJYFZSA-N"	"InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1"	""	""	""
"8571"	"BAZ2-ICR"	""	"Synthetic organic"	""	""	""	""	"252166772"	"91654625"	""	""	""	""	""	""	""	"4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzonitrile"	""	"inhibitor 13 [PMID: 25719566]"	"N#Cc1ccc(cc1)c1n(cnc1c1cnn(c1)C)CCc1cnn(c1)C"	"RRZVGDGTWNQAPW-UHFFFAOYSA-N"	"InChI=1S/C20H19N7/c1-25-12-16(10-23-25)7-8-27-14-22-19(18-11-24-26(2)13-18)20(27)17-5-3-15(9-21)4-6-17/h3-6,10-14H,7-8H2,1-2H3"	""	""	""
"7355"	"bazedoxifene"	""	"Synthetic organic"	"yes"	""	""	""	"178103927"	"154257"	""	""	"CHEMBL46740"	""	""	""	""	"1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol"	"bazedoxifene"	"Conbriza&reg;|TSE-424|Viviant&reg;|WAY-140424"	"Oc1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)OCCN1CCCCCC1)c1ccc(cc1)O"	"UCJGJABZCDBEDK-UHFFFAOYSA-N"	"InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3"	""	""	""
"13072"	"BB2-50F"	""	"Synthetic organic"	""	""	""	""	"491299854"	"135393470"	""	""	"CHEMBL4213248"	""	""	""	""	"3-amino-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-N-(diaminomethylidene)pyrazine-2-carboxamide"	""	""	"C1CCCN(CC1)C2=C(N=C(C(=N2)N)C(=O)N=C(N)N)C3=CC4=CC=CC=C4O3"	"FSPGYSVEHLETQR-UHFFFAOYSA-N"	"InChI=1S/C20H23N7O2/c21-17-16(19(28)26-20(22)23)24-15(14-11-12-7-3-4-8-13(12)29-14)18(25-17)27-9-5-1-2-6-10-27/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,21,25)(H4,22,23,26,28)"	""	""	"yes"
"14538"	"BB-83698"	""	"Synthetic organic"	""	""	""	""	"528429859"	"9849925"	""	""	"CHEMBL1614662"	""	""	""	""	"(2R)-N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(cyclopentylmethyl)-3-(formyl-hydroxyamino)propanamide"	""	"forazemin|FP530"	"CC(C)(C)[C@@H](C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)NC(=O)[C@H](CC4CCCC4)CN(C=O)O"	"IBEANEPZNLVRRY-RCZVLFRGSA-N"	"InChI=1S/C28H42N4O6/c1-28(2,3)25(29-26(34)22(17-32(36)18-33)14-20-6-4-5-7-20)27(35)31-12-10-30(11-13-31)16-21-8-9-23-24(15-21)38-19-37-23/h8-9,15,18,20,22,25,36H,4-7,10-14,16-17,19H2,1-3H3,(H,29,34)/t22-,25-/m1/s1"	""	""	"yes"
"13230"	"BBC0403"	""	"Synthetic organic"	""	""	""	""	"491300012"	"171037449"	""	""	""	""	""	""	""	"2-(3,5-dimethyl-4-(oxetan-3-yloxy)phenyl)-5,7-dimethoxyquinazolin-4(3H)-one"	""	"BBC-0403"	"CC=1C=C(C=C(C1OC2COC2)C)C3=NC4=CC(=CC(=C4C(N3)=O)OC)OC"	"AGBJJHZARZYKNH-UHFFFAOYSA-N"	"InChI=1S/C21H22N2O5/c1-11-5-13(6-12(2)19(11)28-15-9-27-10-15)20-22-16-7-14(25-3)8-17(26-4)18(16)21(24)23-20/h5-8,15H,9-10H2,1-4H3,(H,22,23,24)"	""	""	""
"895"	"BBL-454"	""	"Peptide"	""	""	""	""	"135652010"	"0"	""	""	""	""	""	""	""	""	""	"BBL 454|BBL454"	""	""	""	""	""	""
"13703"	"BBO-10203"	""	"Synthetic organic"	""	""	""	""	"507750337"	"169134691"	""	""	""	""	""	""	""	"1-[(4R)-2-[7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-4-(1-methylindazol-5-yl)thieno[3,2-c]pyridin-6-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one"	""	"compound 508 [WO2023154282A1]"	"O=C(C=C)N1[C@H](C)C2=CC(C3=C(C4=C(F)C=C(F)C=C4OCCOC)C=5SC=CC5C(C6=CC=C7N(C)N=CC7=C6)=N3)=NN2CC1"	"CHKHXOHYIIZDNQ-LJQANCHMSA-N"	"InChI=1S/C34H30F2N6O3S/c1-5-29(43)41-9-10-42-27(19(41)2)17-25(39-42)33-31(30-24(36)15-22(35)16-28(30)45-12-11-44-4)34-23(8-13-46-34)32(38-33)20-6-7-26-21(14-20)18-37-40(26)3/h5-8,13-19H,1,9-12H2,2-4H3/t19-/m1/s1"	""	""	""
"6559"	"BC11-38"	""	"Synthetic organic"	""	""	""	""	"178103173"	"2052828"	""	""	""	""	""	""	""	"3-phenyl-2-(propylsulfanyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one"	""	""	"CCCSc1nc2CCSc2c(=O)n1c1ccccc1"	"YHNDCCKFNWDQGW-UHFFFAOYSA-N"	"InChI=1S/C15H16N2OS2/c1-2-9-20-15-16-12-8-10-19-13(12)14(18)17(15)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3"	""	""	""
"12671"	"BC-1215"	""	"Synthetic organic"	""	""	""	""	"483123219"	"72201045"	""	""	"CHEMBL4549895"	""	""	""	""	"N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine"	""	"BC 1215|BC1215"	"C1=CC=NC(=C1)C2=CC=C(C=C2)CNCCNCC3=CC=C(C=C3)C4=CC=CC=N4"	"IXEPQJQQSLMESJ-UHFFFAOYSA-N"	"InChI=1S/C26H26N4/c1-3-15-29-25(5-1)23-11-7-21(8-12-23)19-27-17-18-28-20-22-9-13-24(14-10-22)26-6-2-4-16-30-26/h1-16,27-28H,17-20H2"	"yes"	""	""
"896"	"BC-254"	""	"Peptide"	""	""	""	""	"135652011"	"0"	""	""	""	""	""	""	""	""	""	"BC 254|BC254"	""	""	""	""	""	""
"897"	"BC-264"	""	"Peptide"	""	""	""	""	"135652012"	"5311016"	""	""	""	""	""	""	""	"(3S)-3-[[(2S)-2-[[(2S)-2-[(3-amino-3-oxopropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]-methylamino]hexanoyl]amino]-4-[[(2S)-1-[[(1S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]pentyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid"	""	"BC 264|BC264"	"CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)OS(=O)(=O)O)NC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CC(=O)N)C)CCCC)CC(=O)O)Cc1ccccc1"	"LEXXPLMUWFLNAN-OZUMUDGSSA-N"	"InChI=1S/C53H71N9O15S/c1-7-9-20-42(62(6)51(71)41(56-45(64)30-43(54)63)28-34-31-55-37-19-15-14-18-36(34)37)50(70)58-40(29-46(65)66)47(67)57-38(26-32-16-12-11-13-17-32)48(68)60-44(21-10-8-2)61-49(69)39(59-52(72)76-53(3,4)5)27-33-22-24-35(25-23-33)77-78(73,74)75/h11-19,22-25,31,38-42,44,55H,7-10,20-21,26-30H2,1-6H3,(H2,54,63)(H,56,64)(H,57,67)(H,58,70)(H,59,72)(H,60,68)(H,61,69)(H,65,66)(H,73,74,75)/t38-,39-,40-,41-,42-,44-/m0/s1"	""	""	""
"10998"	"BC-3205"	""	"Synthetic organic"	""	""	""	""	"405560439"	"44205184"	""	""	""	""	""	""	""	""	""	""	"C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCCN(C2)C(=O)[C@@H](C(C)C)N)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3"	"AFYOQRIZFPJUAR-UBTCORFISA-N"	"InChI=1S/C32H52N2O5S/c1-8-30(6)16-24(31(7)20(4)11-13-32(21(5)28(30)37)14-12-23(35)27(31)32)39-25(36)18-40-22-10-9-15-34(17-22)29(38)26(33)19(2)3/h8,19-22,24,26-28,37H,1,9-18,33H2,2-7H3/t20-,21+,22?,24-,26-,27+,28+,30-,31+,32+/m1/s1"	""	""	"yes"
"14023"	"BC5"	""	"Synthetic organic"	""	""	""	""	"518520650"	"176516516"	""	""	""	""	""	""	""	"[amino({4-azaniumyl-4-[(4-methoxynaphthalen-2-yl)carbamoyl]butyl}amino)methylidene]azanium"	""	""	"COC1=C2C=CC=CC2=CC(NC(=O)C([NH3+])CCCNC(N)=[NH2+])=C1"	"XVHWVDFGKDNOBO-UHFFFAOYSA-P"	"InChI=1S/C17H23N5O2/c1-24-15-10-12(9-11-5-2-3-6-13(11)15)22-16(23)14(18)7-4-8-21-17(19)20/h2-3,5-6,9-10,14H,4,7-8,18H2,1H3,(H,22,23)(H4,19,20,21)/p+2"	""	""	""
"11034"	"BC-7013"	""	"Synthetic organic"	""	""	""	""	"405560475"	"146171000"	""	""	""	""	""	""	""	""	""	"BC7013"	"C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccc(cc2)CO)[C@]2(C)C(C)CC[C@]3([C@H]([C@@H]1O)C)C2C(=O)CC3"	"NOQBAJLIGCZEQP-CREOWZIVSA-N"	"InChI=1S/C29H40O5S/c1-6-27(4)15-23(34-24(32)17-35-21-9-7-20(16-30)8-10-21)28(5)18(2)11-13-29(19(3)26(27)33)14-12-22(31)25(28)29/h6-10,18-19,23,25-26,30,33H,1,11-17H2,2-5H3/t18?,19-,23+,25?,26-,27+,28-,29-/m0/s1"	""	""	"yes"
"4700"	"BCH"	""	"Synthetic organic"	""	""	""	""	"178101412"	"115288"	""	""	"CHEMBL2074957"	""	""	""	""	"2-aminobicyclo[2.2.1]heptane-2-carboxylic acid"	""	""	"OC(=O)C1(N)CC2CC1CC2"	"MPUVBVXDFRDIPT-UHFFFAOYSA-N"	"InChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)"	""	""	""
"10614"	"BCH070"	""	"Synthetic organic"	""	""	""	""	"404859061"	"1643392"	""	""	""	""	""	""	""	"2-(4-chlorophenyl)-N-[4-(phenoxy)phenyl]quinazolin-4-amine"	""	""	"Clc1ccc(cc1)c1nc(Nc2ccc(cc2)Oc2ccccc2)c2c(n1)cccc2"	"VKLMWXASUNVKHV-UHFFFAOYSA-N"	"InChI=1S/C26H18ClN3O/c27-19-12-10-18(11-13-19)25-29-24-9-5-4-8-23(24)26(30-25)28-20-14-16-22(17-15-20)31-21-6-2-1-3-7-21/h1-17H,(H,28,29,30)"	""	"yes"	""
"2615"	"Bc-III"	""	"Peptide"	""	""	""	""	"135652013"	"0"	"Q7M425"	""	""	""	""	""	""	""	""	"major neurotoxin BcIII"	""	""	""	""	""	""
"12672"	"BCL3 inhibitor JS6"	""	"Synthetic organic"	""	""	""	""	"483123220"	"24824960"	""	""	"CHEMBL4558803"	""	""	""	""	"2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide"	""	"compound 1a [WO2015014972]"	"FC1=C(C(=O)NC2=C(C=CC=C2)C(NCCN3CCOCC3)=O)C=CC=C1"	"QEEPXSHOUBCRGQ-UHFFFAOYSA-N"	"InChI=1S/C20H22FN3O3/c21-17-7-3-1-5-15(17)20(26)23-18-8-4-2-6-16(18)19(25)22-9-10-24-11-13-27-14-12-24/h1-8H,9-14H2,(H,22,25)(H,23,26)"	""	""	""
"11778"	"BCL6 PROTAC 15"	""	"Synthetic organic"	""	""	""	""	"458923813"	"162366969"	""	""	""	""	""	""	""	""	""	"compound 15 [PMID: 30335946]"	"CN1C(=O)CCc2c1c1cc(Nc3nc(ncc3Cl)N3CCN(C[C@@H]3COCCO1)C(=O)CCC(=O)NCCCOCCOCCOc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c2"	"YQWUMLVLLIWGQJ-UYEDPJPISA-N"	"InChI=1S/C45H52ClN9O12/c1-52-37(58)10-6-27-22-28-23-34(40(27)52)67-21-19-65-26-29-25-53(13-14-54(29)45-48-24-31(46)41(49-28)51-45)38(59)11-9-35(56)47-12-3-15-63-16-17-64-18-20-66-33-5-2-4-30-39(33)44(62)55(43(30)61)32-7-8-36(57)50-42(32)60/h2,4-5,22-24,29,32H,3,6-21,25-26H2,1H3,(H,47,56)(H,48,49,51)(H,50,57,60)/t29-,32?/m1/s1"	""	""	""
"14240"	"BCL6 PROTAC A19"	""	"Synthetic organic"	""	""	""	""	"521588880"	"177746920"	""	""	""	""	""	""	""	"2-({6-[(5-chloro-2-{4-[4-({4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]piperazin-1-yl}methyl)piperidine-1-carbonyl]piperidin-1-yl}pyrimidin-4-yl)amino]-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl}oxy)-N-methylacetamide"	""	"compound A19 [PMID: 41025654]"	"CNC(=O)COC1=CC2=C(C=CC(NC3=C(Cl)C=NC(=N3)N4CCC(CC4)C(=O)N5CCC(CN6CCN(CC6)C7=CC8=C(C=C7)C(=O)N(C9CCC(=O)NC9=O)C8=O)CC5)=C2)N(C)C1=O"	"RRFYEMBJPUUYTL-UHFFFAOYSA-N"	"InChI=1S/C46H52ClN11O8/c1-48-39(60)26-66-37-22-29-21-30(3-6-35(29)53(2)45(37)65)50-40-34(47)24-49-46(52-40)57-15-11-28(12-16-57)42(62)56-13-9-27(10-14-56)25-54-17-19-55(20-18-54)31-4-5-32-33(23-31)44(64)58(43(32)63)36-7-8-38(59)51-41(36)61/h3-6,21-24,27-28,36H,7-20,25-26H2,1-2H3,(H,48,60)(H,49,50,52)(H,51,59,61)"	""	""	""
"5935"	"Bcr-abl inhibitor GNF-2"	""	"Synthetic organic"	""	""	""	""	"178102558"	"5311510"	""	""	"CHEMBL483847"	""	""	""	""	"3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide"	""	"GNF 2|GNF-2"	"NC(=O)c1cccc(c1)c1ncnc(c1)Nc1ccc(cc1)OC(F)(F)F"	"WEVYNIUIFUYDGI-UHFFFAOYSA-N"	"InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)"	""	""	""
"2460"	"BCTC"	""	"Synthetic organic"	""	""	""	""	"53801006"	"9929425"	""	""	"CHEMBL441472"	""	""	""	""	"N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide"	""	""	"O=C(N1CCN(CC1)c1ncccc1Cl)Nc1ccc(cc1)C(C)(C)C"	"ROGUAPYLUCHQGK-UHFFFAOYSA-N"	"InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)"	""	""	""
"12820"	"BCY15291"	""	"Peptide"	""	""	""	""	"483123368"	"168433311"	""	""	""	""	""	""	""	""	""	""	"[H]N[C@@H](C)C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N)CSCCC(N4CN(CN(C4)C(CCSC2)=O)C(CCSC1)=O)=O)CC5=CNC=N5)CCCNC(N)=N)CO[H])CO[H])CC6=CNC=N6)CO[H])CCCNC(N)=N)C(C)C"	"ARJMONOCBCNTHY-GWVTULHFSA-N"	"InChI=1S/C88H145N31O23S3/c1-11-47(8)69-85(141)106-56(30-51-32-96-40-100-51)76(132)112-61(80(136)101-49(10)70(90)126)36-143-24-18-65(123)116-41-117-43-118(42-116)67(125)20-26-145-38-63(111-71(127)48(9)89)82(138)114-68(46(6)7)84(140)103-52(15-12-21-97-87(91)92)72(128)108-58(33-120)78(134)105-55(29-50-31-95-39-99-50)75(131)113-62(37-144-25-19-66(117)124)81(137)110-60(35-122)79(135)109-59(34-121)77(133)104-54(27-44(2)3)74(130)107-57(28-45(4)5)86(142)119-23-14-17-64(119)83(139)102-53(73(129)115-69)16-13-22-98-88(93)94/h31-32,39-40,44-49,52-64,68-69,120-122H,11-30,33-38,41-43,89H2,1-10H3,(H2,90,126)(H,95,99)(H,96,100)(H,101,136)(H,102,139)(H,103,140)(H,104,133)(H,105,134)(H,106,141)(H,107,130)(H,108,128)(H,109,135)(H,110,137)(H,111,127)(H,112,132)(H,113,131)(H,114,138)(H,115,129)(H4,91,92,97)(H4,93,94,98)/t47-,48-,49-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,68-,69-/m0/s1"	""	""	""
"6680"	"BD-1047"	""	"Synthetic organic"	""	""	""	""	"178103292"	"188914"	""	""	"CHEMBL143360"	""	""	""	""	"N-[2-(3,4-dichlorophenyl)ethyl]-N,N',N'-trimethylethane-1,2-diamine"	""	"BD 1047|BD1047"	"CN(CCc1ccc(c(c1)Cl)Cl)CCN(C)C"	"MGVRNMUKTZOQOW-UHFFFAOYSA-N"	"InChI=1S/C13H20Cl2N2/c1-16(2)8-9-17(3)7-6-11-4-5-12(14)13(15)10-11/h4-5,10H,6-9H2,1-3H3"	""	""	""
"12125"	"BD-1063"	""	"Synthetic organic"	""	""	""	""	"472319247"	"574780"	""	""	"CHEMBL73824"	""	""	""	""	""	""	"BD1063"	"CN1CCN(CC1)CCc1cc(c(cc1)Cl)Cl"	"SUIZRDJCBVPASY-UHFFFAOYSA-N"	"InChI=1S/C13H18Cl2N2/c1-16-6-8-17(9-7-16)5-4-11-2-3-12(14)13(15)10-11/h2-3,10H,4-9H2,1H3"	""	""	""
"14443"	"BDM88855"	""	"Synthetic organic"	""	""	""	""	"528429764"	"153987774"	""	""	""	""	""	""	""	"3-chloro-2-piperazin-1-ylquinoline"	""	""	"C1CN(CCN1)C2=NC3=CC=CC=C3C=C2Cl"	"JJZVQFQJCHXCFQ-UHFFFAOYSA-N"	"InChI=1S/C13H14ClN3/c14-11-9-10-3-1-2-4-12(10)16-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2"	""	""	"yes"
"14444"	"BDM91288"	""	"Synthetic organic"	""	""	""	""	"528429765"	"166485295"	""	""	""	""	""	""	""	"3-chloro-2,6-di(piperazin-1-yl)quinoline"	""	""	"C1CN(CCN1)C2=CC3=CC(=C(N=C3C=C2)N4CCNCC4)Cl"	"WOZFYSNOHHYUAU-UHFFFAOYSA-N"	"InChI=1S/C17H22ClN5/c18-15-12-13-11-14(22-7-3-19-4-8-22)1-2-16(13)21-17(15)23-9-5-20-6-10-23/h1-2,11-12,19-20H,3-10H2"	""	""	"yes"
"4872"	"BDNF"	"Human"	"Peptide"	""	""	""	""	"178101573"	"0"	"P23560"	"ENSG00000176697"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11921"	"bebtelovimab"	""	"Antibody"	""	""	""	""	"461663476"	"0"	""	""	""	""	""	""	""	""	"bebtelovimab"	"LY-3853113|LY-CoV-1404|LY-CoV1404|LY3853113"	""	""	""	""	""	""
"7059"	"beclometasone"	""	"Synthetic organic"	"yes"	""	""	""	"178103638"	"20469"	""	""	"CHEMBL1586"	""	""	""	""	"(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"	"beclometasone"	"beclomethasone|SCH-18020W"	"OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl"	"NBMKJKDGKREAPL-DVTGEIKXSA-N"	"InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1"	"yes"	""	""
"5894"	"beclometasone dipropionate"	""	"Synthetic organic"	"yes"	""	""	""	"178102517"	"21700"	""	""	"CHEMBL1200500"	""	""	""	""	"[(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate"	""	"beclomethasone dipropionate|Beconase&reg;|Qnasl&reg;|Vancenase&reg;"	"CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl)C(=O)COC(=O)CC"	"KUVIULQEHSCUHY-XYWKZLDCSA-N"	"InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1"	"yes"	""	""
"13802"	"becondogrel"	""	"Synthetic organic"	""	""	""	""	"507750435"	"29986184"	""	""	""	""	""	""	""	"methyl (2S)-2-[(7aS)-2-oxo-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5-yl]-2-(2-chlorophenyl)acetate"	"becondogrel"	"(4S)-2-Oxoclopidogrel|compound IV-1  [EP3290423B1]|compound of formula I [US2022028976]"	"COC(=O)[C@H](C1=CC=CC=C1Cl)N2CC[C@H]3C(=CC(=O)S3)C2"	"JBSAZVIMJUOBNB-ZFWWWQNUSA-N"	"InChI=1S/C16H16ClNO3S/c1-21-16(20)15(11-4-2-3-5-12(11)17)18-7-6-13-10(9-18)8-14(19)22-13/h2-5,8,13,15H,6-7,9H2,1H3/t13-,15-/m0/s1"	""	""	""
"14392"	"becotatug vedotin"	""	"Antibody"	"yes"	""	""	""	"523352184"	"0"	""	""	""	""	""	""	""	""	"becotatug vedotin"	"MEIYOUHENG&reg; (China)|MRG-003|MRG003"	""	""	""	""	""	""
"8438"	"BED"	""	"Synthetic organic"	""	""	""	""	"252166648"	"91827361"	""	""	""	""	""	""	""	"5-amino-N-butyl-2-(4-ethoxyphenoxy)benzamide"	""	""	"CCCCNC(=O)c1cc(N)ccc1Oc1ccc(cc1)OCC"	"RDHPPQMUBJSJFR-UHFFFAOYSA-N"	"InChI=1S/C19H24N2O3/c1-3-5-12-21-19(22)17-13-14(20)6-11-18(17)24-16-9-7-15(8-10-16)23-4-2/h6-11,13H,3-5,12,20H2,1-2H3,(H,21,22)"	""	""	""
"11171"	"bedaquiline"	""	"Synthetic organic"	"yes"	""	""	""	"434122231"	"5388906"	""	""	"CHEMBL376488"	""	""	""	""	"(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol"	"bedaquiline"	"BDQ|compound 1a [PMID: 17496888]|R-207910|Sirturo&reg;|TMC-207|TMC207"	"COc1nc2ccc(cc2cc1[C@H]([C@](c1cccc2c1cccc2)(CCN(C)C)O)c1ccccc1)Br"	"QUIJNHUBAXPXFS-XLJNKUFUSA-N"	"InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1"	""	""	"yes"
"10764"	"bederocin"	""	"Synthetic organic"	""	""	""	""	"405560205"	"9868368"	""	""	"CHEMBL1631216"	""	""	""	""	""	"bederocin"	"REP-8839|REP8839"	"FC(=C)c1sc(c(c1Br)C)CNCCCNc1cc(=O)c2c([nH]1)cccc2"	"BGJMKHPWCFXMOW-UHFFFAOYSA-N"	"InChI=1S/C20H21BrFN3OS/c1-12-17(27-20(13(2)22)19(12)21)11-23-8-5-9-24-18-10-16(26)14-6-3-4-7-15(14)25-18/h3-4,6-7,10,23H,2,5,8-9,11H2,1H3,(H2,24,25,26)"	""	""	"yes"
"5759"	"befetupitant"	""	"Synthetic organic"	""	""	""	""	"178102384"	"6450815"	""	""	"CHEMBL204694"	""	""	""	""	"2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-morpholin-4-ylpyridin-3-yl]propanamide"	"befetupitant"	"Ro 67-5930|Ro-675930"	"O=C(C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)C)N(c1cnc(cc1c1ccccc1C)N1CCOCC1)C"	"ZGNPLCMMVKCTHM-UHFFFAOYSA-N"	"InChI=1S/C29H29F6N3O2/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-40-12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3"	""	""	""
"6637"	"befloxatone"	""	"Synthetic organic"	""	""	""	""	"178103250"	"60824"	""	""	"CHEMBL416578"	""	""	""	""	"(5R)-5-(methoxymethyl)-3-[4-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one"	"befloxatone"	"MD370503"	"COC[C@H]1CN(C(=O)O1)c1ccc(cc1)OCC[C@H](C(F)(F)F)O"	"IALVDLPLCLFBCF-CHWSQXEVSA-N"	"InChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m1/s1"	""	""	""
"12951"	"befotertinib"	""	"Synthetic organic"	"yes"	""	""	""	"485206072"	"130412842"	""	""	"CHEMBL5095167"	""	""	""	""	"N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide"	"befotertinib"	"compound 4 [WO2019218987A1]|D-0316|D0316|Surmana&reg;"	"CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)CC(F)(F)F)OC"	"USOCZVZOXKTJTI-UHFFFAOYSA-N"	"InChI=1S/C29H32F3N7O2/c1-6-27(40)34-22-15-23(26(41-5)16-25(22)38(4)14-13-37(2)3)36-28-33-12-11-21(35-28)20-17-39(18-29(30,31)32)24-10-8-7-9-19(20)24/h6-12,15-17H,1,13-14,18H2,2-5H3,(H,34,40)(H,33,35,36)"	""	""	""
"6979"	"begacestat"	""	"Synthetic organic"	""	""	""	""	"178103558"	"11269353"	""	""	"CHEMBL463981"	""	""	""	""	"5-chloro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide"	"begacestat"	"GSI-953"	"OC[C@H](C(C(F)(F)F)C(F)(F)F)NS(=O)(=O)c1ccc(s1)Cl"	"PSXOKXJMVRSARX-SCSAIBSYSA-N"	"InChI=1S/C9H8ClF6NO3S2/c10-5-1-2-6(21-5)22(19,20)17-4(3-18)7(8(11,12)13)9(14,15)16/h1-2,4,7,17-18H,3H2/t4-/m1/s1"	""	""	""
"8691"	"begelomab"	""	"Antibody"	""	""	""	""	"252166891"	"0"	""	""	""	""	""	""	""	""	"begelomab"	"Begendina&rg; (proprietary name)|BT 5/9|SAND 26"	""	""	""	"yes"	""	""
"12863"	"beinaglutide"	""	"Peptide"	"yes"	""	""	""	"485205984"	"0"	""	""	""	""	""	""	""	""	""	"Feisumei&reg;"	""	""	""	""	""	""
"12182"	"bekanamycin"	""	"Natural product"	"yes"	""	""	""	"472319304"	"439318"	""	""	"CHEMBL176"	""	""	""	""	"(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4-diol"	"bekanamycin"	"kanamycin B|nebramycin V"	"C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)N)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN)O)O)N)N"	"SKKLOUVUUNMCJE-FQSMHNGLSA-N"	"InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1"	""	""	"yes"
"2610"	"BeKm-1"	""	"Peptide"	""	""	""	""	"135652014"	"0"	"Q9BKB7"	""	""	""	""	""	""	""	""	"neurotoxin BeKm-1|potassium channel toxin &gamma;-KTx 2.1"	""	""	""	""	""	""
"11117"	"belantamab mafodotin"	""	"Antibody"	"yes"	"yes"	""	""	"434122177"	"0"	""	""	""	""	""	""	""	""	"belantamab mafodotin"	"belamaf|belantamab mafodotin-blmf|Blenrep&reg;|GSK-2857916|GSK2857916"	""	""	""	"yes"	""	""
"6892"	"belatacept"	""	"Peptide"	"yes"	""	""	""	"178103474"	"0"	""	""	"CHEMBL1742990"	""	""	""	""	""	"belatacept"	"BMS-224818|LEA29Y|Nulojix&reg;"	""	""	""	"yes"	""	""
"6887"	"belimumab"	""	"Antibody"	"yes"	""	""	""	"178103469"	"0"	""	""	""	""	""	""	""	""	"belimumab"	"Benlysta&reg;|hBlySmAb-1.1|LimphoStat-B|lymphostat-B"	""	""	""	"yes"	""	""
"7496"	"belinostat"	""	"Synthetic organic"	"yes"	""	""	""	"187051798"	"6918638"	""	""	"CHEMBL408513"	""	""	""	""	"(E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide"	"belinostat"	"Beleodaq&reg;|PXD-101|PXD101"	"ONC(=O)/C=C/c1cccc(c1)S(=O)(=O)Nc1ccccc1"	"NCNRHFGMJRPRSK-MDZDMXLPSA-N"	"InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+"	""	""	""
"10474"	"belizatinib"	""	"Synthetic organic"	""	""	""	""	"385612233"	"57345941"	""	""	"CHEMBL2172308"	""	""	""	""	"4-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide"	"belizatinib"	"compound 36 [PMID: 22734674]|TSR-011|TSR011"	"CC(NC(=O)C1CCC(CC1)n1c(NC(=O)c2ccc(cc2)F)nc2c1cc(cc2)CN1CCC(CC1)C(O)(C)C)C"	"WSTUJEXAPHIEIM-UHFFFAOYSA-N"	"InChI=1S/C33H44FN5O3/c1-21(2)35-30(40)24-8-12-27(13-9-24)39-29-19-22(20-38-17-15-25(16-18-38)33(3,4)42)5-14-28(29)36-32(39)37-31(41)23-6-10-26(34)11-7-23/h5-7,10-11,14,19,21,24-25,27,42H,8-9,12-13,15-18,20H2,1-4H3,(H,35,40)(H,36,37,41)"	""	""	""
"9035"	"belnacasan"	""	"Synthetic organic"	""	""	""	""	"315661120"	"11398092"	""	""	""	""	""	""	""	"(2S)-1-[(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide"	""	"HMR3480|VX-765"	"CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)c1ccc(c(c1)Cl)N"	"SJDDOCKBXFJEJB-MOKWFATOSA-N"	"InChI=1S/C24H33ClN4O6/c1-5-34-23-16(12-18(30)35-23)27-21(32)17-7-6-10-29(17)22(33)19(24(2,3)4)28-20(31)13-8-9-15(26)14(25)11-13/h8-9,11,16-17,19,23H,5-7,10,12,26H2,1-4H3,(H,27,32)(H,28,31)/t16-,17-,19+,23+/m0/s1"	"yes"	""	""
"8445"	"beloranib"	""	"Synthetic organic"	""	""	""	""	"252166655"	"6918502"	""	""	""	""	""	""	""	"[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[4-(2-dimethylaminoethoxy)phenyl]prop-2-enoate"	"beloranib"	"CKD-732|O-(4-(2-Dimethylaminoethoxy)-trans-cinnamoyl)fumagillol|ZGN 440|ZGN-440"	"CO[C@@H]1[C@@H](CC[C@@]2([C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)CO2)OC(=O)/C=C/c1ccc(cc1)OCCN(C)C"	"ZEZFKUBILQRZCK-MJSCXXSSSA-N"	"InChI=1S/C29H41NO6/c1-20(2)7-13-24-28(3,36-24)27-26(32-6)23(15-16-29(27)19-34-29)35-25(31)14-10-21-8-11-22(12-9-21)33-18-17-30(4)5/h7-12,14,23-24,26-27H,13,15-19H2,1-6H3/b14-10+/t23-,24-,26-,27-,28+,29+/m1/s1"	""	""	""
"9558"	"belumosudil"	""	"Synthetic organic"	"yes"	""	""	""	"336446944"	"11950170"	""	""	"CHEMBL2005186"	""	""	""	""	"2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide"	""	"KD-025|KD025|Rezurock&reg;|SLx 2119|SLx2119"	"CC(NC(=O)COc1cccc(c1)c1nc(Nc2ccc3c(c2)cn[nH]3)c2c(n1)cccc2)C"	"GKHIVNAUVKXIIY-UHFFFAOYSA-N"	"InChI=1S/C26H24N6O2/c1-16(2)28-24(33)15-34-20-7-5-6-17(13-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(12-19)14-27-32-22/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31)"	"yes"	""	""
"11544"	"belvarafenib"	""	"Synthetic organic"	""	""	""	""	"441604916"	"89655386"	""	""	"CHEMBL3977543"	""	""	""	""	"4-amino-N-[1-(3-chloro-2-fluoroanilino)-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide"	"belvarafenib"	"Example 116 [WO2013100632A1]|GDC-5573|HM95573|RG6185"	"Cc1ccc2c(c1NC(=O)c1csc3c1ncnc3N)ccnc2Nc1cccc(c1F)Cl"	"KVCQTKNUUQOELD-UHFFFAOYSA-N"	"InChI=1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)"	""	""	""
"11251"	"belzutifan"	""	"Synthetic organic"	"yes"	""	""	""	"434122311"	"117947097"	""	""	""	""	""	""	""	""	"belzutifan"	"compound 2 [PMID: 31282155]|MK-6482|MK6482|PT2977|Welireg&reg;"	"N#Cc1cc(cc(c1)F)Oc1ccc(c2c1[C@@H](F)[C@H]([C@H]2O)F)S(=O)(=O)C"	"LOMMPXLFBTZENJ-ZACQAIPSSA-N"	"InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1"	""	""	""
"11278"	"bemarituzumab"	""	"Antibody"	""	""	""	""	"434321713"	"0"	""	""	""	""	""	""	""	""	"bemarituzumab"	"FPA-144|FPA144"	""	""	""	""	""	""
"10478"	"bemcentinib"	""	"Synthetic organic"	""	""	""	""	"385612237"	"46215462"	""	""	"CHEMBL3809489"	""	""	""	""	""	"bemcentinib"	"BGB-324|BGB324|R-428|R428"	"Nc1nc(nn1c1nnc2c(c1)CCCc1c2cccc1)Nc1ccc2c(c1)CC[C@H](CC2)N1CCCC1"	"KXMZDGSRSGHMMK-VWLOTQADSA-N"	"InChI=1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36)/t25-/m0/s1"	""	""	""
"11295"	"bemnifosbuvir"	""	"Synthetic organic"	""	""	""	""	"434321730"	"122527275"	""	""	""	""	""	""	""	""	"bemnifosbuvir"	"AT-527|AT527|RO-7496998|RO7496998"	"C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)n1cnc2c(nc(nc12)N)NC)(C)F)O)Oc1ccccc1"	"OISLSHLAXHALQZ-LZEIJKKFSA-N"	"InChI=1S/C24H33FN7O7P/c1-13(2)37-21(34)14(3)31-40(35,39-15-9-7-6-8-10-15)36-11-16-18(33)24(4,25)22(38-16)32-12-28-17-19(27-5)29-23(26)30-20(17)32/h6-10,12-14,16,18,22,33H,11H2,1-5H3,(H,31,35)(H3,26,27,29,30)/t14-,16+,18+,22+,24+,40-/m0/s1"	""	""	""
"8321"	"bempedoic acid"	""	"Synthetic organic"	"yes"	""	""	""	"252166533"	"10472693"	""	""	"CHEMBL3545313"	""	""	""	""	"8-hydroxy-2,2,14,14-tetramethylpentadecanedioic acid"	"bempedoic acid"	"ESP-55016|ETC-1002|Nexletol&reg;|Nilemdo&reg;"	"OC(CCCCCC(C(=O)O)(C)C)CCCCCC(C(=O)O)(C)C"	"HYHMLYSLQUKXKP-UHFFFAOYSA-N"	"InChI=1S/C19H36O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h15,20H,5-14H2,1-4H3,(H,21,22)(H,23,24)"	""	""	""
"10659"	"bempegaldesleukin"	""	"Peptide"	""	""	""	""	"404859106"	"0"	""	""	""	""	""	""	""	""	"bempegaldesleukin"	"NKTR-214|NKTR214"	""	""	""	"yes"	""	""
"13725"	"bempikibart"	""	"Antibody"	""	""	""	""	"507750359"	"0"	""	""	""	""	""	""	""	""	"bempikibart"	"ADX-914|ADX914"	""	""	""	"yes"	""	""
"13893"	"BEN-28010"	""	"Synthetic organic"	""	""	""	""	"513757578"	"171101538"	""	""	""	""	""	""	""	"5-[[1-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile"	""	"BEN28010|clinical candidate 38 [PMID: 40273287]"	"CN(C)[C@@H]1CCN(C1)C2=CC=C(C=C2)N3C=NC(NC4=CN=C(C=N4)C#N)=C3"	"MSQDCBLMCCHPQS-GOSISDBHSA-N"	"InChI=1S/C20H22N8/c1-26(2)18-7-8-27(12-18)16-3-5-17(6-4-16)28-13-20(24-14-28)25-19-11-22-15(9-21)10-23-19/h3-6,10-11,13-14,18H,7-8,12H2,1-2H3,(H,23,25)/t18-/m1/s1"	""	""	""
"12793"	"benapenem"	""	"Synthetic organic"	""	""	""	""	"483123341"	"58326208"	""	""	"CHEMBL5095168"	""	""	""	""	"(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(4-sulfamoylphenyl)methylcarbamoyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	""	""	"C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N)C(=O)O)[C@@H](C)O"	"JNSMRGMLNPEWLR-PDCLSYJBSA-N"	"InChI=1S/C22H28N4O7S2/c1-10-17-16(11(2)27)21(29)26(17)18(22(30)31)19(10)34-13-7-15(24-9-13)20(28)25-8-12-3-5-14(6-4-12)35(23,32)33/h3-6,10-11,13,15-17,24,27H,7-9H2,1-2H3,(H,25,28)(H,30,31)(H2,23,32,33)/t10-,11-,13+,15+,16-,17-/m1/s1"	""	""	"yes"
"6374"	"benazepril"	""	"Synthetic organic"	"yes"	""	""	""	"178102992"	"5362124"	""	""	"CHEMBL838"	""	""	""	""	"2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid"	"benazepril"	"CGS-14824A|Lotensin&reg;"	"CCOC(=O)[C@@H](N[C@H]1CCc2c(N(C1=O)CC(=O)O)cccc2)CCc1ccccc1"	"XPCFTKFZXHTYIP-PMACEKPBSA-N"	"InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1"	""	""	""
"6375"	"benazeprilat"	""	"Synthetic organic"	"yes"	""	""	""	"178102993"	"5463984"	""	""	"CHEMBL1192519"	""	""	""	""	"(2S)-2-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenylbutanoic acid"	"benazeprilat"	"CGS-14831"	"OC(=O)CN1C(=O)[C@H](CCc2c1cccc2)N[C@H](C(=O)O)CCc1ccccc1"	"MADRIHWFJGRSBP-ROUUACIJSA-N"	"InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1"	""	""	""
"7478"	"bendamustine"	""	"Synthetic organic"	"yes"	""	""	""	"187051781"	"65628"	""	""	"CHEMBL487253"	""	""	""	""	"4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid"	"bendamustine"	"Levact&reg;|SDX-105|Treanda&reg;"	"ClCCN(c1ccc2c(c1)nc(n2C)CCCC(=O)O)CCCl"	"YTKUWDBFDASYHO-UHFFFAOYSA-N"	"InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)"	""	""	""
"7122"	"bendroflumethiazide"	""	"Synthetic organic"	"yes"	""	""	""	"178103699"	"2315"	""	""	"CHEMBL1684"	""	""	""	""	"3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide"	"bendroflumethiazide"	"Aprinox&reg;|Naturetin&reg;"	"O=S1(=O)NC(Cc2ccccc2)Nc2c1cc(c(c2)C(F)(F)F)S(=O)(=O)N"	"HDWIHXWEUNVBIY-UHFFFAOYSA-N"	"InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)"	""	""	""
"14184"	"benfluorex"	""	"Synthetic organic"	"yes"	"yes"	""	""	"518520811"	"2318"	""	""	"CHEMBL400599"	""	""	""	""	"2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl benzoate"	"benfluorex"	"benfluramate|Mediator&reg;"	"CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2"	"CJAVTWRYCDNHSM-UHFFFAOYSA-N"	"InChI=1S/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3"	""	""	""
"12469"	"bengalensol"	""	"Natural product"	""	""	""	""	"479821259"	"102129367"	""	""	""	""	""	""	""	""	""	""	"C[C@@]12CC(=O)C3=C([C@H]1CC[C@]45[C@H]2[C@@H]6C[C@H](C4)[C@@](C5)(O6)CO)CCO3"	"YANUZUAPWHSRRX-VFOQGZOASA-N"	"InChI=1S/C20H26O4/c1-18-8-14(22)16-12(3-5-23-16)13(18)2-4-19-7-11-6-15(17(18)19)24-20(11,9-19)10-21/h11,13,15,17,21H,2-10H2,1H3/t11-,13-,15+,17+,18-,19+,20+/m1/s1"	""	""	""
"10159"	"benidipine"	""	"Synthetic organic"	"yes"	""	""	""	"381118869"	"2324"	""	""	""	""	""	""	""	""	"benidipine"	"Coniel&reg;"	"COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC1CCCN(C1)Cc1ccccc1)C"	"QZVNQOLPLYWLHQ-UHFFFAOYSA-N"	"InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3"	""	""	""
"13790"	"benmelstobart"	""	"Antibody"	"yes"	""	""	""	"507750423"	"0"	""	""	""	""	""	""	""	""	"benmelstobart"	"Andervi&reg;|APL 502|APL502|TQB-2450|TQB2450"	""	""	""	""	""	""
"9215"	"benperidol"	""	"Synthetic organic"	"yes"	""	""	""	"315661291"	"16363"	""	""	"CHEMBL297302"	""	""	""	""	"3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one"	"benperidol"	"Anquil&reg;|MCN-JR-4584|R-4584"	"Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2"	"FEBOTPHFXYHVPL-UHFFFAOYSA-N"	"InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)"	""	""	""
"7674"	"benralizumab"	""	"Antibody"	"yes"	""	""	""	"223366009"	"0"	""	""	"CHEMBL1742991"	""	""	""	""	""	"benralizumab"	"BIW-8405|Fasenra&reg;|KHK4563|MEDI-563"	""	""	""	"yes"	""	""
"5150"	"benserazide"	""	"Synthetic organic"	"yes"	""	""	""	"178101842"	"2327"	""	""	"CHEMBL1096979"	""	""	""	""	"2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide"	"benserazide"	"Madopar&reg;|Ro 4-4602|serazide"	"OCC(C(=O)NNCc1ccc(c(c1O)O)O)N"	"BNQDCRGUHNALGH-UHFFFAOYSA-N"	"InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)"	""	""	""
"9926"	"bentamapimod"	""	"Synthetic organic"	""	""	""	""	"363894220"	"10195250"	""	""	"CHEMBL3545213"	""	""	""	""	""	"bentamapimod"	"AS-602801|AS602801|PGL-5001|PGL5001"	"N#CC(c1nc2c(s1)cccc2)c1ccnc(n1)OCc1ccc(cc1)CN1CCOCC1"	"XCPPIJCBCWUBNT-UHFFFAOYSA-N"	"InChI=1S/C25H23N5O2S/c26-15-20(24-28-22-3-1-2-4-23(22)33-24)21-9-10-27-25(29-21)32-17-19-7-5-18(6-8-19)16-30-11-13-31-14-12-30/h1-10,20H,11-14,16-17H2"	"yes"	""	""
"13675"	"bentracimab"	""	"Antibody"	""	""	""	""	"507750309"	"0"	""	""	""	""	""	""	""	""	"bentracimab"	"MEDI2452|PB2452"	""	""	""	""	""	""
"7566"	"benzamidine"	""	"Synthetic organic"	""	""	""	""	"223365902"	"2332"	""	""	"CHEMBL20936"	""	""	""	""	"Benzenecarboximidamide"	""	""	"NC(=N)c1ccccc1"	"PXXJHWLDUBFPOL-UHFFFAOYSA-N"	"InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)"	""	""	""
"4145"	"benzamil"	""	"Synthetic organic"	""	""	""	""	"178100966"	"108107"	""	""	"CHEMBL212579"	""	""	""	""	"3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide"	""	""	"NC(=NCc1ccccc1)NC(=O)c1nc(Cl)c(nc1N)N"	"KXDROGADUISDGY-UHFFFAOYSA-N"	"InChI=1S/C13H14ClN7O/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22)"	""	""	""
"7601"	"benzatropine"	""	"Synthetic organic"	"yes"	""	""	""	"223365936"	"1201549"	""	""	"CHEMBL1201203"	""	""	""	""	"(1R,5S)-3-[di(phenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane"	"benzatropine"	"benztropine|benztropine mesylate|Cogentin&reg;"	"CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1"	"GIJXKZJWITVLHI-PMOLBWCYSA-N"	"InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+"	""	""	""
"14007"	"benzbromarone"	""	"Synthetic organic"	""	""	""	""	"518520634"	"2333"	""	""	"CHEMBL388590"	""	""	""	""	"(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone"	""	"GsMTx-4"	"CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br"	"WHQCHUCQKNIQEC-UHFFFAOYSA-N"	"InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3"	""	""	""
"13477"	"benzgalantamine"	""	"Synthetic organic"	"yes"	""	""	""	"500839887"	"44240142"	""	""	"CHEMBL5095056"	""	""	""	""	""	"benzgalantamine"	"alpha-1062|galantamine benzoate|Gln-1062|memogain|Zunveyl&reg;"	"CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)OC(=O)C5=CC=CC=C5"	"JKVNJTYHRABHIY-WXVUKLJWSA-N"	"InChI=1S/C24H25NO4/c1-25-13-12-24-11-10-18(28-23(26)16-6-4-3-5-7-16)14-20(24)29-22-19(27-2)9-8-17(15-25)21(22)24/h3-11,18,20H,12-15H2,1-2H3/t18-,20-,24-/m0/s1"	""	""	""
"14098"	"benzimidazole 991"	""	"Synthetic organic"	""	""	""	""	"518520725"	"45256693"	""	""	"CHEMBL3393127"	""	""	""	""	"5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid"	""	""	"CC1=C(C=C(C=C1)OC2=NC3=C(N2)C=C(C(=C3)C4=CC5=C(C=C4)N(C=C5)C)Cl)C(=O)O"	"FHWSAZXFPUMKFL-UHFFFAOYSA-N"	"InChI=1S/C24H18ClN3O3/c1-13-3-5-16(10-17(13)23(29)30)31-24-26-20-11-18(19(25)12-21(20)27-24)14-4-6-22-15(9-14)7-8-28(22)2/h3-12H,1-2H3,(H,26,27)(H,29,30)"	""	""	""
"4565"	"benzoate"	""	"Natural product"	""	""	""	""	"178101286"	"242"	""	""	""	""	""	""	""	"benzoate"	""	"benzoic acid"	"[O-]C(=O)c1ccccc1"	"WPYMKLBDIGXBTP-UHFFFAOYSA-M"	"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1"	""	""	""
"9731"	"benzodrocortisone"	""	"Synthetic organic"	""	""	""	""	"354702207"	"119845"	""	""	""	""	""	""	""	"[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] benzoate"	"benzodrocortisone"	"compound 1 [WO2013071010]|hydrocortisone 17-benzoate"	"OCC(=O)[C@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)OC(=O)c1ccccc1"	"LPEYMYDYPGRLBU-YGZHYJPASA-N"	"InChI=1S/C28H34O6/c1-26-12-10-19(30)14-18(26)8-9-20-21-11-13-28(23(32)16-29,27(21,2)15-22(31)24(20)26)34-25(33)17-6-4-3-5-7-17/h3-7,14,20-22,24,29,31H,8-13,15-16H2,1-2H3/t20-,21-,22-,24+,26-,27-,28-/m0/s1"	"yes"	""	""
"6920"	"benzolamide"	""	"Synthetic organic"	""	""	""	""	"178103502"	"18794"	""	""	"CHEMBL73962"	""	""	""	""	"5-(phenylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide"	""	""	"O=S(=O)(c1ccccc1)Nc1nnc(s1)S(=O)(=O)N"	"PWDGTQXZLNDOKS-UHFFFAOYSA-N"	"InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)"	""	""	""
"7611"	"benzonatate"	""	"Synthetic organic"	"yes"	""	""	""	"223365946"	"7699"	""	""	"CHEMBL1374379"	""	""	""	""	"2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-butylaminobenzoate"	"benzonatate"	"Tessalon&reg;|Zonatuss&reg;"	"COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1ccc(cc1)NCCCC"	"MAFMQEKGGFWBAB-UHFFFAOYSA-N"	"InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3"	""	""	""
"8549"	"benzoquinazolinone 12"	""	"Synthetic organic"	""	""	""	""	"252166750"	"46196414"	""	""	""	""	""	""	""	"3-[(1S,2S)-2-hydroxycyclohexyl]-6-{[6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl]methyl}-3H,4H-benzo[h]quinazolin-4-one"	""	"compound A [PMID: 26582730]|compound C [PMID: 29025977]|T662"	"O[C@H]1CCCC[C@@H]1n1cnc2c(c1=O)cc(c1c2cccc1)Cc1ccc(nc1)c1cnn(c1)C"	"SXJQBWJPNSOKQV-UIOOFZCWSA-N"	"InChI=1S/C28H27N5O2/c1-32-16-20(15-31-32)24-11-10-18(14-29-24)12-19-13-23-27(22-7-3-2-6-21(19)22)30-17-33(28(23)35)25-8-4-5-9-26(25)34/h2-3,6-7,10-11,13-17,25-26,34H,4-5,8-9,12H2,1H3/t25-,26-/m0/s1"	""	""	""
"6307"	"benzoquinone"	""	"Synthetic organic"	""	""	""	""	"178102926"	"4650"	""	""	"CHEMBL8320"	""	""	""	""	"cyclohexa-2,5-diene-1,4-dione"	""	"p-benzoquinone|p-BQ"	"O=C1C=CC(=O)C=C1"	"AZQWKYJCGOJGHM-UHFFFAOYSA-N"	"InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H"	""	""	""
"13127"	"benzosceptrin C"	""	"Natural product"	""	""	""	""	"491299909"	"44598334"	""	""	"CHEMBL1097933"	""	""	""	""	""	""	"compound 6 [PMID: 20166736]"	"C1=C(NC(=C1Br)Br)C(=O)NC[C@@H]2[C@H](C3=C2C4=C(C5=C3N=C(N5)N)NC(=N4)N)CNC(=O)C6=CC(=C(N6)Br)Br"	"ISLJSGNSELMNBP-PHDIDXHHSA-N"	"InChI=1S/C22H18Br4N10O2/c23-7-1-9(31-17(7)25)19(37)29-3-5-6(4-30-20(38)10-2-8(24)18(26)32-10)12-11(5)13-15(35-21(27)33-13)16-14(12)34-22(28)36-16/h1-2,5-6,31-32H,3-4H2,(H,29,37)(H,30,38)(H3,27,33,35)(H3,28,34,36)/t5-,6-/m1/s1"	""	""	""
"14331"	"(+)-benzphetamine"	""	"Synthetic organic"	"yes"	""	""	""	"523352123"	"5311017"	""	""	"CHEMBL3545985"	""	""	""	""	"(2S)-N-benzyl-N-methyl-1-phenylpropan-2-amine"	""	"(S)-benzphetamine|Didrex&reg;|Regimex&reg;"	"C(C1=CC=CC=C1)N([C@H](CC2=CC=CC=C2)C)C"	"YXKTVDFXDRQTKV-HNNXBMFYSA-N"	"InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1"	""	""	""
"7124"	"benzquinamide"	""	"Synthetic organic"	"yes"	""	""	""	"178103701"	"2342"	""	""	"CHEMBL1201250"	""	""	""	""	"3-(diethylcarbamoyl)-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl acetate"	"benzquinamide"	"P-2647|Quantril&reg;"	"CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC"	"JSZILQVIPPROJI-UHFFFAOYSA-N"	"InChI=1S/C22H32N2O5/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25/h10-11,17-19H,6-9,12-13H2,1-5H3"	""	""	""
"7125"	"benzthiazide"	""	"Synthetic organic"	"yes"	""	""	""	"178103702"	"2343"	""	""	"CHEMBL1201039"	""	""	""	""	"3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide"	"benzthiazide"	"Aquatag&reg;|Fovane&reg;"	"Clc1cc2N=C(CSCc3ccccc3)NS(=O)(=O)c2cc1S(=O)(=O)N"	"NDTSRXAMMQDVSW-UHFFFAOYSA-N"	"InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)"	""	""	""
"6294"	"benzyl bromide"	""	"Synthetic organic"	""	""	""	""	"178102914"	"7498"	""	""	"CHEMBL1085946"	""	""	""	""	"bromomethylbenzene"	""	""	"BrCc1ccccc1"	"AGEZXYOZHKGVCM-UHFFFAOYSA-N"	"InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2"	""	""	""
"4501"	"benzylcysteine"	""	"Synthetic organic"	""	""	""	""	"178101229"	"193613"	""	""	"CHEMBL63130"	""	""	""	""	"(2R)-2-amino-3-(benzylsulfanyl)propanoic acid"	""	"S-benzyl-L-cysteine"	"N[C@H](C(=O)O)CSCc1ccccc1"	"GHBAYRBVXCRIHT-VIFPVBQESA-N"	"InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1"	""	""	""
"4500"	"benzylserine"	""	"Synthetic organic"	""	""	""	""	"178101228"	"78457"	""	""	""	""	""	""	""	"(2S)-2-amino-3-(benzyloxy)propanoic acid"	""	"O-benzyl-L-serine"	"N[C@H](C(=O)O)COCc1ccccc1"	"IDGQXGPQOGUGIX-VIFPVBQESA-N"	"InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1"	""	""	""
"6078"	"bepafant"	""	"Synthetic organic"	""	""	""	""	"178102699"	"65923"	""	""	"CHEMBL325439"	""	""	""	""	""	"bepafant"	"WEB-2170|WEB2170"	"O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1"	"FWYVRZOREBYLCY-UHFFFAOYSA-N"	"InChI=1S/C23H22ClN5O2S/c1-13-26-27-19-12-25-21(15-4-2-3-5-17(15)24)20-16-10-14(11-18(16)32-23(20)29(13)19)22(30)28-6-8-31-9-7-28/h2-5,14H,6-12H2,1H3"	""	""	""
"14707"	"bepirovirsen"	""	"Nucleic acid"	"yes"	""	""	""	""	""	""	""	""	""	""	""	""	""	"bepirovirsen"	"GSK-3228836|GSK-3228836B|GSK-3389404|GSK3389404|Hibsago&reg;|IONIS HBVRX|ISIS-505358|ISIS-GSK3RX"	""	""	""	""	""	""
"7466"	"bepotastine"	""	"Synthetic organic"	"yes"	""	""	""	"187051769"	"164522"	""	""	"CHEMBL1201758"	""	""	""	""	"4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid"	"bepotastine"	"Talion&reg;|TAU-284"	"OC(=O)CCCN1CCC(CC1)O[C@H](c1ccccn1)c1ccc(cc1)Cl"	"YWGDOWXRIALTES-NRFANRHFSA-N"	"InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m0/s1"	""	""	""
"2337"	"bepridil"	""	"Synthetic organic"	"yes"	""	""	""	"135649982"	"2351"	""	""	"CHEMBL1008"	""	""	""	""	"N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(phenylmethyl)aniline"	"bepridil"	"CERM-1978|Vascor&reg;"	"CC(COCC(N1CCCC1)CN(c1ccccc1)Cc1ccccc1)C"	"UIEATEWHFDRYRU-UHFFFAOYSA-N"	"InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3"	""	""	""
"1967"	"beraprost"	""	"Synthetic organic"	""	""	""	""	"135649983"	"5282428"	""	""	""	""	""	""	""	"4-{4-hydroxy-3-[(1E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-7-oxatricyclo[6.4.0.0^{2,6}]dodeca-1(12),8,10-trien-9-yl}butanoic acid"	"beraprost"	"MDL 201229|MDL-201229|ML 1229|ML-1229"	"CC#CCC(C(/C=C/C1C(O)CC2C1c1cccc(c1O2)CCCC(=O)O)O)C"	"CTPOHARTNNSRSR-OUKQBFOZSA-N"	"InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+"	""	""	""
"11353"	"berberine"	""	"Natural product"	""	""	""	""	"440816722"	"2353"	""	""	"CHEMBL295124"	""	""	""	""	""	""	"umbellatine"	"COc1c(OC)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OCO1"	"YBHILYKTIRIUTE-UHFFFAOYSA-N"	"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1"	""	""	"yes"
"12431"	"bergapten"	""	"Natural product"	""	""	""	""	"479821222"	"2355"	""	""	"CHEMBL24171"	""	""	""	""	"4-methoxyfuro[3,2-g]chromen-7-one"	""	"5-Methoxypsoralen|5-MOP|bergaptene|Heraclin|O-Methylbergaptol"	"COC1=C2C=CC(=O)OC2=CC3=C1C=CO3"	"BGEBZHIAGXMEMV-UHFFFAOYSA-N"	"InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3"	""	""	""
"8089"	"bermekimab"	""	"Antibody"	""	""	""	""	"249565769"	"0"	""	""	""	""	""	""	""	""	"bermekimab"	"MABp1|RA-18C3|Xilonix&reg; (proposed trade name)"	""	""	""	""	""	""
"14570"	"berobenatide"	""	"Peptide"	""	""	""	""	"530846818"	"0"	""	""	""	""	""	""	""	""	"berobenatide"	"MET-097|MET-097i|MET097|PF'3944|PF-08653944|PF08653944"	""	""	""	""	""	""
"11727"	"beroterkib"	""	"Synthetic organic"	""	""	""	""	"458923762"	"129053037"	""	""	""	""	""	""	""	""	"beroterkib"	"ASTX-029|ASTX029|compound 15 [PMID: 34387469]"	"COc1cc(F)cc(c1)[C@@H](CO)NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)c1nc(NC2CCOCC2)ncc1Cl"	"BVRGQPJKSKKGIH-PUAOIOHZSA-N"	"InChI=1S/C29H31ClFN5O5/c1-16(27(38)34-25(15-37)19-9-20(31)12-22(10-19)40-2)36-14-18-4-3-17(11-23(18)28(36)39)26-24(30)13-32-29(35-26)33-21-5-7-41-8-6-21/h3-4,9-13,16,21,25,37H,5-8,14-15H2,1-2H3,(H,34,38)(H,32,33,35)/t16-,25-/m1/s1"	""	""	""
"11347"	"berotralstat"	""	"Synthetic organic"	"yes"	""	""	""	"440816716"	"137528262"	""	""	""	""	""	""	""	"2-[3-(aminomethyl)phenyl]-N-[5-[(R)-(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide"	"berotralstat"	"BCX-7353|BCX7353|Orladeyo&reg;"	"NCc1cccc(c1)n1nc(cc1C(=O)Nc1cc(ccc1F)[C@@H](c1cccc(c1)C#N)NCC1CC1)C(F)(F)F"	"UXNXMBYCBRBRFD-MUUNZHRXSA-N"	"InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)/t28-/m1/s1"	""	""	""
"14536"	"berzanoflast"	""	"Synthetic organic"	""	""	""	""	"528429857"	"166456099"	""	""	""	""	""	""	""	"(2S)-3-[[4-[2-hydroxy-4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]propane-1,2-diol"	"berzanoflast"	"AZD-4144|AZD4144|compound 25 [PMID: 40631926]"	"C1=CC=C2C(=C1)C(=NN=C2NC[C@@H](CO)O)C3=C(C=C(C=C3)C(F)(F)F)O"	"CEGVLCNHZDUFIJ-NSHDSACASA-N"	"InChI=1S/C18H16F3N3O3/c19-18(20,21)10-5-6-14(15(27)7-10)16-12-3-1-2-4-13(12)17(24-23-16)22-8-11(26)9-25/h1-7,11,25-27H,8-9H2,(H,22,24)/t11-/m0/s1"	"yes"	""	""
"8003"	"berzosertib"	""	"Synthetic organic"	""	""	""	""	"249565683"	"59472121"	""	""	""	""	""	""	""	"3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine"	"berzosertib"	"M6620|VE 822|VE-822|VX-970|VX970"	"CNCc1ccc(cc1)c1noc(c1)c1nc(cnc1N)c1ccc(cc1)S(=O)(=O)C(C)C"	"JZCWLJDSIRUGIN-UHFFFAOYSA-N"	"InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)"	""	""	""
"12877"	"besifloxacin"	""	"Synthetic organic"	"yes"	""	""	""	"485205998"	"10178705"	""	""	"CHEMBL1201760"	""	""	""	""	"7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid"	"besifloxacin"	"Besivance&reg;|BOL-303224-A|ISV-403|SS734"	"C1CCN(C[C@@H](C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F"	"QFFGVLORLPOAEC-SNVBAGLBSA-N"	"InChI=1S/C19H21ClFN3O3/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23/h7,9-11H,1-6,8,22H2,(H,26,27)/t10-/m1/s1"	""	""	"yes"
"5151"	"bestatin"	""	"Synthetic organic"	""	""	""	""	"178101843"	"439299"	""	""	"CHEMBL476869"	""	""	""	""	"(2R)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido]-4-methylpentanoic acid"	"ubenimex"	"ubenimex"	"O[C@H](C(=O)N[C@@H](C(=O)O)CC(C)C)[C@@H](Cc1ccccc1)N"	"VGGGPCQERPFHOB-MCIONIFRSA-N"	"InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13-,14+/m1/s1"	""	""	""
"5377"	"bestrophin-3"	"Human"	"Peptide"	""	""	""	""	"178102036"	"0"	"Q8N1M1"	"ENSG00000127325"	""	""	""	""	""	""	""	"vitelliform macular dystrophy 2-like protein 3"	""	""	""	""	""	""
"9501"	"&beta;-Ala-Lys-AMCA"	""	"Peptide"	""	""	"yes"	""	"329968440"	"86289883"	""	""	""	""	""	""	""	"(2S)-6-[[2-(7-amino-4-methyl-2-oxochromen-3-yl)acetyl]amino]-2-(3-aminopropanoylamino)hexanoic acid"	""	"&beta;-alanyl-lysyl-N-7-amino-4-methylcoumarin-3-acetic acid|Beta-Ala-Lys-N(epsilon)-AMCA"	"NCCC(=O)N[C@H](C(=O)O)CCCCNC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)N"	"BXZFTTVQAOLWHY-INIZCTEOSA-N"	"InChI=1S/C21H28N4O6/c1-12-14-6-5-13(23)10-17(14)31-21(30)15(12)11-19(27)24-9-3-2-4-16(20(28)29)25-18(26)7-8-22/h5-6,10,16H,2-4,7-9,11,22-23H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t16-/m0/s1"	""	""	""
"2365"	"&beta;-alanine"	""	"Metabolite"	""	""	""	""	"135651448"	"239"	""	""	"CHEMBL297569"	""	""	""	""	"3-Aminopropanoic acid"	""	""	"NCCC(=O)O"	"UCMIRNVEIXFBKS-UHFFFAOYSA-N"	"InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)"	""	""	""
"2112"	"[&beta;Ala<sup>8</sup>]neurokinin A-(4-10)"	""	"Peptide"	""	""	""	""	"135652015"	"0"	""	""	""	""	""	""	""	""	""	"[&beta;Ala<sup>8</sup>]neurokinin A (4-10)"	""	""	""	""	""	""
"8222"	"beta-carboline"	""	"Synthetic organic"	""	""	""	""	"249565902"	"64961"	""	""	"CHEMBL275224"	""	""	""	""	"9H-Pyrido[3,4-B]indole"	""	"carbazoline|norharmane"	"c1ccc2c(c1)[nH]c1c2ccnc1"	"AIFRHYZBTHREPW-UHFFFAOYSA-N"	"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H"	""	""	""
"5371"	"&beta;-catenin"	"Human"	"Peptide"	""	""	""	""	"178102030"	"0"	"P35222"	"ENSG00000168036"	""	""	""	""	""	""	""	"catenin beta-1"	""	""	""	""	""	""
"4873"	"betacellulin"	"Human"	"Peptide"	""	""	""	""	"178101574"	"0"	"P35070"	"ENSG00000174808"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"696"	"&beta;-CGRP"	"Rat"	"Peptide"	""	""	""	""	"135651626"	"0"	"P10093"	"ENSRNOG00000011074"	""	""	""	""	""	""	""	"&beta;CGRP|rat &beta;-calcitonin gene-related peptide"	""	""	""	""	""	""
"3588"	"&beta;-CGRP"	"Mouse"	"Peptide"	""	""	""	""	"135651628"	"0"	"Q99MP3"	"ENSMUSG00000030666"	""	""	""	""	""	""	""	"&beta;-calcitonin gene-related peptide|&beta;CGRP|calcitonin gene-related peptide 2"	""	""	""	""	""	""
"682"	"&beta;-CGRP"	"Human"	"Peptide"	""	""	""	""	"135651627"	"0"	"P10092"	"ENSG00000175868"	""	""	""	""	""	""	""	"&beta;-calcitonin gene-related peptide|&beta;CGRP|calcitonin gene-related peptide 2"	""	""	""	""	""	""
"8859"	"&beta;-Cyano-L-alanine"	""	"Synthetic organic"	""	""	""	""	"252827516"	"439742"	""	""	""	""	""	""	""	"(2S)-2-amino-3-cyanopropanoic acid"	""	"3-Cyano-L-alanine|L-beta-Cyanoalanine"	"N[C@H](C(=O)O)CC#N"	"BXRLWGXPSRYJDZ-VKHMYHEASA-N"	"InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1"	""	""	""
"3648"	"beta-defensin 4A"	"Human"	"Peptide"	""	""	""	""	"178100546"	"0"	"O15263"	"ENSG00000171711"	""	""	""	""	""	""	""	"beta-defensin 2|HBD2|skin-antimicrobial peptide 1 (SAP1)"	""	""	""	""	""	"yes"
"1593"	"&beta;-D-hydroxybutyric acid"	""	"Metabolite"	""	""	""	""	"135649984"	"92135"	""	""	"CHEMBL1162484"	""	""	""	""	"(3R)-3-hydroxybutanoic acid"	""	"(<i>R</i>)-3-hydroxybutanoate|3-HB|3-hydroxybutyrate"	"C[C@H](CC(=O)O)O"	"WHBMMWSBFZVSSR-GSVOUGTGSA-N"	"InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1"	""	""	""
"10735"	"&beta;-D-N<sup>4</sup>-hydroxycytidine"	""	"Synthetic organic"	""	""	""	""	"405067328"	"197020"	""	""	"CHEMBL2178720"	""	""	""	""	"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one"	""	"EIDD-1931|NHC"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)NO"	"XCUAIINAJCDIPM-XVFCMESISA-N"	"InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1"	""	""	""
"3722"	"&beta;-endorphin"	"Mouse"	"Peptide"	""	""	""	""	"135651629"	"45052479"	"P01193"	"ENSMUSG00000020660"	""	""	""	""	""	""	""	"&beta;-end"	"CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)CC"	"HQALISCIMNBRAE-XJTHNYJFSA-N"	"InChI=1S/C155H250N42O44S/c1-17-82(9)123(150(235)182-99(44-29-34-61-160)134(219)186-109(70-116(164)206)139(224)171-84(11)128(213)183-108(69-92-72-166-78-170-92)144(229)178-96(41-26-31-58-157)132(217)175-95(40-25-30-57-156)131(216)169-75-120(210)173-103(155(240)241)51-54-115(163)205)193-151(236)124(83(10)18-2)192-129(214)85(12)172-140(225)110(71-117(165)207)185-133(218)97(42-27-32-59-158)177-143(228)107(68-90-38-23-20-24-39-90)184-141(226)104(64-79(3)4)188-152(237)126(87(14)201)195-149(234)122(81(7)8)191-145(230)105(65-80(5)6)187-148(233)113-45-35-62-197(113)154(239)127(88(15)202)196-137(222)100(50-53-114(162)204)179-146(231)111(76-198)189-135(220)98(43-28-33-60-159)176-136(221)101(52-55-121(211)212)180-147(232)112(77-199)190-153(238)125(86(13)200)194-138(223)102(56-63-242-16)181-142(227)106(67-89-36-21-19-22-37-89)174-119(209)74-167-118(208)73-168-130(215)94(161)66-91-46-48-93(203)49-47-91/h19-24,36-39,46-49,72,78-88,94-113,122-127,198-203H,17-18,25-35,40-45,50-71,73-77,156-161H2,1-16H3,(H2,162,204)(H2,163,205)(H2,164,206)(H2,165,207)(H,166,170)(H,167,208)(H,168,215)(H,169,216)(H,171,224)(H,172,225)(H,173,210)(H,174,209)(H,175,217)(H,176,221)(H,177,228)(H,178,229)(H,179,231)(H,180,232)(H,181,227)(H,182,235)(H,183,213)(H,184,226)(H,185,218)(H,186,219)(H,187,233)(H,188,237)(H,189,220)(H,190,238)(H,191,230)(H,192,214)(H,193,236)(H,194,223)(H,195,234)(H,196,222)(H,211,212)(H,240,241)/t82-,83-,84-,85-,86+,87+,88+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-,123-,124-,125-,126-,127-/m0/s1"	""	""	""
"3723"	"&beta;-endorphin"	"Rat"	"Peptide"	""	""	""	""	"135651631"	"71308750"	"P01194"	"ENSRNOG00000012686"	""	""	""	""	""	""	""	"&beta;-end"	"CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C)[C@@H](C)CC"	"KSZMZNRVPCEDEO-KFHPFRHLSA-N"	"InChI=1S/C157H254N42O44S/c1-18-84(11)125(152(237)183-100(45-30-35-62-162)135(220)186-111(72-118(167)209)146(231)192-123(82(7)8)150(235)189-109(70-93-73-168-79-172-93)144(229)179-97(42-27-32-59-159)133(218)176-96(41-26-31-58-158)132(217)171-76-121(212)174-104(157(242)243)52-55-116(165)207)195-153(238)126(85(12)19-2)194-130(215)86(13)173-140(225)110(71-117(166)208)185-134(219)98(43-28-33-60-160)178-143(228)108(69-91-39-24-21-25-40-91)184-141(226)105(65-80(3)4)188-154(239)128(88(15)203)197-151(236)124(83(9)10)193-145(230)106(66-81(5)6)187-149(234)114-46-36-63-199(114)156(241)129(89(16)204)198-138(223)101(51-54-115(164)206)180-147(232)112(77-200)190-136(221)99(44-29-34-61-161)177-137(222)102(53-56-122(213)214)181-148(233)113(78-201)191-155(240)127(87(14)202)196-139(224)103(57-64-244-17)182-142(227)107(68-90-37-22-20-23-38-90)175-120(211)75-169-119(210)74-170-131(216)95(163)67-92-47-49-94(205)50-48-92/h20-25,37-40,47-50,73,79-89,95-114,123-129,200-205H,18-19,26-36,41-46,51-72,74-78,158-163H2,1-17H3,(H2,164,206)(H2,165,207)(H2,166,208)(H2,167,209)(H,168,172)(H,169,210)(H,170,216)(H,171,217)(H,173,225)(H,174,212)(H,175,211)(H,176,218)(H,177,222)(H,178,228)(H,179,229)(H,180,232)(H,181,233)(H,182,227)(H,183,237)(H,184,226)(H,185,219)(H,186,220)(H,187,234)(H,188,239)(H,189,235)(H,190,221)(H,191,240)(H,192,231)(H,193,230)(H,194,215)(H,195,238)(H,196,224)(H,197,236)(H,198,223)(H,213,214)(H,242,243)/t84-,85-,86-,87+,88+,89+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,123-,124-,125-,126-,127-,128-,129-/m0/s1"	""	""	""
"1643"	"&beta;-endorphin"	"Human"	"Peptide"	""	""	""	""	"135651630"	"16132316"	"P01189"	"ENSG00000115138"	""	""	""	""	""	""	""	"&beta;-end"	"CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)CC"	"JMHFFDIMOUKDCZ-NTXHZHDSSA-N"	"InChI=1S/C158H251N39O46S/c1-17-84(9)126(153(237)182-102(44-29-34-65-163)137(221)186-112(74-118(166)206)142(226)171-86(11)131(215)183-110(73-94-48-52-96(204)53-49-94)146(230)177-99(41-26-31-62-160)135(219)175-98(40-25-30-61-159)134(218)170-78-122(210)173-106(158(242)243)56-59-124(213)214)193-154(238)127(85(10)18-2)192-132(216)87(12)172-143(227)113(75-119(167)207)185-136(220)100(42-27-32-63-161)178-147(231)111(72-92-38-23-20-24-39-92)184-144(228)107(68-81(3)4)188-155(239)129(89(14)201)195-152(236)125(83(7)8)191-148(232)108(69-82(5)6)187-151(235)116-45-35-66-197(116)157(241)130(90(15)202)196-140(224)103(54-57-117(165)205)179-149(233)114(79-198)189-138(222)101(43-28-33-64-162)176-139(223)104(55-58-123(211)212)180-150(234)115(80-199)190-156(240)128(88(13)200)194-141(225)105(60-67-244-16)181-145(229)109(71-91-36-21-19-22-37-91)174-121(209)77-168-120(208)76-169-133(217)97(164)70-93-46-50-95(203)51-47-93/h19-24,36-39,46-53,81-90,97-116,125-130,198-204H,17-18,25-35,40-45,54-80,159-164H2,1-16H3,(H2,165,205)(H2,166,206)(H2,167,207)(H,168,208)(H,169,217)(H,170,218)(H,171,226)(H,172,227)(H,173,210)(H,174,209)(H,175,219)(H,176,223)(H,177,230)(H,178,231)(H,179,233)(H,180,234)(H,181,229)(H,182,237)(H,183,215)(H,184,228)(H,185,220)(H,186,221)(H,187,235)(H,188,239)(H,189,222)(H,190,240)(H,191,232)(H,192,216)(H,193,238)(H,194,225)(H,195,236)(H,196,224)(H,211,212)(H,213,214)(H,242,243)/t84-,85-,86-,87-,88+,89+,90+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,125-,126-,127-,128-,129-,130-/m0/s1"	""	""	""
"988"	"beta-ergocriptine"	""	"Synthetic organic"	""	""	""	""	"135649985"	"161309"	""	""	""	""	""	""	""	"(4R,7R)-N-[(1S,2S,4R,7R)-7-[(2S)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide"	""	""	"CC[C@@H]([C@@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C"	"YYWXOXLDOMRDHW-SGVWFJRMSA-N"	"InChI=1S/C32H41N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,33,41H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18-,20+,24+,25-,27+,31+,32-/m0/s1"	""	""	""
"1631"	"&beta;-FNA"	""	"Synthetic organic"	""	""	""	""	"135649986"	"5311018"	""	""	"CHEMBL473136"	""	""	""	""	"methyl (2E)-3-{[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-14-yl]carbamoyl}prop-2-enoate"	""	"beta-funaltrexamine|naltrexone fumarate methyl ester"	"COC(=O)/C=C/C(=O)N[C@@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O"	"PQKHESYTSKMWFP-WZJCLRDWSA-N"	"InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1"	""	""	""
"12452"	"beta-gentiobiose"	""	"Natural product"	""	""	""	""	"479821242"	"441422"	""	""	"CHEMBL1360334"	""	""	""	""	"(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol"	""	"6-O-beta-D-glucopyranosyl-D-glucopyranose"	"C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O)O"	"DLRVVLDZNNYCBX-LIZSDCNHSA-N"	"InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1"	""	""	""
"5370"	"&beta;-haemoglobin"	"Human"	"Peptide"	""	""	""	""	"178102029"	"0"	"P68871"	"ENSG00000244734"	""	""	""	""	""	""	""	"hemoglobin beta chain|hemoglobin subunit beta"	""	""	""	""	""	""
"11937"	"betahistine"	""	"Synthetic organic"	"yes"	"yes"	""	""	"461663492"	"2366"	""	""	"CHEMBL24441"	""	""	""	""	""	"betahistine"	"OBE101|SERC&reg;|Vasomotal&reg;"	"CNCCc1ccccn1"	"UUQMNUMQCIQDMZ-UHFFFAOYSA-N"	"InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3"	""	""	""
"4550"	"betaine"	""	"Metabolite"	""	""	""	""	"178101271"	"247"	""	""	"CHEMBL1182"	""	""	""	""	"2-(trimethylazaniumyl)acetate"	"cloral betaine"	"glycine betaine|N,N,N-trimethylammonioacetate|trimethylglycine"	"[O-]C(=O)C[N+](C)(C)C"	"KWIUHFFTVRNATP-UHFFFAOYSA-N"	"InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3"	""	""	""
"4699"	"&beta;-L-hydroxybutyric acid"	""	"Metabolite"	""	""	""	""	"178101411"	"94318"	""	""	"CHEMBL1162497"	""	""	""	""	"(3S)-3-hydroxybutanoic acid"	""	"&beta;-L-hydroxybutyrate"	"C[C@@H](CC(=O)O)O"	"WHBMMWSBFZVSSR-VKHMYHEASA-N"	"InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1"	""	""	""
"7061"	"betamethasone"	""	"Metabolite"	"yes"	""	""	""	"178103640"	"9782"	""	""	"CHEMBL632"	""	""	""	""	"(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"	"betamethasone"	"SCH-4831"	"OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F"	"UREBDLICKHMUKA-DVTGEIKXSA-N"	"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1"	"yes"	""	""
"3606"	"&beta;-MSH"	"Human"	"Peptide"	""	""	""	""	"135651632"	"0"	"P01189"	"ENSG00000115138"	""	""	""	""	""	""	""	"&beta;-melanocyte stimulating hormone"	""	""	""	""	""	""
"3608"	"&beta;-MSH"	"Rat"	"Peptide"	""	""	""	""	"135651634"	"0"	"P01194"	"ENSRNOG00000012686"	""	""	""	""	""	""	""	"&beta;-melanocyte stimulating hormone"	""	""	""	""	""	""
"3607"	"&beta;-MSH"	"Mouse"	"Peptide"	""	""	""	""	"135651633"	"0"	"P01193"	"ENSMUSG00000020660"	""	""	""	""	""	""	""	"&beta;-melanocyte stimulating hormone"	""	""	""	""	""	""
"1644"	"&beta;-neoendorphin"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651635"	"122260"	"O35417|P01213|P06300"	"ENSG00000101327"	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O"	"RTXIYIQLESPXIV-VLOLPVCOSA-N"	"InChI=1S/C54H77N13O12/c1-32(2)26-41(65-51(76)42(28-33-10-4-3-5-11-33)62-46(71)31-60-45(70)30-61-47(72)38(56)27-34-15-19-36(68)20-16-34)50(75)64-40(13-8-24-59-54(57)58)48(73)63-39(12-6-7-23-55)49(74)66-43(29-35-17-21-37(69)22-18-35)52(77)67-25-9-14-44(67)53(78)79/h3-5,10-11,15-22,32,38-44,68-69H,6-9,12-14,23-31,55-56H2,1-2H3,(H,60,70)(H,61,72)(H,62,71)(H,63,73)(H,64,75)(H,65,76)(H,66,74)(H,78,79)(H4,57,58,59)/t38-,39-,40-,41-,42-,43-,44-/m0/s1"	""	""	""
"7618"	"betanidine"	""	"Synthetic organic"	"yes"	""	""	""	"223365953"	"2368"	""	""	"CHEMBL1201260"	""	""	""	""	"2,3-dimethyl-1-(phenylmethyl)guanidine"	"betanidine"	"bethanidine|BW-467-C-60|Tenathan&reg;"	"CNC(=NC)NCc1ccccc1"	"NIVZHWNOUVJHKV-UHFFFAOYSA-N"	"InChI=1S/C10H15N3/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,11,12,13)"	""	""	""
"13135"	"beta ph61"	""	"Synthetic organic"	""	""	""	""	"491299917"	"13553448"	""	""	"CHEMBL307448"	""	""	""	""	"(6E)-6-(iodomethylidene)-4-phenyloxan-2-one"	""	""	"O=C1CC(C2=CC=CC=C2)C/C(=C\I)/O1"	"HRGNBHXGMAPIMI-DHZHZOJOSA-N"	"InChI=1S/C12H11IO2/c13-8-11-6-10(7-12(14)15-11)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2/b11-8+"	""	""	""
"2144"	"&beta;-phenylethylamine"	""	"Metabolite"	""	""	""	""	"135652016"	"1001"	""	""	"CHEMBL610"	""	""	""	""	"2-phenylethanamine"	""	"&beta;-PEA|2-phenylethylamine|PEA|phenethylamine"	"NCCc1ccccc1"	"BHHGXPLMPWCGHP-UHFFFAOYSA-N"	"InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2"	""	""	""
"13237"	"&beta;-pinene"	""	"Natural product"	""	""	""	""	"491300019"	"14896"	""	""	"CHEMBL501351"	""	""	""	""	"6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane"	""	"beta-Pinene|terbenthene|terebenthene"	"CC1(C2CCC(=C)C1C2)C"	"WTARULDDTDQWMU-UHFFFAOYSA-N"	"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3"	""	""	""
"2632"	"&beta;-scorpion toxin Cn2"	""	"Peptide"	""	""	""	""	"135652017"	"0"	"P01495"	""	""	""	""	""	""	""	""	"&beta;-mammal toxin Cn2|Toxin 2|Toxin II.9.2.2"	""	""	""	""	""	""
"2620"	"&beta;-scorpion toxin Css IV"	""	"Peptide"	""	""	""	""	"135652018"	"0"	"P60266"	""	""	""	""	""	""	""	""	"&beta;-mammal toxin Css4|Css IV"	""	""	""	""	""	""
"2627"	"&beta;-scorpion toxin TiTX&gamma;"	""	"Peptide"	""	""	""	""	"135652019"	"0"	"P15226"	""	""	""	""	""	""	""	""	"&beta;-mammal/insect toxin Ts7|Tityustoxin VII|TsTX-VII"	""	""	""	""	""	""
"11713"	"&beta;-secretase inhibitor IV"	""	"Synthetic organic"	""	""	""	""	"458923748"	"5287532"	""	""	"CHEMBL378225"	""	""	""	""	"3-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide"	""	"compound 24 [PMID: 17432843]"	"C[C@H](c1ccccc1)NC(=O)c1cc(cc(c1)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC1CC1)O"	"VPNIQGRFZCTBEZ-SPTGULJVSA-N"	"InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1"	""	""	""
"13860"	"beta-Sitosterol"	""	"Natural product"	""	""	""	""	"513757545"	"222284"	""	""	"CHEMBL221542"	""	""	""	""	"(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"	""	"&beta;-Sitosterol|azuprostat|clionasterol"	"CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C"	"KZJWDPNRJALLNS-VJSFXXLFSA-N"	"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1"	""	""	""
"2078"	"&beta;<sup>3</sup>-tetrapeptide"	""	"Peptide"	""	""	""	""	"135652020"	"73755026"	""	""	""	""	""	""	""	""	""	""	"NCCCC[C@H](NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C[C@H](Cc1cccc(c1)O)NC(=O)C)CC(=O)N[C@@H]1CC(=O)O[C@@H]1C"	"GQYXVIIYXPRQJK-JZYDGZRSSA-N"	"InChI=1S/C35H46N6O7/c1-21-30(19-34(46)48-21)40-32(44)17-25(9-5-6-13-36)39-35(47)31(16-24-20-37-29-12-4-3-11-28(24)29)41-33(45)18-26(38-22(2)42)14-23-8-7-10-27(43)15-23/h3-4,7-8,10-12,15,20-21,25-26,30-31,37,43H,5-6,9,13-14,16-19,36H2,1-2H3,(H,38,42)(H,39,47)(H,40,44)(H,41,45)/t21-,25+,26+,30-,31?/m1/s1"	""	""	""
"549"	"betaxolol"	""	"Synthetic organic"	"yes"	""	""	""	"135649987"	"2369"	""	""	"CHEMBL423"	""	""	""	""	"1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol"	"betaxolol"	"betaxolol HCl|Betoptic&reg;|Kerlone&reg;|SL-75212-10"	"OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C"	"NWIUTZDMDHAVTP-UHFFFAOYSA-N"	"InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3"	""	""	""
"7126"	"betazole"	""	"Synthetic organic"	"yes"	""	""	""	"178103703"	"7741"	""	""	"CHEMBL1201323"	""	""	""	""	"2-(1H-pyrazol-3-yl)ethan-1-amine"	"betazole"	"ametazole|Histalog&reg;"	"NCCc1cc[nH]n1"	"JXDFEQONERDKSS-UHFFFAOYSA-N"	"InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)"	""	""	""
"297"	"bethanechol"	""	"Synthetic organic"	"yes"	""	""	""	"135649988"	"2370"	""	""	"CHEMBL1482"	""	""	""	""	"2-carbamoyloxypropyl-trimethylazanium"	""	"Duvoid&reg;|Urecholine&reg;"	"CC(C[N+](C)(C)C)OC(=O)N"	"NZUPCNDJBJXXRF-UHFFFAOYSA-O"	"InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1"	""	""	""
"7585"	"BETP"	""	"Synthetic organic"	""	""	""	""	"223365920"	"49868481"	""	""	""	""	""	""	""	"2-ethylsulfinyl-4-(3-phenylmethoxyphenyl)-6-(trifluoromethyl)pyrimidine"	""	""	"CCS(=O)c1nc(cc(n1)C(F)(F)F)c1cccc(c1)OCc1ccccc1"	"NTDFYGSSDDMNHI-UHFFFAOYSA-N"	"InChI=1S/C20H17F3N2O2S/c1-2-28(26)19-24-17(12-18(25-19)20(21,22)23)15-9-6-10-16(11-15)27-13-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3"	""	""	""
"9602"	"betrixaban"	""	"Synthetic organic"	"yes"	""	""	""	"340590232"	"10275777"	""	""	"CHEMBL512351"	""	""	""	""	"N-(5-chloropyridin-2-yl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide"	"betrixaban"	"Bevyxxa&reg;|compound 11 [PMID: 19297154]|PRT-054021|PRT054021"	"COc1ccc(c(c1)C(=O)Nc1ccc(cn1)Cl)NC(=O)c1ccc(cc1)C(=N)N(C)C"	"XHOLNRLADUSQLD-UHFFFAOYSA-N"	"InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)"	""	""	""
"3945"	"betulinic acid"	""	"Natural product"	""	""	""	""	"178100772"	"64971"	""	""	"CHEMBL269277"	""	""	""	""	"(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid"	""	""	"CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O"	"QGJZLNKBHJESQX-FZFNOLFKSA-N"	"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1"	""	""	""
"6771"	"bevacizumab"	""	"Antibody"	"yes"	""	""	""	"178103377"	"0"	""	""	""	""	""	""	""	""	"bevacizumab"	"Avastin&reg;|rhuMAb-VEGF"	""	""	""	""	""	""
"14691"	"bevantolol"	""	"Synthetic organic"	""	""	""	""	"530846939"	"2372"	""	""	"CHEMBL314010"	""	""	""	""	"1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol"	""	""	"CC1=CC(=CC=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O"	"HXLAFSUPPDYFEO-UHFFFAOYSA-N"	"InChI=1S/C20H27NO4/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3"	""	""	""
"13629"	"bevasiranib"	""	"Nucleic acid"	""	""	""	""	"504705448"	"70695616"	""	""	"CHEMBL2110581"	""	""	""	""	""	""	""	"CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=NC5=O)N)COP(=O)(O)O[C@@H]6[C@H](O[C@H]([C@@H]6O)N7C=NC8=C(N=CN=C87)N)COP(=O)(O)O[C@@H]9[C@H](O[C@H]([C@@H]9O)N%10C=CC(=NC%10=O)N)COP(=O)(O)O[C@@H]%11[C@H](O[C@H]([C@@H]%11O)N%12C=NC%13=C%12N=C(NC%13=O)N)COP(=O)(O)O[C@@H]%14[C@H](O[C@H]([C@@H]%14O)N%15C=NC%16=C(N=CN=C%16%15)N)COP(=O)(O)O[C@@H]%17[C@H](O[C@H]([C@@H]%17O)N%18C=CC(=NC%18=O)N)COP(=O)(O)O[C@@H]%19[C@H](O[C@H]([C@@H]%19O)N%20C=CC(=NC%20=O)N)COP(=O)(O)O[C@@H]%21[C@H](O[C@H]([C@@H]%21O)N%22C=NC%23=C%22N=C(NC%23=O)N)COP(=O)(O)O[C@@H]%24[C@H](O[C@H]([C@@H]%24O)N%25C=NC%26=C%25N=C(NC%26=O)N)COP(=O)(O)O[C@@H]%27[C@H](O[C@H]([C@@H]%27O)N%28C=NC%29=C(N=CN=C%29%28)N)COP(=O)(O)O[C@@H]%30[C@H](O[C@H]([C@@H]%30O)N%31C=NC%32=C(N=CN=C%32%31)N)COP(=O)(O)O[C@@H]%33[C@H](O[C@H]([C@@H]%33O)N%34C=CC(=NC%34=O)N)COP(=O)(O)O[C@@H]%35[C@H](O[C@H]([C@@H]%35O)N%36C=CC(=NC%36=O)N)COP(=O)(O)O[C@@H]%37[C@H](O[C@H]([C@@H]%37O)N%38C=NC%39=C(N=CN=C%39%38)N)COP(=O)(O)O[C@@H]%40[C@H](O[C@H]([C@@H]%40O)N%41C=CC(=NC%41=O)N)COP(=O)(O)O[C@@H]%42[C@H](O[C@H]([C@@H]%42O)N%43C=CC(=O)NC%43=O)COP(=O)(O)O[C@@H]%44[C@H](O[C@H]([C@@H]%44O)N%45C=CC(=NC%45=O)N)COP(=O)(O)O[C@@H]%46[C@H](O[C@H]([C@@H]%46O)N%47C=CC(=NC%47=O)N)COP(=O)(O)O[C@@H]%48[C@H](O[C@H]([C@@H]%48O)N%49C=NC%50=C(N=CN=C%50%49)N)CO)N%51C=C(C(=O)NC%51=O)C)O"	"PRYZSLKPMFOUNL-MHIBGBBJSA-N"	"InChI=1S/C200H254N78O140P20/c1-63-25-268(199(316)256-162(63)301)98-23-65(280)68(378-98)28-358-419(318,319)399-66-24-99(269-26-64(2)163(302)257-200(269)317)379-69(66)29-359-420(320,321)401-129-71(382-167(110(129)283)258-13-3-88(201)240-189(258)306)31-366-431(342,343)411-139-80(391-178(120(139)293)271-55-232-101-148(211)220-49-226-154(101)271)40-371-430(340,341)409-137-78(389-175(118(137)291)266-21-11-96(209)248-197(266)314)38-369-434(348,349)416-144-85(396-183(125(144)298)276-60-237-106-159(276)250-186(216)253-164(106)303)45-375-436(352,353)414-142-83(394-181(123(142)296)274-58-235-104-151(214)223-52-229-157(104)274)43-373-429(338,339)407-135-74(385-173(116(135)289)264-19-9-94(207)246-195(264)312)34-363-424(328,329)404-133-77(388-171(114(133)287)262-17-7-92(205)244-193(262)310)37-368-433(346,347)417-145-87(398-184(126(145)299)277-61-238-107-160(277)251-187(217)254-165(107)304)47-377-438(356,357)418-146-86(397-185(127(146)300)278-62-239-108-161(278)252-188(218)255-166(108)305)46-376-437(354,355)415-143-84(395-182(124(143)297)275-59-236-105-152(215)224-53-230-158(105)275)44-374-435(350,351)413-141-82(393-180(122(141)295)273-57-234-103-150(213)222-51-228-156(103)273)42-372-428(336,337)406-134-73(384-172(115(134)288)263-18-8-93(206)245-194(263)311)33-362-423(326,327)403-132-76(387-170(113(132)286)261-16-6-91(204)243-192(261)309)36-367-432(344,345)412-140-81(392-179(121(140)294)272-56-233-102-149(212)221-50-227-155(102)272)41-370-427(334,335)408-136-75(386-174(117(136)290)265-20-10-95(208)247-196(265)313)35-364-426(332,333)410-138-79(390-176(119(138)292)267-22-12-97(281)249-198(267)315)39-365-425(330,331)405-131-72(383-169(112(131)285)260-15-5-90(203)242-191(260)308)32-361-422(324,325)402-130-70(381-168(111(130)284)259-14-4-89(202)241-190(259)307)30-360-421(322,323)400-128-67(27-279)380-177(109(128)282)270-54-231-100-147(210)219-48-225-153(100)270/h3-22,25-26,48-62,65-87,98-99,109-146,167-185,279-280,282-300H,23-24,27-47H2,1-2H3,(H,318,319)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H,336,337)(H,338,339)(H,340,341)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H,350,351)(H,352,353)(H,354,355)(H,356,357)(H2,201,240,306)(H2,202,241,307)(H2,203,242,308)(H2,204,243,309)(H2,205,244,310)(H2,206,245,311)(H2,207,246,312)(H2,208,247,313)(H2,209,248,314)(H2,210,219,225)(H2,211,220,226)(H2,212,221,227)(H2,213,222,228)(H2,214,223,229)(H2,215,224,230)(H,249,281,315)(H,256,301,316)(H,257,302,317)(H3,216,250,253,303)(H3,217,251,254,304)(H3,218,252,255,305)/t65-,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,98+,99+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181+,182+,183+,184+,185+/m0/s1"	""	""	""
"13258"	"bevemipretide"	""	"Peptide"	""	""	""	""	"491300040"	"138688997"	""	""	""	""	""	""	""	"(2R)-2-amino-N-[(2S)-1-[[(1S)-5-amino-1-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]amino]-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide"	"bevemipretide"	"SBT-272|SBT272"	"CC1=CC(=CC(=C1C[C@@H](C(=O)N[C@@H](CCCCN)C2=NC(=NO2)CC3=CC=CC=C3)NC(=O)[C@@H](CCCN=C(N)N)N)C)O"	"XEYINAAYNXIXPY-ZNZIZOMTSA-N"	"InChI=1S/C31H45N9O4/c1-19-15-22(41)16-20(2)23(19)18-26(38-28(42)24(33)11-8-14-36-31(34)35)29(43)37-25(12-6-7-13-32)30-39-27(40-44-30)17-21-9-4-3-5-10-21/h3-5,9-10,15-16,24-26,41H,6-8,11-14,17-18,32-33H2,1-2H3,(H,37,43)(H,38,42)(H4,34,35,36)/t24-,25+,26+/m1/s1"	""	""	""
"13953"	"bevifibatide"	""	"Peptide"	"yes"	""	""	""	"513757638"	"71556891"	""	""	""	""	""	""	""	"2-[(3S,6S,12S,20R,23S)-20-carbamoyl-12-[3-(diaminomethylideneamino)propyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid"	""	"BAT-2094|batifiban|Beitaning|Betagrin&reg;|Compound I [CN101085809A]"	"C1C[C@H]2C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCN=C(N)N)C(=O)N"	"UUQHAAWMCLITRZ-KEOOTSPTSA-N"	"InChI=1S/C34H47N11O9S2/c35-29(50)24-17-56-55-12-9-26(46)41-21(7-3-10-38-34(36)37)30(51)40-16-27(47)42-22(14-28(48)49)31(52)43-23(13-18-15-39-20-6-2-1-5-19(18)20)33(54)45-11-4-8-25(45)32(53)44-24/h1-2,5-6,15,21-25,39H,3-4,7-14,16-17H2,(H2,35,50)(H,40,51)(H,41,46)(H,42,47)(H,43,52)(H,44,53)(H,48,49)(H4,36,37,38)/t21-,22-,23-,24-,25-/m0/s1"	""	""	""
"12335"	"bexagliflozin"	""	"Synthetic organic"	"yes"	""	""	""	"479821126"	"25195624"	""	""	"CHEMBL1808388"	""	""	""	""	"(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol"	"bexagliflozin"	"Brenzavvy&reg;|compound 29 [PMID: 21737266]|EGT-0001442|EGT-1442|EGT1442|THR-1442"	"C1CC1OCCOc1ccc(cc1)Cc1c(ccc(c1)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)Cl"	"BTCRKOKVYTVOLU-SJSRKZJXSA-N"	"InChI=1S/C24H29ClO7/c25-19-8-3-15(24-23(29)22(28)21(27)20(13-26)32-24)12-16(19)11-14-1-4-17(5-2-14)30-9-10-31-18-6-7-18/h1-5,8,12,18,20-24,26-29H,6-7,9-11,13H2/t20-,21-,22+,23-,24+/m1/s1"	""	""	""
"2807"	"bexarotene"	""	"Synthetic organic"	"yes"	""	""	""	"135650520"	"82146"	""	""	"CHEMBL1023"	""	""	""	""	"4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid"	"bexarotene"	"LGD1069|Targretin&reg;|Targrexin&reg;"	"Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)O)C(C)(C)CCC2(C)C"	"NAVMQTYZDKMPEU-UHFFFAOYSA-N"	"InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)"	""	""	""
"12907"	"bexmarilimab"	""	"Antibody"	""	""	""	""	"485206028"	"0"	""	""	""	""	""	""	""	""	"bexmarilimab"	"Clevegen|FP-1305|FP1305"	""	""	""	"yes"	""	""
"12898"	"bexobrutideg"	""	"Synthetic organic"	""	""	""	""	"485206019"	"156464216"	""	""	""	""	""	""	""	"3-[4-[1-[[1-[6-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]pyridin-3-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide"	"bexobrutideg"	"compound 195 [WO2021113557A1]|NX-5948|NX5948"	"CN1CCN([C@@H]2CCCN(C2)C3=NC(NC4=CC=C(C=C4)C5CCN(CC6CCN(CC6)C7=CN=C(C=C7)C(=O)N[C@H]8CCC(=O)NC8=O)CC5)=C(N=C3)C(N)=O)C1=O"	"HPTPDBYCFHFWJG-CWTKIQHKSA-N"	"InChI=1S/C42H54N12O5/c1-50-21-22-54(42(50)59)32-3-2-16-53(26-32)35-24-45-37(38(43)56)39(48-35)46-30-6-4-28(5-7-30)29-14-17-51(18-15-29)25-27-12-19-52(20-13-27)31-8-9-33(44-23-31)40(57)47-34-10-11-36(55)49-41(34)58/h4-9,23-24,27,29,32,34H,2-3,10-22,25-26H2,1H3,(H2,43,56)(H,46,48)(H,47,57)(H,49,55,58)/t32-,34+/m1/s1"	"yes"	""	""
"12108"	"bexotegrast"	""	"Synthetic organic"	""	""	""	""	"472319230"	"135390719"	""	""	""	""	""	""	""	"(2S)-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(quinazolin-4-ylamino)butanoic acid"	"bexotegrast"	"PLN-74809|PLN74809"	"COCCN(CCCCc1nc2c(CCCN2)cc1)CC[C@@H](C(=O)O)Nc1ncnc2ccccc12"	"CWOFQJBATWQSHL-DEOSSOPVSA-N"	"InChI=1S/C27H36N6O3/c1-36-18-17-33(15-5-4-8-21-12-11-20-7-6-14-28-25(20)31-21)16-13-24(27(34)35)32-26-22-9-2-3-10-23(22)29-19-30-26/h2-3,9-12,19,24H,4-8,13-18H2,1H3,(H,28,31)(H,34,35)(H,29,30,32)/t24-/m0/s1"	""	""	""
"14658"	"bezacitinib"	""	"Synthetic organic"	"yes"	""	""	""	"530846906"	"137473117"	""	""	""	""	""	""	""	""	""	"bewintinib|bonretinib|compound 1a [WO2017129116]|OB-756|OB756"	"C1C(N2C=C(C=3N=CN=C4NC=CC34)C=N2)(CC#N)CCN(S(CC)(=O)=O)C1"	"FMPVHEWUXRWOKK-UHFFFAOYSA-N"	"InChI=1S/C18H21N7O2S/c1-2-28(26,27)24-9-5-18(4-7-19,6-10-24)25-12-14(11-23-25)16-15-3-8-20-17(15)22-13-21-16/h3,8,11-13H,2,4-6,9-10H2,1H3,(H,20,21,22)"	"yes"	""	""
"2668"	"bezafibrate"	""	"Synthetic organic"	"yes"	""	""	""	"135649989"	"39042"	""	""	"CHEMBL264374"	""	""	""	""	"2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acid"	"bezafibrate"	"Bezalip&reg;"	"Clc1ccc(cc1)C(=O)NCCc1ccc(cc1)OC(C(=O)O)(C)C"	"IIBYAHWJQTYFKB-UHFFFAOYSA-N"	"InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)"	""	""	""
"13988"	"bezisterim"	""	"Synthetic organic"	""	""	""	""	"518520615"	"16739648"	""	""	"CHEMBL4297284"	""	""	""	""	"(3S,7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,7,17-triol"	"bezisterim"	"17-ethynyl-5-androstene-3,7,17-triol|HE-3286|HE3286|NE-3107|NE3107"	"C[C@]12CC[C@@H](CC1=C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C)O)O"	"JJKOQZHWYLMASZ-FJWDNACWSA-N"	"InChI=1S/C21H30O3/c1-4-21(24)10-7-16-18-15(6-9-20(16,21)3)19(2)8-5-14(22)11-13(19)12-17(18)23/h1,12,14-18,22-24H,5-11H2,2-3H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1"	"yes"	""	""
"13334"	"bezlotoxumab"	""	"Antibody"	"yes"	""	""	""	"496703304"	"0"	""	""	"CHEMBL2108670"	""	""	""	""	""	"bezlotoxumab"	"BLA 761046|MBL-CDB1|MDX-1388|Zinplava&reg;"	""	""	""	""	""	"yes"
"11868"	"bezuclastinib"	""	"Synthetic organic"	""	""	""	""	"461663424"	"75593308"	""	""	""	""	""	""	""	"4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide"	"bezuclastinib"	"CGT-9486|CGT9486|PLX-9486|PLX9486"	"Cc1c([nH]nc1C(=O)Nc1cnc2c(c1)cc([nH]2)c1ccccc1)C"	"NVSHVYGIYPBTEZ-UHFFFAOYSA-N"	"InChI=1S/C19H17N5O/c1-11-12(2)23-24-17(11)19(25)21-15-8-14-9-16(22-18(14)20-10-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22)(H,21,25)(H,23,24)"	""	""	""
"8424"	"BF-1"	""	"Synthetic organic"	""	""	""	""	"252166634"	"10287037"	""	""	""	""	""	""	""	"4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine"	""	""	"CCOc1ccc2c(c1)Sc1c(C2=C2CCN(CC2)C)c(OC)ccc1"	"ANZVBVKYXOGOQC-UHFFFAOYSA-N"	"InChI=1S/C22H25NO2S/c1-4-25-16-8-9-17-20(14-16)26-19-7-5-6-18(24-3)22(19)21(17)15-10-12-23(2)13-11-15/h5-9,14H,4,10-13H2,1-3H3"	""	""	""
"14384"	"BF-2"	""	"Natural product"	""	""	""	""	"523352176"	"141755442"	""	""	""	""	""	""	""	"5,7-dihydroxy-8-[1-(2-hydroxy-4-methoxy-3,5,5-trimethyl-6-oxocyclohexa-1,3-dien-1-yl)-2-methylpropyl]-6-methyl-2-phenyl-2,3-dihydrochromen-4-one"	""	""	"COC1=C(C)C(=O)C(C(C(C)C)C2=C(O)C(C)=C(O)C3=C2OC(CC3=O)C4=CC=CC=C4)=C(O)C1(C)C"	"BQIRKIAZMDDMDP-UHFFFAOYSA-N"	"InChI=1S/C30H34O7/c1-14(2)20(23-26(34)16(4)29(36-7)30(5,6)28(23)35)22-25(33)15(3)24(32)21-18(31)13-19(37-27(21)22)17-11-9-8-10-12-17/h8-12,14,19-20,32-33,35H,13H2,1-7H3"	""	""	""
"3380"	"BGC201531"	""	"Synthetic organic"	""	""	""	""	"178100398"	"73755047"	""	""	""	""	""	""	""	"4-[4-(5-methoxypyridin-2-yl)phenoxymethyl]-5-methyl-N-[(2-methylbenzene)sulfonyl]oxolane-2-carboxamide"	""	"BGC20-1531"	"COc1ccc(nc1)c1ccc(cc1)OCC1CC(OC1C)C(=O)NS(=O)(=O)c1ccccc1C"	"BGXAOTTWXYPIQN-UHFFFAOYSA-N"	"InChI=1S/C26H28N2O6S/c1-17-6-4-5-7-25(17)35(30,31)28-26(29)24-14-20(18(2)34-24)16-33-21-10-8-19(9-11-21)23-13-12-22(32-3)15-27-23/h4-13,15,18,20,24H,14,16H2,1-3H3,(H,28,29)"	""	""	""
"2551"	"BgK"	""	"Peptide"	""	""	""	""	"135652021"	"0"	"P29186"	""	""	""	""	""	""	""	""	"Potassium channel toxin Bgk"	""	""	""	""	""	""
"7951"	"BGT-226"	""	"Synthetic organic"	""	""	""	""	"249565634"	"11978790"	""	""	"CHEMBL3218578"	""	""	""	""	"8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]imidazo[5,4-c]quinolin-2-one"	""	"BGT 226|BGT-226 free base|BGT226|NPV-BGT226"	"COc1ccc(cn1)c1ccc2c(c1)c1c(cn2)n(c(=O)n1c1ccc(c(c1)C(F)(F)F)N1CCNCC1)C"	"BMMXYEBLEBULND-UHFFFAOYSA-N"	"InChI=1S/C28H25F3N6O2/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36/h3-8,13-16,32H,9-12H2,1-2H3"	""	""	""
"5152"	"BH3 interacting-domain death agonist"	"Human"	"Peptide"	""	""	""	""	"178101844"	"0"	"P55957"	"ENSG00000015475"	""	""	""	""	""	""	""	"BID"	""	""	""	""	""	""
"5503"	"BHF-177"	""	"Synthetic organic"	""	""	""	""	"178102149"	"56940925"	""	""	"CHEMBL2346820"	""	""	""	""	"N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine"	""	"BHF 177|BHF177"	"Cc1ncc(c(n1)N[C@@H]1C[C@@H]2C[C@H]1CC2)c1ccc(cc1)C(F)(F)F"	"ADHZHPOKTRHZGT-DXCKQFNASA-N"	"InChI=1S/C19H20F3N3/c1-11-23-10-16(13-4-6-15(7-5-13)19(20,21)22)18(24-11)25-17-9-12-2-3-14(17)8-12/h4-7,10,12,14,17H,2-3,8-9H2,1H3,(H,23,24,25)/t12-,14+,17+/m0/s1"	""	""	""
"5504"	"(+)-BHFF"	""	"Synthetic organic"	""	""	""	""	"178102150"	"7023848"	""	""	""	""	""	""	""	"(3S)-5,7-ditert-butyl-3-hydroxy-3-(trifluoromethyl)-1-benzofuran-2-one"	""	""	"O=C1Oc2c([C@@]1(O)C(F)(F)F)cc(cc2C(C)(C)C)C(C)(C)C"	"RVNOANDLZIIFHB-INIZCTEOSA-N"	"InChI=1S/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3/t16-/m0/s1"	""	""	""
"5486"	"BHQ"	""	"Synthetic organic"	""	""	""	""	"178102133"	"75550"	""	""	"CHEMBL375695"	""	""	""	""	"2,6-di-tert-butylbenzene-1,4-diol"	""	""	"Oc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C"	"JFGVTUJBHHZRAB-UHFFFAOYSA-N"	"InChI=1S/C14H22O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,15-16H,1-6H3"	""	""	""
"11242"	"BI01383298"	""	"Synthetic organic"	""	""	""	""	"434122302"	"134604213"	""	""	""	""	""	""	""	"1-(3,5-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide"	""	"BI-01383298"	"O=C(C1CCN(CC1)S(=O)(=O)c1cc(Cl)cc(c1)Cl)NCc1ccc(cc1)F"	"VUOYAALVGSMUHC-UHFFFAOYSA-N"	"InChI=1S/C19H19Cl2FN2O3S/c20-15-9-16(21)11-18(10-15)28(26,27)24-7-5-14(6-8-24)19(25)23-12-13-1-3-17(22)4-2-13/h1-4,9-11,14H,5-8,12H2,(H,23,25)"	""	""	""
"12279"	"BI-0474"	""	"Synthetic organic"	""	""	""	""	"473153867"	"165416585"	""	""	""	""	""	""	""	"(4S)-2-amino-4-[3-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile"	""	"BI 0474|BI0474|compound 23 [PMID: 36300829]"	"C[C@H]1CN(C)CCN1c1nc(cc(c1)N1CCN(CC1)C(=O)C=C)c1noc(n1)[C@@]1(C)CCCc2c1c(C#N)c(N)s2"	"CKAMBYUZKWQCKJ-ADSBAMQRSA-N"	"InChI=1S/C30H37N9O2S/c1-5-25(40)38-12-10-37(11-13-38)20-15-22(33-24(16-20)39-14-9-36(4)18-19(39)2)28-34-29(41-35-28)30(3)8-6-7-23-26(30)21(17-31)27(32)42-23/h5,15-16,19H,1,6-14,18,32H2,2-4H3/t19-,30-/m0/s1"	""	""	""
"11717"	"BI1265162"	""	"Synthetic organic"	""	""	""	""	"458923752"	"126619641"	""	""	""	""	""	""	""	"3-amino-6-chloro-N-[[5-[2-[2-(dimethylphosphorylmethoxy)ethylamino]-2-oxoethoxy]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide"	""	"BI-1265162|example 2.04 [WO2017028927A1]"	"CCn1c(CNC(=O)c2nc(Cl)cnc2N)[n+](CC)c2ccc(OCC(=O)NCCOCP(=O)(C)C)cc12"	"DXVNYGRCASBPNU-UHFFFAOYSA-O"	"InChI=1S/C24H33ClN7O5P/c1-5-31-17-8-7-16(37-14-20(33)27-9-10-36-15-38(3,4)35)11-18(17)32(6-2)21(31)13-29-24(34)22-23(26)28-12-19(25)30-22/h7-8,11-12H,5-6,9-10,13-15H2,1-4H3,(H3-,26,27,28,29,33,34)/p+1"	""	""	""
"12065"	"BI-167107"	""	"Synthetic organic"	""	""	""	""	"472319187"	"45483813"	""	""	"CHEMBL579394"	""	""	""	""	"5-hydroxy-8-[1-hydroxy-2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one"	""	"BI167107|compound 6b [PMID: 19875286]"	"Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O"	"NWQXBEWHTDRJIP-UHFFFAOYSA-N"	"InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-17(25)15-8-9-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)"	""	""	""
"9717"	"BI-1935"	""	"Synthetic organic"	""	""	""	""	"348353676"	"57861407"	""	""	""	""	""	""	""	"1-(2-ethoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridine-3-carboxamide"	""	"BI 1935|example 3 [WO2007067836]"	"CCOCCn1cc(ccc1=O)C(=O)Nc1ccc(cn1)n1nc(cc1C(F)(F)F)c1cccnc1"	"KMESAVNRPDKZCQ-UHFFFAOYSA-N"	"InChI=1S/C24H21F3N6O3/c1-2-36-11-10-32-15-17(5-8-22(32)34)23(35)30-21-7-6-18(14-29-21)33-20(24(25,26)27)12-19(31-33)16-4-3-9-28-13-16/h3-9,12-15H,2,10-11H2,1H3,(H,29,30,35)"	"yes"	""	""
"9719"	"BI-1950"	""	"Synthetic organic"	""	""	""	""	"348353678"	"58431184"	""	""	""	""	""	""	""	"(2S)-2-{[(3R)-3-[(4-cyanophenyl)methyl]-1-(3,5-dichloro-4-fluorophenyl)-3-methyl-2-oxo-1H,2H,3H-[1,3]diazolo[1,2-a]imidazol-5-yl]formamido}-N-[1-(pyridin-2-yl)cyclopropyl]propanamide"	""	""	"N#Cc1ccc(cc1)C[C@]1(C)C(=O)N(c2n1c(cn2)C(=O)N[C@H](C(=O)NC1(CC1)c1ccccn1)C)c1cc(Cl)c(c(c1)Cl)F"	"JZTTUZXIQIRVAB-FZEVHQGJSA-N"	"InChI=1S/C32H26Cl2FN7O3/c1-18(27(43)40-32(10-11-32)25-5-3-4-12-37-25)39-28(44)24-17-38-30-41(21-13-22(33)26(35)23(34)14-21)29(45)31(2,42(24)30)15-19-6-8-20(16-36)9-7-19/h3-9,12-14,17-18H,10-11,15H2,1-2H3,(H,39,44)(H,40,43)/t18-,31+/m0/s1"	"yes"	""	""
"12764"	"BI-2493"	""	"Synthetic organic"	""	""	""	""	"483123312"	"168268198"	""	""	""	""	""	""	""	"(7S)-2'-amino-3-[2-[(2S)-2-methylpiperazin-1-yl]pyrimidin-4-yl]spiro[5,6-dihydro-4H-1,2-benzoxazole-7,4'-6,7-dihydro-5H-1-benzothiophene]-3'-carbonitrile"	""	"BI2493"	"C[C@H]1CNCCN1C2=NC=CC(=N2)C3=NOC4=C3CCC[C@@]45CCCC6=C5C(C#N)=C(N)S6"	"PVOYBVVIBNPTPJ-BSEYFRJRSA-N"	"InChI=1S/C24H27N7OS/c1-14-13-27-10-11-31(14)23-28-9-6-17(29-23)20-15-4-2-7-24(21(15)32-30-20)8-3-5-18-19(24)16(12-25)22(26)33-18/h6,9,14,27H,2-5,7-8,10-11,13,26H2,1H3/t14-,24-/m0/s1"	""	""	""
"5666"	"BI-2536"	""	"Synthetic organic"	""	""	""	""	"178102294"	"11364421"	""	""	"CHEMBL513909"	""	""	""	""	"4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide"	""	"BI 2536|BI2536"	"CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)NC1CCN(CC1)C"	"XQVVPGYIWAGRNI-JOCHJYFZSA-N"	"InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1"	""	""	""
"9791"	"BI-2545"	""	"Synthetic organic"	""	""	""	""	"354702264"	"131953432"	""	""	""	""	""	""	""	"[3,5-bis(trifluoromethyl)phenyl]methyl (1R,5S,6S)-6-{[(1H-1,2,3-benzotriazol-5-yl)formamido]methyl}-3-azabicyclo[3.1.0]hexane-3-carboxylate"	""	"BI2545|compound 19 [PMID: 29259743]"	"O=C(N1C[C@@H]2[C@H](C1)[C@@H]2CNC(=O)c1ccc2c(c1)nn[nH]2)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F"	"ZDOBSAPHUUUOHX-BJWYYQGGSA-N"	"InChI=1S/C23H19F6N5O3/c24-22(25,26)13-3-11(4-14(6-13)23(27,28)29)10-37-21(36)34-8-16-15(17(16)9-34)7-30-20(35)12-1-2-18-19(5-12)32-33-31-18/h1-6,15-17H,7-10H2,(H,30,35)(H,31,32,33)/t15-,16+,17-"	"yes"	""	""
"12478"	"BI-3231"	""	"Synthetic organic"	""	""	""	""	"479821268"	"167312378"	""	""	""	""	""	""	""	""	""	"BI3231|compound 45 [PMID: 36727857]"	"FC1=C(C=CC(=C1O)F)C2=NN=C(S2)CN3C(N(C(C(=C3)C)=O)CC)=O"	"XKDHFIPNTTUSIA-UHFFFAOYSA-N"	"InChI=1S/C16H14F2N4O3S/c1-3-22-15(24)8(2)6-21(16(22)25)7-11-19-20-14(26-11)9-4-5-10(17)13(23)12(9)18/h4-6,23H,3,7H2,1-2H3"	""	""	""
"12061"	"BI-3406"	""	"Synthetic organic"	""	""	""	""	"472319183"	"138911318"	""	""	"CHEMBL4519023"	""	""	""	""	"N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine"	""	"BI3406"	"Cc1nc2cc(c(cc2c(n1)N[C@H](C)c1cc(cc(c1)N)C(F)(F)F)O[C@H]1CCOC1)OC"	"XVFDNRYZXDHTHT-PXAZEXFGSA-N"	"InChI=1S/C23H25F3N4O3/c1-12(14-6-15(23(24,25)26)8-16(27)7-14)28-22-18-9-21(33-17-4-5-32-11-17)20(31-3)10-19(18)29-13(2)30-22/h6-10,12,17H,4-5,11,27H2,1-3H3,(H,28,29,30)/t12-,17+/m1/s1"	""	""	""
"11338"	"BI-3802"	""	"Synthetic organic"	""	""	""	""	"440816707"	"131632978"	""	""	""	""	""	""	""	"2-[6-[[5-chloro-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide"	""	"BI3802"	"CNC(=O)COc1cc2cc(ccc2n(c1=O)C)Nc1nc(ncc1Cl)N1C[C@H](C)C[C@@H](C1)C"	"GXTJETQFYHZHNB-GASCZTMLSA-N"	"InChI=1S/C24H29ClN6O3/c1-14-7-15(2)12-31(11-14)24-27-10-18(25)22(29-24)28-17-5-6-19-16(8-17)9-20(23(33)30(19)4)34-13-21(32)26-3/h5-6,8-10,14-15H,7,11-13H2,1-4H3,(H,26,32)(H,27,28,29)/t14-,15+"	""	""	""
"12984"	"BI-4020"	""	"Synthetic organic"	""	""	""	""	"485206105"	"139600318"	""	""	""	""	""	""	""	""	""	"BI4020"	"C[C@@H]1CCCOC2=C(C=NN2C)C3=NC(=CC(=C3)C(=O)NC4=NC5=C(N4C1)C=C(C=C5)CN6CCN(CC6)C)C"	"AIQBYZOTCIQTGW-HXUWFJFHSA-N"	"InChI=1S/C30H38N8O2/c1-20-6-5-13-40-29-24(17-31-36(29)4)26-16-23(14-21(2)32-26)28(39)34-30-33-25-8-7-22(15-27(25)38(30)18-20)19-37-11-9-35(3)10-12-37/h7-8,14-17,20H,5-6,9-13,18-19H2,1-4H3,(H,33,34,39)/t20-/m1/s1"	""	""	""
"12164"	"BI-4142"	""	"Synthetic organic"	""	""	""	""	"472319286"	"156821173"	""	""	""	""	""	""	""	"N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-amine"	""	"BI4142|compound 8 [PMID: 35883003]|example L-1 [WO2021156178A1]"	"Cc1cc(ccc1Oc1cc2c(n(cn2)C)cc1)Nc1c2c(ncn1)cnc(n2)N1CCNCC1"	"GBSWEJRAVNWKCB-UHFFFAOYSA-N"	"InChI=1S/C25H25N9O/c1-16-11-17(3-6-22(16)35-18-4-5-21-19(12-18)30-15-33(21)2)31-24-23-20(28-14-29-24)13-27-25(32-23)34-9-7-26-8-10-34/h3-6,11-15,26H,7-10H2,1-2H3,(H,28,29,31)"	""	""	""
"13398"	"BI-43"	""	"Synthetic organic"	""	""	""	""	"496703368"	"171663349"	""	""	""	""	""	""	""	"(3Z)-3-[(1H-1,3-benzodiazol-5-yl)methylidene]-4-{[1-(pyridine-4-carbonyl)piperidin-4-yl]oxy}-2,3-dihydro-1H-indol-2-one"	""	""	"O=C(N1CCC(CC1)OC2=CC=CC3=C2/C(=C/C4=CC5=C(NC=N5)C=C4)/C(=O)N3)C6=CC=NC=C6"	"GSCMGEFRZRHXIE-ZHZULCJRSA-N"	"InChI=1S/C27H23N5O3/c33-26-20(14-17-4-5-21-23(15-17)30-16-29-21)25-22(31-26)2-1-3-24(25)35-19-8-12-32(13-9-19)27(34)18-6-10-28-11-7-18/h1-7,10-11,14-16,19H,8-9,12-13H2,(H,29,30)(H,31,33)/b20-14-"	""	""	""
"6695"	"BI6015"	""	"Synthetic organic"	""	""	""	""	"178103306"	"3269393"	""	""	""	""	""	""	""	"2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylbenzimidazole"	""	"BI 6015|BI-6015"	"O=N(=O)c1ccc(c(c1)S(=O)(=O)n1c(C)nc2c1cccc2)C"	"ILVCPQPMRPHZSG-UHFFFAOYSA-N"	"InChI=1S/C15H13N3O4S/c1-10-7-8-12(18(19)20)9-15(10)23(21,22)17-11(2)16-13-5-3-4-6-14(13)17/h3-9H,1-2H3"	""	""	""
"9357"	"BI605906"	""	"Synthetic organic"	""	""	""	""	"328083459"	"23652660"	""	""	""	""	""	""	""	"3-amino-4-(1,1-difluoropropyl)-6-(4-methylsulfonylpiperidin-1-yl)thieno[5,4-b]pyridine-2-carboxamide"	""	"3-Amino-4-(1,1-difluoro- propyl)-6-(4-methanesulfonyl- piperidin-1-yl)-thieno[2,3- b]pyridine-2-carboxylic acid amide|compound 115 [US20070293533]"	"CCC(c1cc(nc2c1c(N)c(s2)C(=O)N)N1CCC(CC1)S(=O)(=O)C)(F)F"	"IYHHRZBKXXKDDY-UHFFFAOYSA-N"	"InChI=1S/C17H22F2N4O3S2/c1-3-17(18,19)10-8-11(23-6-4-9(5-7-23)28(2,25)26)22-16-12(10)13(20)14(27-16)15(21)24/h8-9H,3-7,20H2,1-2H3,(H2,21,24)"	"yes"	""	""
"9715"	"BI 653048"	""	"Synthetic organic"	""	""	""	""	"348353674"	"44543970"	""	""	"CHEMBL3358954"	""	""	""	""	"(R)-2-(4-((5-(Ethylsulfonyl)-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-5-fluorobenzamide"	""	"(R)-39|BI 653048 BS H3PO4|BI-653048|BI653048"	"CCS(=O)(=O)c1ncc2c(c1)cc([nH]2)C[C@@](C(F)(F)F)(CC(c1ccc(cc1C(=O)N)F)(C)C)O"	"AUIFRJWXYUNPPV-QFIPXVFZSA-N"	"InChI=1S/C23H25F4N3O4S/c1-4-35(33,34)19-8-13-7-15(30-18(13)11-29-19)10-22(32,23(25,26)27)12-21(2,3)17-6-5-14(24)9-16(17)20(28)31/h5-9,11,30,32H,4,10,12H2,1-3H3,(H2,28,31)/t22-/m0/s1"	"yes"	""	""
"9716"	"BI 665915"	""	"Synthetic organic"	""	""	""	""	"348353675"	"66765019"	""	""	""	""	""	""	""	"2-[4-(3-{1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl}-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N,N-dimethylacetamide"	""	"BI-665915|compound 69 [PMID: 25671290]"	"O=C(N(C)C)Cn1ncc(c1)c1onc(n1)C(c1ccc(cc1)c1cnc(nc1)N)(C1CC1)C"	"QGPXEIMWTKWHMH-UHFFFAOYSA-N"	"InChI=1S/C24H26N8O2/c1-24(19-8-9-19,18-6-4-15(5-7-18)16-10-26-23(25)27-11-16)22-29-21(34-30-22)17-12-28-32(13-17)14-20(33)31(2)3/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27)"	"yes"	""	""
"9714"	"BI-6901"	""	"Synthetic organic"	""	""	""	""	"348353673"	"131801164"	""	""	""	""	""	""	""	"4-(2-cyano-1H-pyrrol-1-yl)-S-(1H-indol-4-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutane-2-sulfonamido"	""	"BI 6901|BI6901|eut-22"	"N#Cc1cccn1CC[C@H](C(=O)N1CCC(CC1)C)NS(=O)(=O)c1cccc2c1cc[nH]2"	"BRJXJOWXAFLRTE-OAQYLSRUSA-N"	"InChI=1S/C23H27N5O3S/c1-17-8-13-28(14-9-17)23(29)21(10-15-27-12-3-4-18(27)16-24)26-32(30,31)22-6-2-5-20-19(22)7-11-25-20/h2-7,11-12,17,21,25-26H,8-10,13-15H2,1H3/t21-/m1/s1"	"yes"	""	""
"9146"	"BI-7273"	""	"Synthetic organic"	""	""	""	""	"315661231"	"118796358"	""	""	""	""	""	""	""	"4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one"	""	""	"COc1cc(cc(c1CN(C)C)OC)c1cn(C)c(=O)c2c1ccnc2"	"RBUYFHLQNPJMQM-UHFFFAOYSA-N"	"InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3"	""	""	""
"12530"	"BI 749327"	""	"Synthetic organic"	""	""	""	""	"479821320"	"138377580"	""	""	""	""	""	""	""	"[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-[4-(trifluoromethyl)phenoxy]phenyl]methanone"	""	"BI-749327|BI749327"	"NC1=CC=C(N=N1)C2CCN(CC2)C(=O)C3=CC=C(OC4=CC=C(C=C4)C(F)(F)F)C=C3"	"RGYMFGHHIDRCBN-UHFFFAOYSA-N"	"InChI=1S/C23H21F3N4O2/c24-23(25,26)17-3-7-19(8-4-17)32-18-5-1-16(2-6-18)22(31)30-13-11-15(12-14-30)20-9-10-21(27)29-28-20/h1-10,15H,11-14H2,(H2,27,29)"	""	""	""
"12661"	"BI-847325"	""	"Synthetic organic"	""	""	""	""	"483123209"	"135567102"	""	""	""	""	""	""	""	"3-[3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indol-6-yl]-N-ethylprop-2-ynamide"	""	"BI 847325|BI847325"	"CCNC(=O)C#CC1=CC2=C(C=C1)C(=C(N2)O)C(=NC3=CC=C(C=C3)CN(C)C)C4=CC=CC=C4"	"OCUQMWSIGPQEMX-UHFFFAOYSA-N"	"InChI=1S/C29H28N4O2/c1-4-30-26(34)17-13-20-12-16-24-25(18-20)32-29(35)27(24)28(22-8-6-5-7-9-22)31-23-14-10-21(11-15-23)19-33(2)3/h5-12,14-16,18,32,35H,4,19H2,1-3H3,(H,30,34)"	""	""	""
"8950"	"BI-9564"	""	"Synthetic organic"	""	""	""	""	"310264731"	"117072549"	""	""	""	""	""	""	""	"4-{4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl}-2-methyl-1,2-dihydro-2,7-naphthyridin-1-one"	""	""	"COc1cc(CN(C)C)c(cc1c1cn(C)c(=O)c2c1ccnc2)OC"	"BJFSUDWKXGMUKA-UHFFFAOYSA-N"	"InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3"	""	""	""
"9001"	"BIA 10-2474"	""	"Synthetic organic"	""	""	""	""	"310264779"	"46831476"	""	""	""	""	""	""	""	"N-cyclohexyl-N-methyl-4-(1-oxidopyridin-1-ium-3-yl)imidazole-1-carboxamide"	""	"BIA-10-2474|BIA-102474|compound 8 l [PubMed: 30113139]|example 362 [WO2010074588]"	"[O-][n+]1cccc(c1)c1ncn(c1)C(=O)N(C1CCCCC1)C"	"DOWVMJFBDGWVML-UHFFFAOYSA-N"	"InChI=1S/C16H20N4O2/c1-18(14-7-3-2-4-8-14)16(21)19-11-15(17-12-19)13-6-5-9-20(22)10-13/h5-6,9-12,14H,2-4,7-8H2,1H3"	""	""	""
"9603"	"BIA 10-2639"	""	"Synthetic organic"	""	""	""	""	"340590233"	"66554294"	""	""	""	""	""	""	""	"N-cyclohexyl-N-methyl-4-pyridin-3-ylimidazole-1-carboxamide"	""	""	"CN(C(=O)n1cnc(c1)c1cccnc1)C1CCCCC1"	"DWCWWJONKWHPDD-UHFFFAOYSA-N"	"InChI=1S/C16H20N4O/c1-19(14-7-3-2-4-8-14)16(21)20-11-15(18-12-20)13-6-5-9-17-10-13/h5-6,9-12,14H,2-4,7-8H2,1H3"	""	""	""
"12022"	"biapenem"	""	"Synthetic organic"	"yes"	""	""	""	"464244163"	"71339"	""	""	"CHEMBL285347"	""	""	""	""	"(4R,5S,6S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate"	"biapenem"	"L-627|LJC10,627|Omegacin&reg;|RPX2003"	"C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC1Cn2cnc[n+]2C1)C(=O)[O-])[C@@H](C)O"	"MRMBZHPJVKCOMA-YJFSRANCSA-N"	"InChI=1S/C15H18N4O4S/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)24-9-3-17-5-16-6-18(17)4-9/h5-11,20H,3-4H2,1-2H3/t7-,8-,10-,11-/m1/s1"	""	""	"yes"
"8096"	"BIBF-1202"	""	"Synthetic organic"	""	""	""	""	"249565776"	"135461425"	""	""	""	""	""	""	""	"(3Z)-3-[[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]amino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylic acid"	""	"BIBF 1202"	"CN1CCN(CC1)CC(=O)N(c1ccc(cc1)N/C(=C/1\C(=O)Nc2c1ccc(c2)C(=O)O)/c1ccccc1)C"	"KEHNCEDHZGQSNP-DQSJHHFOSA-N"	"InChI=1S/C30H31N5O4/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-13-8-21(30(38)39)18-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)(H,38,39)/b28-27-"	""	""	""
"1528"	"BIBO3304"	""	"Synthetic organic"	""	""	""	""	"135649991"	"5311022"	""	""	"CHEMBL1774204"	""	""	""	""	"(2R)-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-[[2,2-di(phenyl)acetyl]amino]pentanamide"	""	""	"O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)CNC(=O)N"	"TVMJSGGZULFVCZ-XMMPIXPASA-N"	"InChI=1S/C29H35N7O3/c30-28(31)33-17-7-12-24(26(37)34-18-20-13-15-21(16-14-20)19-35-29(32)39)36-27(38)25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,34,37)(H,36,38)(H4,30,31,33)(H3,32,35,39)/t24-/m1/s1"	""	""	""
"1485"	"BIBP3226"	""	"Synthetic organic"	""	""	""	""	"135649992"	"5311023"	""	""	"CHEMBL332347"	""	""	""	""	"(2R)-5-(diaminomethylideneamino)-2-[[2,2-di(phenyl)acetyl]amino]-N-[(4-hydroxyphenyl)methyl]pentanamide"	""	"BIBP 3226"	"O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O"	"KUWBXRGRMQZCSS-HSZRJFAPSA-N"	"InChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)/t23-/m1/s1"	""	""	""
"7510"	"BIC1"	""	"Synthetic organic"	""	""	""	""	"187051812"	"672548"	""	""	"CHEMBL1738777"	""	""	""	""	"1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methylbenzimidazole-2-thione"	""	""	"Cn1c(=S)n(c2c1cccc2)CCSc1nc2c([nH]1)cccc2"	"KDPSGIFCBZTBEZ-UHFFFAOYSA-N"	"InChI=1S/C17H16N4S2/c1-20-14-8-4-5-9-15(14)21(17(20)22)10-11-23-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19)"	""	""	""
"2863"	"bicalutamide"	""	"Synthetic organic"	"yes"	""	""	""	"135649993"	"2375"	""	""	"CHEMBL409"	""	""	""	""	"N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide"	"bicalutamide"	"Calutide&reg;|Casodex&reg;"	"N#Cc1ccc(cc1C(F)(F)F)NC(=O)C(CS(=O)(=O)c1ccc(cc1)F)(O)C"	"LKJPYSCBVHEWIU-UHFFFAOYSA-N"	"InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)"	""	""	""
"11575"	"bictegravir"	""	"Synthetic organic"	"yes"	""	""	""	"441604947"	"90311989"	""	""	"CHEMBL3989866"	""	""	""	""	""	"bictegravir"	"GS-9883|GS9883"	"Fc1cc(F)c(c(c1)F)CNC(=O)c1cn2C[C@H]3O[C@@H]4CC[C@H](N3C(=O)c2c(c1=O)O)C4"	"SOLUWJRYJLAZCX-LYOVBCGYSA-N"	"InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1"	""	""	""
"2312"	"bicuculline"	""	"Natural product"	""	""	""	""	"135652669"	"10237"	""	""	"CHEMBL417990"	""	""	""	""	"(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one"	""	"bicuculline methiodide"	"CN1CCc2c([C@H]1[C@@H]1OC(=O)c3c1ccc1c3OCO1)cc1c(c2)OCO1"	"IYGYMKDQCDOMRE-ZWKOTPCHSA-N"	"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1"	""	""	""
"8038"	"BI-D1870"	""	"Synthetic organic"	""	""	""	""	"249565718"	"25023738"	""	""	"CHEMBL573107"	""	""	""	""	"2-(3,5-difluoro-4-hydroxyanilino)-5,7-dimethyl-8-(3-methylbutyl)-7H-pteridin-6-one"	""	""	"CC(CCN1C(C)C(=O)N(c2c1nc(nc2)Nc1cc(F)c(c(c1)F)O)C)C"	"DTEKTGDVSARYDS-UHFFFAOYSA-N"	"InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)"	""	""	""
"11742"	"bifemelane"	""	"Synthetic organic"	"yes"	""	""	""	"458923777"	"2377"	""	""	"CHEMBL1192517"	""	""	""	""	"4-(2-benzylphenoxy)-N-methylbutan-1-amine"	"bifemelane"	"Alnert&reg;|BP-N-methylbutylamine|Celeport&reg;|MCI-2016|MCI2016"	"CNCCCCOc1ccccc1Cc1ccccc1"	"QSQQPMHPCBLLGX-UHFFFAOYSA-N"	"InChI=1S/C18H23NO/c1-19-13-7-8-14-20-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-6,9-12,19H,7-8,13-15H2,1H3"	""	""	""
"9756"	"bifikafusp alfa"	""	"Antibody"	""	""	""	""	"354702229"	"0"	""	""	""	""	""	""	""	""	"bifikafusp alfa"	"Daramun (bifikafusp alfa and onfekafusp alfa)|Darleukin|L19-IL2|L19IL2|Nidlegy (bifikafusp alfa and onfekafusp alfa)"	""	""	""	"yes"	""	""
"3669"	"big dynorphin"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651636"	"155817447"	"O35417|P01213|P06300"	"ENSG00000101327"	""	""	""	""	""	""	""	"big dyn"	"CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C"	"VPZXNPNLCOYTOT-MBGMINRZSA-N"	"InChI=1S/C185H292N58O41/c1-14-104(12)150(241-164(268)125(57-38-80-210-184(202)203)222-156(260)123(55-36-78-208-182(198)199)226-167(271)131(85-101(6)7)233-168(272)133(87-106-41-18-15-19-42-106)217-145(252)97-213-143(250)95-215-152(256)115(190)86-109-60-64-112(245)65-61-109)177(281)230-128(58-39-81-211-185(204)205)178(282)243-82-40-59-139(243)174(278)229-119(51-28-32-74-188)159(263)231-129(83-99(2)3)165(269)223-118(50-27-31-73-187)158(262)236-136(91-111-94-212-116-48-25-24-47-114(111)116)171(275)238-138(93-147(254)255)173(277)237-137(92-142(193)249)172(276)228-126(68-70-140(191)247)161(265)219-117(49-26-30-72-186)154(258)221-124(56-37-79-209-183(200)201)160(264)234-132(90-110-62-66-113(246)67-63-110)153(257)216-96-144(251)214-98-146(253)218-134(88-107-43-20-16-21-44-107)169(273)232-130(84-100(4)5)166(270)225-122(54-35-77-207-181(196)197)155(259)220-121(53-34-76-206-180(194)195)157(261)227-127(69-71-141(192)248)162(266)235-135(89-108-45-22-17-23-46-108)170(274)224-120(52-29-33-75-189)163(267)239-148(102(8)9)175(279)240-149(103(10)11)176(280)242-151(105(13)244)179(283)284/h15-25,41-48,60-67,94,99-105,115,117-139,148-151,212,244-246H,14,26-40,49-59,68-93,95-98,186-190H2,1-13H3,(H2,191,247)(H2,192,248)(H2,193,249)(H,213,250)(H,214,251)(H,215,256)(H,216,257)(H,217,252)(H,218,253)(H,219,265)(H,220,259)(H,221,258)(H,222,260)(H,223,269)(H,224,274)(H,225,270)(H,226,271)(H,227,261)(H,228,276)(H,229,278)(H,230,281)(H,231,263)(H,232,273)(H,233,272)(H,234,264)(H,235,266)(H,236,262)(H,237,277)(H,238,275)(H,239,267)(H,240,279)(H,241,268)(H,242,280)(H,254,255)(H,283,284)(H4,194,195,206)(H4,196,197,207)(H4,198,199,208)(H4,200,201,209)(H4,202,203,210)(H4,204,205,211)/t104-,105+,115-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,148-,149-,150-,151-/m0/s1"	""	""	""
"6704"	"BigLEN"	"Mouse"	"Peptide"	""	""	""	""	"178103315"	"131648251"	"Q9QXV0"	"ENSMUSG00000039278"	""	""	""	""	""	""	""	"b-LEN|Big LEN|SAAS CT(25-40)"	"CC(C)C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O"	"IPOOBASOJFKEAK-GTJGPZIJSA-N"	"InChI=1S/C76H128N24O23/c1-37(2)31-42(77)60(108)89-46(22-24-58(105)106)64(112)93-48(34-57(79)104)66(114)95-50(35-101)67(115)96-51(36-102)72(120)98-28-12-18-53(98)69(117)91-45(21-23-56(78)103)61(109)87-41(8)70(118)97-27-11-17-52(97)68(116)86-40(7)59(107)88-43(15-9-25-84-75(80)81)62(110)90-44(16-10-26-85-76(82)83)63(111)92-47(32-38(3)4)65(113)94-49(33-39(5)6)71(119)99-29-13-19-54(99)73(121)100-30-14-20-55(100)74(122)123/h37-55,101-102H,9-36,77H2,1-8H3,(H2,78,103)(H2,79,104)(H,86,116)(H,87,109)(H,88,107)(H,89,108)(H,90,110)(H,91,117)(H,92,111)(H,93,112)(H,94,113)(H,95,114)(H,96,115)(H,105,106)(H,122,123)(H4,80,81,84)(H4,82,83,85)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1"	""	""	""
"9183"	"bihelical apoA-I mimetic peptide 5A"	""	"Peptide"	""	""	""	""	"315661263"	"121231406"	""	""	""	""	""	""	""	""	""	"5A peptide"	"[NH3]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C)CCC(=O)O)CCCC[NH3])C)CCCC[NH3])CCC(=O)O)C)C)CCCC[NH3])CC(=O)O)Cc1ccc(cc1)O)C)C)CCCC[NH3])C)Cc1c[nH]c2c1cccc2)CC(=O)O)Cc1ccccc1)C)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CC(=O)O)N)CC(C)C)CCCC[NH3])C)Cc1ccccc1)Cc1ccc(cc1)O)CC(=O)O)CCCC[NH3])C)CCC(=O)O)CCCC[NH3])CC(C)C"	"FOIYDQXBMQZAML-GNGNDROBSA-N"	"InChI=1S/C197H303N47O56/c1-101(2)87-140(235-180(282)134(59-34-42-84-204)225-182(284)139(73-77-155(253)254)223-167(269)113(16)218-195(297)160(103(5)6)243-183(285)135(60-35-43-85-205)229-192(294)148(97-158(259)260)240-189(291)144(91-118-64-68-122(246)69-65-118)237-187(289)142(89-115-45-20-18-21-46-115)232-169(271)111(14)215-175(277)130(55-30-38-80-200)226-186(288)141(88-102(3)4)236-190(292)146(234-171(273)125(206)95-156(255)256)94-120-100-208-127-52-27-25-50-124(120)127)185(287)228-133(58-33-41-83-203)179(281)231-137(71-75-153(249)250)177(279)216-112(15)170(272)242-150(92-116-47-22-19-23-48-116)196(298)244-86-44-61-151(244)194(296)241-149(98-159(261)262)193(295)238-145(93-119-99-207-126-51-26-24-49-123(119)126)184(286)217-110(13)166(268)220-128(53-28-36-78-198)172(274)211-104(7)162(264)210-108(11)168(270)233-143(90-117-62-66-121(245)67-63-117)188(290)239-147(96-157(257)258)191(293)227-131(56-31-39-81-201)174(276)212-105(8)161(263)209-107(10)164(266)222-138(72-76-154(251)252)181(283)224-129(54-29-37-79-199)173(275)214-109(12)165(267)221-132(57-32-40-82-202)178(280)230-136(70-74-152(247)248)176(278)213-106(9)163(265)219-114(17)197(299)300/h18-27,45-52,62-69,99-114,125,128-151,160,207-208,245-246H,28-44,53-61,70-98,206H2,1-17,198-205H3,(H,209,263)(H,210,264)(H,211,274)(H,212,276)(H,213,278)(H,214,275)(H,215,277)(H,216,279)(H,217,286)(H,218,297)(H,219,265)(H,220,268)(H,221,267)(H,222,266)(H,223,269)(H,224,283)(H,225,284)(H,226,288)(H,227,293)(H,228,287)(H,229,294)(H,230,280)(H,231,281)(H,232,271)(H,233,270)(H,234,273)(H,235,282)(H,236,292)(H,237,289)(H,238,295)(H,239,290)(H,240,291)(H,241,296)(H,242,272)(H,243,285)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,299,300)/t104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,125-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,160-/m0/s1"	"yes"	""	""
"9258"	"BIIB021"	""	"Synthetic organic"	""	""	""	""	"315661333"	"16736529"	""	""	"CHEMBL467399"	""	""	""	""	"6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]purin-2-amine"	""	""	"COc1c(C)cnc(c1C)Cn1cnc2c1nc(N)nc2Cl"	"QULDDKSCVCJTPV-UHFFFAOYSA-N"	"InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)"	""	""	""
"11178"	"BIIB068"	""	"Synthetic organic"	""	""	""	""	"434122238"	"118139356"	""	""	""	""	""	""	""	"N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide"	""	"BIIB-068|compound 1 [PMID: 32696648]"	"CC(OC1CN(C1)C(=O)NCc1ccc(cc1C)c1ccnc(n1)Nc1cnn(c1)C)C"	"BMWMKGNVAMXXCH-UHFFFAOYSA-N"	"InChI=1S/C23H29N7O2/c1-15(2)32-20-13-30(14-20)23(31)25-10-18-6-5-17(9-16(18)3)21-7-8-24-22(28-21)27-19-11-26-29(4)12-19/h5-9,11-12,15,20H,10,13-14H2,1-4H3,(H,25,31)(H,24,27,28)"	"yes"	""	""
"13420"	"BIIB129"	""	"Synthetic organic"	""	""	""	""	"496703390"	"163301394"	""	""	""	""	""	""	""	"N-methyl-N-[3-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide"	""	"BIIB-129|compound 25 [PMID: 38712838]"	"N12N=CC=C1C(=NC(=C2)C3=CN(N=C3)C)O[C@@]4(C[C@@H](C4)N(C)C(=O)C=C)C"	"WBFSPPPOPIJCLF-DHFPXDALSA-N"	"InChI=1S/C19H22N6O2/c1-5-17(26)24(4)14-8-19(2,9-14)27-18-16-6-7-20-25(16)12-15(22-18)13-10-21-23(3)11-13/h5-7,10-12,14H,1,8-9H2,2-4H3/t14-,19+"	""	""	""
"1547"	"BIIE0246"	""	"Synthetic organic"	""	""	""	""	"135649994"	"9811493"	""	""	"CHEMBL540989"	""	""	""	""	"(2S)-5-(diaminomethylideneamino)-N-[2-[3,5-dioxo-1,2-di(phenyl)-1,2,4-triazolidin-4-yl]ethyl]-2-[[2-[1-[2-oxo-2-[4-(6-oxo-5,11-dihydrobenzo[c][2]benzazepin-11-yl)piperazin-1-yl]ethyl]cyclopentyl]acetyl]amino]pentanamide"	""	"BIIE 0246|BIIE-0246"	"NC(=NCCC[C@@H](C(=O)NCCn1c(=O)n(n(c1=O)c1ccccc1)c1ccccc1)NC(=O)CC1(CCCC1)CC(=O)N1CCN(CC1)C1c2ccccc2NC(=O)c2c1cccc2)N"	"RSJAXPUYVJKAAA-JPGJPTAESA-N"	"InChI=1S/C49H57N11O6/c50-46(51)53-25-13-22-40(45(64)52-26-27-58-47(65)59(34-14-3-1-4-15-34)60(48(58)66)35-16-5-2-6-17-35)54-41(61)32-49(23-11-12-24-49)33-42(62)56-28-30-57(31-29-56)43-36-18-7-8-19-37(36)44(63)55-39-21-10-9-20-38(39)43/h1-10,14-21,40,43H,11-13,22-33H2,(H,52,64)(H,54,61)(H,55,63)(H4,50,51,53)/t40-,43?/m0/s1"	""	""	""
"6154"	"BIIL 260"	""	"Synthetic organic"	""	""	""	""	"178102775"	"9956189"	""	""	""	""	""	""	""	"4-[(3-{4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxymethyl}phenyl)methoxy]benzene-1-carboximidamide"	""	"BIIL-260|BIIL260"	"Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C"	"MBLJFKQACMILLC-UHFFFAOYSA-N"	"InChI=1S/C30H30N2O3/c1-30(2,24-8-12-26(33)13-9-24)25-10-16-28(17-11-25)35-20-22-5-3-4-21(18-22)19-34-27-14-6-23(7-15-27)29(31)32/h3-18,33H,19-20H2,1-2H3,(H3,31,32)"	""	""	""
"13066"	"biKEAP1"	""	"Synthetic organic"	""	""	""	""	"491299848"	"170453274"	""	""	""	""	""	""	""	"2-(N-{4-[4-(3-{[3-(3-{[4-({4-[N-(carboxymethyl)-4-methoxybenzenesulfonamido]naphthalen-1-yl}sulfamoyl)phenyl]carbamoyl}propanamido)propyl]carbamoyl}propanamido)benzenesulfonamido]naphthalen-1-yl}-4-methoxybenzenesulfonamido)acetic acid"	""	"compound 3 [PMID:  38157852]"	"COC1=CC=C(C=C1)S(=O)(=O)N(CC(O)=O)C2=CC=C(NS(=O)(=O)C3=CC=C(NC(=O)CCC(=O)NCCCNC(=O)CCC(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=C6C=CC=CC6=C(C=C5)N(CC(O)=O)S(=O)(=O)C7=CC=C(OC)C=C7)C=C3)C8=C2C=CC=C8"	"FDJKCJCMGLIPES-UHFFFAOYSA-N"	"InChI=1S/C61H60N8O18S4/c1-86-42-16-24-46(25-17-42)90(82,83)68(38-60(74)75)54-30-28-52(48-8-3-5-10-50(48)54)66-88(78,79)44-20-12-40(13-21-44)64-58(72)34-32-56(70)62-36-7-37-63-57(71)33-35-59(73)65-41-14-22-45(23-15-41)89(80,81)67-53-29-31-55(51-11-6-4-9-49(51)53)69(39-61(76)77)91(84,85)47-26-18-43(87-2)19-27-47/h3-6,8-31,66-67H,7,32-39H2,1-2H3,(H,62,70)(H,63,71)(H,64,72)(H,65,73)(H,74,75)(H,76,77)"	""	""	""
"11579"	"bilastine"	""	"Synthetic organic"	"yes"	""	""	""	"441604951"	"185460"	""	""	"CHEMBL1742423"	""	""	""	""	"2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid"	"bilastine"	"Bilaxten&reg;|Ilaxten&reg;"	"CCOCCn1c(nc2c1cccc2)C1CCN(CC1)CCc1ccc(cc1)C(C(=O)O)(C)C"	"ACCMWZWAEFYUGZ-UHFFFAOYSA-N"	"InChI=1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)"	""	""	""
"4577"	"bilirubin"	""	"Metabolite"	""	""	""	""	"178101298"	"5280352"	""	""	"CHEMBL501680"	""	""	""	""	"3-(2-{[3-(2-carboxyethyl)-5-{[(2Z)-3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid"	""	""	"C=CC1=C(C)/C(=C/c2[nH]c(c(c2C)CCC(=O)O)Cc2[nH]c(c(c2CCC(=O)O)C)/C=C/2\NC(=O)C(=C2C=C)C)/NC1=O"	"BPYKTIZUTYGOLE-IFADSCNNSA-N"	"InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-"	""	""	""
"5153"	"biliverdin"	""	"Metabolite"	""	""	""	""	"178101845"	"5353439"	""	""	"CHEMBL455477"	""	""	""	""	"3-[2-[(Z)-[(5E)-3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-2-ylidene]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid"	""	""	"C=CC1=C(C)C(=NC1=O)/C=c\1/[nH]/c(=C\c2[nH]c(c(c2CCC(=O)O)C)/C=C/2\NC(=O)C(=C2C=C)C)/c(c1C)CCC(=O)O"	"RCNSAJSGRJSBKK-YKSNQIBWSA-N"	"InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13+,27-14-,28-15-"	""	""	""
"2366"	"bilobalide"	""	"Natural product"	""	""	""	""	"135652670"	"73581"	""	""	"CHEMBL1318117"	""	""	""	""	"(1S,4R,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.0^{1,11}.0^{4,8}]tetradecane-2,6,13-trione"	""	""	"O=C1O[C@@H]2[C@@]3(C1)C(=O)O[C@H]1[C@]3([C@](C2)(O)C(C)(C)C)[C@@H](O)C(=O)O1"	"MOLPUWBMSBJXER-YDGSQGCISA-N"	"InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13-,14+,15+/m0/s1"	""	""	""
"10518"	"bilorphin"	""	"Synthetic organic"	""	""	""	""	"387065600"	"139593559"	""	""	""	""	""	""	""	""	""	"peptide 3c [PMID: 31611414]"	"Oc1cc(C)c(c(c1)C)C[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N)Cc1ccccc1)C(C)C)C(C)C)N"	"IYNDNOATOVLHNV-POTDNYQPSA-N"	"InChI=1S/C30H43N5O5/c1-16(2)25(29(39)33-24(27(32)37)14-20-10-8-7-9-11-20)35-30(40)26(17(3)4)34-28(38)23(31)15-22-18(5)12-21(36)13-19(22)6/h7-13,16-17,23-26,36H,14-15,31H2,1-6H3,(H2,32,37)(H,33,39)(H,34,38)(H,35,40)/t23-,24-,25-,26+/m1/s1"	""	""	""
"2032"	"BIM 23023"	""	"Peptide"	""	""	""	""	"135652023"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2033"	"BIM 23027"	""	"Peptide"	""	""	""	""	"135652024"	"0"	""	""	""	""	""	""	""	""	""	"BIM23027"	""	""	""	""	""	""
"2034"	"BIM 23030"	""	"Peptide"	""	""	""	""	"135652025"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2035"	"BIM 23034"	""	"Peptide"	""	""	""	""	"135652026"	"0"	""	""	""	""	""	""	""	""	""	"DC 13-212"	""	""	""	""	""	""
"2003"	"BIM 23050"	""	"Peptide"	""	""	""	""	"135652027"	"0"	""	""	""	""	""	""	""	""	""	"BIM-23050"	""	""	""	""	""	""
"2004"	"BIM 23052"	""	"Peptide"	""	""	""	""	"135652028"	"0"	""	""	""	""	""	""	""	""	""	"BIM-23052|BIM23052|DC-(23-99)"	""	""	""	""	""	""
"2036"	"BIM 23056"	""	"Peptide"	""	""	""	""	"135652029"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2068"	"BIM 23058"	""	"Peptide"	""	""	""	""	"135652030"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2037"	"BIM 23059"	""	"Peptide"	""	""	""	""	"135652031"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2038"	"BIM 23060"	""	"Peptide"	""	""	""	""	"135652032"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2039"	"BIM 23066"	""	"Peptide"	""	""	""	""	"135652033"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2040"	"BIM 23068"	""	"Peptide"	""	""	""	""	"135652034"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2162"	"BIM 23127"	""	"Peptide"	""	""	""	""	"135652035"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2041"	"BIM 23197"	""	"Peptide"	""	""	""	""	"135652036"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2083"	"BIM 23268"	""	"Peptide"	""	""	""	""	"135652037"	"5311026"	""	""	""	""	""	""	""	"(4R,7S,10S,13S,16R,19S,22S,25R)-25-amino-13-(4-aminobutyl)-10-(1-hydroxyethyl)-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-7,19,22-tris(phenylmethyl)-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxamide"	""	"BIM23268"	"NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)Cc1ccccc1)C(=O)N)Cc1c[nH]c2c1cccc2"	"JNMPZUZCPFIJGJ-OCZUONHDSA-N"	"InChI=1S/C54H67N11O9S2/c1-32(66)46-54(74)63-43(27-35-19-9-4-10-20-35)52(72)64-45(47(57)67)31-76-75-30-38(56)48(68)60-41(25-33-15-5-2-6-16-33)50(70)61-42(26-34-17-7-3-8-18-34)51(71)62-44(28-36-29-58-39-22-12-11-21-37(36)39)53(73)59-40(49(69)65-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,58,66H,13-14,23-28,30-31,55-56H2,1H3,(H2,57,67)(H,59,73)(H,60,68)(H,61,70)(H,62,71)(H,63,74)(H,64,72)(H,65,69)/t32-,38+,40+,41+,42+,43+,44-,45+,46+/m1/s1"	""	""	""
"2069"	"BIM 23295"	""	"Peptide"	""	""	""	""	"135652038"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2084"	"BIM 23313"	""	"Peptide"	""	""	""	""	"135652039"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2026"	"BIM 23454"	""	"Peptide"	""	""	""	""	"135652040"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2027"	"BIM 23627"	""	"Peptide"	""	""	""	""	"135652041"	"0"	""	""	""	""	""	""	""	""	""	"H-5886|MW 1164"	""	""	""	""	""	""
"3857"	"BIM28011"	""	"Peptide"	""	""	""	""	"178100696"	"0"	""	""	""	""	""	""	""	""	""	"[D-Ala<sup>2</sup>,Ala<sup>8,9,15,27</sup>,D-Arg<sup>29</sup>]hGHRH(1-29)NH<sub>2</sub>|BIM 28011"	""	""	""	""	""	""
"1101"	"BIM 28163"	""	"Peptide"	""	""	""	""	"135652042"	"0"	""	""	""	""	""	""	""	""	""	"BIM-28163"	""	""	""	""	""	""
"8086"	"bimagrumab"	""	"Antibody"	""	""	""	""	"249565766"	"0"	""	""	""	""	""	""	""	""	"bimagrumab"	"BYM-338|BYM338"	""	""	""	""	""	""
"1958"	"bimatoprost"	""	"Synthetic organic"	"yes"	""	""	""	"135649995"	"5311027"	""	""	"CHEMBL1200963"	""	""	""	""	"(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide"	"bimatoprost"	"AGN 192024|LS-181817|Lumigan&reg;"	"CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O"	"AQOKCDNYWBIDND-FTOWTWDKSA-N"	"InChI=1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,23-,24+/m0/s1"	""	""	""
"1959"	"bimatoprost (free acid form)"	""	"Synthetic organic"	""	""	""	""	"135649996"	"5283081"	""	""	""	""	""	""	""	"(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid"	""	"17-phenyl-<i>&omega;</i>-trinor-PGF<sub>2&alpha;</sub>"	"OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O"	"YFHHIZGZVLHBQZ-KDACTHKWSA-N"	"InChI=1S/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,21-,22+/m0/s1"	""	""	""
"9411"	"bimekizumab"	""	"Antibody"	"yes"	""	""	""	"328083513"	"0"	""	""	""	""	""	""	""	""	"bimekizumab"	"bimekizumab-bkzx|Bimzelx&reg;|CA028_0496|CDP4940|gL7gH9|UCB-4940|UCB4940|Zu-G1"	""	""	""	"yes"	""	""
"8383"	"bimiralisib"	""	"Synthetic organic"	""	""	""	""	"252166595"	"58507717"	""	""	""	""	""	""	""	"5-[bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine"	"bimiralisib"	"PQR-309|PQR309"	"Nc1ncc(c(c1)C(F)(F)F)c1nc(nc(n1)N1CCOCC1)N1CCOCC1"	"ADGGYDAFIHSYFI-UHFFFAOYSA-N"	"InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)"	""	""	""
"9049"	"bimosiamose"	""	"Synthetic organic"	""	""	""	""	"315661134"	"9811353"	""	""	"CHEMBL1215923"	""	""	""	""	"2-[3-[5-[6-[3-[3-(carboxymethyl)phenyl]-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hexyl]-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid"	"bimosiamose"	"compound 15e [PMID: 9544210]|TBC 1269|TBC-1269|TBC1269"	"OC[C@H]1O[C@H](Oc2ccc(cc2c2cccc(c2)CC(=O)O)CCCCCCc2ccc(c(c2)c2cccc(c2)CC(=O)O)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)[C@H]([C@H]([C@@H]1O)O)O"	"RYWCQJDEHXJHRI-XJMXIVSISA-N"	"InChI=1S/C46H54O16/c47-23-35-39(53)41(55)43(57)45(61-35)59-33-15-13-25(19-31(33)29-11-5-9-27(17-29)21-37(49)50)7-3-1-2-4-8-26-14-16-34(60-46-44(58)42(56)40(54)36(24-48)62-46)32(20-26)30-12-6-10-28(18-30)22-38(51)52/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41+,42+,43+,44+,45+,46+/m1/s1"	"yes"	""	""
"233"	"BIMU 1"	""	"Synthetic organic"	""	""	""	""	"135649997"	"9929033"	""	""	""	""	""	""	""	"33-ethyl-N-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxobenzimidazole-1-carboxamide"	""	"BIMU-1|BIMU1"	"CCn1c(=O)n(c2c1cccc2)C(=O)NC1CC2CC[C@@H](C1)N2C"	"MZRKHUUDDHJVHS-MOKVOYLWSA-N"	"InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)/t12?,13-,14?/m0/s1"	""	""	""
"234"	"BIMU 8"	""	"Synthetic organic"	""	""	""	""	"135649998"	"5311029"	""	""	""	""	""	""	""	"N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide"	""	"BIMU-8|BIMU8"	"CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)n1c(=O)n(c2c1cccc2)C(C)C"	"AFOFVIBWSLOHFR-GOOCMWNKSA-N"	"InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)/t13?,14-,15+"	""	""	""
"11124"	"bindarit"	""	"Synthetic organic"	""	""	""	""	"434122184"	"71354"	""	""	"CHEMBL2107549"	""	""	""	""	"2-[(1-benzylindazol-3-yl)methoxy]-2-methylpropanoic acid"	"bindarit"	"AF-2838|AF2838"	"OC(=O)C(OCc1nn(c2c1cccc2)Cc1ccccc1)(C)C"	"MTHORRSSURHQPZ-UHFFFAOYSA-N"	"InChI=1S/C19H20N2O3/c1-19(2,18(22)23)24-13-16-15-10-6-7-11-17(15)21(20-16)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)"	"yes"	""	""
"7921"	"binimetinib"	""	"Synthetic organic"	"yes"	""	""	""	"249565604"	"10288191"	""	""	"CHEMBL3187723"	""	""	""	""	"6-[(4-bromo-2-fluorophenyl)amino]-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide"	"binimetinib"	"ARRY 162|ARRY-162|ARRY-438162|MEK-162|MEK162|Mektovi&reg;"	"OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1F)Br)F"	"ACWZRVQXLIRSDF-UHFFFAOYSA-N"	"InChI=1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)"	""	""	""
"5595"	"binodenoson"	""	"Synthetic organic"	""	""	""	""	"178102230"	"9576912"	""	""	"CHEMBL1950554"	""	""	""	""	"(2R,3R,4S,5R)-2-[6-amino-2-((2E)-2-(cyclohexylmethylidene)hydrazinyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	"binodenoson"	"WRC-0470"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N/N=C/C1CCCCC1)nc2N"	"XJFMHMFFBSOEPR-DNZQAUTHSA-N"	"InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h6,8-10,12-13,16,25-27H,1-5,7H2,(H3,18,21,22,23)/b20-6+/t10-,12-,13-,16-/m1/s1"	""	""	""
"11376"	"bintrafusp alfa"	""	"Antibody"	""	""	""	""	"440816745"	"0"	""	""	""	""	""	""	""	""	"bintrafusp alfa"	"M7824|MSB0011359C"	""	""	""	"yes"	""	""
"11987"	"BIO101"	""	"Natural product"	""	""	""	""	"464244128"	"5459840"	""	""	""	""	""	""	""	""	""	"20-Hydroxyecdysone|beta-Ecdysone|Crustecdysone|Ecdysterone|Sarconeos"	"C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O"	"NKDFYOWSKOHCCO-YPVLXUMRSA-N"	"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1"	""	""	""
"6589"	"BIO1211"	""	"Peptide"	""	""	""	""	"178103202"	"9961766"	""	""	"CHEMBL88478"	""	""	""	""	""	""	"BIO 1211|BIO-1211"	"CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C)CC(=O)O)NC(=O)Cc1ccc(cc1)NC(=O)Nc1ccccc1C)C"	"NVVGCQABIHSJSQ-KFZSMJGVSA-N"	"InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1"	""	""	""
"11590"	"BIO-32546"	""	"Synthetic organic"	""	""	""	""	"442878624"	"90027494"	""	""	""	""	""	""	""	"8-[(1S)-1-[8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid"	""	"BIO32546|example 12a  [WO2014018881A1]"	"OC(=O)C1CC2CCC(C1)N2[C@H](c1ccc2c(c1)c(c(cc2)OC1CCC(CC1)C(F)(F)F)C(F)(F)F)C"	"PZASAAIJIFDWSB-CKPDSHCKSA-N"	"InChI=1S/C28H31F6NO3/c1-15(35-20-7-8-21(35)13-18(12-20)26(36)37)17-3-2-16-4-11-24(25(23(16)14-17)28(32,33)34)38-22-9-5-19(6-10-22)27(29,30)31/h2-4,11,14-15,18-22H,5-10,12-13H2,1H3,(H,36,37)/t15-,18?,19?,20?,21?,22?/m0/s1"	""	""	""
"13341"	"BIO-7488"	""	"Synthetic organic"	""	""	""	""	"496703311"	"155437283"	""	""	""	""	""	""	""	"2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide"	""	"BIO7488"	"CC1=CN2C(=C(C=N2)NC(=O)C3=CN4C=C(N=C4N=C3OC(C)C)C56CC(C5)(OC6)C)N=C1"	"DEQCXGYERMCXNL-UHFFFAOYSA-N"	"InChI=1S/C23H25N7O3/c1-13(2)33-20-15(19(31)26-16-6-25-30-7-14(3)5-24-18(16)30)8-29-9-17(27-21(29)28-20)23-10-22(4,11-23)32-12-23/h5-9,13H,10-12H2,1-4H3,(H,26,31)"	"yes"	""	""
"13355"	"BIO-8169"	""	"Synthetic organic"	""	""	""	""	"496703325"	"164554747"	""	""	""	""	""	""	""	"N-(1-cyclopropyl-2-oxopyridin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide"	""	"BIO8169|compound 2 [PMID: 38695469]"	"CC(C)OC1=NC2=NC(C34COC(C3)(C)C4)=CN2C=C1C(NC5=CC=CN(C6CC6)C5=O)=O"	"JJZLDWBCAMPSMG-UHFFFAOYSA-N"	"InChI=1S/C24H27N5O4/c1-14(2)33-20-16(19(30)25-17-5-4-8-29(21(17)31)15-6-7-15)9-28-10-18(26-22(28)27-20)24-11-23(3,12-24)32-13-24/h4-5,8-10,14-15H,6-7,11-13H2,1-3H3,(H,25,30)"	"yes"	""	""
"2829"	"biochanin A"	""	"Natural product"	""	""	""	""	"135649823"	"5280373"	""	""	"CHEMBL131921"	""	""	""	""	"5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one"	""	"4'-methylgenistein"	"COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O"	"WUADCCWRTIWANL-UHFFFAOYSA-N"	"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3"	""	""	""
"4787"	"biotin"	""	"Metabolite"	""	""	""	""	"178101489"	"171548"	""	""	"CHEMBL857"	""	""	""	""	"5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanoic acid"	"biotin"	""	"OC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2"	"YBJHBAHKTGYVGT-ZKWXMUAHSA-N"	"InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1"	""	""	""
"7128"	"biperiden"	""	"Synthetic organic"	"yes"	""	""	""	"178103704"	"2381"	""	""	"CHEMBL1101"	""	""	""	""	"1-{bicyclo[2.2.1]hept-5-en-2-yl}-1-phenyl-3-(piperidin-1-yl)propan-1-ol"	"biperiden"	"Akineton&reg;|biperiden HCl|biperiden lactate"	"OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1"	"YSXKPIUOCJLQIE-UHFFFAOYSA-N"	"InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2"	""	""	""
"3954"	"biphenylindanone A"	""	"Synthetic organic"	""	""	""	""	"178100781"	"9868580"	""	""	"CHEMBL593013"	""	""	""	""	"4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid"	""	"BINA|LS-193,571"	"Cc1c(OCc2cccc(c2)c2ccc(cc2)C(=O)O)cc2c(c1C)C(=O)C(C2)C1CCCC1"	"KMKBEESNZAPKMP-UHFFFAOYSA-N"	"InChI=1S/C30H30O4/c1-18-19(2)28-25(15-26(29(28)31)22-7-3-4-8-22)16-27(18)34-17-20-6-5-9-24(14-20)21-10-12-23(13-11-21)30(32)33/h5-6,9-14,16,22,26H,3-4,7-8,15,17H2,1-2H3,(H,32,33)"	""	""	""
"8359"	"birabresib"	""	"Synthetic organic"	""	""	""	""	"252166571"	"9936746"	""	""	""	""	""	""	""	"2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f]-[1, 2, 4] triazolo [4,3-a] [1, 4] diazepin-6-yl]-N-(4-hydroxyphenyl)-acetamide dehydrate"	"birabresib"	"MK-8628|OTX-015|OTX015"	"O=C(C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C)Nc1ccc(cc1)O"	"GNMUEVRJHCWKTO-FQEVSTJZSA-N"	"InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1"	""	""	""
"13735"	"birelentinib"	""	"Synthetic organic"	""	""	""	""	"507750368"	"156565109"	""	""	""	""	""	""	""	"[(2S,5S)-5-[4-amino-5-[4-(2,3-difluorophenoxy)phenyl]imidazo[5,1-f][1,2,4]triazin-7-yl]oxan-2-yl]methanol"	"birelentinib"	"compound 14 [WO2021136219A1]|DZD-8586|DZD8586"	"NC1=NC=NN2C1=C(N=C2[C@@H]3CC[C@H](OC3)CO)C4=CC=C(C=C4)OC5=C(C(=CC=C5)F)F"	"NQJKXHPWHYRGST-ZBFHGGJFSA-N"	"InChI=1S/C23H21F2N5O3/c24-17-2-1-3-18(19(17)25)33-15-7-4-13(5-8-15)20-21-22(26)27-12-28-30(21)23(29-20)14-6-9-16(10-31)32-11-14/h1-5,7-8,12,14,16,31H,6,9-11H2,(H2,26,27,28)/t14-,16+/m1/s1"	""	""	""
"14404"	"bireociclib"	""	"Synthetic organic"	"yes"	""	""	""	"523352196"	"91820696"	""	""	""	""	""	""	""	"5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]pyrimidin-2-amine"	""	"Xuan Yuening&reg; (China)|XZP-3287|XZP3287"	"CCN1CCN(CC1)CC2=CN=C(N=C2)NC3=NC=C(C(=C3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F"	"CMOYPFUEZDEQEH-UHFFFAOYSA-N"	"InChI=1S/C27H32F2N8/c1-5-35-6-8-36(9-7-35)16-19-13-31-27(32-14-19)34-25-12-21(23(29)15-30-25)20-10-22(28)26-24(11-20)37(17(2)3)18(4)33-26/h10-15,17H,5-9,16H2,1-4H3,(H,30,31,32,34)"	""	""	""
"11741"	"biricodar"	""	"Synthetic organic"	""	""	""	""	"458923776"	"3037617"	""	""	"CHEMBL350775"	""	""	""	""	"1,7-dipyridin-3-ylheptan-4-yl (2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate"	"biricodar"	"Incel&reg;|VX-710|VX710"	"COc1cc(cc(c1OC)OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1cnccc1)CCCc1cnccc1"	"CGVWPQOFHSAKRR-NDEPHWFRSA-N"	"InChI=1S/C34H41N3O7/c1-41-29-20-26(21-30(42-2)32(29)43-3)31(38)33(39)37-19-5-4-16-28(37)34(40)44-27(14-6-10-24-12-8-17-35-22-24)15-7-11-25-13-9-18-36-23-25/h8-9,12-13,17-18,20-23,27-28H,4-7,10-11,14-16,19H2,1-3H3/t28-/m0/s1"	""	""	""
"7432"	"birinapant"	""	"Synthetic organic"	""	""	""	""	"178104004"	"49836020"	""	""	"CHEMBL3039522"	""	""	""	""	"(2S)-N-[(2S)-1-[(2R,4S)-2-[[6-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-hydroxy-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide"	"birinapant"	"TL 32711|TL-32711|TL32711"	"CC[C@@H](C(=O)N1C[C@H](C[C@H]1Cc1c([nH]c2c1ccc(c2)F)c1[nH]c2c(c1C[C@@H]1C[C@@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC)C)CC)O)ccc(c2)F)O)NC(=O)[C@@H](NC)C"	"PKWRMUKBEYJEIX-DXXQBUJASA-N"	"InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1"	""	""	""
"9720"	"BIRT 377"	""	"Synthetic organic"	""	""	""	""	"348353679"	"9803375"	""	""	"CHEMBL367808"	""	""	""	""	"(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione"	""	"BIRT-377"	"Brc1ccc(cc1)C[C@@]1(C)N(C)C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl"	"FJNJHZQMQRVZEE-GOSISDBHSA-N"	"InChI=1S/C18H15BrCl2N2O2/c1-18(10-11-3-5-12(19)6-4-11)16(24)23(17(25)22(18)2)15-8-13(20)7-14(21)9-15/h3-9H,10H2,1-2H3/t18-/m1/s1"	"yes"	""	""
"9572"	"Bis1"	""	"Natural product"	""	""	""	""	"336446958"	"101500806"	""	""	""	""	""	""	""	"(2S)-1-[N-[[(4S)-2-[(2S)-1-(N-Pivaloyl-L-Ala-N-methyl-3-bromo-D-Tyr-)-4alpha-methylpyrrolidine-2alpha-yl]-2-thiazoline-4beta-yl]carbonyl]-D-Leu-N-methyl-L-Phe-]-2alpha-propanoylpyrrolidine"	""	"Tz‐BBA"	"CCC(=O)[C@@H]1CCCN1C(=O)[C@@H](N(C(=O)[C@H](NC(=O)[C@H]1CSC(=N1)[C@@H]1C[C@@H](CN1C(=O)[C@H](N(C(=O)[C@@H](NC(=O)C(C)(C)C)C)C)Cc1ccc(c(c1)Br)O)C)CC(C)C)C)Cc1ccccc1"	"ADHYVMBQQIBLSN-WQGIEDEVSA-N"	"InChI=1S/C50H70BrN7O8S/c1-11-41(59)37-18-15-21-57(37)47(64)39(25-32-16-13-12-14-17-32)56(10)46(63)35(22-29(2)3)53-43(61)36-28-67-44(54-36)38-23-30(4)27-58(38)48(65)40(26-33-19-20-42(60)34(51)24-33)55(9)45(62)31(5)52-49(66)50(6,7)8/h12-14,16-17,19-20,24,29-31,35-40,60H,11,15,18,21-23,25-28H2,1-10H3,(H,52,66)(H,53,61)/t30-,31-,35+,36+,37-,38-,39-,40+/m0/s1"	""	""	""
"2502"	"bisandrographolide"	""	"Natural product"	""	""	""	""	"53801077"	"12000062"	""	""	""	""	""	""	""	"3-[(E)-2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-5-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-(2-oxo-5H-furan-3-yl)ethyl]-5H-furan-2-one"	""	""	"OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2/C=C/C1=CC(OC1=O)C(C1=CCOC1=O)C[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CC[C@H]([C@@]2(C)CO)O)C"	"WQHWOZANSOUSAY-LZBAHHAZSA-N"	"InChI=1S/C40H56O8/c1-23-7-11-31-37(3,16-13-33(43)39(31,5)21-41)28(23)10-9-25-19-30(48-35(25)45)27(26-15-18-47-36(26)46)20-29-24(2)8-12-32-38(29,4)17-14-34(44)40(32,6)22-42/h9-10,15,19,27-34,41-44H,1-2,7-8,11-14,16-18,20-22H2,3-6H3/b10-9+/t27?,28-,29-,30?,31+,32+,33-,34-,37+,38+,39+,40+/m1/s1"	""	""	""
"5937"	"bisindolylmaleimide IV"	""	"Synthetic organic"	""	""	""	""	"178102560"	"2399"	""	""	"CHEMBL266487"	""	""	""	""	"3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione"	""	"arcyriarubin A|BIM IV|Ro-31-6233|RO-316233"	"O=C1NC(=O)C(=C1c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2"	"DQYBRTASHMYDJG-UHFFFAOYSA-N"	"InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)"	""	""	""
"7129"	"bisoprolol"	""	"Synthetic organic"	"yes"	""	""	""	"178103705"	"2405"	""	""	"CHEMBL645"	""	""	""	""	"[2-hydroxy-3-(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)propyl](propan-2-yl)amine"	"bisoprolol"	"CL-297939|EMD-33512|Zebeta&reg;"	"OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C"	"VHYCDWMUTMEGQY-UHFFFAOYSA-N"	"InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3"	""	""	""
"7865"	"bisphenol A"	""	"Synthetic organic"	""	""	""	""	"223366195"	"6623"	""	""	"CHEMBL418971"	""	""	""	""	"4-[2-(4-hydroxyphenyl)propan-2-yl]phenol"	""	"BPA"	"CC(c1ccc(cc1)O)(c1ccc(cc1)O)C"	"IISBACLAFKSPIT-UHFFFAOYSA-N"	"InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3"	""	""	""
"6537"	"bis-triazole derivative 10"	""	"Synthetic organic"	""	""	""	""	"178103151"	"56599309"	""	""	"CHEMBL2016873"	""	""	""	""	""	""	""	"O=C([C@H]1NC(=O)[C@@H](Cc2nnn(c2)Cc2cc(Cn3cc(C1)nn3)ccc2)NS(=O)(=O)Cc1ccccc1)NCc1ccc(cc1)C(=N)N"	"BKSCOHJNKDJECO-XZWHSSHBSA-N"	"InChI=1S/C33H35N11O4S/c34-31(35)26-11-9-22(10-12-26)16-36-32(45)29-14-27-19-43(41-38-27)17-24-7-4-8-25(13-24)18-44-20-28(39-42-44)15-30(33(46)37-29)40-49(47,48)21-23-5-2-1-3-6-23/h1-13,19-20,29-30,40H,14-18,21H2,(H3,34,35)(H,36,45)(H,37,46)/t29-,30+/m0/s1"	""	""	""
"2338"	"bithionol"	""	"Synthetic organic"	""	""	""	""	"135649999"	"2406"	""	""	"CHEMBL290106"	""	""	""	""	"2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol"	"bithionol"	"Inh 2 [PMID: 32284327]"	"Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O"	"JFIOVJDNOJYLKP-UHFFFAOYSA-N"	"InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H"	""	""	""
"7546"	"bitopertin"	""	"Synthetic organic"	""	""	""	""	"223365882"	"24946690"	""	""	""	""	""	""	""	"[4-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone"	"bitopertin"	"DISC-1459|DISC1459|paliflutine|RG1678|RO-4917838"	"Fc1cc(cnc1N1CCN(CC1)C(=O)c1cc(ccc1O[C@H](C(F)(F)F)C)S(=O)(=O)C)C(F)(F)F"	"YUUGYIUSCYNSQR-LBPRGKRZSA-N"	"InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1"	""	""	""
"6470"	"bivalirudin"	""	"Peptide"	"yes"	""	""	""	"178103084"	"16129704"	""	""	"CHEMBL2103749"	""	""	""	""	"(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-(2-{2-[2-(2-{[(2S)-1-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}acetamido)acetamido]acetamido}acetamido)-3-carbamoylpropanamido]acetamido}-3-carboxypropanamido]-3-phenylpropanamido]-4-carboxybutanamido]-4-{[(2S,3S)-1-[(2S)-2-{[(1S)-3-carboxy-1-{[(1S)-3-carboxy-1-{[(1S)-1-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propyl]carbamoyl}propyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}butanoic acid"	"bivalirudin"	"Angiomax&reg;"	"CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N)CCCNC(=N)N)CC(=O)N)Cc1ccccc1)CCC(=O)O)CCC(=O)O)C"	"OIRCOABEOLEUMC-GEJPAHFPSA-N"	"InChI=1S/C98H138N24O33/c1-5-52(4)82(96(153)122-39-15-23-70(122)92(149)114-60(30-34-79(134)135)85(142)111-59(29-33-78(132)133)86(143)116-64(43-55-24-26-56(123)27-25-55)89(146)118-67(97(154)155)40-51(2)3)119-87(144)61(31-35-80(136)137)112-84(141)58(28-32-77(130)131)113-88(145)63(42-54-18-10-7-11-19-54)117-90(147)66(45-81(138)139)110-76(129)50-107-83(140)65(44-71(100)124)109-75(128)49-106-73(126)47-104-72(125)46-105-74(127)48-108-91(148)68-21-13-38-121(68)95(152)62(20-12-36-103-98(101)102)115-93(150)69-22-14-37-120(69)94(151)57(99)41-53-16-8-6-9-17-53/h6-11,16-19,24-27,51-52,57-70,82,123H,5,12-15,20-23,28-50,99H2,1-4H3,(H2,100,124)(H,104,125)(H,105,127)(H,106,126)(H,107,140)(H,108,148)(H,109,128)(H,110,129)(H,111,142)(H,112,141)(H,113,145)(H,114,149)(H,115,150)(H,116,143)(H,117,147)(H,118,146)(H,119,144)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,154,155)(H4,101,102,103)/t52-,57+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,82-/m0/s1"	""	""	""
"7014"	"BIX-01294"	""	"Synthetic organic"	""	""	""	""	"178103593"	"25150857"	""	""	"CHEMBL569864"	""	""	""	""	"N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine"	""	"BIX 01294|BIX01294"	"COc1cc2nc(nc(c2cc1OC)NC1CCN(CC1)Cc1ccccc1)N1CCCN(CC1)C"	"OSXFATOLZGZLSK-UHFFFAOYSA-N"	"InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)"	""	""	""
"8064"	"BIX02188"	""	"Synthetic organic"	""	""	""	""	"249565744"	"135398492"	""	""	""	""	""	""	""	"(3Z)-3-[[3-[(dimethylamino)methyl]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxamide"	""	"BIX 02188|BIX-02188"	"CN(Cc1cccc(c1)N/C(=C/1\C(=O)Nc2c1ccc(c2)C(=O)N)/c1ccccc1)C"	"FSZPIAXLCCQFCM-FCQUAONHSA-N"	"InChI=1S/C25H24N4O2/c1-29(2)15-16-7-6-10-19(13-16)27-23(17-8-4-3-5-9-17)22-20-12-11-18(24(26)30)14-21(20)28-25(22)31/h3-14,27H,15H2,1-2H3,(H2,26,30)(H,28,31)/b23-22-"	""	""	""
"9380"	"BIX02189"	""	"Synthetic organic"	""	""	""	""	"328083482"	"135659062"	""	""	""	""	""	""	""	"(3Z)-3-[[3-[(dimethylamino)methyl]anilino]-phenylmethylidene]-N,N-dimethyl-2-oxo-1H-indole-6-carboxamide"	""	"BIX 02189|BIX-02189"	"CN(Cc1cccc(c1)N/C(=C/1\C(=O)Nc2c1ccc(c2)C(=O)N(C)C)/c1ccccc1)C"	"HOMJAAIVTDVQJA-IZHYLOQSSA-N"	"InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,28H,17H2,1-4H3,(H,29,32)/b25-24-"	""	""	""
"8039"	"BIX 02565"	""	"Synthetic organic"	""	""	""	""	"249565719"	"53246941"	""	""	"CHEMBL1933288"	""	""	""	""	"(5R)-N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-5-methyl-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide"	""	"BIX-02565|BIX02565"	"CN(CCCn1c(NC(=O)c2ccc3c(c2)n2[C@H](C)CCNC(=O)c2c3)nc2c1cccc2)C"	"ZHMXXVNQAFCXKK-QGZVFWFLSA-N"	"InChI=1S/C26H30N6O2/c1-17-11-12-27-25(34)23-15-18-9-10-19(16-22(18)32(17)23)24(33)29-26-28-20-7-4-5-8-21(20)31(26)14-6-13-30(2)3/h4-5,7-10,15-17H,6,11-14H2,1-3H3,(H,27,34)(H,28,29,33)/t17-/m1/s1"	""	""	""
"13741"	"bizrolertinib"	""	"Synthetic organic"	""	""	""	""	"507750374"	"146448634"	""	""	""	""	""	""	""	"5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine"	"bizrolertinib"	"example 31 [WO2020057511A1]|perzebertinib (deprecated INN)|ZN-1041|ZN-A-1041|ZNA-1041"	"CC1=C(C=CC(=C1)NC2=NC=NC3=C2C(=C(C=C3)OC)O[C@@H]4CCN(CC4(F)F)C)OC5=CC6=NC=NN6C=N5"	"PTKRHBXNNDLRPO-OAQYLSRUSA-N"	"InChI=1S/C27H26F2N8O3/c1-16-10-17(4-6-19(16)39-23-11-22-31-14-34-37(22)15-33-23)35-26-24-18(30-13-32-26)5-7-20(38-3)25(24)40-21-8-9-36(2)12-27(21,28)29/h4-7,10-11,13-15,21H,8-9,12H2,1-3H3,(H,30,32,35)/t21-/m1/s1"	""	""	""
"14315"	"BJ-2412"	""	"Synthetic organic"	""	""	""	""	"523352107"	"129116349"	""	""	""	""	""	""	""	"N-[2-(diethylamino)ethyl]-5-[(Z)-(5-hydroxy-4,6-dimethyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide"	""	"BJ2412|compound 6D [PMID: 27145715]|compound I-40 [WO2017082569A1]"	"CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C(=C(N=C3NC2=O)C)O)C)C"	"GJZNJHODOSTELX-WJDWOHSUSA-N"	"InChI=1S/C23H31N5O3/c1-7-28(8-2)10-9-24-23(31)18-12(3)17(25-14(18)5)11-16-19-13(4)20(29)15(6)26-21(19)27-22(16)30/h11,25,29H,7-10H2,1-6H3,(H,24,31)(H,26,27,30)/b16-11-"	""	""	""
"12266"	"BJG-05-039"	""	"Synthetic organic"	""	""	""	""	"473153854"	"165437866"	""	""	""	""	""	""	""	"(3S)-3-((2-Chloro-5-(2,2-difluoroethyl)-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11-yl)amino)-N-(8-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)octyl)pyrrolidine-1-carboxamide"	""	""	"O=C1CCC(N2C(=O)c3cccc(NCCCCCCCCNC(=O)N4CC[C@@H](NC5=Nc6cc(F)ccc6N(CC(F)F)c6ccc(Cl)cc56)C4)c3C2=O)C(=O)N1"	"UZPKWEBZEBROEX-UOQVMRJOSA-N"	"InChI=1S/C41H44ClF3N8O5/c42-24-10-12-31-28(20-24)37(49-30-21-25(43)11-13-32(30)52(31)23-34(44)45)48-26-16-19-51(22-26)41(58)47-18-6-4-2-1-3-5-17-46-29-9-7-8-27-36(29)40(57)53(39(27)56)33-14-15-35(54)50-38(33)55/h7-13,20-21,26,33-34,46H,1-6,14-19,22-23H2,(H,47,58)(H,48,49)(H,50,54,55)/t26-,33?/m1/s1"	""	""	""
"11401"	"BJP-06-005-3"	""	"Peptide"	""	""	""	""	"440816770"	"146018369"	""	""	""	""	""	""	""	"ethyl (2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[(2-chloroacetyl)-methylamino]-3-phenylpropanoyl]piperidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoate"	""	"compound 1 [PMID: 32483379]|N-(chloroacetyl)-N-methyl-L-phenylalanyl-L-homoprolyl-L-tryptophyl-L-citrulline ethyl ester"	"CCOC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](N(C(=O)CCl)C)Cc1ccccc1)CCCNC(=O)N"	"SUAZSPTYLUTEDZ-ORYMTKCHSA-N"	"InChI=1S/C37H48ClN7O7/c1-3-52-36(50)28(16-11-18-40-37(39)51)42-33(47)29(21-25-23-41-27-15-8-7-14-26(25)27)43-34(48)30-17-9-10-19-45(30)35(49)31(44(2)32(46)22-38)20-24-12-5-4-6-13-24/h4-8,12-15,23,28-31,41H,3,9-11,16-22H2,1-2H3,(H,42,47)(H,43,48)(H3,39,40,51)/t28-,29-,30-,31-/m0/s1"	""	""	""
"10336"	"BL-1249"	""	"Synthetic organic"	""	""	""	""	"381745017"	"16078951"	""	""	"CHEMBL1417584"	""	""	""	""	"N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine"	""	"BL1249"	"C1CCc2c(C1)c(ccc2)Nc1ccccc1c1n[nH]nn1"	"YYNRZIFBTOUICE-UHFFFAOYSA-N"	"InChI=1S/C17H17N5/c1-2-8-13-12(6-1)7-5-11-15(13)18-16-10-4-3-9-14(16)17-19-21-22-20-17/h3-5,7,9-11,18H,1-2,6,8H2,(H,19,20,21,22)"	""	""	""
"11586"	"blarcamesine"	""	"Synthetic organic"	""	""	""	""	"442878620"	"9882189"	""	""	"CHEMBL4297224"	""	""	""	""	"1-(2,2-diphenyloxolan-3-yl)-N,N-dimethylmethanamine"	"blarcamesine"	"AE-37|AE37|Anavex 2-73|Anavex2-73|THD-DP-FM"	"CN(CC1CCOC1(c1ccccc1)c1ccccc1)C"	"BOTHKNZTGGXFEQ-UHFFFAOYSA-N"	"InChI=1S/C19H23NO/c1-20(2)15-18-13-14-21-19(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3"	""	""	""
"12866"	"bleximenib"	""	"Synthetic organic"	""	""	""	""	"485205987"	"156498110"	""	""	"CHEMBL5314509"	""	""	""	""	"N-ethyl-5-fluoro-2-[[5-[2-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]-2,7-diazaspiro[3.4]octan-7-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide"	"bleximenib"	"Compound A [WO2022237720]|JNJ-75276617|JNJ75276617"	"C(C)N(C(C1=C(C=CC(=C1)F)OC2=C(N=CN=N2)N3CC4(CN(C4)[C@@H](C(C)C)CCCN(C)CCOC)CC3)=O)C(C)C"	"PDUGAXSIWNMIBQ-HHHXNRCGSA-N"	"InChI=1S/C32H50FN7O3/c1-8-40(24(4)5)31(41)26-18-25(33)11-12-28(26)43-30-29(34-22-35-36-30)38-15-13-32(19-38)20-39(21-32)27(23(2)3)10-9-14-37(6)16-17-42-7/h11-12,18,22-24,27H,8-10,13-17,19-21H2,1-7H3/t27-/m1/s1"	""	""	""
"10995"	"BLI-489 free acid"	""	"Synthetic organic"	""	""	""	""	"405560436"	"9972353"	""	""	"CHEMBL4302412"	""	""	""	""	"(5R,6Z)-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	""	"BLI489"	"O=C1/C(=C/c2cn3c(n2)COCC3)/[C@@H]2N1C(=CS2)C(=O)O"	"DMEYZPJEFHGESJ-CPWLGJMPSA-N"	"InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/b8-3-/t12-/m1/s1"	""	""	"yes"
"7384"	"blinatumomab"	""	"Antibody"	"yes"	""	""	""	"178103956"	"0"	""	""	""	""	""	""	""	""	"blinatumomab"	"Blincyto&reg;|bscCD19xCD3|MEDI-538|MT-103|MT103"	""	""	""	"yes"	""	""
"9518"	"blisibimod"	""	"Peptide"	""	""	""	""	"336446905"	"0"	""	""	""	""	""	""	""	""	"blisibimod"	"A-623|AGP3 peptibody|AMG 623|Fc-Agp-3"	""	""	""	"yes"	""	""
"7670"	"blonanserin"	""	"Synthetic organic"	"yes"	""	""	""	"223366005"	"125564"	""	""	"CHEMBL178803"	""	""	""	""	"2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine"	"blonanserin"	"AD 5423|AD-5423|Lonasen&reg;"	"CCN1CCN(CC1)c1nc2CCCCCCc2c(c1)c1ccc(cc1)F"	"XVGOZDAJGBALKS-UHFFFAOYSA-N"	"InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3"	""	""	""
"14046"	"blovacitinib"	""	"Synthetic organic"	""	""	""	""	"518520673"	"146408604"	""	""	"CHEMBL5172397"	""	""	""	""	"N-[5-[2-[(1S)-2,2-difluorocyclopropanecarbonyl]-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide"	"blovacitinib"	"compound 36 [PMID: 36512734]|TUL-01101|TUL01101"	"C1CC1C(=O)NC2=NN3C(=N2)C=CC=C3C4CCC5(CC4)CN(C5)C(=O)[C@@H]6CC6(F)F"	"ZOUHWHPRPDJDQE-HNNXBMFYSA-N"	"InChI=1S/C22H25F2N5O2/c23-22(24)10-15(22)19(31)28-11-21(12-28)8-6-13(7-9-21)16-2-1-3-17-25-20(27-29(16)17)26-18(30)14-4-5-14/h1-3,13-15H,4-12H2,(H,26,27,30)/t15-/m0/s1"	""	""	""
"14681"	"BLU-808"	""	"Synthetic organic"	""	""	""	""	"530846929"	"171656297"	""	""	""	""	""	""	""	"N-[5-(2-cyclopropyltetrazol-5-yl)-4-fluoro-2-methylphenyl]-5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide"	""	"BLU808|Compound 239 [US20240262826]"	"O=C(NC=1C=C(C=2N=NN(N2)C3CC3)C(F)=CC1C)C=4C=NN5C=CC(=CC45)C6=CN(N=C6C)CC(O)(C)C"	"BLLAWEQQWJMFSV-UHFFFAOYSA-N"	"InChI=1S/C27H28FN9O2/c1-15-9-22(28)19(25-31-34-37(33-25)18-5-6-18)11-23(15)30-26(38)20-12-29-36-8-7-17(10-24(20)36)21-13-35(32-16(21)2)14-27(3,4)39/h7-13,18,39H,5-6,14H2,1-4H3,(H,30,38)"	"yes"	""	""
"8862"	"BLU-9931"	""	"Synthetic organic"	""	""	""	""	"252827519"	"72710839"	""	""	""	""	""	""	""	"N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-3-methylphenyl]prop-2-enamide"	""	"BLU9931"	"C=CC(=O)Nc1cccc(c1Nc1ncc2c(n1)ccc(c2)c1c(Cl)c(OC)cc(c1Cl)OC)C"	"TXEBNKKOLVBTFK-UHFFFAOYSA-N"	"InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32)"	""	""	""
"10765"	"bluensomycin"	""	"Synthetic organic"	""	""	""	""	"405560206"	"20055290"	""	""	"CHEMBL2104642"	""	""	""	""	"[(1R,2S,3S,4R,5R,6R)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl] carbamate"	"bluensomycin"	"bluensin|U-12898|U12898"	"OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3N=C(N)N)O)OC(=O)N)O[C@H]([C@]2(O)CO)C)[C@H]([C@@H]([C@H]1O)O)NC"	"RQLDKUSQKQMFCN-AEXVNIBOSA-N"	"InChI=1S/C21H39N5O14/c1-5-21(35,4-28)16(40-17-8(25-2)10(30)9(29)6(3-27)37-17)18(36-5)38-14-7(26-19(22)23)11(31)15(39-20(24)34)13(33)12(14)32/h5-18,25,27-33,35H,3-4H2,1-2H3,(H2,24,34)(H4,22,23,26)/t5-,6-,7-,8-,9-,10-,11-,12+,13+,14+,15+,16-,17-,18-,21+/m0/s1"	""	""	"yes"
"12513"	"BM213"	""	"Peptide"	""	""	""	""	"479821303"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"12514"	"BM221"	""	"Peptide"	""	""	""	""	"479821304"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9664"	"BML-281"	""	"Synthetic organic"	""	""	""	""	"348353623"	"24951314"	""	""	"CHEMBL511749"	""	""	""	""	"tert-butyl N-[4-[3-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]-1,2-oxazol-5-yl]phenyl]carbamate"	""	"compound 3 [PMID: 18642892]"	"ONC(=O)CCCCCCNC(=O)c1noc(c1)c1ccc(cc1)NC(=O)OC(C)(C)C"	"WWGBHDIHIVGYLZ-UHFFFAOYSA-N"	"InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)"	"yes"	""	""
"14028"	"BmP09"	""	"Peptide"	""	""	""	""	"518520655"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4875"	"BMP-10"	"Human"	"Peptide"	""	""	""	""	"178101575"	"0"	"O95393"	"ENSG00000163217"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4880"	"BMP-15"	"Human"	"Peptide"	""	""	""	""	"178101580"	"0"	"O95972"	"ENSG00000130385"	""	""	""	""	""	""	""	"GDF-9B|growth/differentiation factor 9B"	""	""	""	""	""	""
"4881"	"BMP-2"	"Human"	"Peptide"	""	""	""	""	"178101581"	"0"	"P12643"	"ENSG00000125845"	""	""	""	""	""	""	""	"BMP-2A|bone morphogenetic protein 2A"	""	""	""	""	""	""
"4882"	"BMP-3"	"Human"	"Peptide"	""	""	""	""	"178101582"	"0"	"P12645"	"ENSG00000152785"	""	""	""	""	""	""	""	"BMP-3A|bone morphogenetic protein 3A"	""	""	""	""	""	""
"4883"	"BMP-4"	"Human"	"Peptide"	""	""	""	""	"178101583"	"0"	"P12644"	"ENSG00000125378"	""	""	""	""	""	""	""	"BMP-2B|bone morphogenetic protein 2B"	""	""	""	""	""	""
"4884"	"BMP-5"	"Human"	"Peptide"	""	""	""	""	"178101584"	"0"	"P22003"	"ENSG00000112175"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4885"	"BMP-6"	"Human"	"Peptide"	""	""	""	""	"178101585"	"0"	"P22004"	"ENSG00000153162"	""	""	""	""	""	""	""	"VG-1-R|VG-1-related protein|VGR-1"	""	""	""	""	""	""
"4886"	"BMP-7"	"Human"	"Peptide"	""	""	""	""	"178101586"	"0"	"P18075"	"ENSG00000101144"	""	""	""	""	""	""	"eptotermin alfa"	""	""	""	""	""	""	""
"4887"	"BMP-8A"	"Human"	"Peptide"	""	""	""	""	"178101587"	"0"	"Q7Z5Y6"	"ENSG00000183682"	""	""	""	""	""	""	""	"bone morphogenetic protein 8A"	""	""	""	""	""	""
"4888"	"BMP-8B"	"Human"	"Peptide"	""	""	""	""	"178101588"	"0"	"P34820"	"ENSG00000116985"	""	""	""	""	""	""	""	"BMP-8"	""	""	""	""	""	""
"4889"	"BMP-9"	"Human"	"Peptide"	""	""	""	""	"178101589"	"0"	"Q9UK05"	"ENSG00000263761"	""	""	""	""	""	""	""	"bone morphogenetic protein 9|GDF-2"	""	""	""	""	""	""
"10191"	"BMS-1001"	""	"Synthetic organic"	""	""	""	""	"381118901"	"118435188"	""	""	""	""	""	""	""	""	""	"BMS1001|Example 1001 [WO2015160641A2]"	"OCC(C(=O)O)NCc1cc(C)c(cc1OCc1cccc(c1)C#N)OCc1cccc(c1C)c1ccc2c(c1)OCCO2"	"UWNXGZKSIKQKAH-UHFFFAOYSA-N"	"InChI=1S/C35H34N2O7/c1-22-13-28(18-37-30(19-38)35(39)40)33(43-20-25-6-3-5-24(14-25)17-36)16-32(22)44-21-27-7-4-8-29(23(27)2)26-9-10-31-34(15-26)42-12-11-41-31/h3-10,13-16,30,37-38H,11-12,18-21H2,1-2H3,(H,39,40)"	"yes"	""	""
"9608"	"BMS-1166"	""	"Synthetic organic"	""	""	""	""	"340590238"	"118434635"	""	""	""	""	""	""	""	"(2R,4R)-1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid"	""	"compound 2c [PMID: 28613862]|Example 1166 [WO2015160641A2]"	"N#Cc1cccc(c1)COc1cc(OCc2cccc(c2C)c2ccc3c(c2)OCCO3)c(cc1CN1C[C@@H](C[C@@H]1C(=O)O)O)Cl"	"QBXVXKRWOVBUDB-GRKNLSHJSA-N"	"InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-29(22)25-8-9-32-35(14-25)44-11-10-43-32)21-46-34-16-33(45-20-24-5-2-4-23(12-24)17-38)27(13-30(34)37)18-39-19-28(40)15-31(39)36(41)42/h2-9,12-14,16,28,31,40H,10-11,15,18-21H2,1H3,(H,41,42)/t28-,31-/m1/s1"	"yes"	""	""
"108"	"BMS 181,101"	""	"Synthetic organic"	""	""	""	""	"135650000"	"177836"	""	""	""	""	""	""	""	"5-fluoro-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole"	""	"BMS 181101|BMS-181,101|BMS-181101|BMS181,101|BMS181101"	"COc1cncnc1N1CCN(CC1)CCCc1c[nH]c2c1cc(F)cc2"	"NRLXAYBZNVHRFL-UHFFFAOYSA-N"	"InChI=1S/C20H24FN5O/c1-27-19-13-22-14-24-20(19)26-9-7-25(8-10-26)6-2-3-15-12-23-18-5-4-16(21)11-17(15)18/h4-5,11-14,23H,2-3,6-10H2,1H3"	""	""	""
"11955"	"BMS-189532"	""	"Synthetic organic"	""	""	""	""	"461663510"	"10835443"	""	""	"CHEMBL81176"	""	""	""	""	"4-[[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalene-2-carbonyl]amino]benzoic acid"	""	"AGN-193491|BMS189532|compound 2 [PMID: 24040487]"	"Cc1ccc(cc1)C1=CCC(C)(C)c2c1cc(cc2)C(=O)Nc1ccc(cc1)C(=O)O"	"WSQCBOJFDSJLNS-UHFFFAOYSA-N"	"InChI=1S/C27H25NO3/c1-17-4-6-18(7-5-17)22-14-15-27(2,3)24-13-10-20(16-23(22)24)25(29)28-21-11-8-19(9-12-21)26(30)31/h4-14,16H,15H2,1-3H3,(H,28,29)(H,30,31)"	""	""	""
"14022"	"BMS-191011"	""	"Synthetic organic"	""	""	""	""	"518520649"	"10474339"	""	""	"CHEMBL45349"	""	""	""	""	""	""	"BMS 191011|Bms-a|BMS191011"	"ClC=1C=CC(=C(C1)CN2C(OC(=N2)C3=CC=C(C=C3)C(F)(F)F)=O)O"	"QKOWACXSXTXRKA-UHFFFAOYSA-N"	"InChI=1S/C16H10ClF3N2O3/c17-12-5-6-13(23)10(7-12)8-22-15(24)25-14(21-22)9-1-3-11(4-2-9)16(18,19)20/h1-7,23H,8H2"	""	""	""
"13016"	"BMS-193884"	""	"Synthetic organic"	""	""	""	""	"485206137"	"9843631"	""	""	"CHEMBL24461"	""	""	""	""	"N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide"	""	"BMS 193884|BMS193884|compound 3 [PMID: 10956219]"	"CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC=C2C3=CC=C(C=C3)C4=NC=CO4"	"LJGUZUROJOJEMI-UHFFFAOYSA-N"	"InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3"	""	""	""
"14160"	"BMS-193885"	""	"Synthetic organic"	""	""	""	""	"518520787"	"9960164"	""	""	"CHEMBL324554"	""	""	""	""	"dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate"	""	"BMS 193885|BMS193885"	"CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)NC(=O)NCCCN3CCC(CC3)C4=CC(=CC=C4)OC)C(=O)OC"	"WMYSXJSJXZFODY-UHFFFAOYSA-N"	"InChI=1S/C33H42N4O6/c1-21-28(31(38)42-4)30(29(22(2)35-21)32(39)43-5)25-10-6-11-26(19-25)36-33(40)34-15-8-16-37-17-13-23(14-18-37)24-9-7-12-27(20-24)41-3/h6-7,9-12,19-20,23,30,35H,8,13-18H2,1-5H3,(H2,34,36,40)"	""	""	""
"9607"	"BMS-202"	""	"Synthetic organic"	""	""	""	""	"340590237"	"117951478"	""	""	""	""	""	""	""	"N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridin-3-yl]methylamino]ethyl]acetamide"	""	"compound 1c [PMID: 28613862]|PD1-PDL1 inhibitor 2"	"COc1nc(OCc2cccc(c2C)c2ccccc2)ccc1CNCCNC(=O)C"	"JEDPSOYOYVELLZ-UHFFFAOYSA-N"	"InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)"	"yes"	""	""
"8026"	"BMS-214662"	""	"Synthetic organic"	""	""	""	""	"249565706"	"448545"	""	""	"CHEMBL351706"	""	""	""	""	"(3R)-1-(3H-imidazol-4-ylmethyl)-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile"	""	"BMS 214662|BMS214662|BVM"	"N#Cc1ccc2c(c1)CN([C@@H](CN2Cc1[nH]cnc1)Cc1ccccc1)S(=O)(=O)c1cccs1"	"OLCWFLWEHWLBTO-HSZRJFAPSA-N"	"InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1"	""	""	""
"8051"	"BMS-265246"	""	"Synthetic organic"	""	""	""	""	"249565731"	"5329775"	""	""	"CHEMBL310840"	""	""	""	""	"(4-butoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)-(2,6-difluoro-4-methylphenyl)methanone"	""	"BMS 265246|BMS265246"	"CCCCOc1c(cnc2c1cn[nH]2)C(=O)c1c(F)cc(cc1F)C"	"SCFMWQIQBVZOQR-UHFFFAOYSA-N"	"InChI=1S/C18H17F2N3O2/c1-3-4-5-25-17-11(8-21-18-12(17)9-22-23-18)16(24)15-13(19)6-10(2)7-14(15)20/h6-9H,3-5H2,1-2H3,(H,21,22,23)"	""	""	""
"2653"	"BMS270394"	""	"Synthetic organic"	""	""	""	""	"135650002"	"445455"	""	""	""	""	""	""	""	"3-fluoro-4-[[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]amino]benzoic acid"	""	"BMS 270394|BMS 961|BMS-270394"	"O[C@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)C(=O)Nc1ccc(cc1F)C(=O)O"	"AANFHDFOMFRLLR-LJQANCHMSA-N"	"InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m1/s1"	""	""	""
"12855"	"BMS-303141"	""	"Synthetic organic"	""	""	""	""	"483123403"	"16747776"	""	""	"CHEMBL399379"	""	""	""	""	"3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide"	""	"BMS303141"	"COC1=C(C=C(C=C1)C2=CC=CC=C2)NS(=O)(=O)C3=C(C(=CC(=C3)Cl)Cl)O"	"SIIPNDKXZOTLEA-UHFFFAOYSA-N"	"InChI=1S/C19H15Cl2NO4S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)22-27(24,25)18-11-14(20)10-15(21)19(18)23/h2-11,22-23H,1H3"	""	""	""
"6735"	"BMS309403"	""	"Synthetic organic"	""	""	""	""	"178103346"	"16122583"	""	""	"CHEMBL247920"	""	""	""	""	"2-[3-[2-[5-ethyl-3,4-di(phenyl)pyrazol-1-yl]phenyl]phenoxy]acetic acid"	""	"BMS 309403|BMS-309403"	"CCc1c(c2ccccc2)c(nn1c1ccccc1c1cccc(c1)OCC(=O)O)c1ccccc1"	"SJRVJRYZAQYCEE-UHFFFAOYSA-N"	"InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)"	""	""	""
"5669"	"BMS-345541"	""	"Synthetic organic"	""	""	""	""	"178102297"	"9813758"	""	""	"CHEMBL249697"	""	""	""	""	"N-(2-aminoethyl)-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine"	""	"BMS 345541|BMS345541"	"NCCNc1nc2ccc(cc2n2c1ncc2C)C"	"PSPFQEBFYXJZEV-UHFFFAOYSA-N"	"InChI=1S/C14H17N5/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18)"	"yes"	""	""
"5670"	"BMS-387032"	""	"Synthetic organic"	""	""	""	""	"178102298"	"3025986"	""	""	"CHEMBL296468"	""	""	""	""	"N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide"	""	"BMS 387032|BMS387032|compound 21 [PMID: 15027863]|SNS 032|SNS-032|SNS032"	"O=C(C1CCNCC1)Nc1ncc(s1)SCc1ncc(o1)C(C)(C)C"	"OUSFTKFNBAZUKL-UHFFFAOYSA-N"	"InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)"	""	""	""
"2641"	"BMS493"	""	"Synthetic organic"	""	""	""	""	"135650003"	"9909190"	""	""	"CHEMBL472172"	""	""	""	""	"4-[(E)-2-[5,5-dimethyl-8-(2-phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl]benzoic acid"	""	"BMS 493|BMS-493"	"OC(=O)c1ccc(cc1)/C=C/c1ccc2c(c1)C(=CCC2(C)C)C#Cc1ccccc1"	"YCADIXLLWMXYKW-CMDGGOBGSA-N"	"InChI=1S/C29H24O2/c1-29(2)19-18-24(14-10-21-6-4-3-5-7-21)26-20-23(13-17-27(26)29)9-8-22-11-15-25(16-12-22)28(30)31/h3-9,11-13,15-18,20H,19H2,1-2H3,(H,30,31)/b9-8+"	""	""	""
"13006"	"BMS-502"	""	"Synthetic organic"	""	""	""	""	"485206127"	"146466271"	""	""	""	""	""	""	""	"8-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-5-methyl-7-nitro-6-oxo-1,5-naphthyridine-2-carbonitrile"	""	"BMS502|compound 22 [PMID: 37465293]"	"CN1C2=C(C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)N=C(C=C2)C#N"	"XAHMIJCNFUSTMT-UHFFFAOYSA-N"	"InChI=1S/C27H22F2N6O3/c1-32-22-11-10-21(16-30)31-23(22)25(26(27(32)36)35(37)38)34-14-12-33(13-15-34)24(17-2-6-19(28)7-3-17)18-4-8-20(29)9-5-18/h2-11,24H,12-15H2,1H3"	""	""	""
"9994"	"BMS-509744"	""	"Synthetic organic"	""	""	""	""	"374883881"	"11467730"	""	""	"CHEMBL209148"	""	""	""	""	"N-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide"	""	"BMS 509744|BMS509744|compound 3 [PMID:16682193]"	"COc1cc(C)c(cc1C(=O)N1CCN(CC1)C(=O)C)Sc1cnc(s1)NC(=O)c1ccc(cc1)CNC(C(C)(C)C)C"	"ZHXNIYGJAOPMSO-UHFFFAOYSA-N"	"InChI=1S/C32H41N5O4S2/c1-20-16-26(41-7)25(30(40)37-14-12-36(13-15-37)22(3)38)17-27(20)42-28-19-34-31(43-28)35-29(39)24-10-8-23(9-11-24)18-33-21(2)32(4,5)6/h8-11,16-17,19,21,33H,12-15,18H2,1-7H3,(H,34,35,39)"	"yes"	""	""
"9386"	"BMS-536924"	""	"Synthetic organic"	""	""	""	""	"328083488"	"135398504"	""	""	""	""	""	""	""	""	""	"BMS 536924|BMS536924|compound 1 [PMID: 18763755]|compound 3 [PMID: 16134929]"	"Clc1cccc(c1)C(CNC1=CC=NC(=O)C1=c1[nH]c2c([nH]1)cc(cc2C)N1CCOCC1)O"	"UGQMURPIMYALPH-UHFFFAOYSA-N"	"InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,28-30,32H,7-10,14H2,1H3"	""	""	""
"6509"	"BMS-561392"	""	"Synthetic organic"	""	""	""	""	"178103123"	"9847838"	""	""	"CHEMBL489100"	""	""	""	""	"(2R)-2-[(3R)-3-amino-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide"	""	"BMS 561392|BMS561392|DPC-333"	"ONC(=O)[C@H](N1CC[C@@](C1=O)(N)c1ccc(cc1)OCc1cc(C)nc2c1cccc2)CC(C)C"	"QVNZBDLTUKCPGJ-SHQCIBLASA-N"	"InChI=1S/C27H32N4O4/c1-17(2)14-24(25(32)30-34)31-13-12-27(28,26(31)33)20-8-10-21(11-9-20)35-16-19-15-18(3)29-23-7-5-4-6-22(19)23/h4-11,15,17,24,34H,12-14,16,28H2,1-3H3,(H,30,32)/t24-,27-/m1/s1"	"yes"	""	""
"7838"	"BMS-582949"	""	"Synthetic organic"	""	""	""	""	"223366169"	"10409068"	""	""	"CHEMBL1230065"	""	""	""	""	"4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino]-5-methyl-N-propylpyrrolo[5,1-f][1,2,4]triazine-6-carboxamide"	""	"BMS 582949|BMS582949|PS 540446|PS-540446|PS540446"	"CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc1cc(ccc1C)C(=O)NC1CC1"	"GDTQLZHHDRRBEB-UHFFFAOYSA-N"	"InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27)"	"yes"	""	""
"7647"	"BMS-599626"	""	"Synthetic organic"	""	""	""	""	"223365982"	"10437018"	""	""	"CHEMBL1645462"	""	""	""	""	"[(3S)-morpholin-3-yl]methyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate"	""	"AC1480 (free base)|AC480|BMS 599626|BMS599626"	"O=C(Nc1cn2c(c1C)c(ncn2)Nc1ccc2c(c1)cnn2Cc1cccc(c1)F)OC[C@@H]1COCCN1"	"LUJZZYWHBDHDQX-QFIPXVFZSA-N"	"InChI=1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1"	""	""	""
"2643"	"BMS614"	""	"Synthetic organic"	""	""	""	""	"135650004"	"445091"	""	""	"CHEMBL2385269"	""	""	""	""	"4-[(5,5-dimethyl-8-quinolin-3-yl6H-naphthalene-2-carbonyl)amino]benzoic acid"	""	"BMS 614|BMS-614"	"O=C(c1ccc2c(c1)C(=CCC2(C)C)c1cnc2c(c1)cccc2)Nc1ccc(cc1)C(=O)O"	"WGLMBRZXZDAQHP-UHFFFAOYSA-N"	"InChI=1S/C29H24N2O3/c1-29(2)14-13-23(21-15-19-5-3-4-6-26(19)30-17-21)24-16-20(9-12-25(24)29)27(32)31-22-10-7-18(8-11-22)28(33)34/h3-13,15-17H,14H2,1-2H3,(H,31,32)(H,33,34)"	""	""	""
"2651"	"BMS641"	""	"Synthetic organic"	""	""	""	""	"135650005"	"22737393"	""	""	""	""	""	""	""	"3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)ethenyl]benzoic acid"	""	"BMS 641|BMS-641"	"Clc1cc(ccc1/C=C/c1ccc2c(c1)C(=CCC2(C)C)c1ccccc1)C(=O)O"	"FRTYVAKGTFXRNY-CSKARUKUSA-N"	"InChI=1S/C27H23ClO2/c1-27(2)15-14-22(19-6-4-3-5-7-19)23-16-18(9-13-24(23)27)8-10-20-11-12-21(26(29)30)17-25(20)28/h3-14,16-17H,15H2,1-2H3,(H,29,30)/b10-8+"	""	""	""
"9430"	"BMS-681"	""	"Synthetic organic"	""	""	""	""	"328083530"	"68764898"	""	""	"CHEMBL3577945"	""	""	""	""	"(3S)-1-[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl]-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one"	""	"compound 13d [PMID: 25893046]"	"CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C"	"NUJWKQSEJDYCDB-GNRVTEMESA-N"	"InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1"	"yes"	""	""
"13007"	"BMS-684"	""	"Synthetic organic"	""	""	""	""	"485206128"	"2864836"	""	""	""	""	""	""	""	"4-(4-benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one"	""	"BMS684|compound 1 [PMID: 37465293]"	"CN1C(=O)C(=C(N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C15)[N+]([O-])=O"	"XIVOLEKHEMYRBO-UHFFFAOYSA-N"	"InChI=1S/C27H26N4O3/c1-28-23-15-9-8-14-22(23)25(26(27(28)32)31(33)34)30-18-16-29(17-19-30)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,24H,16-19H2,1H3"	""	""	""
"7879"	"BMS-690514"	""	"Synthetic organic"	""	""	""	""	"223366208"	"11349170"	""	""	""	""	""	""	""	"(3R,4R)-4-amino-1-[[4-[(3-methoxyphenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol"	""	"BMS 690514|BMS690514"	"COc1cccc(c1)Nc1ncnn2c1c(cc2)CN1CC[C@H]([C@@H](C1)O)N"	"CSGQVNMSRKWUSH-IAGOWNOFSA-N"	"InChI=1S/C19H24N6O2/c1-27-15-4-2-3-14(9-15)23-19-18-13(5-8-25(18)22-12-21-19)10-24-7-6-16(20)17(26)11-24/h2-5,8-9,12,16-17,26H,6-7,10-11,20H2,1H3,(H,21,22,23)/t16-,17-/m1/s1"	""	""	""
"11598"	"BMS-741672"	""	"Synthetic organic"	""	""	""	""	"442878632"	"23725177"	""	""	"CHEMBL4442783"	""	""	""	""	"N-[(1R,2S,5R)-5-[methyl(propan-2-yl)amino]-2-[(3S)-2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]cyclohexyl]acetamide"	""	"BMS741672|compound 1a [PMID: 34141082]|compound 7 [PMID: 30891130]"	"CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C"	"GVOISEJVFFIGQE-YCZSINBZSA-N"	"InChI=1S/C25H33F3N6O2/c1-14(2)33(4)17-6-8-22(21(12-17)31-15(3)35)34-10-9-20(24(34)36)32-23-18-11-16(25(26,27)28)5-7-19(18)29-13-30-23/h5,7,11,13-14,17,20-22H,6,8-10,12H2,1-4H3,(H,31,35)(H,29,30,32)/t17-,20+,21-,22+/m1/s1"	""	""	""
"2650"	"BMS753"	""	"Synthetic organic"	""	""	""	""	"135650006"	"9884820"	""	""	""	""	""	""	""	"4-[(1,1,3,3-tetramethyl-2-oxoindene-5-carbonyl)amino]benzoic acid"	""	"BMS 753|BMS-753"	"O=C(c1ccc2c(c1)C(C)(C)C(=O)C2(C)C)Nc1ccc(cc1)C(=O)O"	"KFBPBWUZXBYJDG-UHFFFAOYSA-N"	"InChI=1S/C21H21NO4/c1-20(2)15-10-7-13(11-16(15)21(3,4)19(20)26)17(23)22-14-8-5-12(6-9-14)18(24)25/h5-11H,1-4H3,(H,22,23)(H,24,25)"	""	""	""
"11597"	"BMS-753426"	""	"Synthetic organic"	""	""	""	""	"442878631"	"23725180"	""	""	""	""	""	""	""	"N-[(1R,2S,5R)-5-(tert-butylamino)-2-[(3S)-2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]cyclohexyl]acetamide"	""	"BMS753426|compound 2d [PMID: 34141082]"	"CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C"	"QAPTWHXHEYAIKG-RCOXNQKVSA-N"	"InChI=1S/C25H33F3N6O2/c1-14(35)31-20-12-16(33-24(2,3)4)6-8-21(20)34-10-9-19(23(34)36)32-22-17-11-15(25(26,27)28)5-7-18(17)29-13-30-22/h5,7,11,13,16,19-21,33H,6,8-10,12H2,1-4H3,(H,31,35)(H,29,30,32)/t16-,19+,20-,21+/m1/s1"	""	""	""
"7952"	"BMS-754807"	""	"Synthetic organic"	""	""	""	""	"249565635"	"24785538"	""	""	"CHEMBL575448"	""	""	""	""	"(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide"	""	"BMS 754807|BMS754807"	"Fc1ccc(cn1)NC(=O)[C@]1(C)CCCN1c1nc(Nc2n[nH]c(c2)C2CC2)c2n(n1)ccc2"	"LQVXSNNAFNGRAH-QHCPKHFHSA-N"	"InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1"	""	""	""
"7953"	"BMS-777607"	""	"Synthetic organic"	""	""	""	""	"249565636"	"24794418"	""	""	"CHEMBL460702"	""	""	""	""	"N-[4-(2-amino-3-chloropyridin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide"	""	"BMS 777607|BMS777607"	"CCOc1ccn(c(=O)c1C(=O)Nc1ccc(c(c1)F)Oc1ccnc(c1Cl)N)c1ccc(cc1)F"	"VNBRGSXVFBYQNN-UHFFFAOYSA-N"	"InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)"	""	""	""
"9497"	"BMS-817399"	""	"Synthetic organic"	""	""	""	""	"336446899"	"44537841"	""	""	"CHEMBL3334824"	""	""	""	""	""	""	"compound 29 [PMID: 25101488]"	"O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C"	"PTNKPLPRPJERNR-XXBNENTESA-N"	"InChI=1S/C23H35ClN2O4/c1-15(2)19(25-18(27)13-22(5,6)29)20(28)26-12-11-23(30,21(3,4)14-26)16-7-9-17(24)10-8-16/h7-10,15,19,29-30H,11-14H2,1-6H3,(H,25,27)/t19-,23+/m1/s1"	"yes"	""	""
"11932"	"BMS-820132"	""	"Synthetic organic"	""	""	""	""	"461663487"	"58265877"	""	""	""	""	""	""	""	"3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-[1-(diethoxyphosphorylmethyl)pyrazol-3-yl]-5-propan-2-yloxybenzamide"	""	"BMS820132|compound 31 [PMID: 35179904]"	"O=C(Nc1nn(CP(=O)(OCC)OCC)cc1)c1cc(OC(C)C)cc(Oc2cnc(C(=O)N3CCC3)cn2)c1"	"OYUDYQMFVRHPIY-UHFFFAOYSA-N"	"InChI=1S/C26H33N6O7P/c1-5-36-40(35,37-6-2)17-32-11-8-23(30-32)29-25(33)19-12-20(38-18(3)4)14-21(13-19)39-24-16-27-22(15-28-24)26(34)31-9-7-10-31/h8,11-16,18H,5-7,9-10,17H2,1-4H3,(H,29,30,33)"	""	""	""
"10158"	"BMS-823778"	""	"Synthetic organic"	""	""	""	""	"381118868"	"42634627"	""	""	""	""	""	""	""	"2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol"	""	"compound 2 [Li <i>et al</i>., 2018]"	"Clc1ccc(cc1)C1(CC1)c1nnc2n1cccc2C(O)(C)C"	"PTIFVLOBVCIMKL-UHFFFAOYSA-N"	"InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3"	""	""	""
"8202"	"BMS-833923"	""	"Synthetic organic"	""	""	""	""	"249565882"	"57662985"	""	""	""	""	""	""	""	"N-[2-methyl-5-(methylaminomethyl)phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide"	""	"BMS 833923|BMS833923|XL 139|XL-139|XL139"	"CNCc1ccc(c(c1)NC(=O)c1ccc(cc1)Nc1nc2ccccc2c(n1)c1ccccc1)C"	"KLRRGBHZCJLIEL-UHFFFAOYSA-N"	"InChI=1S/C30H27N5O/c1-20-12-13-21(19-31-2)18-27(20)33-29(36)23-14-16-24(17-15-23)32-30-34-26-11-7-6-10-25(26)28(35-30)22-8-4-3-5-9-22/h3-18,31H,19H2,1-2H3,(H,33,36)(H,32,34,35)"	""	""	""
"14079"	"BMS-852927"	""	"Synthetic organic"	""	""	""	""	"518520706"	"49787490"	""	""	"CHEMBL3945199"	""	""	""	""	"2-[2-[2-(2,6-dichlorophenyl)propan-2-yl]-1-[2-fluoro-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol"	""	"BMS852927|compound 15 [PMID: 27994765]|XL-041|XL041"	"CC(C)(C1=CN(C(=N1)C(C)(C)C2=C(C=CC=C2Cl)Cl)C3=C(C=C(C=C3)C4=CC(=C(C(=C4)S(=O)(=O)C)CO)F)F)O"	"HNAJDMYOTDNOBK-UHFFFAOYSA-N"	"InChI=1S/C29H28Cl2F2N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3"	"yes"	""	""
"7968"	"BMS-908662"	""	"Synthetic organic"	""	""	""	""	"249565651"	"56931136"	""	""	""	""	""	""	""	"methyl N-[6-[2-(5-chloro-2-methylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate"	""	"BMS 908662|BMS908662|XL281"	"COC(=O)Nc1nc2c([nH]1)cc(cc2)C1(O)c2ccccc2C(=O)N1c1cc(Cl)ccc1C"	"MMNNTJYFHUDSKL-UHFFFAOYSA-N"	"InChI=1S/C24H19ClN4O4/c1-13-7-9-15(25)12-20(13)29-21(30)16-5-3-4-6-17(16)24(29,32)14-8-10-18-19(11-14)27-22(26-18)28-23(31)33-2/h3-12,32H,1-2H3,(H2,26,27,28,31)"	""	""	""
"11688"	"BMS-911172"	""	"Synthetic organic"	""	""	""	""	"442878714"	"86582964"	""	""	""	""	""	""	""	"(2R)-2-amino-N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide"	""	"BMS911172|compound 59 [PMID: 34270254]"	"N[C@@H](C(=O)Nc1cc(c(cc1)c1cnco1)OC(F)F)CC(C)C"	"GCTFTMWXZFLTRR-GFCCVEGCSA-N"	"InChI=1S/C16H19F2N3O3/c1-9(2)5-12(19)15(22)21-10-3-4-11(14-7-20-8-23-14)13(6-10)24-16(17)18/h3-4,6-9,12,16H,5,19H2,1-2H3,(H,21,22)/t12-/m1/s1"	""	""	""
"7954"	"BMS-911543"	""	"Synthetic organic"	""	""	""	""	"249565637"	"50922691"	""	""	""	""	""	""	""	""	""	"BMS 911543|BMS911543"	"CCn1c(cc2c1nc(Nc1nn(c(c1)C)C)c1c2n(C)cn1)C(=O)N(C1CC1)C1CC1"	"JCINBYQJBYJGDM-UHFFFAOYSA-N"	"InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)"	""	""	""
"9884"	"BMS-962212"	""	"Synthetic organic"	""	""	""	""	"363894178"	"71548883"	""	""	""	""	""	""	""	"4-[[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(4-methyl-2-oxopiperazin-1-yl)-3,4-dihydro-1H-isoquinoline-1-carbonyl]amino]benzoic acid"	""	"BMS962212|compound 55 [PMID: 29077405]"	"CN1CCN(C(=O)C1)c1cccc2c1CCN([C@@H]2C(=O)Nc1ccc(cc1)C(=O)O)C(=O)/C=C/c1c(F)c(Cl)ccc1n1cnnn1"	"WYFCZWSWFGJODV-MIANJLSGSA-N"	"InChI=1S/C32H28ClFN8O5/c1-39-15-16-40(28(44)17-39)25-4-2-3-22-21(25)13-14-41(30(22)31(45)36-20-7-5-19(6-8-20)32(46)47)27(43)12-9-23-26(42-18-35-37-38-42)11-10-24(33)29(23)34/h2-12,18,30H,13-17H2,1H3,(H,36,45)(H,46,47)/b12-9+/t30-/m0/s1"	""	""	""
"12738"	"BMS-963272"	""	"Synthetic organic"	""	""	""	""	"483123286"	"71582672"	""	""	"CHEMBL3912712"	""	""	""	""	"(2S)-4-(4-methylphenyl)-5-(2H-tetrazol-5-yl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one"	""	"BMS963272|compound 21s [PMID: 34613725]"	"O=C1N[C@@](CC(C2=CC=C(C=C2)C)=C1C3=NN=NN3)(C4=CC=C(OCCCC(F)(F)F)C=C4)C(F)(F)F"	"AEMPUAWUDAMJBV-QFIPXVFZSA-N"	"InChI=1S/C24H21F6N5O2/c1-14-3-5-15(6-4-14)18-13-22(24(28,29)30,31-21(36)19(18)20-32-34-35-33-20)16-7-9-17(10-8-16)37-12-2-11-23(25,26)27/h3-10H,2,11-13H2,1H3,(H,31,36)(H,32,33,34,35)/t22-/m0/s1"	""	""	""
"9498"	"BMS-986020"	""	"Synthetic organic"	""	""	""	""	"329968437"	"49792850"	""	""	""	""	""	""	""	"1-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid"	""	"am-152|AM152|AP-3152 free acid"	"O=C(O[C@@H](c1ccccc1)C)Nc1c(C)noc1c1ccc(cc1)c1ccc(cc1)C1(CC1)C(=O)O"	"GQBRZBHEPUQRPL-LJQANCHMSA-N"	"InChI=1S/C29H26N2O5/c1-18-25(30-28(34)35-19(2)20-6-4-3-5-7-20)26(36-31-18)23-10-8-21(9-11-23)22-12-14-24(15-13-22)29(16-17-29)27(32)33/h3-15,19H,16-17H2,1-2H3,(H,30,34)(H,32,33)/t19-/m1/s1"	""	""	""
"11494"	"BMS-986104 derivative 12"	""	"Synthetic organic"	""	""	""	""	"440816862"	"118877241"	""	""	""	""	""	""	""	"[(1R,3S)-1-amino-3-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol"	""	"compound 12 [PMID: 33492963]"	"CCOCCC[C@@H]1CCc2c(C1)ccc(c2)[C@H]1CC[C@](C1)(N)CO"	"PYZTXDCPUPYILV-TYCQWZJGSA-N"	"InChI=1S/C21H33NO2/c1-2-24-11-3-4-16-5-6-18-13-19(8-7-17(18)12-16)20-9-10-21(22,14-20)15-23/h7-8,13,16,20,23H,2-6,9-12,14-15,22H2,1H3/t16-,20+,21-/m1/s1"	"yes"	""	""
"11495"	"BMS-986104 derivative 24"	""	"Synthetic organic"	""	""	""	""	"440816863"	"118877392"	""	""	""	""	""	""	""	"[(1R,3S)-1-amino-3-[(6S)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol"	""	"compound 24 [PMID: 33492963]"	"COCCCCC[C@H]1CCc2c(C1)ccc(c2)[C@H]1CC[C@](C1)(N)CO"	"CMZZUAAIKUIMSG-BULFRSBZSA-N"	"InChI=1S/C22H35NO2/c1-25-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-24/h8-9,14,17,21,24H,2-7,10-13,15-16,23H2,1H3/t17-,21-,22+/m0/s1"	"yes"	""	""
"10269"	"BMS-986120"	""	"Synthetic organic"	""	""	""	""	"381744950"	"72190270"	""	""	""	""	""	""	""	"4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]morpholine"	""	"BMS986120|compound 43 [PMID: 35729784]"	"COc1cc(OCc2nc(sc2C)N2CCOCC2)c2c(c1)oc(c2)c1cn2c(n1)sc(n2)OC"	"MINMDCMSHDBHKG-UHFFFAOYSA-N"	"InChI=1S/C23H23N5O5S2/c1-13-17(25-21(34-13)27-4-6-31-7-5-27)12-32-18-8-14(29-2)9-19-15(18)10-20(33-19)16-11-28-22(24-16)35-23(26-28)30-3/h8-11H,4-7,12H2,1-3H3"	""	""	""
"9156"	"BMS-986121"	""	"Synthetic organic"	""	""	""	""	"315661240"	"121231403"	""	""	""	""	""	""	""	"[(4-{2-[(2,6-dichlorophenyl)amino]-1,3-thiazol-4-yl}phenyl)(hydroxy)imino]-λ<sup>1</sup>-oxidanyl"	""	""	"Clc1cccc(c1Nc1scc(n1)c1ccc(cc1)N(O)[O])Cl"	"XUVKOFBHMYDXMJ-UHFFFAOYSA-N"	"InChI=1S/C15H10Cl2N3O2S/c16-11-2-1-3-12(17)14(11)19-15-18-13(8-23-15)9-4-6-10(7-5-9)20(21)22/h1-8,21H,(H,18,19)"	""	""	""
"9157"	"BMS-986122"	""	"Synthetic organic"	""	""	""	""	"315661241"	"4644453"	""	""	""	""	""	""	""	"2-(3-bromo-4-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine"	""	""	"COc1ccc(cc1Br)C1SCCN1S(=O)(=O)c1ccc(cc1)Cl"	"PNGJPVDGZNPZHY-UHFFFAOYSA-N"	"InChI=1S/C16H15BrClNO3S2/c1-22-15-7-2-11(10-14(15)17)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3"	""	""	""
"9159"	"BMS-986123"	""	"Synthetic organic"	""	""	""	""	"315661242"	"121231404"	""	""	""	""	""	""	""	"[hydroxy({2-methoxy-5-[3-(4-methylbenzenesulfonyl)-1,3-thiazolidin-2-yl]phenyl})imino]-λ<sup>1</sup>-oxidanyl"	""	""	"COc1ccc(cc1N(O)[O])C1SCCN1S(=O)(=O)c1ccc(cc1)C"	"AXAIHSGKCYUSAN-UHFFFAOYSA-N"	"InChI=1S/C17H19N2O5S2/c1-12-3-6-14(7-4-12)26(22,23)18-9-10-25-17(18)13-5-8-16(24-2)15(11-13)19(20)21/h3-8,11,17,20H,9-10H2,1-2H3"	""	""	""
"9160"	"BMS-986124"	""	"Synthetic organic"	""	""	""	""	"315661243"	"121231405"	""	""	""	""	""	""	""	"2-(4-bromo-2-methoxyphenyl)-3-(4-chlorobenzenesulfonyl)-1,3-thiazolidine"	""	""	"COc1cc(Br)ccc1C1SCCN1S(=O)(=O)c1ccc(cc1)Cl"	"PMPBBWPDHSHENJ-UHFFFAOYSA-N"	"InChI=1S/C16H15BrClNO3S2/c1-22-15-10-11(17)2-7-14(15)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3"	""	""	""
"12038"	"BMS-986141"	""	"Synthetic organic"	""	""	""	""	"472319161"	"72188743"	""	""	"CHEMBL3716552"	""	""	""	""	"4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide"	""	"BMS986141|compound 49 [PMID: 35729784]"	"COc1nn2cc(nc2s1)c1cc2c(o1)cc(OC)cc2OCc1csc(n1)c1ccc(cc1)C(=O)N(C)C"	"KEEBLYWBELVGPQ-UHFFFAOYSA-N"	"InChI=1S/C27H23N5O5S2/c1-31(2)25(33)16-7-5-15(6-8-16)24-28-17(14-38-24)13-36-21-9-18(34-3)10-22-19(21)11-23(37-22)20-12-32-26(29-20)39-27(30-32)35-4/h5-12,14H,13H2,1-4H3"	""	""	""
"9857"	"BMS-986142"	""	"Synthetic organic"	""	""	""	""	"363894151"	"86582336"	""	""	""	""	""	""	""	"(7S)-3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide"	""	"BMS986142|compound 14f [PMID: 27583770]"	"Fc1cc(C(=O)N)c2c(c1c1cccc(c1C)n1c(=O)c3cccc(c3n(c1=O)C)F)c1CC[C@@H](Cc1[nH]2)C(O)(C)C"	"ZRYMMWAJAFUANM-INIZCTEOSA-N"	"InChI=1S/C32H30F2N4O4/c1-15-17(7-6-10-24(15)38-30(40)19-8-5-9-21(33)28(19)37(4)31(38)41)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-23(18)36-27/h5-10,14,16,36,42H,11-13H2,1-4H3,(H2,35,39)/t16-/m0/s1"	"yes"	""	""
"11757"	"BMS-986158"	""	"Synthetic organic"	""	""	""	""	"458923792"	"118196485"	""	""	"CHEMBL4297458"	""	""	""	""	"2-[3-(3,5-dimethyltriazol-4-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol"	""	"BMS986158|compound 18 [PMID: 34543572]"	"Cn1nnc(C)c1c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c2ccc(c1)C(C)(C)O"	"KGERZPVQIRYWRK-GDLZYMKVSA-N"	"InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1"	""	""	""
"11493"	"BMS-986166"	""	"Synthetic organic"	""	""	""	""	"440816861"	"118877516"	""	""	""	""	""	""	""	"[(1R,3S)-1-amino-3-[(6S)-6-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol"	""	"BMS986166|compound 14a [PMID: 30785748]"	"OC[C@@]1(N)CC[C@@H](C1)c1ccc2c(c1)CC[C@H](C2)CCc1ccccc1OC"	"QCMHGCDOZLWPOT-FMNCTDSISA-N"	"InChI=1S/C25H33NO2/c1-28-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-27/h2-5,10-11,15,18,23,27H,6-9,12-14,16-17,26H2,1H3/t18-,23+,25-/m1/s1"	"yes"	""	""
"12971"	"BMS-986172"	""	"Synthetic organic"	""	""	""	""	"485206092"	"136970071"	""	""	""	""	""	""	""	"(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-[2-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]-5-(5-oxo-1H-tetrazol-4-yl)-2-(trifluoromethyl)-1,3-dihydropyridin-6-one"	""	"BMS986172|compound 12 [PMID: 37724542]"	"FC1=C(C=CC(OCCCC(F)(F)F)=C1)[C@@]2(CC(C3=NN(CC4CC4)C=C3)=C(N5N=NNC5=O)C(=O)N2)C(F)(F)F"	"VFFPVFKSCNJAMO-QFIPXVFZSA-N"	"InChI=1S/C24H22F7N7O3/c25-17-10-14(41-9-1-7-23(26,27)28)4-5-16(17)22(24(29,30)31)11-15(18-6-8-37(34-18)12-13-2-3-13)19(20(39)32-22)38-21(40)33-35-36-38/h4-6,8,10,13H,1-3,7,9,11-12H2,(H,32,39)(H,33,36,40)/t22-/m0/s1"	""	""	""
"9748"	"BMS-986187"	""	"Synthetic organic"	""	""	""	""	"354702221"	"17379334"	""	""	""	""	""	""	""	"3,3,6,6-tetramethyl-9-[4-[(2-methylphenyl)methoxy]phenyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione"	""	""	"O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)OCc1ccccc1C)C1=C(O2)CC(CC1=O)(C)C"	"UEKIYVKPQNKSDI-UHFFFAOYSA-N"	"InChI=1S/C31H34O4/c1-19-8-6-7-9-21(19)18-34-22-12-10-20(11-13-22)27-28-23(32)14-30(2,3)16-25(28)35-26-17-31(4,5)15-24(33)29(26)27/h6-13,27H,14-18H2,1-5H3"	""	""	""
"12723"	"BMS-986202"	""	"Synthetic organic"	""	""	""	""	"483123271"	"155981972"	""	""	"CHEMBL4789639"	""	""	""	""	"6-(cyclopropanecarbonylamino)-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide"	""	"BMS986202|compound 7 [PMID: 33370104]"	"FC=1C=NC(=NC1)C2=CC=CC(NC3=C(C(NC([2H])([2H])[2H])=O)C=NC(NC(C4CC4)=O)=C3)=C2OC"	"BBRMAVGRWHNAIG-FIBGUPNXSA-N"	"InChI=1S/C22H21FN6O3/c1-24-22(31)15-11-25-18(29-21(30)12-6-7-12)8-17(15)28-16-5-3-4-14(19(16)32-2)20-26-9-13(23)10-27-20/h3-5,8-12H,6-7H2,1-2H3,(H,24,31)(H2,25,28,29,30)/i1D3"	""	""	""
"11838"	"BMS-986224"	""	"Synthetic organic"	""	""	""	""	"461663394"	"137106310"	""	""	""	""	""	""	""	"3-[5-[(5-chloropyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-1H-pyridin-2-one"	""	"BMS986224"	"CCOCc1c(c(c(c(=O)[nH]1)c1nnc(o1)Cc1ncc(cc1)Cl)O)c1c(cccc1OC)OC"	"AGZKELPIAJYRDT-UHFFFAOYSA-N"	"InChI=1S/C24H23ClN4O6/c1-4-34-12-15-19(20-16(32-2)6-5-7-17(20)33-3)22(30)21(23(31)27-15)24-29-28-18(35-24)10-14-9-8-13(25)11-26-14/h5-9,11H,4,10,12H2,1-3H3,(H2,27,30,31)"	""	""	""
"11024"	"BMS-986235"	""	"Synthetic organic"	""	""	""	""	"405560465"	"122583088"	""	""	""	""	""	""	""	"1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-phenylurea"	""	"BMS986235|compound 13c [PMID: 32407089]|LAR-1219|LAR1219"	"COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1"	"FJZNNKJZHQFMCK-LRDDRELGSA-N"	"InChI=1S/C18H17F2N3O3/c1-26-11-7-13(19)15(14(20)8-11)12-9-21-17(24)16(12)23-18(25)22-10-5-3-2-4-6-10/h2-8,12,16H,9H2,1H3,(H,21,24)(H2,22,23,25)/t12-,16-/m0/s1"	"yes"	""	""
"13877"	"BMS-986238"	""	"Peptide"	""	""	""	""	"513757562"	"172991800"	""	""	""	""	""	""	""	""	""	"BMS 986238|BMS986238"	"CCCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSCC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)CCCC)C)CC4=CN(C5=CC=CC=C54)CC(=O)O)CCN)CC6=CNC7=CC=CC=C76)O)CC(C)C)CN)CC(=O)N)C)C)CC8=CC=C(C=C8)O)C(=O)NCC(=O)N[C@@H](CC9=CN(N=N9)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CC(C)C"	"IQRNUGWYTJONBD-LJOMSQDUSA-N"	"InChI=1S/C143H224N26O40S/c1-11-13-37-117-134(187)154-107(76-93(3)4)131(184)160-115(129(182)149-86-124(175)152-113(143(197)198)81-99-88-167(162-161-99)53-55-200-57-59-202-61-63-204-65-67-206-69-71-208-73-75-209-74-72-207-70-68-205-66-64-203-62-60-201-58-56-199-54-51-147-122(173)48-47-106(142(195)196)150-123(174)41-27-25-23-21-19-17-15-16-18-20-22-24-26-28-42-126(177)178)91-210-92-125(176)151-110(78-96-43-45-100(170)46-44-96)137(190)163(8)95(7)128(181)156-112(83-121(146)172)139(192)168-52-33-40-118(168)135(188)159-114(84-145)133(186)157-109(77-94(5)6)140(193)169-89-101(171)82-120(169)136(189)155-108(79-97-85-148-104-36-31-29-34-102(97)104)132(185)153-105(49-50-144)130(183)158-111(138(191)165(10)119(38-14-12-2)141(194)164(117)9)80-98-87-166(90-127(179)180)116-39-32-30-35-103(98)116/h29-32,34-36,39,43-46,85,87-88,93-95,101,105-115,117-120,148,170-171H,11-28,33,37-38,40-42,47-84,86,89-92,144-145H2,1-10H3,(H2,146,172)(H,147,173)(H,149,182)(H,150,174)(H,151,176)(H,152,175)(H,153,185)(H,154,187)(H,155,189)(H,156,181)(H,157,186)(H,158,183)(H,159,188)(H,160,184)(H,177,178)(H,179,180)(H,195,196)(H,197,198)/t95-,101+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,117-,118-,119-,120-/m0/s1"	"yes"	""	""
"10662"	"BMS-986260"	""	"Synthetic organic"	""	""	""	""	"404859109"	"122510453"	""	""	""	""	""	""	""	"6-[5-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile"	""	"BMS986260|compound 10 [Velaparthi <i>et al</i>., 2020]|Example 32' [WO2016140884A1]"	"OCCn1cnc(c1c1ccc2n(n1)c(C#N)cn2)c1ccc(c(c1)Cl)F"	"VZZBCNXVZFAIQX-UHFFFAOYSA-N"	"InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2"	"yes"	""	""
"11798"	"BMS-986278"	""	"Synthetic organic"	""	""	""	""	"458923833"	"132232205"	""	""	""	""	""	""	""	"(1S,3S)-3-[2-methyl-6-[1-methyl-5-[[methyl(propyl)carbamoyl]oxymethyl]triazol-4-yl]pyridin-3-yl]oxycyclohexane-1-carboxylic acid"	""	"BMS986278|compound 33 [PMID: 34709814]"	"Cc1nc(c2c(COC(=O)N(C)CCC)n(C)nn2)ccc1O[C@@H]1C[C@@H](C(=O)O)CCC1"	"UEUNDURNLYLSNB-HOTGVXAUSA-N"	"InChI=1S/C22H31N5O5/c1-5-11-26(3)22(30)31-13-18-20(24-25-27(18)4)17-9-10-19(14(2)23-17)32-16-8-6-7-15(12-16)21(28)29/h9-10,15-16H,5-8,11-13H2,1-4H3,(H,28,29)/t15-,16-/m0/s1"	""	""	""
"11509"	"BMS-986299"	""	"Synthetic organic"	""	""	""	""	"441604881"	"137498152"	""	""	""	""	""	""	""	""	""	"BMS986299|compound 112 [WO2018152396A1]"	"CCN(C(=O)C)Cc1nc2c([nH]1)c1ccc(cc1nc2N)c1n[nH]cc1"	"UHNRLQRZRNKOKU-UHFFFAOYSA-N"	"InChI=1S/C18H19N7O/c1-3-25(10(2)26)9-15-22-16-12-5-4-11(13-6-7-20-24-13)8-14(12)21-18(19)17(16)23-15/h4-8H,3,9H2,1-2H3,(H2,19,21)(H,20,24)(H,22,23)"	""	""	""
"11728"	"BMS-986318"	""	"Synthetic organic"	""	""	""	""	"458923763"	"138592025"	""	""	""	""	""	""	""	""	""	"BMS986318|compound 1 [PMID: 34531950]"	"C1(CC1)c1c(c(no1)c1c(cncc1Cl)Cl)C1=CC2(C1)CCN(CC2)c1cc2c(cc(nc2cc1)C(=O)O)C(F)(F)F"	"WPGAVSDZYIRUGE-UHFFFAOYSA-N"	"InChI=1S/C30H23Cl2F3N4O3/c31-20-13-36-14-21(32)25(20)26-24(27(42-38-26)15-1-2-15)16-11-29(12-16)5-7-39(8-6-29)17-3-4-22-18(9-17)19(30(33,34)35)10-23(37-22)28(40)41/h3-4,9-11,13-15H,1-2,5-8,12H2,(H,40,41)"	""	""	""
"14390"	"BMS-986331"	""	"Synthetic organic"	""	""	""	""	"523352182"	"139450967"	""	""	"CHEMBL5560494"	""	""	""	""	"1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]urea"	""	"BMS986331|compound 16 [PMID: 41701653]"	"CP(C)(=O)C1=CC=CC=C1C2=C(F)C(F)=C(C=C2)N3CC[C@@H](NC(=O)NC4=CC=C(Cl)C=C4F)C3=O"	"SFUBFHYGOVTFKX-LJQANCHMSA-N"	"InChI=1S/C25H22ClF3N3O3P/c1-36(2,35)21-6-4-3-5-15(21)16-8-10-20(23(29)22(16)28)32-12-11-19(24(32)33)31-25(34)30-18-9-7-14(26)13-17(18)27/h3-10,13,19H,11-12H2,1-2H3,(H2,30,31,34)/t19-/m1/s1"	"yes"	""	""
"12109"	"BMS-986339"	""	"Synthetic organic"	""	""	""	""	"472319231"	"154683007"	""	""	""	""	""	""	""	"N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-3-hydroxy-N-[3-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-3-(trifluoromethyl)cyclobutane-1-carboxamide"	""	"BMS986339|compound 32 [PMID: 35704802]"	"CC(C)(F)c1nc(no1)C12CCC(CN(C(=O)[C@H]3C[C@@](O)(C3)C(F)(F)F)c3cccc(c3)c3ccc(cc3)C(C)(C)O)(CC1)CC2"	"AEMZJBZKICOPPC-RNMMDBENSA-N"	"InChI=1S/C35H41F4N3O4/c1-30(2,36)29-40-28(41-46-29)33-15-12-32(13-16-33,14-17-33)21-42(27(43)24-19-34(45,20-24)35(37,38)39)26-7-5-6-23(18-26)22-8-10-25(11-9-22)31(3,4)44/h5-11,18,24,44-45H,12-17,19-21H2,1-4H3/t24-,32?,33?,34+"	""	""	""
"13941"	"BMS-986449"	""	"Synthetic organic"	""	""	""	""	"513757626"	"165386881"	""	""	""	""	""	""	""	"(3S)-3-[(1R)-6-(6-amino-4,5-dimethylpyridin-2-yl)-7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione"	""	""	"O=C1N([C@@H]2C(NC(CC2)=O)=O)[C@H](C)C3=C(F)C(C4=CC(C)=C(C)C(N)=N4)=CC=C31"	"CNRNDVOTRSDMEF-ABAIWWIYSA-N"	"InChI=1S/C21H21FN4O3/c1-9-8-14(24-19(23)10(9)2)12-4-5-13-17(18(12)22)11(3)26(21(13)29)15-6-7-16(27)25-20(15)28/h4-5,8,11,15H,6-7H2,1-3H3,(H2,23,24)(H,25,27,28)/t11-,15+/m1/s1"	""	""	""
"14190"	"BMS-986463"	""	"Synthetic organic"	""	""	""	""	"518520817"	"170708061"	""	""	""	""	""	""	""	"(3S)-3-[6-[(3S)-1-[[8-fluoro-2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione"	""	"BMS986463|example S131 [WO2024006881]"	"C1CC(=O)NC(=O)[C@H]1N2CC3=C(C2=O)C=CC(=C3)O[C@H]4CCN(C4)CC5=CC(=C6C(=C5)C=CC(=N6)C7CCOCC7)F"	"JPTNRZBZSUZXCS-CUBQBAPOSA-N"	"InChI=1S/C32H33FN4O5/c33-26-14-19(13-21-1-4-27(34-30(21)26)20-8-11-41-12-9-20)16-36-10-7-24(18-36)42-23-2-3-25-22(15-23)17-37(32(25)40)28-5-6-29(38)35-31(28)39/h1-4,13-15,20,24,28H,5-12,16-18H2,(H,35,38,39)/t24-,28-/m0/s1"	""	""	""
"14200"	"BMS-986470"	""	"Synthetic organic"	""	""	""	""	"518520827"	"171554272"	""	""	""	""	""	""	""	"2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methylpyridin-4-yl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione"	""	"BMS986470|compound No. 32 [WO2024097932]"	"CN1C(=O)CCC2=CC(=C(NC3=CC=CC4=C3C(=O)N([C@H]5CCC(=O)NC5=O)C4=O)C=C12)C6=CC(C)=NC=C6"	"WTHBTFQJBVJOAO-QFIPXVFZSA-N"	"InChI=1S/C29H25N5O5/c1-15-12-16(10-11-30-15)19-13-17-6-9-25(36)33(2)23(17)14-21(19)31-20-5-3-4-18-26(20)29(39)34(28(18)38)22-7-8-24(35)32-27(22)37/h3-5,10-14,22,31H,6-9H2,1-2H3,(H,32,35,37)/t22-/m0/s1"	""	""	""
"14468"	"BMS-986482"	""	"Synthetic organic"	""	""	""	""	"528429789"	"172581346"	""	""	""	""	""	""	""	"3-[5-[4-(6-amino-4,5-dimethyl-2-pyridinyl)-2-fluorophenyl]-2-oxo-1,3-oxazol-3-yl]piperidine-2,6-dione"	""	"BMS986482|Example 1 [US12331045]"	"CC1=CC(=NC(=C1C)N)C2=CC(=C(C=C2)C3=CN(C(=O)O3)C4CCC(=O)NC4=O)F"	"PKEKMIKJWMHBLO-UHFFFAOYSA-N"	"InChI=1S/C21H19FN4O4/c1-10-7-15(24-19(23)11(10)2)12-3-4-13(14(22)8-12)17-9-26(21(29)30-17)16-5-6-18(27)25-20(16)28/h3-4,7-9,16H,5-6H2,1-2H3,(H2,23,24)(H,25,27,28)"	"yes"	""	""
"5808"	"BMS compound 16 [PMID:23368907]"	""	"Synthetic organic"	""	""	""	""	"178102433"	"11510579"	""	""	"CHEMBL2333770"	""	""	""	""	"1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea"	""	"BPTU"	"O=C(Nc1cccnc1Oc1ccccc1C(C)(C)C)Nc1ccc(cc1)OC(F)(F)F"	"AHFLGPTXSIRAQK-UHFFFAOYSA-N"	"InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)"	""	""	""
"5901"	"BMS compound 4c"	""	"Synthetic organic"	""	""	""	""	"178102524"	"71655433"	""	""	"CHEMBL2393201"	""	""	""	""	"2-(2-tert-butylphenoxy)-N-{5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}pyridin-3-amine"	""	""	"CC(c1ccccc1Oc1ncccc1Nc1nnc(s1)c1ccc(cc1)C(F)(F)F)(C)C"	"ROIKEXLVELZTIZ-UHFFFAOYSA-N"	"InChI=1S/C24H21F3N4OS/c1-23(2,3)17-7-4-5-9-19(17)32-20-18(8-6-14-28-20)29-22-31-30-21(33-22)15-10-12-16(13-11-15)24(25,26)27/h4-14H,1-3H3,(H,29,31)"	""	""	""
"3492"	"BMS compound 87b"	""	"Synthetic organic"	""	""	""	""	"178100481"	"9868459"	""	""	"CHEMBL50593"	""	""	""	""	"3-(3-acetylphenyl)-1-[3-[(2R,4S)-2-[(1S)-1-hydroxypropyl]-4-(phenylmethyl)piperidin-1-yl]propyl]urea"	""	""	"CC[C@@H]([C@H]1C[C@H](CCN1CCCNC(=O)Nc1cccc(c1)C(=O)C)Cc1ccccc1)O"	"UEKNCACYTQCRSI-RCXJIHSJSA-N"	"InChI=1S/C27H37N3O3/c1-3-26(32)25-18-22(17-21-9-5-4-6-10-21)13-16-30(25)15-8-14-28-27(33)29-24-12-7-11-23(19-24)20(2)31/h4-7,9-12,19,22,25-26,32H,3,8,13-18H2,1-2H3,(H2,28,29,33)/t22-,25-,26+/m1/s1"	""	""	""
"7030"	"BMS pyrazole inhibitor 7f"	""	"Synthetic organic"	""	""	""	""	"178103609"	"44219611"	""	""	"CHEMBL468927"	""	""	""	""	"(2S)-2-amino-N-[(3-{5-[5-(1,3-benzothiazol-7-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}phenyl)methyl]propanamide"	""	""	"O=C([C@@H](N)C)NCc1cccc(c1)n1nc(cc1c1nnc(o1)c1cccc2c1scn2)C(F)(F)F"	"KODBDIFHMBDFOH-LBPRGKRZSA-N"	"InChI=1S/C23H18F3N7O2S/c1-12(27)20(34)28-10-13-4-2-5-14(8-13)33-17(9-18(32-33)23(24,25)26)22-31-30-21(35-22)15-6-3-7-16-19(15)36-11-29-16/h2-9,11-12H,10,27H2,1H3,(H,28,34)/t12-/m0/s1"	""	""	""
"14026"	"BmTx1"	""	"Peptide"	""	""	""	""	"518520653"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14025"	"BmTx2"	""	"Peptide"	""	""	""	""	"518520652"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9269"	"BMX-IN-1"	""	"Synthetic organic"	""	""	""	""	"315661344"	"71576693"	""	""	""	""	""	""	""	"N-[5-[9-[4-(methanesulfonamido)phenyl]-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide"	""	"Example 1-14 [ WO2014063054]"	"C=CC(=O)Nc1cc(ccc1C)n1c(=O)ccc2c1c1cc(ccc1nc2)c1ccc(cc1)NS(=O)(=O)C"	"SFMJNHNUOVADRW-UHFFFAOYSA-N"	"InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)"	""	""	""
"8"	"BMY-14802"	""	"Synthetic organic"	""	""	""	""	"135650007"	"108046"	""	""	"CHEMBL60859"	""	""	""	""	"1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol"	""	"BMY 14802|BMY14802"	"Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(cn1)F)O"	"ZXUYYZPJUGQHLQ-UHFFFAOYSA-N"	"InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2"	""	""	""
"2981"	"BMY-21950"	""	"Synthetic organic"	""	""	""	""	"135649775"	"23665941"	""	""	""	""	""	""	""	"sodium (3S,5R,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoate"	""	"BMY 21950|BMY21950|compound 4 [PMID: 1992149]"	"O[C@@H](C[C@H](/C=C/C(=C(c1ccc(cc1)F)c1ccc(cc1)F)c1nnnn1C)O)CC(=O)[O-].[Na+]"	"NTDIRNUKAZNMSW-IYVGUKHKSA-M"	"InChI=1S/C23H22F2N4O4.Na/c1-29-23(26-27-28-29)20(11-10-18(30)12-19(31)13-21(32)33)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15;/h2-11,18-19,30-31H,12-13H2,1H3,(H,32,33);/q;+1/p-1/b11-10+;/t18-,19-;/m0./s1"	""	""	""
"2973"	"BMY 22089"	""	"Synthetic organic"	""	""	""	""	"135649806"	"6439149"	""	""	"CHEMBL2367463"	""	""	""	""	"(4S,6R)-6-[(1E)-4,4-bis(4-fluorophenyl)-3-(1-methyltetrazol-5-yl)buta-1,3-dienyl]-4-hydroxyoxan-2-one"	""	"BMY-22089|BMY22089|compound 4a [PMID: 2231596]"	"O[C@@H]1CC(=O)O[C@H](C1)/C=C/C(=C(c1ccc(cc1)F)c1ccc(cc1)F)c1nnnn1C"	"VIMMECPCYZXUCI-MIMFYIINSA-N"	"InChI=1S/C23H20F2N4O3/c1-29-23(26-27-28-29)20(11-10-19-12-18(30)13-21(31)32-19)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15/h2-11,18-19,30H,12-13H2,1H3/b11-10+/t18-,19-/m0/s1"	""	""	""
"1963"	"BMY 45778"	""	"Synthetic organic"	""	""	""	""	"135650008"	"127861"	""	""	"CHEMBL125569"	""	""	""	""	"2-[3-[4-[4,5-di(phenyl)-1,3-oxazol-2-yl]-1,3-oxazol-5-yl]phenoxy]acetic acid"	""	"BMY-45778|BMY45778"	"OC(=O)COc1cccc(c1)c1ocnc1c1nc(c(o1)c1ccccc1)c1ccccc1"	"DSRSEEYZGWTODH-UHFFFAOYSA-N"	"InChI=1S/C26H18N2O5/c29-21(30)15-31-20-13-7-12-19(14-20)24-23(27-16-32-24)26-28-22(17-8-3-1-4-9-17)25(33-26)18-10-5-2-6-11-18/h1-14,16H,15H2,(H,29,30)"	""	""	""
"9"	"BMY-7378"	""	"Synthetic organic"	""	""	""	""	"135650009"	"2419"	""	""	"CHEMBL13647"	""	""	""	""	"8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione"	""	"BMY 7378|BMY7378"	"COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2"	"AYYCFGDXLUPJAQ-UHFFFAOYSA-N"	"InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3"	""	""	""
"1851"	"BN 50739"	""	"Synthetic organic"	""	""	""	""	"135650010"	"115002"	""	""	""	""	""	""	""	"9-(2-chlorophenyl)-14-{2-[(3,4-dimethoxyphenyl)sulfanyl]ethanethioyl}-3-methyl-17-thia-2,4,5,8,14-pentaazatetracyclo[8.7.0.0^{2,6}.0^{11,16}]heptadeca-1(10),3,5,8,11(16)-pentaene"	""	"BN-50739|BN50739"	"COc1ccc(cc1OC)SCC(=S)N1CCc2c(C1)sc1c2C(=NCc2n1c(C)nn2)c1ccccc1Cl"	"MRVWRDZEYURFSW-UHFFFAOYSA-N"	"InChI=1S/C28H26ClN5O2S3/c1-16-31-32-24-13-30-27(18-6-4-5-7-20(18)29)26-19-10-11-33(14-23(19)39-28(26)34(16)24)25(37)15-38-17-8-9-21(35-2)22(12-17)36-3/h4-9,12H,10-11,13-15H2,1-3H3"	""	""	""
"2070"	"BN-81,644"	""	"Synthetic organic"	""	""	""	""	"135650011"	"9802572"	""	""	"CHEMBL2069499"	""	""	""	""	"(3R)-1,1-dibutyl-3-(4-phenyl-3H-imidazol-2-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole"	""	"BN 81,644|BN 81644|BN-81644|BN81,644|BN81644"	"CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1"	"FOBFICSYUINKAA-XMMPIXPASA-N"	"InChI=1S/C28H34N4/c1-3-5-16-28(17-6-4-2)26-22(21-14-10-11-15-23(21)30-26)18-24(32-28)27-29-19-25(31-27)20-12-8-7-9-13-20/h7-15,19,24,30,32H,3-6,16-18H2,1-2H3,(H,29,31)/t24-/m1/s1"	""	""	""
"2071"	"BN-81,674"	""	"Synthetic organic"	""	""	""	""	"135650012"	"5311378"	""	""	""	""	""	""	""	"(3R)-1,1-dipentyl-3-(4-phenyl-3H-imidazol-2-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole"	""	"BN 81,674|BN 81674|BN-81674|BN81,674|BN81674"	"CCCCCC1(CCCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1"	"DGSMSHNIDMODOQ-AREMUKBSSA-N"	"InChI=1S/C30H38N4/c1-3-5-12-18-30(19-13-6-4-2)28-24(23-16-10-11-17-25(23)32-28)20-26(34-30)29-31-21-27(33-29)22-14-8-7-9-15-22/h7-11,14-17,21,26,32,34H,3-6,12-13,18-20H2,1-2H3,(H,31,33)/t26-/m1/s1"	""	""	""
"10693"	"BNC375"	""	"Synthetic organic"	""	""	""	""	"404859140"	"118160666"	""	""	""	""	""	""	""	"4-[(1R,3R)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide"	""	"CS-0095916|HY-128575"	"COc1ccc(cc1NC[C@@H]1[C@H](C1(C)C)c1ccc(cc1)S(=O)(=O)N)Cl"	"LWWDCTBUJUEFDE-CRAIPNDOSA-N"	"InChI=1S/C19H23ClN2O3S/c1-19(2)15(11-22-16-10-13(20)6-9-17(16)25-3)18(19)12-4-7-14(8-5-12)26(21,23)24/h4-10,15,18,22H,11H2,1-3H3,(H2,21,23,24)/t15-,18-/m1/s1"	""	""	""
"1634"	"BNTX"	""	"Synthetic organic"	""	""	""	""	"135650013"	"6438353"	""	""	"CHEMBL101519"	""	""	""	""	"(1S,5R,13R,15Z,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-15-(phenylmethylidene)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-14-one"	""	"7-benzylidenenaltrexone|Bntx-7"	"O=C1/C(=C\c2ccccc2)/C[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O"	"WXOUFNFMPVMGFZ-XEGDMQTMSA-N"	"InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12-/t21-,25+,26+,27-/m1/s1"	""	""	""
"8963"	"BO1"	""	"Synthetic organic"	""	""	""	""	"315661099"	"3320547"	""	""	"CHEMBL255738"	""	""	""	""	"4-fluoro-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide"	""	"Bcr-abl Inhibitor II"	"Fc1ccc(cc1)CSc1nnc(s1)NC(=O)c1ccc(cc1)F"	"ZDYQINDXPNAOKX-UHFFFAOYSA-N"	"InChI=1S/C16H11F2N3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)"	""	""	""
"2042"	"BOC-ATE"	""	"Peptide"	""	""	""	""	"135652043"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7876"	"boceprevir"	""	"Synthetic organic"	"yes"	"yes"	""	""	"223366205"	"10324367"	""	""	"CHEMBL218394"	""	""	""	""	"(1R,2S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide"	"boceprevir"	"EBP-520|EBP520|SCH-503034|SCH503034|Victrelis&reg;"	"O=C(NC(C)(C)C)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C"	"LHHCSNFAOIFYRV-DOVBMPENSA-N"	"InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1"	""	""	""
"7730"	"bococizumab"	""	"Antibody"	""	""	""	""	"223366063"	"0"	""	""	""	""	""	""	""	""	"bococizumab"	"PF-04950615|RN-316|RN316"	""	""	""	""	""	""
"14313"	"bocunebart"	""	"Antibody"	""	""	""	""	"523352105"	"0"	""	""	""	""	""	""	""	""	"bocunebart"	"ALD-1910|ALD1910|LU AG-09222|Lu AG09222|Lu-AG09222|LuAG09222"	""	""	""	""	""	""
"13134"	"BODIPY FL-prazosin"	""	"Synthetic organic"	""	""	"yes"	""	"491299916"	"0"	""	""	""	""	""	""	""	""	""	"QAPB"	"O=C(CCC1=CC=C2C=C3C(C)=CC(C)=[N]3[B+3]([F-])([N-]21)[F-])N4CCN(CC4)C5=NC6=C(C=C(C(OC)=C6)OC)C(N)=N5"	"MMLZVKZJBCHCMI-UHFFFAOYSA-N"	"InChI=1S/C28H32BF2N7O3/c1-17-13-18(2)37-23(17)14-20-6-5-19(38(20)29(37,30)31)7-8-26(39)35-9-11-36(12-10-35)28-33-22-16-25(41-4)24(40-3)15-21(22)27(32)34-28/h5-6,13-16H,7-12H2,1-4H3,(H2,32,33,34)"	""	""	""
"8604"	"BODIPY-pirenzepine"	""	"Synthetic organic"	""	""	"yes"	""	"252166805"	"101244456"	""	""	""	""	""	""	""	"3-[1-difluoroboranyl-5-[(E)-(5-thiophen-2-ylpyrrol-2-ylidene)methyl]pyrrol-2-yl]-N-[6-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]hexyl]propanamide"	""	"Bodipy[558/568]Pirenzepine|BoPz"	"O=C(CCc1ccc(n1B(F)F)/C=C/1\C=CC(=N1)c1cccs1)NCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2"	"QGXCAYBSIKPOHP-ORIPQNMZSA-N"	"InChI=1S/C40H43BF2N8O3S/c42-41(43)51-30(14-15-31(51)27-29-13-17-33(46-29)36-12-8-26-55-36)16-18-37(52)44-19-5-1-2-6-21-48-22-24-49(25-23-48)28-38(53)50-35-11-4-3-9-32(35)40(54)47-34-10-7-20-45-39(34)50/h3-4,7-15,17,20,26-27H,1-2,5-6,16,18-19,21-25,28H2,(H,44,52)(H,47,54)/b29-27+"	""	""	""
"3858"	"BODIPY<sup>&reg;</sup> TMR-NMU"	""	"Peptide"	""	""	""	""	"178100697"	"155817462"	""	""	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O"	"MONONPDJQRYSOP-YJFQKBDPSA-N"	"InChI=1S/C141H202N40O39/c1-74(2)61-93(124(206)171-97(65-80-33-17-9-18-34-80)127(209)168-92(40-24-58-157-141(152)153)135(217)180-59-25-41-104(180)132(214)167-86(38-22-56-155-139(148)149)117(199)175-100(137(219)220)68-108(145)188)169-128(210)98(66-81-35-19-10-20-36-81)172-125(207)94(67-82-43-45-83(185)46-44-82)160-109(189)70-158-116(198)85(37-21-55-154-138(146)147)162-131(213)102(72-183)177-120(202)88(47-51-106(143)186)166-130(212)101(71-182)176-114(196)76(5)159-123(205)95(63-78-29-13-7-14-30-78)173-133(215)105-42-26-60-181(105)136(218)103(73-184)178-121(203)89(48-52-107(144)187)164-126(208)96(64-79-31-15-8-16-32-79)170-119(201)91(50-54-111(192)193)163-118(200)90(49-53-110(190)191)165-129(211)99(69-112(194)195)174-134(216)113(75(3)4)179-122(204)87(39-23-57-156-140(150)151)161-115(197)84(142)62-77-27-11-6-12-28-77/h6-20,27-36,43-46,74-76,84-105,113,182-185H,21-26,37-42,47-73,142H2,1-5H3,(H2,143,186)(H2,144,187)(H2,145,188)(H,158,198)(H,159,205)(H,160,189)(H,161,197)(H,162,213)(H,163,200)(H,164,208)(H,165,211)(H,166,212)(H,167,214)(H,168,209)(H,169,210)(H,170,201)(H,171,206)(H,172,207)(H,173,215)(H,174,216)(H,175,199)(H,176,196)(H,177,202)(H,178,203)(H,179,204)(H,190,191)(H,192,193)(H,194,195)(H,219,220)(H4,146,147,154)(H4,148,149,155)(H4,150,151,156)(H4,152,153,157)/t76-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,113-/m0/s1"	""	""	""
"12368"	"boditrectinib"	""	"Synthetic organic"	""	""	""	""	"479821159"	"121395201"	""	""	""	""	""	""	""	"(E)-3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-piperazin-1-ylprop-2-en-1-one"	"boditrectinib"	"AUM-601|AUM601|CHC 2014|CHC2014|Chemical Compound 50 [US20160168156A1]|HL 5101|HL5101|NOV 1601|NOV-1601"	"C1C[C@@H](N(C1)c1nc2c(cnn2cc1)/C=C/C(=O)N1CCNCC1)c1c(ccc(c1)F)F"	"BQFYCHBYISNPFW-SQZHUTIHSA-N"	"InChI=1S/C23H24F2N6O/c24-17-4-5-19(25)18(14-17)20-2-1-10-30(20)21-7-11-31-23(28-21)16(15-27-31)3-6-22(32)29-12-8-26-9-13-29/h3-7,11,14-15,20,26H,1-2,8-10,12-13H2/b6-3+/t20-/m1/s1"	""	""	""
"14413"	"boeravirone B"	""	"Natural product"	""	""	""	""	"523352205"	"14018348"	""	""	"CHEMBL376240"	""	""	""	""	"6,9,11-trihydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one"	""	""	"CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3O)O"	"YVVDYYFGAWQOGB-UHFFFAOYSA-N"	"InChI=1S/C17H12O6/c1-7-9(18)6-11-13(14(7)19)15(20)12-8-4-2-3-5-10(8)23-17(21)16(12)22-11/h2-6,17-19,21H,1H3"	""	""	"yes"
"11070"	"bofutrelvir"	""	"Synthetic organic"	""	""	""	""	"434122131"	"145343771"	""	""	""	""	""	""	""	"N-[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1H-indole-2-carboxamide"	"bofutrelvir"	"compound 11a [PMID: 32321856]|DC-402234|DC402234|FB-2001|FB2001"	"O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](NC(=O)c1cc2c([nH]1)cccc2)CC1CCCCC1"	"HPKJGHVHQWJOOT-ZJOUEHCJSA-N"	"InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1"	""	""	""
"5938"	"bohemine"	""	"Synthetic organic"	""	""	""	""	"178102561"	"2422"	""	""	"CHEMBL83980"	""	""	""	""	"3-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}propan-1-ol"	""	""	"OCCCNc1nc(NCc2ccccc2)c2c(n1)n(cn2)C(C)C"	"OPQGFIAVPSXOBO-UHFFFAOYSA-N"	"InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23)"	""	""	""
"1421"	"BOMA"	""	"Synthetic organic"	""	""	""	""	"135650014"	"10192854"	""	""	""	""	""	""	""	"2-[4-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]acetonitrile"	""	""	"N#CCc1ccc(cc1OC)c1nc2c(o1)cccc2"	"LWSOZPNJUFEDJU-UHFFFAOYSA-N"	"InChI=1S/C16H12N2O2/c1-19-15-10-12(7-6-11(15)8-9-17)16-18-13-4-2-3-5-14(13)20-16/h2-7,10H,8H2,1H3"	""	""	""
"616"	"bombesin"	""	"Peptide"	""	""	""	""	"135652044"	"16133800"	""	""	"CHEMBL437027"	""	""	""	""	""	""	""	"CSCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)N)CCCNC(=N)N)CC(C)C)CC(=O)N)CCC(=O)N)C)CC(C)C"	"QXZBMSIDSOZZHK-DOPDSADYSA-N"	"InChI=1S/C71H110N24O18S/c1-34(2)24-47(92-62(105)43(14-11-22-79-71(76)77)89-64(107)45(15-18-52(72)96)90-63(106)44-17-20-55(99)85-44)61(104)81-31-56(100)87-51(28-54(74)98)69(112)91-46(16-19-53(73)97)65(108)94-49(26-38-29-80-41-13-10-9-12-40(38)41)66(109)84-37(7)60(103)95-58(36(5)6)70(113)82-32-57(101)86-50(27-39-30-78-33-83-39)68(111)93-48(25-35(3)4)67(110)88-42(59(75)102)21-23-114-8/h9-10,12-13,29-30,33-37,42-51,58,80H,11,14-28,31-32H2,1-8H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,102)(H,78,83)(H,81,104)(H,82,113)(H,84,109)(H,85,99)(H,86,101)(H,87,100)(H,88,110)(H,89,107)(H,90,106)(H,91,112)(H,92,105)(H,93,111)(H,94,108)(H,95,103)(H4,76,77,79)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1"	""	""	""
"7924"	"BOMPPA"	""	"Synthetic organic"	""	""	""	""	"249565607"	"71508234"	""	""	"CHEMBL2326202"	""	""	""	""	"N-[3-[5-methoxy-2-[(3-methoxyphenyl)methyl]phenyl]propyl]propanamide"	""	"benzyloxy-methoxyphenyl-propylamide|compound 10 [PMID: 23228808]"	"CCC(=O)NCCCc1cc(OC)ccc1Cc1cccc(c1)OC"	"GJRIGACGWLYZAO-UHFFFAOYSA-N"	"InChI=1S/C21H27NO3/c1-4-21(23)22-12-6-8-17-15-20(25-3)11-10-18(17)13-16-7-5-9-19(14-16)24-2/h5,7,9-11,14-15H,4,6,8,12-13H2,1-3H3,(H,22,23)"	""	""	""
"4689"	"bongkrek acid"	""	"Natural product"	""	""	""	""	"53801038"	"6433556"	""	""	""	""	""	""	""	"(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(carboxymethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioic acid"	""	"BKA|bongkrekic acid|flavotoxin A"	"CO[C@@H](/C(=C\C=C(\C(=O)O)/C)/C)C/C=C\C=C\CC/C=C/C[C@@H](/C=C/C(=C\C(=O)O)/CC(=O)O)C"	"SHCXABJSXUACKU-WUTQZGRKSA-N"	"InChI=1S/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+/t21-,25+/m0/s1"	""	""	""
"12045"	"BOP"	""	"Peptide"	""	""	""	""	"472319168"	"10301396"	""	""	"CHEMBL288474"	""	""	""	""	""	""	"compound 2 [PMID:  24363056]|compound 3 [PMID: 12033947]|N-(Benzenesulfonyl)-L-prolyl-L-O-(1-pyrrolidinylcarbonyl)tyrosine"	"OC(=O)[C@H](Cc1ccc(OC(=O)N2CCCC2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1"	"MGKZYWCSUHALDJ-VXKWHMMOSA-N"	"InChI=1S/C25H29N3O7S/c29-23(22-9-6-16-28(22)36(33,34)20-7-2-1-3-8-20)26-21(24(30)31)17-18-10-12-19(13-11-18)35-25(32)27-14-4-5-15-27/h1-3,7-8,10-13,21-22H,4-6,9,14-17H2,(H,26,29)(H,30,31)/t21-,22-/m0/s1"	""	""	""
"6413"	"borneol"	""	"Natural product"	"yes"	""	""	""	"178103029"	"6552009"	""	""	"CHEMBL486208"	""	""	""	""	"(1R,4R,6S)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol"	""	"(+)-borneol|camphol|dexborneol|isoborneol"	"O[C@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C"	"DTGKSKDOIYIVQL-WEDXCCLWSA-N"	"InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1"	""	""	""
"13447"	"boromycin"	""	"Natural product"	""	""	""	""	"500839857"	"6436027"	""	""	""	""	""	""	""	"[(1R)-1-[(1R,5S,7E,11S,13S,16R,17R,24S,25R,27R,31R,33S,36R)-11,31-dihydroxy-12,12,16,25,32,32,36-heptamethyl-3,22-dioxo-4,18,20,23,26,37,38,40,41-nonaoxa-19-boranuidaheptacyclo[17.17.1.11,33.12,19.113,17.124,27.017,21]hentetracont-7-en-5-yl]ethyl] (2R)-2-amino-3-methylbutanoate"	""	""	"[B-]123OC4C(=O)O[C@@H](C/C=C/CC[C@@H](C([C@@H]5CC[C@H]([C@@](O1)(O5)C(O2)C(=O)O[C@H]6C[C@@H](CCC[C@H](C([C@@H]7CC[C@H]([C@@]4(O3)O7)C)(C)C)O)O[C@@H]6C)C)(C)C)O)[C@@H](C)OC(=O)[C@@H](C(C)C)N"	"OOBFYEMEQCZLJL-XURNZCJASA-N"	"InChI=1S/C45H73BNO15/c1-24(2)36(47)39(50)54-27(5)30-16-12-11-13-17-32(48)42(7,8)34-21-19-26(4)45(57-34)38-41(52)56-31-23-29(53-28(31)6)15-14-18-33(49)43(9,10)35-22-20-25(3)44(58-35)37(40(51)55-30)59-46(60-38,61-44)62-45/h11-12,24-38,48-49H,13-23,47H2,1-10H3/q-1/b12-11+/t25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37?,38?,44+,45+,46?/m1/s1"	""	"yes"	"yes"
"11306"	"borrelidin"	""	"Natural product"	""	""	""	""	"434321741"	"6436801"	""	""	"CHEMBL70590"	""	""	""	""	"(1R,2R)-2-[(2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid"	""	"(-)-borrelidin"	"N#C/C/1=C/C=C/C[C@H](OC(=O)C[C@@H]([C@H](C[C@H](C[C@H](C[C@@H]([C@H]1O)C)C)C)C)O)[C@@H]1CCC[C@H]1C(=O)O"	"OJCKRNPLOZHAOU-UGKRXNSESA-N"	"InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8-/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1"	""	"yes"	"yes"
"6391"	"bortezomib"	""	"Synthetic organic"	"yes"	""	""	""	"178103007"	"387447"	""	""	"CHEMBL325041"	""	""	""	""	"[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid"	"bortezomib"	"peptide boronate|PS-341|Velcade&reg;"	"CC(C[C@@H](B(O)O)NC(=O)[C@@H](NC(=O)c1cnccn1)Cc1ccccc1)C"	"GXJABQQUPOEUTA-RDJZCZTQSA-N"	"InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1"	"yes"	"yes"	""
"12706"	"BOS172722"	""	"Synthetic organic"	""	""	""	""	"483123254"	"73386890"	""	""	"CHEMBL3924132"	""	""	""	""	"8-N-(2,2-dimethylpropyl)-2-N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine"	""	"BOS-172722|compound 36 [PMID: 30199249]"	"CCOC1=C(NC2=NC=3C(NCC(C)(C)C)=NC(C)=CC3C=N2)C=CC(C4=NN=CN4C)=C1"	"SGWLRDAOCLITOM-UHFFFAOYSA-N"	"InChI=1S/C24H30N8O/c1-7-33-19-11-16(22-31-27-14-32(22)6)8-9-18(19)29-23-25-12-17-10-15(2)28-21(20(17)30-23)26-13-24(3,4)5/h8-12,14H,7,13H2,1-6H3,(H,26,28)(H,25,29,30)"	""	""	""
"3494"	"bosentan"	""	"Synthetic organic"	"yes"	""	""	""	"178100482"	"104865"	""	""	"CHEMBL957"	""	""	""	""	"4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide"	"bosentan"	"RO 47-0203|Tracleer&reg;"	"OCCOc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1"	"GJPICJJJRGTNOD-UHFFFAOYSA-N"	"InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)"	""	""	""
"13486"	"bosmolisib"	""	"Synthetic organic"	""	""	""	""	"500839896"	"134427646"	""	""	""	""	""	""	""	"4-[[(1S)-1-(4,8-dichloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one"	"bosmolisib"	"BR-101801|BR101801|example 1 [WO2019139399A1]|example 10 [WO2016204429]"	"C[C@@H](C1=C(C2=C(C(=CC=C2)Cl)C(=O)N1C3=CC=CC=C3)Cl)NC4=NC=NC5=C4C(=O)C=CN5"	"HIXUFHUKIOTXLJ-ZDUSSCGKSA-N"	"InChI=1S/C24H17Cl2N5O2/c1-13(30-23-19-17(32)10-11-27-22(19)28-12-29-23)21-20(26)15-8-5-9-16(25)18(15)24(33)31(21)14-6-3-2-4-7-14/h2-13H,1H3,(H2,27,28,29,30,32)/t13-/m0/s1"	""	""	""
"5710"	"bosutinib"	""	"Synthetic organic"	"yes"	""	""	""	"178102336"	"5328940"	""	""	"CHEMBL288441"	""	""	""	""	"4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile"	"bosutinib"	"Bosulif&reg;|SK 606|SK-606|SKI 606"	"COc1cc2c(cc1OCCCN1CCN(CC1)C)ncc(c2Nc1cc(OC)c(cc1Cl)Cl)C#N"	"UBPYILGKFZZVDX-UHFFFAOYSA-N"	"InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)"	"yes"	""	"yes"
"14590"	"botensilimab"	""	"Antibody"	""	""	""	""	"530846838"	"0"	""	""	""	""	""	""	""	""	"botensilimab"	"AGEN-1181|AGEN1181"	""	""	""	"yes"	""	""
"4058"	"bovine adrenal medulla peptide 8-22"	"Human"	"Peptide"	""	""	""	""	"178100882"	"16158367"	"P01210"	"ENSG00000181195"	"CHEMBL3343989"	""	""	""	""	""	""	"BAM (8-22)|BAM 8-22|BAM-15|BAM-22|BAM-22P (8-22)"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)N)CCCNC(=N)N)CCC(=O)O)CCSC)CC(=O)O)Cc1ccc(cc1)O)CCC(=O)N"	"GOEYECACIBFJGZ-NPAGUKBMSA-N"	"InChI=1S/C91H127N25O23S/c1-48(2)76(94)88(138)103-46-72(120)105-64(19-11-36-100-91(97)98)89(139)116-37-12-20-70(116)87(137)110-62(30-32-73(121)122)81(131)113-68(42-52-45-102-58-16-7-5-14-56(52)58)85(135)114-67(41-51-44-101-57-15-6-4-13-55(51)57)84(134)109-63(33-38-140-3)82(132)115-69(43-74(123)124)86(136)112-66(40-50-23-27-54(118)28-24-50)83(133)108-61(29-31-71(93)119)80(130)106-59(17-8-9-34-92)78(128)107-60(18-10-35-99-90(95)96)79(129)111-65(77(127)104-47-75(125)126)39-49-21-25-53(117)26-22-49/h4-7,13-16,21-28,44-45,48,59-70,76,101-102,117-118H,8-12,17-20,29-43,46-47,92,94H2,1-3H3,(H2,93,119)(H,103,138)(H,104,127)(H,105,120)(H,106,130)(H,107,128)(H,108,133)(H,109,134)(H,110,137)(H,111,129)(H,112,136)(H,113,131)(H,114,135)(H,115,132)(H,121,122)(H,123,124)(H,125,126)(H4,95,96,99)(H4,97,98,100)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,76-/m0/s1"	""	""	""
"7625"	"BP 897"	""	"Synthetic organic"	""	""	""	""	"223365960"	"3038495"	""	""	"CHEMBL25236"	""	""	""	""	"N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide"	""	"BP-897|BP897"	"COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2"	"MNHDKMDLOJSCGN-UHFFFAOYSA-N"	"InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)"	""	""	""
"13392"	"BPAM344"	""	"Synthetic organic"	""	""	""	""	"496703362"	"67531324"	""	""	"CHEMBL2441067"	""	""	""	""	"4-cyclopropyl-7-fluoro-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide"	""	""	"C1CC1N2CNS(=O)(=O)C3=C2C=CC(=C3)F"	"FLTMTBPCYAZIKM-UHFFFAOYSA-N"	"InChI=1S/C10H11FN2O2S/c11-7-1-4-9-10(5-7)16(14,15)12-6-13(9)8-2-3-8/h1,4-5,8,12H,2-3,6H2"	""	""	""
"1452"	"[Bpa<sup>1</sup>,Ile<sup>13</sup>]motilin (human)"	""	"Peptide"	""	""	""	""	"135652045"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1154"	"[Bpa<sup>6</sup>,Tyr<sup>10</sup>]secretin-27 (rat)"	""	"Peptide"	""	""	"yes"	"yes"	"135652046"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"752"	"BP-CCL3"	""	"Peptide"	""	""	""	""	"135652047"	"0"	""	""	""	""	""	""	""	""	""	"BP-LD78&alpha;|BP-MIP-1&alpha;|photoactivatable macrophage inflammatory protein-1&alpha;"	""	""	""	""	""	""
"3198"	"BPH-252"	""	"Synthetic organic"	""	""	""	""	"135650015"	"5276503"	""	""	"CHEMBL54004"	""	""	""	""	"(1-hydroxy-1-phosphonodecyl)phosphonic acid"	""	"BPH 252|BPH252"	"CCCCCCCCCC(P(=O)(O)O)(P(=O)(O)O)O"	"NSCPCMXKWUFFNL-UHFFFAOYSA-N"	"InChI=1S/C10H24O7P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)"	""	""	""
"7977"	"BPH-608"	""	"Synthetic organic"	""	""	""	""	"249565660"	"16086422"	""	""	"CHEMBL213490"	""	""	""	""	"[1-hydroxy-2-[3-(3-phenylphenyl)phenyl]-1-phosphonoethyl]phosphonic acid"	""	"BPH 608|BPH608"	"OC(P(=O)(O)O)(P(=O)(O)O)Cc1cccc(c1)c1cccc(c1)c1ccccc1"	"YXQQNSYZOQHKHD-UHFFFAOYSA-N"	"InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-6-4-9-17(12-15)19-11-5-10-18(13-19)16-7-2-1-3-8-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)"	""	""	""
"3188"	"BPH-628"	""	"Synthetic organic"	""	""	""	""	"135650016"	"16122554"	""	""	"CHEMBL262616"	""	""	""	""	"{1-hydroxy-2-[3-(4-phenylphenyl)phenyl]-1-phosphonoethyl}phosphonic acid"	""	"B28|BPH 628|BPH628"	"OP(=O)(C(P(=O)(O)O)(Cc1cccc(c1)c1ccc(cc1)c1ccccc1)O)O"	"MPBUFKZCEBTBSK-UHFFFAOYSA-N"	"InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-5-4-8-19(13-15)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)"	""	""	""
"7976"	"BPH-629"	""	"Synthetic organic"	""	""	""	""	"249565659"	"16122553"	""	""	"CHEMBL411274"	""	""	""	""	"[2-(3-dibenzofuran-4-ylphenyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid"	""	"BPH 629|BPH629"	"OP(=O)(C(P(=O)(O)O)(Cc1cccc(c1)c1cccc2c1oc1c2cccc1)O)O"	"BYVXAUZOTGITQZ-UHFFFAOYSA-N"	"InChI=1S/C20H18O8P2/c21-20(29(22,23)24,30(25,26)27)12-13-5-3-6-14(11-13)15-8-4-9-17-16-7-1-2-10-18(16)28-19(15)17/h1-11,21H,12H2,(H2,22,23,24)(H2,25,26,27)"	""	""	""
"7975"	"BPH-675"	""	"Synthetic organic"	""	""	""	""	"249565658"	"16122555"	""	""	"CHEMBL259026"	""	""	""	""	"[1-hydroxy-2-[3-[3-(naphthalen-2-ylsulfonylamino)phenyl]phenyl]-1-phosphonoethyl]phosphonic acid"	""	"BPH 675|BPH675"	"OP(=O)(C(P(=O)(O)O)(Cc1cccc(c1)c1cccc(c1)NS(=O)(=O)c1ccc2c(c1)cccc2)O)O"	"MZVWVRVNMXTDAK-UHFFFAOYSA-N"	"InChI=1S/C24H23NO9P2S/c26-24(35(27,28)29,36(30,31)32)16-17-5-3-8-19(13-17)20-9-4-10-22(14-20)25-37(33,34)23-12-11-18-6-1-2-7-21(18)15-23/h1-15,25-26H,16H2,(H2,27,28,29)(H2,30,31,32)"	""	""	""
"7978"	"BPH-676"	""	"Synthetic organic"	""	""	""	""	"249565661"	"16122556"	""	""	"CHEMBL260880"	""	""	""	""	"[1-hydroxy-2-[3-(3-phenylphenyl)phenoxy]-1-phosphonoethyl]phosphonic acid"	""	"BPH 676|BPH676"	"OP(=O)(C(P(=O)(O)O)(COc1cccc(c1)c1cccc(c1)c1ccccc1)O)O"	"NWIARQRYIRVYCM-UHFFFAOYSA-N"	"InChI=1S/C20H20O8P2/c21-20(29(22,23)24,30(25,26)27)14-28-19-11-5-10-18(13-19)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)"	""	""	""
"3196"	"BPH-715"	""	"Synthetic organic"	""	""	""	""	"135650017"	"25014899"	""	""	"CHEMBL494897"	""	""	""	""	"3-(decyloxy)-1-(2-hydrogen phosphonato-2-phosphonoethyl)pyridin-1-ium"	""	"BPH 715|BPH715"	"CCCCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)[O-]"	"QYJHUOZDBUEKQC-UHFFFAOYSA-N"	"InChI=1S/C17H31NO7P2/c1-2-3-4-5-6-7-8-9-13-25-16-11-10-12-18(14-16)15-17(26(19,20)21)27(22,23)24/h10-12,14,17H,2-9,13,15H2,1H3,(H3-,19,20,21,22,23,24)"	""	""	""
"3189"	"BPH-742"	""	"Synthetic organic"	""	""	""	""	"135650018"	"25023860"	""	""	"CHEMBL291314"	""	""	""	""	"hydrogen [2-(dodecyldimethylphosphaniumyl)-1-phosphonoethyl]phosphonate"	""	"bisphosphonate, 9|BPH 742|BPH742"	"CCCCCCCCCCCC[P+](CC(P(=O)(O)O)P(=O)(O)[O-])(C)C"	"QCMHKGWUOSRYCF-UHFFFAOYSA-N"	"InChI=1S/C16H37O6P3/c1-4-5-6-7-8-9-10-11-12-13-14-23(2,3)15-16(24(17,18)19)25(20,21)22/h16H,4-15H2,1-3H3,(H3-,17,18,19,20,21,22)"	""	""	""
"3121"	"BPH-830"	""	"Synthetic organic"	""	""	""	""	"135649720"	"44182294"	""	""	"CHEMBL1208085"	""	""	""	""	"[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid"	""	"BPH 830|BPH830"	"O=C(CP(=O)(O)O)NCCCc1cccc(c1)Oc1ccccc1"	"GNETVUVZFYJATO-UHFFFAOYSA-N"	"InChI=1S/C17H20NO5P/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H2,20,21,22)"	""	""	""
"5939"	"BPIQ-I"	""	"Synthetic organic"	""	""	""	""	"178102562"	"2427"	""	""	"CHEMBL174426"	""	""	""	""	"N-(3-bromophenyl)-3-methyl-3H-imidazo[4,5-g]quinazolin-8-amine"	""	""	"Brc1cccc(c1)Nc1ncnc2c1cc1ncn(c1c2)C"	"YAMAGACQNDAKFB-UHFFFAOYSA-N"	"InChI=1S/C16H12BrN5/c1-22-9-20-14-6-12-13(7-15(14)22)18-8-19-16(12)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,19,21)"	""	""	""
"9370"	"BPKDi"	""	"Synthetic organic"	""	""	""	""	"328083472"	"46901383"	""	""	"CHEMBL1214999"	""	""	""	""	"2-[2-(cyclohexylamino)pyridin-4-yl]-6-piperazin-1-ylpyridine-4-carboxamide"	""	"bipyridyl PKD inhibitor"	"NC(=O)c1cc(nc(c1)c1ccnc(c1)NC1CCCCC1)N1CCNCC1"	"XNWDRALEEPGBHB-UHFFFAOYSA-N"	"InChI=1S/C21H28N6O/c22-21(28)16-12-18(26-20(14-16)27-10-8-23-9-11-27)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h6-7,12-14,17,23H,1-5,8-11H2,(H2,22,28)(H,24,25)"	""	""	""
"11747"	"BPR1R024"	""	"Synthetic organic"	""	""	""	""	"458923782"	"155195529"	""	""	""	""	""	""	""	"1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)pyridin-3-yl]methyl]urea"	""	"BPR1R-024|compound 12 [PMID: 34606263]"	"CN(c1ccc2c(ncnc2c1)Oc1ccc(cc1)NC(=O)NCc1cnc(cc1)C(F)(F)F)C"	"ORYMWWSJZRCUSV-UHFFFAOYSA-N"	"InChI=1S/C24H21F3N6O2/c1-33(2)17-6-9-19-20(11-17)30-14-31-22(19)35-18-7-4-16(5-8-18)32-23(34)29-13-15-3-10-21(28-12-15)24(25,26)27/h3-12,14H,13H2,1-2H3,(H2,29,32,34)"	""	""	""
"7897"	"BPTI-K15R/R17G"	""	"Peptide"	""	""	""	""	"315661094"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"997"	"BQ123"	""	"Peptide"	""	""	""	""	"135652048"	"443289"	""	""	"CHEMBL314691"	""	""	""	""	"2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid"	""	"BQ 123|BQ-123"	"CC(C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@H](NC1=O)Cc1c[nH]c2c1cccc2)CC(=O)O)C(C)C)C"	"VYCMAAOURFJIHD-PJNXIOHISA-N"	"InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1"	""	""	""
"3859"	"BQ 3020"	""	"Peptide"	""	""	""	""	"178100698"	"16133801"	""	""	""	""	""	""	""	""	""	"BQ-3020|BQ3020"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)C(C)C)[C@H](CC)C)CC(=O)O)CC(C)C)Cc1nc[nH]c1)C)Cc1ccccc1)Cc1ccc(cc1)O)C(C)C)C)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)CCSC)CC(=O)O"	"KBQLINQFUQUHIY-SGOWJZKMSA-N"	"InChI=1S/C95H138N20O25S/c1-15-52(10)79(94(138)114-78(51(8)9)93(137)112-73(95(139)140)41-58-45-98-62-26-20-19-25-61(58)62)115-91(135)72(44-76(122)123)110-87(131)67(38-49(4)5)107-89(133)70(42-59-46-97-47-99-59)106-80(124)53(11)101-85(129)68(39-56-23-17-16-18-24-56)108-88(132)69(40-57-28-30-60(117)31-29-57)111-92(136)77(50(6)7)113-81(125)54(12)100-82(126)64(32-33-74(118)119)104-83(127)63(27-21-22-35-96)103-90(134)71(43-75(120)121)109-84(128)65(34-36-141-14)105-86(130)66(37-48(2)3)102-55(13)116/h16-20,23-26,28-31,45-54,63-73,77-79,98,117H,15,21-22,27,32-44,96H2,1-14H3,(H,97,99)(H,100,126)(H,101,129)(H,102,116)(H,103,134)(H,104,127)(H,105,130)(H,106,124)(H,107,133)(H,108,132)(H,109,128)(H,110,131)(H,111,136)(H,112,137)(H,113,125)(H,114,138)(H,115,135)(H,118,119)(H,120,121)(H,122,123)(H,139,140)/t52-,53-,54-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,77-,78-,79-/m0/s1"	""	""	""
"1010"	"BQ788"	""	"Synthetic organic"	""	""	""	""	"135650019"	"3081333"	""	""	""	""	""	""	""	"(2R)-2-[[(2R)-2-amino-3-(1-methoxycarbonylindol-3-yl)propanoyl]-[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]hexanoic acid"	""	"BQ 788|BQ-788"	"CCCC[C@@H](N(C(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[C@@H](Cc1cn(c2c1cccc2)C(=O)OC)N)C(=O)O"	"LNGMSNLRAISCCZ-IITZRFRKSA-N"	"InChI=1S/C34H51N5O7/c1-8-9-16-28(31(42)43)39(29(40)25(35)18-23-20-37(33(45)46-7)27-17-11-10-15-24(23)27)30(41)26(19-34(4,5)6)36-32(44)38-21(2)13-12-14-22(38)3/h10-11,15,17,20-22,25-26,28H,8-9,12-14,16,18-19,35H2,1-7H3,(H,36,44)(H,42,43)/t21-,22+,25-,26+,28-/m1/s1"	""	""	""
"5436"	"BQCA"	""	"Synthetic organic"	""	""	""	""	"178102088"	"17865255"	""	""	""	""	""	""	""	"4-benzyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid"	""	"benzyl quinolone carboxylic acid"	"OC(=O)c1c(=O)[nH]c2c(c1Cc1ccccc1)cccc2"	"LPQIYUCWQOQFCS-UHFFFAOYSA-N"	"InChI=1S/C17H13NO3/c19-16-15(17(20)21)13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)18-16/h1-9H,10H2,(H,18,19)(H,20,21)"	""	""	""
"4371"	"B-R13/17K H2 relaxin"	""	"Peptide"	""	""	""	""	"178101185"	"0"	""	""	""	""	""	""	""	""	""	"AT-001|B13/17K H2 relaxin"	""	""	""	""	""	""
"14151"	"B-R13HR H2 relaxin"	""	"Peptide"	""	""	""	""	"518520778"	"0"	""	""	""	""	""	""	""	""	""	"H2 B-R13HR"	""	""	""	""	""	""
"6397"	"Br-5MPEPy"	""	"Synthetic organic"	""	""	""	""	"178103013"	"16067787"	""	""	"CHEMBL475270"	""	""	""	""	"2-[2-(5-bromopyridin-3-yl)ethynyl]-5-methylpyridine"	""	""	"Cc1ccc(nc1)C#Cc1cncc(c1)Br"	"IHHBVGZPZBDKRA-UHFFFAOYSA-N"	"InChI=1S/C13H9BrN2/c1-10-2-4-13(16-7-10)5-3-11-6-12(14)9-15-8-11/h2,4,6-9H,1H3"	""	""	""
"3969"	"bradanicline"	""	"Synthetic organic"	""	""	""	""	"178100795"	"25147644"	""	""	"CHEMBL1258006"	""	""	""	""	"N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide"	"bradanicline"	"ATA-101|ATA101|compound 7a [PMID 23126648]|TC-5619|TC5619"	"O=C(c1cc2c(o1)cccc2)N[C@@H]1C2CCN([C@H]1Cc1cccnc1)CC2"	"OXKRFEWMSWPKKV-GHTZIAJQSA-N"	"InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1"	""	""	""
"649"	"bradykinin"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651637"	"439201"	"P08934|O08677|P01042"	"ENSG00000113889|ENSMUSG00000022875"	"CHEMBL406291"	""	""	""	""	"(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid"	""	"BK|kallidin I|kinin 9"	"OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)N"	"QXZGBUJJYSLZLT-FDISYFBBSA-N"	"InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1"	""	""	""
"680"	"bradyzide"	""	"Synthetic organic"	""	""	""	""	"135650020"	"5312119"	""	""	"CHEMBL308468"	""	""	""	""	"(2S)-N-[2-(2-dimethylaminoethyl-methylamino)ethyl]-1-[4-[2-[di(phenyl)methylcarbamothioyl]hydrazinyl]-3-nitrophenyl]sulfonylpyrrolidine-2-carboxamide"	""	""	"CN(CCN(C)C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NNC(=S)NC(c1ccccc1)c1ccccc1"	"ZIBIVIRBYMBEHZ-NDEPHWFRSA-N"	"InChI=1S/C32H42N8O5S2/c1-37(2)21-22-38(3)20-18-33-31(41)28-15-10-19-39(28)47(44,45)26-16-17-27(29(23-26)40(42)43)35-36-32(46)34-30(24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4-9,11-14,16-17,23,28,30,35H,10,15,18-22H2,1-3H3,(H,33,41)(H2,34,36,46)/t28-/m0/s1"	""	""	""
"4890"	"brain natriuretic peptide"	"Human"	"Peptide"	"yes"	""	""	""	"178101590"	"0"	"P16860"	"ENSG00000120937"	"CHEMBL1201668"	""	""	""	""	""	"nesiritide"	"BNP|BNP(1-32)|BNP-32|brain natriuretic peptide 32|Natrecor&reg;"	""	""	""	""	""	""
"9869"	"branebrutinib"	""	"Synthetic organic"	""	""	""	""	"363894163"	"121293929"	""	""	""	""	""	""	""	"4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide"	"branebrutinib"	"BMS-986195|BMS986195|Example 223 [US20160115126A1]"	"CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(c2c1c(C)c([nH]2)C)C(=O)N"	"VJPPLCNBDLZIFG-ZDUSSCGKSA-N"	"InChI=1S/C20H23FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/t13-/m0/s1"	"yes"	""	""
"9293"	"brazikumab"	""	"Antibody"	""	""	""	""	"318164812"	"0"	""	""	""	""	""	""	""	""	"brazikumab"	"AMG 139|AMG-139|MEDI2070"	""	""	""	"yes"	""	""
"14000"	"Br-BTHIQ"	""	"Synthetic organic"	""	""	""	""	"518520627"	"155568278"	""	""	"CHEMBL4591554"	""	""	""	""	"1-[(2-bromophenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol"	""	"compound 1 [PMID: 31933369]"	"CN1CCC2=C(C=C(O)C(O)=C2)C1CC3=CC=CC=C3Br"	"PUMDJZOMWDDEEH-UHFFFAOYSA-N"	"InChI=1S/C17H18BrNO2/c1-19-7-6-11-9-16(20)17(21)10-13(11)15(19)8-12-4-2-3-5-14(12)18/h2-5,9-10,15,20-21H,6-8H2,1H3"	""	""	""
"13360"	"BRD1158"	""	"Synthetic organic"	""	""	""	""	"496703330"	"156155577"	""	""	""	""	""	""	""	"N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyridin-2-amine"	""	"BRD 1158|BRD-1158|exmple 47 [WO2021050700]"	"CS(=O)(=O)C1=CC=C(C=C1)C2=NC(NCC3=COC=C3)=CC=C2"	"SEQJAWHEDNIYEW-UHFFFAOYSA-N"	"InChI=1S/C17H16N2O3S/c1-23(20,21)15-7-5-14(6-8-15)16-3-2-4-17(19-16)18-11-13-9-10-22-12-13/h2-10,12H,11H2,1H3,(H,18,19)"	""	""	""
"9648"	"BRD3444"	""	"Synthetic organic"	""	""	""	""	"340590278"	"54669399"	""	""	"CHEMBL3560390"	""	""	""	""	"(8R,9R,10S)-10-(hydroxymethyl)-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide"	""	""	"OC[C@H]1N2CCCCN(C[C@H]2[C@H]1c1ccc(cc1)C#Cc1ccccc1)C(=O)Nc1ccc(cc1)OC"	"OJOYTIQMDFICSJ-FRXPANAUSA-N"	"InChI=1S/C31H33N3O3/c1-37-27-17-15-26(16-18-27)32-31(36)33-19-5-6-20-34-28(21-33)30(29(34)22-35)25-13-11-24(12-14-25)10-9-23-7-3-2-4-8-23/h2-4,7-8,11-18,28-30,35H,5-6,19-22H2,1H3,(H,32,36)/t28-,29+,30+/m0/s1"	""	"yes"	""
"7016"	"BRD4770"	""	"Synthetic organic"	""	""	""	""	"178103595"	"72193870"	""	""	""	""	""	""	""	"methyl 2-benzamido-1-(3-phenylpropyl)benzimidazole-5-carboxylate"	""	"BRD 4770|BRD-4770"	"COC(=O)c1ccc2c(c1)nc(n2CCCc1ccccc1)NC(=O)c1ccccc1"	"UCGWYCMPZXDHNR-UHFFFAOYSA-N"	"InChI=1S/C25H23N3O3/c1-31-24(30)20-14-15-22-21(17-20)26-25(27-23(29)19-12-6-3-7-13-19)28(22)16-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-15,17H,8,11,16H2,1H3,(H,26,27,29)"	""	""	""
"11723"	"BRD7929"	""	"Synthetic organic"	""	""	""	""	"458923758"	"118065266"	""	""	"CHEMBL4284340"	""	""	""	""	"(8R,9S,10S)-10-[(dimethylamino)methyl]-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide"	""	""	"COc1ccc(cc1)NC(=O)N1CCCCN2[C@@H](C1)[C@H]([C@H]2CN(C)C)c1ccc(cc1)C#Cc1ccccc1"	"VKRCTZCBMKVHCK-RTOKGZNSSA-N"	"InChI=1S/C33H38N4O2/c1-35(2)23-30-32(27-15-13-26(14-16-27)12-11-25-9-5-4-6-10-25)31-24-36(21-7-8-22-37(30)31)33(38)34-28-17-19-29(39-3)20-18-28/h4-6,9-10,13-20,30-32H,7-8,21-24H2,1-3H3,(H,34,38)/t30-,31+,32+/m1/s1"	""	"yes"	""
"11469"	"BRD9185"	""	"Synthetic organic"	""	""	""	""	"440816837"	"121596187"	""	""	"CHEMBL4064731"	""	""	""	""	"(2S,3S,4S)-3-[4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-2-cyano-4-(hydroxymethyl)-N-propylazetidine-1-carboxamide"	""	"compound 27 [PMID: 28435533]"	"CCCNC(=O)N1[C@H](CO)[C@H]([C@H]1C#N)c1ccc(cc1)c1ccc(c(c1)C(F)(F)F)C(F)(F)F"	"FYPZBZFXJUJJRA-AQNXPRMDSA-N"	"InChI=1S/C23H21F6N3O2/c1-2-9-31-21(34)32-18(11-30)20(19(32)12-33)14-5-3-13(4-6-14)15-7-8-16(22(24,25)26)17(10-15)23(27,28)29/h3-8,10,18-20,33H,2,9,12H2,1H3,(H,31,34)/t18-,19-,20+/m1/s1"	""	"yes"	""
"7375"	"BRD9539"	""	"Synthetic organic"	""	""	""	""	"178103947"	"73755260"	""	""	""	""	""	""	""	"2-benzamido-1-(3-phenylpropyl)-1H-1,3-benzodiazole-5-carboxylic acid"	""	"BRD 9539|BRD-9539"	"O=C(c1ccccc1)Nc1nc2c(n1CCCc1ccccc1)ccc(c2)C(=O)O"	"WPXMEOBILYVKBC-UHFFFAOYSA-N"	"InChI=1S/C24H21N3O3/c28-22(18-11-5-2-6-12-18)26-24-25-20-16-19(23(29)30)13-14-21(20)27(24)15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16H,7,10,15H2,(H,29,30)(H,25,26,28)"	""	""	""
"1603"	"(-)-bremazocine"	""	"Synthetic organic"	""	""	""	""	"135650021"	"443406"	""	""	""	""	""	""	""	""	"bremazocine"	""	"CC[C@]12CCN([C@@H](C2(C)C)Cc2c1cc(O)cc2)CC1(O)CC1"	"ZDXGFIXMPOUDFF-XLIONFOSSA-N"	"InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3/t17-,20+/m1/s1"	""	""	""
"10408"	"bremelanotide"	""	"Peptide"	"yes"	""	""	""	"387271628"	"9941379"	""	""	"CHEMBL2070241"	""	""	""	""	"(3S,6S,9R,12S,15S,23S)-15-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxylic acid"	"bremelanotide"	"PT-141|PT141|Vyleesi&reg;"	"CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C"	"FFHBJDQSGDNCIV-MFVUMRCOSA-N"	"InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1"	""	""	""
"9412"	"brensocatib"	""	"Synthetic organic"	"yes"	""	""	""	"328083514"	"118253852"	""	""	""	""	""	""	""	"(2S)-N-[(1S)-1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-1,4-oxazepane-2-carboxamide"	"brensocatib"	"AZD7986|Brinsupri&reg;|compound 30|INS 1007|INS1007"	"N#C[C@H](Cc1ccc(cc1)c1ccc2c(c1)n(C)c(=O)o2)NC(=O)[C@@H]1CNCCCO1"	"AEXFXNFMSAAELR-RXVVDRJESA-N"	"InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1"	"yes"	""	""
"6772"	"brentuximab vedotin"	""	"Antibody"	"yes"	""	""	""	"178103378"	"0"	""	""	""	""	""	""	""	""	"brentuximab vedotin"	"Adcetris&reg;|anti-CD30 ADC SGN-35|SGN 35"	""	""	""	"yes"	""	""
"10459"	"brepocitinib"	""	"Synthetic organic"	"yes"	""	""	""	"385612219"	"118878093"	""	""	""	""	""	""	""	"[(1S)-2,2-difluorocyclopropyl]-[(1S,5R)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone"	"brepocitinib"	"compound 23 [PMID: 30113844]|PF-06700841|PF06700841"	"O=C([C@@H]1CC1(F)F)N1[C@@H]2CC[C@H]1CN(C2)c1ccnc(n1)Nc1cnn(c1)C"	"BUWBRTXGQRBBHG-MJBXVCDLSA-N"	"InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1"	"yes"	""	""
"7406"	"brequinar"	""	"Synthetic organic"	""	""	""	""	"178103978"	"57030"	""	""	"CHEMBL38434"	""	""	""	""	"6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid"	"brequinar"	"DUP-785|DUP785|NSC 368390|NSC-368390|NSC368390"	"Fc1ccc2c(c1)c(C(=O)O)c(c(n2)c1ccc(cc1)c1ccccc1F)C"	"PHEZJEYUWHETKO-UHFFFAOYSA-N"	"InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)"	""	""	""
"4146"	"bretazenil"	""	"Synthetic organic"	""	""	""	""	"178100967"	"107926"	""	""	"CHEMBL366947"	""	""	""	""	""	"bretazenil"	"Ro 16-6028"	"O=C(c1ncn2c1[C@@H]1CCCN1C(=O)c1c2cccc1Br)OC(C)(C)C"	"LWUDDYHYYNNIQI-ZDUSSCGKSA-N"	"InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1"	""	""	""
"7130"	"bretylium"	""	"Synthetic organic"	"yes"	""	""	""	"178103706"	"2431"	""	""	"CHEMBL1199080"	""	""	""	""	"[(2-bromophenyl)methyl](ethyl)dimethylazanium"	"bretylium tosilate"	"ASL-603|bretylium tosylate|Bretylol&reg;"	"CC[N+](Cc1ccccc1Br)(C)C"	"AAQOQKQBGPPFNS-UHFFFAOYSA-N"	"InChI=1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1"	""	""	""
"7672"	"brexpiprazole"	""	"Synthetic organic"	"yes"	""	""	""	"223366007"	"11978813"	""	""	"CHEMBL2105760"	""	""	""	""	"7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one"	"brexpiprazole"	"OPC 34712|OPC-34712|Rxulti&reg;"	"O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2"	"ZKIAIYBUSXZPLP-UHFFFAOYSA-N"	"InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)"	""	""	""
"9213"	"briakinumab"	""	"Antibody"	""	""	""	""	"315661289"	"0"	""	""	""	""	""	""	""	""	"briakinumab"	"ABT-874|J-695|J695|Ozespa"	""	""	""	"yes"	""	""
"7741"	"brigatinib"	""	"Synthetic organic"	"yes"	""	""	""	"223366074"	"68165256"	""	""	"CHEMBL3545311"	""	""	""	""	"5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine"	"brigatinib"	"Alunbrig&reg;|AP-26113|AP26113|compound 11q [PMID: 27144831]"	"COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1P(=O)(C)C)Cl)N1CCC(CC1)N1CCN(CC1)C"	"AILRADAXUVEEIR-UHFFFAOYSA-N"	"InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)"	""	""	""
"12627"	"brigimadlin"	""	"Synthetic organic"	""	""	""	""	"479821417"	"129264140"	""	""	""	""	""	""	""	""	"brigimadlin"	"BI 907828|BI-907828|BI907828|example Ia-34 [WO2017060431A1]"	"[H][C@]12CC3=C4C=CC(C(O)=O)=C(C)C4=NN3[C@@]1([H])[C@]([H])(C5=CC=CC(Cl)=C5F)[C@@]6(N2CC7CC7)C(=O)NC8=CC(Cl)=CC=C68"	"AMTXDBGKYPDTTA-SJVQGLCSSA-N"	"InChI=1S/C31H25Cl2FN4O3/c1-14-17(29(39)40)8-9-18-23-12-24-28(38(23)36-27(14)18)25(19-3-2-4-21(33)26(19)34)31(37(24)13-15-5-6-15)20-10-7-16(32)11-22(20)35-30(31)41/h2-4,7-11,15,24-25,28H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t24-,25-,28+,31+/m0/s1"	""	""	""
"13807"	"brilacidin"	""	"Synthetic organic"	""	""	""	""	"507750440"	"25023695"	""	""	"CHEMBL2219413"	""	""	""	""	"4-N,6-N-bis[3-[5-(diaminomethylideneamino)pentanoylamino]-2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide"	"brilacidin"	"MMV1634402|PMX30063"	"C1CNC[C@@H]1OC2=C(C=C(C=C2NC(=O)C3=CC(=NC=N3)C(=O)NC4=CC(=CC(=C4O[C@@H]5CCNC5)NC(=O)CCCCN=C(N)N)C(F)(F)F)C(F)(F)F)NC(=O)CCCCN=C(N)N"	"QPDYBCZNGUJZDK-DNQXCXABSA-N"	"InChI=1S/C40H50F6N14O6/c41-39(42,43)21-13-25(57-31(61)5-1-3-9-53-37(47)48)33(65-23-7-11-51-18-23)27(15-21)59-35(63)29-17-30(56-20-55-29)36(64)60-28-16-22(40(44,45)46)14-26(34(28)66-24-8-12-52-19-24)58-32(62)6-2-4-10-54-38(49)50/h13-17,20,23-24,51-52H,1-12,18-19H2,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H4,47,48,53)(H4,49,50,54)/t23-,24-/m1/s1"	""	"yes"	"yes"
"4147"	"brilliant blue G"	""	"Synthetic organic"	""	""	""	""	"178100968"	"73755082"	""	""	""	""	""	""	""	"sodium 3-({[(1E,4E)-4-({4-[(4-ethoxyphenyl)amino]phenyl}(4-{ethyl[(4-sulfonatophenyl)methyl]amino}-2-methylphenyl)methylidene)-3-methylcyclohexa-2,5-dien-1-ylidene](ethyl)azaniumyl}methyl)benzene-1-sulfonate"	""	""	"CCOc1ccc(cc1)Nc1ccc(cc1)/C(=C\1/C=C/C(=[N+](\Cc2cccc(c2)S(=O)(=O)[O-])/CC)/C=C1C)/c1ccc(cc1C)N(Cc1ccc(cc1)S(=O)(=O)[O-])CC.[Na+]"	"NIVDAYXBPZLBDP-UHFFFAOYSA-M"	"InChI=1S/C47H49N3O7S2.Na/c1-6-49(31-35-12-24-43(25-13-35)58(51,52)53)40-20-26-45(33(4)28-40)47(37-14-16-38(17-15-37)48-39-18-22-42(23-19-39)57-8-3)46-27-21-41(29-34(46)5)50(7-2)32-36-10-9-11-44(30-36)59(54,55)56;/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56);/q;+1/p-1"	""	""	""
"9101"	"brimapitide"	""	"Peptide"	""	""	""	""	"315661186"	"0"	""	""	""	""	""	""	""	""	"brimapitide"	"AM-111|D-JNKI-1|XG-102"	""	""	""	"yes"	""	""
"13203"	"brimarafenib"	""	"Synthetic organic"	""	""	""	""	"491299985"	"117807031"	""	""	""	""	""	""	""	"1-[(1S,1aS,6bS)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)urea"	"brimarafenib"	"BGB-3245|BGB3245|compound 1.49 [WO2014206343]"	"O=C1CCC=2C(=CC=NC2N1)OC=3C=CC4=C([C@@H]5[C@H](O4)[C@H]5NC(=O)NC6=C(C=C(C(=C6)F)F)F)C3"	"USMWOBMHNWNPAP-FKBYEOEOSA-N"	"InChI=1S/C24H17F3N4O4/c25-13-8-15(27)16(9-14(13)26)29-24(33)31-21-20-12-7-10(1-3-17(12)35-22(20)21)34-18-5-6-28-23-11(18)2-4-19(32)30-23/h1,3,5-9,20-22H,2,4H2,(H,28,30,32)(H2,29,31,33)/t20-,21-,22-/m0/s1"	""	""	""
"520"	"brimonidine (UK14304)"	""	"Synthetic organic"	"yes"	""	""	""	"135650022"	"2435"	""	""	"CHEMBL844"	""	""	""	""	"5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine"	"brimonidine"	"Alphagan&reg;|Lumify&reg;|Mirvaso&reg;|UK14,304|UK14304"	"Brc1c(ccc2c1nccn2)NC1=NCCN1"	"XYLJNLCSTIOKRM-UHFFFAOYSA-N"	"InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)"	"yes"	""	""
"11556"	"brincidofovir"	""	"Synthetic organic"	"yes"	""	""	""	"441604928"	"483477"	""	""	"CHEMBL203321"	""	""	""	""	"[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid"	"brincidofovir"	"CMX-001|CMX001|HDP-CDV|hexadecyloxypropyl cidofovir|Tembexa&reg;"	"CCCCCCCCCCCCCCCCOCCCOP(=O)(CO[C@@H](Cn1ccc(nc1=O)N)CO)O"	"WXJFKKQWPMNTIM-VWLOTQADSA-N"	"InChI=1S/C27H52N3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-35-20-16-21-37-38(33,34)24-36-25(23-31)22-30-18-17-26(28)29-27(30)32/h17-18,25,31H,2-16,19-24H2,1H3,(H,33,34)(H2,28,29,32)/t25-/m0/s1"	""	""	""
"13788"	"BRINP2-related peptide"	"Human"	"Peptide"	""	""	""	""	"507750421"	"0"	""	""	""	""	""	""	""	""	""	"BRP"	""	""	""	""	""	""
"6797"	"brinzolamide"	""	"Synthetic organic"	"yes"	""	""	""	"178103403"	"68844"	""	""	"CHEMBL220491"	""	""	""	""	"(4R)-4-ethylamino-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[4,5-e]thiazine-6-sulfonamide"	"brinzolamide"	"AL-4862|Azopt&reg;"	"COCCCN1C[C@H](NCC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N"	"HCRKCZRJWPKOAR-JTQLQIEISA-N"	"InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1"	""	""	""
"13450"	"briquilimab"	""	"Antibody"	""	""	""	""	"500839860"	"0"	""	""	""	""	""	""	""	""	"briquilimab"	"AMG-191|AMG191|JSP-191|JSP191"	""	""	""	"yes"	""	""
"5671"	"brivanib"	""	"Synthetic organic"	""	""	""	""	"178102299"	"11234052"	""	""	"CHEMBL377300"	""	""	""	""	"(2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-ol"	"brivanib alaninate"	"BMS 540215|BMS-540215"	"C[C@H](COc1cn2c(c1C)c(ncn2)Oc1ccc2c(c1F)cc([nH]2)C)O"	"WCWUXEGQKLTGDX-LLVKDONJSA-N"	"InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1"	""	""	""
"8097"	"brivanib alinate"	""	"Synthetic organic"	""	""	""	""	"249565777"	"11154925"	""	""	"CHEMBL270995"	""	""	""	""	"[(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[5,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] (2S)-2-aminopropanoate"	"brivanib alaninate"	"BMS-582664|BMS582664"	"C[C@@H](OC(=O)[C@@H](N)C)COc1cn2c(c1C)c(ncn2)Oc1ccc2c(c1F)cc([nH]2)C"	"LTEJRLHKIYCEOX-OCCSQVGLSA-N"	"InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14+/m1/s1"	""	""	""
"9041"	"brivaracetam"	""	"Synthetic organic"	"yes"	""	""	""	"315661126"	"9837243"	""	""	"CHEMBL607400"	""	""	""	""	"(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanamide"	"brivaracetam"	"2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide|Briviact&reg;|compound 83&alpha;|UCB 34714|UCB-34714|UCB34714"	"CCC[C@H]1CN(C(=O)C1)[C@H](C(=O)N)CC"	"MSYKRHVOOPPJKU-BDAKNGLRSA-N"	"InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1"	""	""	""
"10"	"BRL-15572"	""	"Synthetic organic"	""	""	""	""	"135650023"	"3654103"	""	""	"CHEMBL534232"	""	""	""	""	"3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-di(phenyl)propan-2-ol"	""	"BRL 15572|BRL-15,572|BRL15572"	"Clc1cccc(c1)N1CCN(CC1)CC(C(c1ccccc1)c1ccccc1)O"	"QJHCTHPYUOXOGM-UHFFFAOYSA-N"	"InChI=1S/C25H27ClN2O/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24-25,29H,14-17,19H2"	"yes"	""	""
"13194"	"BRL35135"	""	"Synthetic organic"	""	""	""	""	"491299976"	"122186"	""	""	"CHEMBL49289"	""	""	""	""	"methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate"	""	"BRL 35135|BRL-35135"	"CC(CC1=CC=C(C=C1)OCC(=O)OC)NCC(C2=CC(=CC=C2)Cl)O"	"ZFLBZHXQAMUEFS-UHFFFAOYSA-N"	"InChI=1S/C20H24ClNO4/c1-14(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-13-20(24)25-2/h3-9,11,14,19,22-23H,10,12-13H2,1-2H3"	""	""	""
"567"	"BRL37344"	""	"Synthetic organic"	""	""	""	""	"135650024"	"9841972"	""	""	"CHEMBL284782"	""	""	""	""	"2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid"	""	"BRL 37344|BRL-37344"	"C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O"	"ZGGNJJJYUVRADP-ACJLOTCBSA-N"	"InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1"	""	""	""
"10993"	"BRL-42715"	""	"Synthetic organic"	""	""	""	""	"405560434"	"6436245"	""	""	""	""	""	""	""	"(5R,6E)-6-[(1-methyltriazol-4-yl)methylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	""	"C6-(N1-Methyl-1,2,3-trazolylmethylene)penem|LS-186900 (sodium salt)|LS-187554"	"O=C1/C(=C\c2c[nH]nn2)/[C@@H]2N1C(=CS2)C(=O)O"	"WFUNKYVUHIZWEW-VRFQNRHZSA-N"	"InChI=1S/C9H6N4O3S/c14-7-5(1-4-2-10-12-11-4)8-13(7)6(3-17-8)9(15)16/h1-3,8H,(H,15,16)(H,10,11,12)/b5-1+/t8-/m1/s1"	""	""	"yes"
"11036"	"BRL-44154"	""	"Synthetic organic"	""	""	""	""	"405560477"	"126843198"	""	""	""	""	""	""	""	"(3S,7R,7aR)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoacetyl]amino]-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid"	""	"analogue 4f [Brown <i>et al</i>., 1991]|BRL44154"	"OC(=O)[C@@H]1N2C(=O)C[C@H]([C@H]2SC1(C)C)NC(=O)/C(=N/OC1CCCC1)/c1csc(n1)N"	"KNTUUEGDGYZCIA-ZUPSXRMKSA-N"	"InChI=1S/C19H25N5O5S2/c1-19(2)14(17(27)28)24-12(25)7-10(16(24)31-19)21-15(26)13(11-8-30-18(20)22-11)23-29-9-5-3-4-6-9/h8-10,14,16H,3-7H2,1-2H3,(H2,20,22)(H,21,26)(H,27,28)/b23-13+/t10-,14+,16-/m1/s1"	""	""	"yes"
"525"	"BRL44408"	""	"Synthetic organic"	""	""	""	""	"135650025"	"121850"	""	""	"CHEMBL216097"	""	""	""	""	"2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-1,3-dihydroisoindole"	""	"BRL 44408|BRL-44408"	"CC1N(CC2=NCCN2)Cc2c1cccc2"	"SGOFAUSEYBZKDQ-UHFFFAOYSA-N"	"InChI=1S/C13H17N3/c1-10-12-5-3-2-4-11(12)8-16(10)9-13-14-6-7-15-13/h2-5,10H,6-9H2,1H3,(H,14,15)"	""	""	""
"5154"	"BRL50481"	""	"Synthetic organic"	""	""	""	""	"178101846"	"2921148"	""	""	"CHEMBL484928"	""	""	""	""	"N,N,2-trimethyl-5-nitrobenzene-1-sulfonamide"	""	"BRL 50481|BRL-50481"	"Cc1ccc(cc1S(=O)(=O)N(C)C)[N+](=O)[O-]"	"IFIUFCJFLGCQPH-UHFFFAOYSA-N"	"InChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3"	""	""	""
"3927"	"BRL-54443"	""	"Synthetic organic"	""	""	""	""	"178100756"	"2438"	""	""	"CHEMBL1371156"	""	""	""	""	"3-(1-methylpiperidin-4-yl)-1H-indol-5-ol"	""	"BRL 54443|BRL54443"	"CN1CCC(CC1)c1c[nH]c2c1cc(O)cc2"	"WKNFADCGOAHBPG-UHFFFAOYSA-N"	"InChI=1S/C14H18N2O/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14/h2-3,8-10,15,17H,4-7H2,1H3"	""	""	""
"7540"	"brodalumab"	""	"Antibody"	"yes"	""	""	""	"187051841"	"0"	""	""	""	""	""	""	""	""	"brodalumab"	"AMG-827|AMG827|Kyntheum&reg;|Lumicef&reg;|Siliq&reg;"	""	""	""	"yes"	""	""
"12325"	"brodimoprim"	""	"Synthetic organic"	""	""	""	""	"479821116"	"68760"	""	""	"CHEMBL31891"	""	""	""	""	"5-[(4-bromo-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine"	"brodimoprim"	"Ro 10-5970"	"COc1cc(cc(c1Br)OC)Cc1cnc(nc1N)N"	"BFCRRLMMHNLSCP-UHFFFAOYSA-N"	"InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)"	""	""	"yes"
"163"	"brolamfetamine"	""	"Synthetic organic"	""	""	""	""	"135650198"	"62065"	""	""	"CHEMBL6607"	""	""	""	""	"1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine"	"brolamfetamine"	"2,5-dimethoxy-4-bromoamphetamine|DOB"	"COc1cc(Br)c(cc1CC(N)C)OC"	"FXMWUTGUCAKGQL-UHFFFAOYSA-N"	"InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3"	""	""	""
"8713"	"brolucizumab"	""	"Antibody"	"yes"	""	""	""	"252827371"	"0"	""	""	""	""	""	""	""	""	"brolucizumab"	"Beovu&reg;|brolucizumab-dbll|ESBA-1008|ESBA1008|RTH258"	""	""	""	""	""	""
"7131"	"bromfenac"	""	"Synthetic organic"	"yes"	""	""	""	"178103707"	"60726"	""	""	"CHEMBL1077"	""	""	""	""	"2-[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid"	"bromfenac"	"AHR-10282B|Bromday&reg;|Prolensa&reg;|Xibrom&reg;"	"OC(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br"	"ZBPLOVFIXSTCRZ-UHFFFAOYSA-N"	"InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)"	"yes"	""	""
"11218"	"bromhexine"	""	"Synthetic organic"	"yes"	""	""	""	"434122278"	"2442"	""	""	"CHEMBL253376"	""	""	""	""	"2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline"	"bromhexine"	"Bisolvon&reg;|NA-274|NA274"	"Brc1cc(CN(C2CCCCC2)C)c(c(c1)Br)N"	"OJGDCBLYJGHCIH-UHFFFAOYSA-N"	"InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3"	""	""	""
"6293"	"bromoacetone"	""	"Synthetic organic"	""	""	""	""	"178102913"	"11715"	""	""	"CHEMBL1085947"	""	""	""	""	"1-bromopropan-2-one"	""	"acetonyl bromide|martonite|monobromoacetone"	"CC(=O)CBr"	"VQFAIAKCILWQPZ-UHFFFAOYSA-N"	"InChI=1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3"	""	""	""
"4530"	"bromocresol green"	""	"Synthetic organic"	""	""	""	""	"178101251"	"6451"	""	""	"CHEMBL145704"	""	""	""	""	"3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-3H-2,1$l^{6}-benzoxathiole-1,1-dione"	""	""	"Brc1cc(c(c(c1O)Br)C)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1C)Br)O"	"FRPHFZCDPYBUAU-UHFFFAOYSA-N"	"InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3"	""	""	""
"35"	"bromocriptine"	""	"Synthetic organic"	"yes"	""	""	""	"135650026"	"31101"	""	""	"CHEMBL493"	""	""	""	""	""	"bromocriptine"	"2-bromoergocryptine|bromocryptine|CB-154|Parlodel&reg;"	"CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C"	"OZVBMTJYIDMWIL-AYFBDAFISA-N"	"InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1"	""	""	""
"7018"	"bromo-deaza-SAH"	""	"Synthetic organic"	""	""	""	""	"178103597"	"53339032"	""	""	"CHEMBL2349526"	""	""	""	""	"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid"	""	""	"OC(=O)[C@H](CCSC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(c2c1ncnc2N)Br)N"	"DIULHULFPSIBAK-TWBCTODHSA-N"	"InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1"	""	""	""
"7132"	"bromodiphenhydramine"	""	"Synthetic organic"	"yes"	""	""	""	"178103708"	"2444"	""	""	"CHEMBL1201245"	""	""	""	""	"{2-[(4-bromophenyl)(phenyl)methoxy]ethyl}dimethylamine"	"bromazine"	"Ambodryl&reg;"	"CN(CCOC(c1ccc(cc1)Br)c1ccccc1)C"	"NUNIWXHYABYXKF-UHFFFAOYSA-N"	"InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3"	""	""	""
"5149"	"bromoenol lactone"	""	"Synthetic organic"	""	""	""	""	"178101841"	"5940264"	""	""	"CHEMBL6206"	""	""	""	""	"(6E)-6-(bromomethylidene)-3-(naphthalen-1-yl)oxan-2-one"	""	"BEL|bromoenolactone"	"Br/C=C/1\CCC(C(=O)O1)c1cccc2c1cccc2"	"BYUCSFWXCMTYOI-ZRDIBKRKSA-N"	"InChI=1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+"	""	""	""
"8234"	"bromosporine"	""	"Synthetic organic"	""	""	""	""	"249565914"	"72943187"	""	""	"CHEMBL3133807"	""	""	""	""	"ethyl N-[6-(3-methanesulfonamido-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]carbamate"	""	""	"CCOC(=O)Nc1cc(nn2c1nnc2C)c1ccc(c(c1)NS(=O)(=O)C)C"	"UYBRROMMFMPJAN-UHFFFAOYSA-N"	"InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)"	""	""	""
"7133"	"brompheniramine"	""	"Synthetic organic"	"yes"	""	""	""	"178103709"	"6834"	""	""	"CHEMBL811"	""	""	""	""	"[3-(4-bromophenyl)-3-(pyridin-2-yl)propyl]dimethylamine"	"brompheniramine"	"Bromfed&reg;|brompheniramine maleate|Dimetapp&reg;"	"CN(CCC(c1ccccn1)c1ccc(cc1)Br)C"	"ZDIGNSYAACHWNL-UHFFFAOYSA-N"	"InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3"	""	""	""
"4506"	"bromsulphthalein"	""	"Synthetic organic"	""	""	""	""	"178101233"	"6282"	""	""	""	""	""	""	""	"disodium 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]benzene-1-sulfonate"	""	"bromosulfophthalein|BSP|sulfobromophthalein"	"Brc1c(Br)c(Br)c2c(c1Br)C(=O)OC2(c1ccc(c(c1)S(=O)(=O)[O-])O)c1ccc(c(c1)S(=O)(=O)[O-])O.[Na+].[Na+]"	"GHAFORRTMVIXHS-UHFFFAOYSA-L"	"InChI=1S/C20H10Br4O10S2.2Na/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2"	""	""	""
"14530"	"bronopol"	""	"Synthetic organic"	""	""	""	""	"528429851"	"2450"	""	""	"CHEMBL1408862"	""	""	""	""	"2-Bromo-2-nitropropane-1,3-diol"	"bronopol"	""	"C(C(CO)([N+](=O)[O-])Br)O"	"LVDKZNITIUWNER-UHFFFAOYSA-N"	"InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2"	""	""	"yes"
"11361"	"brontictuzumab"	""	"Antibody"	""	""	""	""	"440816730"	"0"	""	""	""	""	""	""	""	""	"brontictuzumab"	"OMP-52M51|OMP52M51"	""	""	""	""	""	""
"13601"	"brophenexin"	""	"Synthetic organic"	""	""	""	""	"504705420"	"66568274"	""	""	""	""	""	""	""	"N'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine"	""	"compound 8 [PMID: 33033186]|NMDAR/TRPM4 inhibitor 8"	"BrC=1C=C(C=CC1)CN(CCN)CC"	"XSMDMHAMGOGFLG-UHFFFAOYSA-N"	"InChI=1S/C11H17BrN2/c1-2-14(7-6-13)9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9,13H2,1H3"	""	""	""
"12956"	"brorphine"	""	"Synthetic organic"	""	""	""	""	"485206077"	"145975294"	""	""	"CHEMBL4203403"	""	""	""	""	"3-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one"	""	"compound 21 [PMID: 30199635]"	"CC(C1=CC=C(C=C1)Br)N2CCC(CC2)N3C4=CC=CC=C4NC3=O"	"CNOFBGYRMCBVLO-UHFFFAOYSA-N"	"InChI=1S/C20H22BrN3O/c1-14(15-6-8-16(21)9-7-15)23-12-10-17(11-13-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-9,14,17H,10-13H2,1H3,(H,22,25)"	""	""	""
"6985"	"BrP-LPA"	""	"Synthetic organic"	""	""	""	""	"178103564"	"16725999"	""	""	""	""	""	""	""	"[(3S)-1-bromo-4-hexadecanoyloxy-3-hydroxybutyl]phosphonic acid"	""	"&alpha;-bromomethylene phosphonate"	"CCCCCCCCCCCCCCCC(=O)OC[C@H](CC(P(=O)(O)O)Br)O"	"HLVKVWDSLLFMSX-OYKVQYDMSA-N"	"InChI=1S/C20H40BrO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23)27-17-18(22)16-19(21)28(24,25)26/h18-19,22H,2-17H2,1H3,(H2,24,25,26)/t18-,19?/m0/s1"	""	""	""
"342"	"brucine"	""	"Natural product"	""	""	""	""	"135652672"	"442021"	""	""	"CHEMBL501756"	""	""	""	""	"(1R,11S,18S,20R,21R,22S)-4,5-dimethoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2(7),3,5,14-tetraen-9-one"	""	"10,11-dimethoxy strychnine"	"COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2"	"RRKTZKIUPZVBMF-IBTVXLQLSA-N"	"InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1"	""	""	""
"343"	"brucine <i>N</i>-oxide"	""	"Synthetic organic"	""	""	""	""	"135650027"	"21123938"	""	""	""	""	""	""	""	"(1S,11S,17R,18S,20R,21R,22S)-4,5-dimethoxy-9-oxo-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2(7),3,5,14-tetraen-17-ium-17-olate"	""	""	"COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)[O-]"	"HHHQMKWPZAYIAE-WAIXHZNCSA-N"	"InChI=1S/C23H26N2O5/c1-28-16-8-14-15(9-17(16)29-2)24-20(26)10-18-21-13-7-19-23(14,22(21)24)4-5-25(19,27)11-12(13)3-6-30-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+,25+/m0/s1"	""	""	""
"13773"	"bryostatin 1"	""	"Natural product"	""	""	""	""	"507750406"	"5280757"	""	""	"CHEMBL449158"	""	""	""	""	""	""	"NSC-339555"	"CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O"	"MJQUEDHRCUIRLF-TVIXENOKSA-N"	"InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1"	""	""	""
"9405"	"BS-181"	""	"Synthetic organic"	""	""	""	""	"328083507"	"49867929"	""	""	"CHEMBL1801932"	""	""	""	""	"5-N-(6-aminohexyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine"	""	""	"NCCCCCCNc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C"	"DNYBIOICMDTDAP-UHFFFAOYSA-N"	"InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)"	""	""	""
"8176"	"BS-194"	""	"Synthetic organic"	""	""	""	""	"249565856"	"25125014"	""	""	"CHEMBL1234833"	""	""	""	""	"(2S,3S)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol"	""	"BS 194|BS194|compound 4k [PMID 21080703]"	"OC[C@@H]([C@@H](CO)O)Nc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C"	"KRIWIRSMQRQYJG-DLBZAZTESA-N"	"InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1"	""	""	""
"9833"	"BsAb (CD89-CD20)"	""	"Antibody"	""	""	""	""	"363894127"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"10532"	"BSJ-03-123"	""	"Synthetic organic"	""	""	""	""	"387065614"	"137628658"	""	""	""	""	""	""	""	"N-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide"	""	""	"O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCOCCOCCOCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(=O)c(c2C)C(=O)C"	"LUHCYAOYQIFNRN-UHFFFAOYSA-N"	"InChI=1S/C47H56N10O11/c1-29-34-27-50-47(53-42(34)56(31-6-3-4-7-31)45(63)40(29)30(2)58)51-37-12-10-32(26-49-37)55-17-15-54(16-18-55)19-21-66-23-25-67-24-22-65-20-14-48-39(60)28-68-36-9-5-8-33-41(36)46(64)57(44(33)62)35-11-13-38(59)52-43(35)61/h5,8-10,12,26-27,31,35H,3-4,6-7,11,13-25,28H2,1-2H3,(H,48,60)(H,52,59,61)(H,49,50,51,53)"	""	""	""
"10530"	"BSJ-03-204"	""	"Synthetic organic"	""	""	""	""	"387065612"	"139593561"	""	""	""	""	""	""	""	""	""	""	"O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(=O)c(c2C)C(=O)C"	"KDMOCOWXLQOXEB-UHFFFAOYSA-N"	"InChI=1S/C43H48N10O8/c1-25-30-23-46-43(49-38(30)52(27-8-3-4-9-27)41(59)36(25)26(2)54)47-33-14-12-28(22-45-33)51-20-18-50(19-21-51)17-6-5-16-44-35(56)24-61-32-11-7-10-29-37(32)42(60)53(40(29)58)31-13-15-34(55)48-39(31)57/h7,10-12,14,22-23,27,31H,3-6,8-9,13,15-21,24H2,1-2H3,(H,44,56)(H,48,55,57)(H,45,46,47,49)"	""	""	""
"10531"	"BSJ-04-132"	""	"Synthetic organic"	""	""	""	""	"387065613"	"139593562"	""	""	""	""	""	""	""	"7-Cyclopentyl-2-[[5-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl]oxy]acetamido]butyl]piperazin-1-yl]pyridin-2-yl]amino]-N,N-dimethyl-7H-pyrrolo[2,3d]pyrimidine-6-carboxamide"	""	""	"O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(c2)C(=O)N(C)C"	"GWLSXEHHNOBFOI-UHFFFAOYSA-N"	"InChI=1S/C42H49N11O7/c1-49(2)40(58)31-22-26-23-45-42(48-37(26)52(31)27-8-3-4-9-27)46-33-14-12-28(24-44-33)51-20-18-50(19-21-51)17-6-5-16-43-35(55)25-60-32-11-7-10-29-36(32)41(59)53(39(29)57)30-13-15-34(54)47-38(30)56/h7,10-12,14,22-24,27,30H,3-6,8-9,13,15-21,25H2,1-2H3,(H,43,55)(H,47,54,56)(H,44,45,46,48)"	""	""	""
"13822"	"BT-33"	""	"Synthetic organic"	""	""	""	""	"507750455"	"169247147"	""	""	""	""	""	""	""	"(4S,5aS,8S,8aR)-N-[(1R,4R,6Z,8R,9R,10R,11R,12S,13R)-4-fluoro-11,12,13-trihydroxy-8-methyl-14-oxa-2-thiabicyclo[8.3.1]tetradec-6-en-9-yl]-4-(2-methylpropyl)-octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide"	""	""	"C[C@@H]1/C=C\C[C@H](CS[C@@H]2[C@@H]([C@H]([C@H]([C@@H]([C@@H]1NC(=O)[C@@H]3[C@H]4[C@@H](C[C@@H](CCO4)CC(C)C)CN3)O2)O)O)O)F"	"GLEYKIFUQKWPHN-JPYIKDSJSA-N"	"InChI=1S/C26H43FN2O6S/c1-13(2)9-15-7-8-34-23-16(10-15)11-28-19(23)25(33)29-18-14(3)5-4-6-17(27)12-36-26-22(32)20(30)21(31)24(18)35-26/h4-5,13-24,26,28,30-32H,6-12H2,1-3H3,(H,29,33)/b5-4-/t14-,15+,16+,17-,18-,19+,20+,21-,22-,23-,24-,26-/m1/s1"	""	""	"yes"
"12060"	"BT7480"	""	"Peptide"	""	""	""	""	"472319182"	"0"	""	""	""	""	""	""	""	""	""	"BCY11863|BT-7480"	"O=C(N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C1=O)CCC2)Cc1c2c(cccc2)ccc1)CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](O)C)C(=O)N1[C@@H](CCC1)C(=O)N1[C@@H](CC(C1)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(=O)N)CCOCCOCCOCCN(CCOCCOCCOCCn1cc(nn1)CCC(=O)NCCCC[C@@H]1C(=O)N2[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N4[C@@H](CCC4)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H](CCCC)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N)CSCCC(=O)N4CN(CN(C(=O)CCSC[C@@H](C(=O)N[C@H](C(=O)N5[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)O)CCC5)CC(C)(C)C)NC(=O)C)C4)C(=O)CCSC3)CCC2)CCOCCOCCOCCn1cc(nn1)CCC(=O)NCCCC[C@@H]1C(=O)N2[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N4[C@@H](CCC4)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H](CCCC)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N)CSCCC(=O)N4CN(CN(C(=O)CCSC[C@@H](C(=O)N[C@H](C(=O)N5[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)O)CCC5)CC(C)(C)C)NC(=O)C)C4)C(=O)CCSC3)CCC2"	"DQYZLSMANMRIEI-BOFVMFDGSA-N"	""	"yes"	""	""
"9669"	"BTB07018"	""	"Synthetic organic"	""	""	""	""	"348353628"	"131801155"	""	""	""	""	""	""	""	""	""	""	"Cc1ccc(cc1)C(=O)NN/C(=N/S(=O)(=O)c1ccc(cc1)n1nc(cc1c1cccs1)C(F)(F)F)/N1CCCC1"	"FPHDAMLVFFWTQL-UHFFFAOYSA-N"	"InChI=1S/C27H25F3N6O3S2/c1-18-6-8-19(9-7-18)25(37)31-32-26(35-14-2-3-15-35)34-41(38,39)21-12-10-20(11-13-21)36-22(23-5-4-16-40-23)17-24(33-36)27(28,29)30/h4-13,16-17H,2-3,14-15H2,1H3,(H,31,37)(H,32,34)"	""	""	""
"10289"	"BTD"	""	"Synthetic organic"	""	""	""	""	"381744970"	"46369355"	""	""	""	""	""	""	""	"N-[3-(1-adamantyloxy)propyl]-3-(6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)propanamide"	""	"K261-1567"	"O=C(CCC1=Nc2cc(C)ccc2S(=O)(=O)N1)NCCCOC12CC3CC(C2)CC(C1)C3"	"YXADKMPRWFBOHW-UHFFFAOYSA-N"	"InChI=1S/C24H33N3O4S/c1-16-3-4-21-20(9-16)26-22(27-32(21,29)30)5-6-23(28)25-7-2-8-31-24-13-17-10-18(14-24)12-19(11-17)15-24/h3-4,9,17-19H,2,5-8,10-15H2,1H3,(H,25,28)(H,26,27)"	""	""	""
"12531"	"BTDM"	""	"Synthetic organic"	""	""	""	""	"479821321"	"162423070"	""	""	""	""	""	""	""	"[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone"	""	""	"O1COC2=C1C=CC(=C2)NC=3SC=C(N3)C(=O)N4C[C@H](C[C@H](C4)C)C"	"UBMOUBBRNPNZPM-TXEJJXNPSA-N"	"InChI=1S/C18H21N3O3S/c1-11-5-12(2)8-21(7-11)17(22)14-9-25-18(20-14)19-13-3-4-15-16(6-13)24-10-23-15/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3,(H,19,20)/t11-,12+"	""	""	""
"10076"	"BTK inhibitor 16 [PMID: 30122225]"	""	"Synthetic organic"	""	""	""	""	"375973263"	"122513214"	""	""	""	""	""	""	""	"2-(4-phenoxyphenoxy)-6-[(1S,4S)-2-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide"	""	"example 90 [US20160264548]"	"C=CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(c(n1)Oc1ccc(cc1)Oc1ccccc1)C(=O)N"	"FVEYIFISRORTDD-ROUUACIJSA-N"	"InChI=1S/C26H24N4O4/c1-2-24(31)30-16-17-14-18(30)15-29(17)23-13-12-22(25(27)32)26(28-23)34-21-10-8-20(9-11-21)33-19-6-4-3-5-7-19/h2-13,17-18H,1,14-16H2,(H2,27,32)/t17-,18-/m0/s1"	""	""	""
"2438"	"BTP2"	""	"Synthetic organic"	""	""	""	""	"135650028"	"2455"	""	""	"CHEMBL262766"	""	""	""	""	"N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide"	""	"YM-58483"	"O=C(c1snnc1C)Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C(F)(F)F"	"XPRZIORDEVHURQ-UHFFFAOYSA-N"	"InChI=1S/C15H9F6N5OS/c1-7-12(28-25-23-7)13(27)22-8-2-4-9(5-3-8)26-11(15(19,20)21)6-10(24-26)14(16,17)18/h2-6H,1H3,(H,22,27)"	"yes"	""	""
"9315"	"B-TPMF"	""	"Synthetic organic"	""	""	""	""	"318164834"	"4436121"	""	""	""	""	""	""	""	"N-{7-[1-(4-tert-butyl-phenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N'-methoxy-formamidine"	""	"(-)-B-TPMF"	"CON=CNc1nn2c(n1)nccc2C(Oc1ccc(cc1)C(C)(C)C)C"	"HJKSIPKXGWOSBM-UHFFFAOYSA-N"	"InChI=1S/C19H24N6O2/c1-13(27-15-8-6-14(7-9-15)19(2,3)4)16-10-11-20-18-23-17(24-25(16)18)21-12-22-26-5/h6-13H,1-5H3,(H,21,22,24)"	""	""	""
"11489"	"BTT-3033"	""	"Synthetic organic"	""	""	""	""	"440816857"	"49841251"	""	""	"CHEMBL4303254"	""	""	""	""	"1-[4-[[1-(4-fluorophenyl)pyrazol-4-yl]sulfonyl-methylamino]phenyl]-3-phenylurea"	""	"BTT 3033|BTT3033"	"O=C(Nc1ccccc1)Nc1ccc(cc1)N(S(=O)(=O)c1cnn(c1)c1ccc(cc1)F)C"	"NSLIQOPYDUKWTA-UHFFFAOYSA-N"	"InChI=1S/C23H20FN5O3S/c1-28(33(31,32)22-15-25-29(16-22)21-11-7-17(24)8-12-21)20-13-9-19(10-14-20)27-23(30)26-18-5-3-2-4-6-18/h2-16H,1H3,(H2,26,27,30)"	""	""	""
"13034"	"BTZ-043"	""	"Synthetic organic"	""	""	""	""	"485206155"	"42609849"	""	""	"CHEMBL1822872"	""	""	""	""	"2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one"	""	"BTZ-10526043|MMV676603"	"C[C@H]1COC2(O1)CCN(CC2)C3=NC(=O)C4=C(S3)C(=CC(=C4)C(F)(F)F)[N+](=O)[O-]"	"GTUIRORNXIOHQR-VIFPVBQESA-N"	"InChI=1S/C17H16F3N3O5S/c1-9-8-27-16(28-9)2-4-22(5-3-16)15-21-14(24)11-6-10(17(18,19)20)7-12(23(25)26)13(11)29-15/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1"	""	""	"yes"
"9294"	"BU08028"	""	"Synthetic organic"	""	""	""	""	"318164813"	"50922685"	""	""	""	""	""	""	""	"(2S)-2-[(5R,6R,7R,14S)-N-cyclopropylmethyl-4,5-epoxy-6,14-ethano-3-hydroxy-6-methoxymorphinan-7-yl]-3,3-dimethylpentan-2-ol"	""	"compound 1b [PMID: 21866885]"	"CO[C@]12CC[C@]3(C[C@@H]1[C@@](C(CC)(C)C)(O)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(CC1)CC1CC1)ccc2O"	"HBENZIXOGRCSQN-VQWWACLZSA-N"	"InChI=1S/C30H43NO4/c1-6-26(2,3)27(4,33)21-16-28-11-12-30(21,34-5)25-29(28)13-14-31(17-18-7-8-18)22(28)15-19-9-10-20(32)24(35-25)23(19)29/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22-,25-,27+,28-,29+,30-/m1/s1"	""	""	""
"14129"	"BU10038"	""	"Synthetic organic"	""	""	""	""	"518520756"	"176516523"	""	""	""	""	""	""	""	""	""	""	"OC1=C2OC3C(=O)CC[C@@]4(OC(=O)CCC5=CC=CC=C5)C6CC(C=C1)=C2[C@@]34CCN6CC7CC7"	"OEDIVSXRWVRZRI-WADWYGEVSA-N"	"InChI=1S/C29H31NO5/c31-21-10-9-20-16-23-29(35-24(33)11-8-18-4-2-1-3-5-18)13-12-22(32)27-28(29,25(20)26(21)34-27)14-15-30(23)17-19-6-7-19/h1-5,9-10,19,23,27,31H,6-8,11-17H2/t23?,27?,28-,29+/m0/s1"	""	""	""
"9363"	"BU72"	""	"Synthetic organic"	""	""	""	""	"328083465"	"155804574"	""	""	""	""	""	""	""	"(2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol"	""	"compound 10 (Husbands and Lewis, 1995)"	"CO[C@@]12C=C[C@@]34[C@@]5([C@@H]1N[C@@H]([C@]2(C)C3)c1ccccc1)CCN([C@@H]4Cc1c5cc(O)cc1)C"	"RGJHUVJQGAAZLK-GKTFKBBASA-N"	"InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23-,24+,25+,26-,27+,28+/m1/s1"	""	""	""
"13193"	"bucindolol"	""	"Synthetic organic"	""	""	""	""	"491299975"	"51045"	""	""	"CHEMBL321582"	""	""	""	""	"2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile"	"bucindolol"	"MJ 13105|MJ-13105"	"CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O"	"FBMYKMYQHCBIGU-UHFFFAOYSA-N"	"InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3"	""	""	""
"5485"	"bucladesine"	""	"Synthetic organic"	""	""	""	""	"178102132"	"9687"	""	""	"CHEMBL485980"	""	""	""	""	"(4aR,6R,7R,7aR)-6-(6-butanamido-9H-purin-9-yl)-2-hydroxy-2-oxo-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-7-yl butanoate"	"bucladesine"	"actosin|cyclic AMP dibutyrate|dbcAMP|dibutyryl cAMP"	"CCCC(=O)O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC"	"CJGYSWNGNKCJSB-YVLZZHOMSA-N"	"InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/t10-,14-,15-,18-/m1/s1"	""	""	""
"7134"	"buclizine"	""	"Synthetic organic"	"yes"	""	""	""	"178103710"	"6729"	""	""	"CHEMBL1201271"	""	""	""	""	"1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)(phenyl)methyl]piperazine"	"buclizine"	"UCB-4445"	"Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1ccc(cc1)C(C)(C)C"	"MOYGZHXDRJNJEP-UHFFFAOYSA-N"	"InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3"	""	""	""
"7434"	"budesonide"	""	"Synthetic organic"	"yes"	""	""	""	"178104006"	"5281004"	""	""	"CHEMBL1370"	""	""	""	""	""	"budesonide"	"Entocort&reg;|Eohilia&reg; (budesonide oral suspension)|Jorveza&reg;|Pulmicort&reg;|S-1320|Uceris&reg;"	"CCCC1O[C@H]2[C@](O1)(C(=O)CO)[C@@]1([C@@H](C2)[C@@H]2CCC3=CC(=O)C=C[C@@]3([C@H]2[C@H](C1)O)C)C"	"VOVIALXJUBGFJZ-KWVAZRHASA-N"	"InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1"	"yes"	""	""
"1219"	"BU-E 47"	""	"Synthetic organic"	""	""	""	""	"135650029"	"14660352"	""	""	"CHEMBL304239"	""	""	""	""	"1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine"	""	""	"NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)Cl"	"ZOROCGHIPADEFK-UHFFFAOYSA-N"	"InChI=1S/C21H25ClN6/c22-17-8-6-16(7-9-17)19(20-5-1-2-11-25-20)10-13-27-21(23)26-12-3-4-18-14-24-15-28-18/h1-2,5-9,11,14-15,19H,3-4,10,12-13H2,(H,24,28)(H3,23,26,27)"	""	""	""
"7498"	"bufexamac"	""	"Synthetic organic"	"yes"	"yes"	""	""	"187051800"	"2466"	""	""	"CHEMBL94394"	""	""	""	""	"2-(4-butoxyphenyl)-N-hydroxyacetamide"	"bufexamac"	"CP-1044-J3|Paraderm&reg;|Parfenac&reg;"	"CCCCOc1ccc(cc1)CC(=O)NO"	"MXJWRABVEGLYDG-UHFFFAOYSA-N"	"InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)"	""	""	""
"144"	"bufotenine"	""	"Natural product"	""	""	""	""	"135650030"	"10257"	""	""	"CHEMBL416526"	""	""	""	""	"3-(2-dimethylaminoethyl)-1H-indol-5-ol"	""	"5-OH-DMT|dimethylserotonin|DM5-HT|N,N-dimethyl-5-HT|N,N-dimethylserotonin"	"CN(CCc1c[nH]c2c1cc(O)cc2)C"	"VTTONGPRPXSUTJ-UHFFFAOYSA-N"	"InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3"	""	""	""
"9834"	"bufuralol"	""	"Synthetic organic"	""	""	""	""	"363894128"	"71733"	""	""	"CHEMBL296035"	""	""	""	""	"2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol"	""	""	"CCc1cccc2c1oc(c2)C(CNC(C)(C)C)O"	"SSEBTPPFLLCUMN-UHFFFAOYSA-N"	"InChI=1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3"	""	""	""
"10414"	"bulaquine"	""	"Synthetic organic"	""	""	""	""	"385612174"	"3036820"	""	""	"CHEMBL2106578"	""	""	""	""	"(3E)-3-[1-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]ethylidene]oxolan-2-one"	"bulaquine"	"CDRI-80/53|elubaquine"	"COc1cc(NC(CCCN/C(=C/2\CCOC2=O)/C)C)c2c(c1)cccn2"	"ADCOUXIGWFEYJP-OBGWFSINSA-N"	"InChI=1S/C21H27N3O3/c1-14(6-4-9-22-15(2)18-8-11-27-21(18)25)24-19-13-17(26-3)12-16-7-5-10-23-20(16)19/h5,7,10,12-14,22,24H,4,6,8-9,11H2,1-3H3/b18-15+"	""	"yes"	""
"12775"	"bulevirtide"	""	"Peptide"	"yes"	""	""	""	"483123323"	"0"	""	""	""	""	""	""	""	""	"bulevirtide"	"BLV|bulevirtide-gmod|formerly Myrcludex B|Hepcludex&reg;"	""	""	""	""	""	""
"4837"	"bumetanide"	""	"Synthetic organic"	"yes"	""	""	""	"178101539"	"2471"	""	""	"CHEMBL1072"	""	""	""	""	"3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid"	"bumetanide"	"Bumex&reg;|Burinex&reg;|PF 1593|Ro 10-6338"	"CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O"	"MAEIEVLCKWDQJH-UHFFFAOYSA-N"	"InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)"	""	""	""
"570"	"bunolol"	""	"Synthetic organic"	"yes"	""	""	""	"135650031"	"3914"	""	""	"CHEMBL293030"	""	""	""	""	"5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one"	"bunolol"	"(+/-)-bunolol|BRN 1887243|racemic bunolol|W-6421A"	"CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O"	"IXHBTMCLRNMKHZ-UHFFFAOYSA-N"	"InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3"	""	""	""
"7878"	"buparlisib"	""	"Synthetic organic"	""	""	""	""	"223366207"	"16654980"	""	""	"CHEMBL2017974"	""	""	""	""	"5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine"	"buparlisib"	"BKM 120|BKM-120|BKM120|NVP-BKM120"	"Nc1ncc(c(c1)C(F)(F)F)c1cc(nc(n1)N1CCOCC1)N1CCOCC1"	"CWHUFRVAEUJCEF-UHFFFAOYSA-N"	"InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)"	""	""	""
"2397"	"bupivacaine"	""	"Synthetic organic"	"yes"	""	""	""	"135650032"	"2474"	""	""	"CHEMBL1098"	""	""	""	""	"1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide"	"bupivacaine"	"DL-Bupivacaine|Exparel&reg;|Marcain&reg;|Posimir&reg;|Sensorcaine&reg;|W-7|Xaracoll&reg;"	"CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C"	"LEBVLXFERQHONN-UHFFFAOYSA-N"	"InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)"	""	""	""
"550"	"bupranolol"	""	"Synthetic organic"	"yes"	""	""	""	"135650033"	"2475"	""	""	"CHEMBL305380"	""	""	""	""	"1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol"	"bupranolol"	"Betadrenol&reg;|BRN 2272923|Ophtorenin&reg;|SK&F 16805-A"	"OC(COc1cc(C)ccc1Cl)CNC(C)(C)C"	"HQIRNZOQPUAHHV-UHFFFAOYSA-N"	"InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3"	""	""	""
"1670"	"buprenorphine"	""	"Synthetic organic"	"yes"	""	""	""	"135652673"	"644073"	""	""	"CHEMBL560511"	""	""	""	""	"(1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7(12),8,10-trien-11-ol"	"buprenorphine"	"Buprenex&reg;|Buvidal&reg;|CAM2038|Sixmo&reg; (buprenorphine hydrochloride)|Subutex&reg;|Temgesic&reg;"	"CO[C@]12CC[C@]3(C[C@@H]1[C@@](C(C)(C)C)(O)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(CC1)CC1CC1)ccc2O"	"RMRJXGBAOAMLHD-IHFGGWKQSA-N"	"InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1"	""	""	""
"7135"	"bupropion"	""	"Synthetic organic"	"yes"	""	""	""	"178103711"	"444"	""	""	"CHEMBL894"	""	""	""	""	"2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one"	"bupropion"	"amfebutamone|BW-323|Wellbutrin&reg;|Zyban&reg;"	"Clc1cccc(c1)C(=O)C(NC(C)(C)C)C"	"SNPPWIUOZRMYNY-UHFFFAOYSA-N"	"InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3"	""	""	""
"1229"	"burimamide"	""	"Synthetic organic"	""	""	""	""	"135650034"	"5311293"	""	""	""	""	""	""	""	"1-[4-(1H-indazol-4-yl)butyl]-3-methylthiourea"	""	""	"CNC(=S)NCCCCc1cccc2c1cn[nH]2"	"TXQIYKPZFOKCHA-UHFFFAOYSA-N"	"InChI=1S/C13H18N4S/c1-14-13(18)15-8-3-2-5-10-6-4-7-12-11(10)9-16-17-12/h4,6-7,9H,2-3,5,8H2,1H3,(H,16,17)(H2,14,15,18)"	""	""	""
"9292"	"burosumab"	""	"Antibody"	"yes"	""	""	""	"318164811"	"0"	""	""	""	""	""	""	""	""	"burosumab"	"burosumab-twza|Crysvita&reg;|KRN-23|KRN23|N5KG1_C10_LH|UX-023|UX023"	""	""	""	""	""	""
"3860"	"buserelin"	""	"Peptide"	"yes"	""	""	""	"178100699"	"50225"	""	""	"CHEMBL2110824"	""	""	""	""	"(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide"	"buserelin"	"buserelin acetate|HOE 766|HOE 766A|ICI 123215|Metrelef&reg;|Suprefact&reg;"	"CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)CO)COC(C)(C)C)CC(C)C)CCCN=C(N)N"	"CUWODFFVMXJOKD-UVLQAERKSA-N"	"InChI=1S/C60H86N16O13/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65)/t40-,41-,42-,43-,44-,45-,46-,47+,48-/m0/s1"	""	""	""
"36"	"buspirone"	""	"Synthetic organic"	"yes"	""	""	""	"135650035"	"2477"	""	""	"CHEMBL49"	""	""	""	""	"8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione"	"buspirone"	"Buspar&reg;|MJ-9022-1"	"O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1"	"QWCRAEMEVRGPNT-UHFFFAOYSA-N"	"InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2"	""	""	""
"7136"	"busulfan"	""	"Synthetic organic"	"yes"	""	""	""	"178103712"	"2478"	""	""	"CHEMBL820"	""	""	""	""	"4-(methanesulfonyloxy)butyl methanesulfonate"	"busulfan"	"Busulfex IV&reg;|Myleran&reg;"	"CS(=O)(=O)OCCCCOS(=O)(=O)C"	"COVZYZSDYWQREU-UHFFFAOYSA-N"	"InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3"	""	""	""
"7137"	"butabarbital"	""	"Synthetic organic"	"yes"	""	""	""	"178103713"	"2479"	""	""	"CHEMBL449"	""	""	""	""	"5-(butan-2-yl)-5-ethyl-4,6-dihydroxy-2,5-dihydropyrimidin-2-one"	"secbutabarbital"	"Butisol&reg;"	"CCC(C1(CC)C(=NC(=O)N=C1O)O)C"	"ZRIHAIZYIMGOAB-UHFFFAOYSA-N"	"InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)"	""	""	""
"62"	"(+)-butaclamol"	""	"Synthetic organic"	""	""	""	""	"135650036"	"37459"	""	""	"CHEMBL8514"	""	""	""	""	"(1S,6S,8S)-6-tert-butyl-3-azapentacyclo[11.8.1.0^{3,8}.0^{9,22}.0^{16,21}]docosa-9,11,13(22),16,18,20-hexaen-6-ol"	"butaclamol"	""	"O[C@]1(CCN2[C@@H](C1)c1cccc3c1[C@@H](C2)c1ccccc1CC3)C(C)(C)C"	"ZZJYIKPMDIWRSN-HWBMXIPRSA-N"	"InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1"	""	""	""
"7138"	"butalbital"	""	"Synthetic organic"	"yes"	""	""	""	"178103714"	"2481"	""	""	"CHEMBL454"	""	""	""	""	"4,6-dihydroxy-5-(2-methylpropyl)-5-(prop-2-en-1-yl)-2,5-dihydropyrimidin-2-one"	"butalbital"	"alisobumal|allylbarbituric acid|itobarbital|tetrallobarbital"	"C=CCC1(CC(C)C)C(=NC(=O)N=C1O)O"	"UZVHFVZFNXBMQJ-UHFFFAOYSA-N"	"InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)"	""	""	""
"14031"	"butantoxin"	""	"Peptide"	""	""	""	""	"518520658"	"0"	""	""	""	""	""	""	""	""	""	"&alpha;-KTx<sub>12.1</sub>"	""	""	""	""	""	""
"3379"	"butaprost"	""	"Synthetic organic"	""	""	""	""	"135650037"	"5311035"	""	""	"CHEMBL271896"	""	""	""	""	"methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(1E,4R)-4-hydroxy-4-(1-propylcyclobutyl)but-1-en-1-yl]-5-oxocyclopentyl]heptanoate"	"butaprost"	""	"CCCC1(CCC1)[C@@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)O"	"XRISENIKJUKIHD-LHQZMKCDSA-N"	"InChI=1S/C24H40O5/c1-3-14-24(15-9-16-24)22(27)12-8-11-19-18(20(25)17-21(19)26)10-6-4-5-7-13-23(28)29-2/h8,11,18-19,21-22,26-27H,3-7,9-10,12-17H2,1-2H3/b11-8+/t18-,19-,21-,22-/m1/s1"	""	""	""
"1892"	"butaprost (free acid form)"	""	"Synthetic organic"	""	""	""	""	"135650038"	"25886893"	""	""	"CHEMBL1628262"	""	""	""	""	"7-[(1R,2R,3R)-3-hydroxy-2-[(E,4S)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]heptanoic acid"	""	"butaprost acid"	"CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O"	"PAYNQYXOKJDXAV-ZHIWTBQHSA-N"	"InChI=1S/C23H38O5/c1-2-13-23(14-8-15-23)21(26)11-7-10-18-17(19(24)16-20(18)25)9-5-3-4-6-12-22(27)28/h7,10,17-18,20-21,25-26H,2-6,8-9,11-16H2,1H3,(H,27,28)/b10-7+/t17-,18-,20-,21+/m1/s1"	""	""	""
"10766"	"butikacin"	""	"Synthetic organic"	""	""	""	""	"405560207"	"11954318"	""	""	"CHEMBL2304044"	""	""	""	""	"(2R,3R,4S,5S,6R)-2-[(1R,2S,3S,4R,6S)-6-amino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[[(2S)-4-amino-2-hydroxybutyl]amino]-2-hydroxycyclohexyl]oxy-6-(aminomethyl)oxane-3,4,5-triol"	"butikacin"	"UK-18,892|UK-18892|UK18892"	"NCC[C@@H](CN[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O"	"OCFOTEIMZBKQFS-DGMGPCKZSA-N"	"InChI=1S/C22H45N5O12/c23-2-1-7(29)5-27-9-3-8(25)19(38-22-17(34)16(33)14(31)10(4-24)36-22)18(35)20(9)39-21-15(32)12(26)13(30)11(6-28)37-21/h7-22,27-35H,1-6,23-26H2/t7-,8-,9+,10+,11+,12-,13+,14+,15+,16-,17+,18-,19+,20-,21+,22+/m0/s1"	""	""	"yes"
"7591"	"butorphanol"	""	"Synthetic organic"	"yes"	""	""	""	"223365926"	"5361092"	""	""	"CHEMBL33986"	""	""	""	""	""	"butorphanol"	"butorphanol tartrate|LEVO-BC-2627"	"Oc1ccc2c(c1)[C@]13CCCC[C@]3([C@@H](C2)N(CC1)CC1CCC1)O"	"IFKLAQQSCNILHL-QHAWAJNXSA-N"	"InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1"	""	""	""
"9809"	"butoxamine"	""	"Synthetic organic"	""	""	""	""	"354702281"	"134495"	""	""	"CHEMBL289093"	""	""	""	""	"2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol"	"butaxamine"	""	"COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC"	"TWUSDDMONZULSC-UHFFFAOYSA-N"	"InChI=1S/C15H25NO3/c1-10(16-15(2,3)4)14(17)12-9-11(18-5)7-8-13(12)19-6/h7-10,14,16-17H,1-6H3"	""	""	""
"1059"	"butyric acid"	""	"Metabolite"	""	""	""	""	"135650039"	"264"	""	""	"CHEMBL14227"	""	""	""	""	"butanoic acid"	""	"butanoic acid|butyrate|C4"	"CCCC(=O)O"	"FERIUCNNQQJTOY-UHFFFAOYSA-N"	"InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)"	"yes"	""	""
"14391"	"buxusemine L"	""	"Natural product"	""	""	""	""	"523352183"	"177924594"	""	""	""	""	""	""	""	""	""	"BXSL|compound 10 [PMID: 37997012]|compound 12 [PMID: 33652163]"	"[H][C@@]12CC[C@]3([H])C(CC1=CC[C@]4(C)[C@@H](C(C)NC(=O)C5=CC=CC=C5)[C@@H](C[C@@]24C)OC(C)=O)=CC[C@H](NC)C3(C)C"	"AFUBZSSGHUOQAY-SFWXCOKESA-N"	"InChI=1S/C34H48N2O3/c1-21(36-31(38)23-11-9-8-10-12-23)30-28(39-22(2)37)20-34(6)27-15-14-26-24(13-16-29(35-7)32(26,3)4)19-25(27)17-18-33(30,34)5/h8-13,17,21,26-30,35H,14-16,18-20H2,1-7H3,(H,36,38)/t21?,26-,27-,28-,29+,30+,33-,34+/m1/s1"	""	""	""
"7914"	"BV-6"	""	"Synthetic organic"	""	""	""	""	"249565597"	"23657864"	""	""	""	""	""	""	""	"(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-methylaminopropanoyl]amino]acetyl]-N-[(2S)-1-[6-[[(2S)-2-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-methylaminopropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3,3-di(phenyl)propanoyl]amino]hexylamino]-1-oxo-3,3-di(phenyl)propan-2-yl]pyrrolidine-2-carboxamide"	""	"BV6"	"CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCCCCNC(=O)[C@H](C(c1ccccc1)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C1CCCCC1)NC(=O)[C@@H](NC)C)C1CCCCC1)C"	"DPXJXGNXKOVBJV-YLOPQIBLSA-N"	"InChI=1S/C70H96N10O8/c1-47(71-3)63(81)75-59(53-37-21-11-22-38-53)69(87)79-45-27-41-55(79)65(83)77-61(57(49-29-13-7-14-30-49)50-31-15-8-16-32-50)67(85)73-43-25-5-6-26-44-74-68(86)62(58(51-33-17-9-18-34-51)52-35-19-10-20-36-52)78-66(84)56-42-28-46-80(56)70(88)60(54-39-23-12-24-40-54)76-64(82)48(2)72-4/h7-10,13-20,29-36,47-48,53-62,71-72H,5-6,11-12,21-28,37-46H2,1-4H3,(H,73,85)(H,74,86)(H,75,81)(H,76,82)(H,77,83)(H,78,84)/t47-,48-,55-,56-,59-,60-,61-,62-/m0/s1"	""	""	""
"5362"	"Bv8"	""	"Peptide"	""	""	""	""	"178102024"	"0"	""	""	""	""	""	""	""	""	""	"<i>Bombina variegata</i> protein"	""	""	""	""	""	""
"5825"	"BVT173187"	""	"Synthetic organic"	""	""	""	""	"178102450"	"73755160"	""	""	""	""	""	""	""	"3,5-dichloro-N-(2-chloro-5-methylphenyl)-2-hydroxybenzamide"	""	"BVT 173187"	"Cc1ccc(c(c1)NC(=O)c1cc(Cl)cc(c1O)Cl)Cl"	"UCOQCHLODZCXRH-UHFFFAOYSA-N"	"InChI=1S/C14H10Cl3NO2/c1-7-2-3-10(16)12(4-7)18-14(20)9-5-8(15)6-11(17)13(9)19/h2-6,19H,1H3,(H,18,20)"	""	""	""
"1878"	"BW 245C"	""	"Synthetic organic"	""	""	""	""	"135650040"	"119304"	""	""	"CHEMBL575504"	""	""	""	""	"7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid"	""	"BW-245C|BW245C"	"OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O"	"ZIDQIOZJEJFMOH-UHFFFAOYSA-N"	"InChI=1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)"	""	""	""
"6600"	"BW284C51"	""	"Synthetic organic"	""	""	""	""	"178103213"	"1338"	""	""	"CHEMBL140020"	""	""	""	""	"[4-[5-[4-(dimethyl-prop-2-enylazaniumyl)phenyl]-3-oxopentyl]phenyl]-dimethyl-prop-2-enylazanium"	""	""	"C=CC[N+](c1ccc(cc1)CCC(=O)CCc1ccc(cc1)[N+](CC=C)(C)C)(C)C"	"ZAEXMNKDGJNLTA-UHFFFAOYSA-N"	"InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2"	""	""	""
"9002"	"BW373U86"	""	"Synthetic organic"	""	""	""	""	"310264780"	"119029"	""	""	"CHEMBL25230"	""	""	""	""	"4-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide"	""	"BW 373U86|BW-373U86|SNC-86"	"C=CCN1C[C@H](C)N(C[C@H]1C)[C@@H](c1cccc(c1)O)c1ccc(cc1)C(=O)N(CC)CC"	"LBLDMHBSVIVJPM-YZIHRLCOSA-N"	"InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1"	""	""	""
"161"	"BW723C86"	""	"Synthetic organic"	""	""	""	""	"135650041"	"4284720"	""	""	"CHEMBL1255834"	""	""	""	""	"1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine"	""	"BW-72386"	"CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N"	"ALFGDCNSEBJYSP-UHFFFAOYSA-N"	"InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3"	""	""	""
"443"	"BW-A1433"	""	"Synthetic organic"	""	""	""	""	"135650042"	"6439089"	""	""	"CHEMBL16997"	""	""	""	""	"(E)-3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]prop-2-enoic acid"	""	"BWA1433"	"CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)/C=C/C(=O)O"	"UGCOFEOEBHUEHA-JXMROGBWSA-N"	"InChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)/b10-7+"	""	""	""
"12912"	"BWA-522"	""	"Synthetic organic"	""	""	""	""	"485206033"	"168679672"	""	""	""	""	""	""	""	"5-(4-((4-((4-(2-(4-((S)-3-Chloro-2-hydroxypropoxy)phenyl)propan-2-yl)phenoxy)methyl)-piperidin-1-yl)methyl)piperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione"	""	"BWA522|compound 28 [PMID: 37556600]"	"ClC[C@H](COC1=CC=C(C=C1)C(C)(C)C2=CC=C(OCC3CCN(CC3)CC4CCN(CC4)C=5C=C6C(N(C(C6=CC5)=O)C7C(NC(CC7)=O)=O)=O)C=C2)O"	"MYCPBYLZNZTLBC-OVFDOZPJSA-N"	"InChI=1S/C43H51ClN4O7/c1-43(2,31-5-10-35(11-6-31)55-27-33(49)24-44)30-3-8-34(9-4-30)54-26-29-15-19-46(20-16-29)25-28-17-21-47(22-18-28)32-7-12-36-37(23-32)42(53)48(41(36)52)38-13-14-39(50)45-40(38)51/h3-12,23,28-29,33,38,49H,13-22,24-27H2,1-2H3,(H,45,50,51)/t33-,38?/m1/s1"	""	""	""
"1897"	"BWA868C"	""	"Synthetic organic"	""	""	""	""	"135650043"	"122021"	""	""	""	""	""	""	""	"7-[3-[(2-cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxo-1-(phenylmethyl)imidazolidin-4-yl]heptanoic acid"	""	"BWA 868C|BWA-868C"	"OC(=O)CCCCCCC1N(NCC(C2CCCCC2)O)C(=O)N(C1=O)Cc1ccccc1"	"YZJVWSKJHGEIBL-UHFFFAOYSA-N"	"InChI=1S/C25H37N3O5/c29-22(20-13-7-4-8-14-20)17-26-28-21(15-9-1-2-10-16-23(30)31)24(32)27(25(28)33)18-19-11-5-3-6-12-19/h3,5-6,11-12,20-22,26,29H,1-2,4,7-10,13-18H2,(H,30,31)"	""	""	""
"11393"	"BW B70C"	""	"Synthetic organic"	""	""	""	""	"440816762"	"5353454"	""	""	"CHEMBL86676"	""	""	""	""	"1-[(E)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea"	""	"BW-B70C|BWB-70C|BWB70C"	"Fc1ccc(cc1)Oc1cccc(c1)/C=C/C(N(C(=O)N)O)C"	"UAIYNMRLUHHRMF-AATRIKPKSA-N"	"InChI=1S/C17H17FN2O3/c1-12(20(22)17(19)21)5-6-13-3-2-4-16(11-13)23-15-9-7-14(18)8-10-15/h2-12,22H,1H3,(H2,19,21)/b6-5+"	""	""	""
"12809"	"BWC0977"	""	"Synthetic organic"	""	""	""	""	"483123357"	"137357786"	""	""	""	""	""	""	""	""	""	""	"CN1C(=O)C=CC2=C1C(=C(C=C2)F)CCNC[C@@H]3CN(C4=CN=C5C(=N4)NC(=O)CO5)C(=O)O3"	"MKICNOUBIXXGPQ-CYBMUJFWSA-N"	"InChI=1S/C22H21FN6O5/c1-28-18(31)5-3-12-2-4-15(23)14(19(12)28)6-7-24-8-13-10-29(22(32)34-13)16-9-25-21-20(26-16)27-17(30)11-33-21/h2-5,9,13,24H,6-8,10-11H2,1H3,(H,26,27,30)/t13-/m1/s1"	""	""	"yes"
"1766"	"BX 048"	""	"Synthetic organic"	""	""	""	""	"135650044"	"16741348"	""	""	""	""	""	""	""	"5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxy-7-methylquinoline-2-carbonyl]amino]-5-oxopentanoic acid"	""	"BX-048|BX048"	"CCOC(=O)N1CCN(CC1)C(=O)C(NC(=O)c1cc(OC(C(=O)O)(C)C)c2c(n1)cc(cc2)C)CCC(=O)O"	"MCBLPJPMVOVJCO-UHFFFAOYSA-N"	"InChI=1S/C27H34N4O9/c1-5-39-26(38)31-12-10-30(11-13-31)24(35)18(8-9-22(32)33)29-23(34)20-15-21(40-27(3,4)25(36)37)17-7-6-16(2)14-19(17)28-20/h6-7,14-15,18H,5,8-13H2,1-4H3,(H,29,34)(H,32,33)(H,36,37)"	""	""	""
"9543"	"BX-430"	""	"Synthetic organic"	""	""	""	""	"336446929"	"2810999"	""	""	"CHEMBL1532400"	""	""	""	""	"1-(2,6-dibromo-4-propan-2-ylphenyl)-3-pyridin-3-ylurea"	""	"BX430"	"O=C(Nc1c(Br)cc(cc1Br)C(C)C)Nc1cccnc1"	"JFNKIJKRXKPQCC-UHFFFAOYSA-N"	"InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)"	""	""	""
"767"	"BX 471"	""	"Synthetic organic"	""	""	""	""	"135650045"	"512282"	""	""	"CHEMBL232656"	""	""	""	""	"[5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]urea"	""	"BX-471|BX-741"	"NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F"	"XQYASZNUFDVMFH-CQSZACIVSA-N"	"InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1"	"yes"	""	""
"1767"	"BX 667"	""	"Synthetic organic"	""	""	""	""	"135650046"	"16681707"	""	""	"CHEMBL2172275"	""	""	""	""	"(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxy-7-methylquinoline-2-carbonyl]amino]-5-oxopentanoic acid"	""	"BX-667|BX667"	"CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1nc2cc(C)ccc2c(c1)OC(C(=O)OCC)(C)C)CCC(=O)O"	"PHDMSNZRDFPYNQ-FQEVSTJZSA-N"	"InChI=1S/C29H38N4O9/c1-6-40-27(38)29(4,5)42-23-17-22(30-21-16-18(3)8-9-19(21)23)25(36)31-20(10-11-24(34)35)26(37)32-12-14-33(15-13-32)28(39)41-7-2/h8-9,16-17,20H,6-7,10-15H2,1-5H3,(H,31,36)(H,34,35)/t20-/m0/s1"	""	""	""
"8006"	"BX-795"	""	"Synthetic organic"	""	""	""	""	"249565686"	"10077147"	""	""	"CHEMBL577784"	""	""	""	""	"N-[3-[[5-iodo-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide"	""	"BX 795|BX795"	"O=C(N1CCCC1)Nc1cccc(c1)Nc1ncc(c(n1)NCCCNC(=O)c1cccs1)I"	"VAVXGGRQQJZYBL-UHFFFAOYSA-N"	"InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)"	"yes"	""	""
"8007"	"BX-912"	""	"Synthetic organic"	""	""	""	""	"249565687"	"11754511"	""	""	""	""	""	""	""	"N-[3-[[5-bromo-4-[2-(3H-imidazol-4-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide"	""	"BX 912|BX912"	"O=C(N1CCCC1)Nc1cccc(c1)Nc1ncc(c(n1)NCCc1cnc[nH]1)Br"	"DMMILYKXNCVKOJ-UHFFFAOYSA-N"	"InChI=1S/C20H23BrN8O/c21-17-12-24-19(28-18(17)23-7-6-16-11-22-13-25-16)26-14-4-3-5-15(10-14)27-20(30)29-8-1-2-9-29/h3-5,10-13H,1-2,6-9H2,(H,22,25)(H,27,30)(H2,23,24,26,28)"	""	""	""
"13933"	"BY13"	""	"Synthetic organic"	""	""	""	""	"513757618"	"175670511"	""	""	""	""	""	""	""	"2-(2,6-dioxopiperidin-3-yl)-4-[4-(3-{2-[(2E)-2-[1-(pyridin-2-yl)ethylidene]hydrazin-1-yl]-1H-1,3-benzodiazol-1-yl}azetidin-1-yl)piperidin-1-yl]-2,3-dihydro-1H-isoindole-1,3-dione"	""	""	"C/C(/C1=CC=CC=N1)=N\NC2=NC3=CC=CC=C3N2C4CN(C5CCN(C6=CC=CC=7C(N(C8CCC(NC8=O)=O)C(C76)=O)=O)CC5)C4"	"AXNQNPVSVCEGTP-LALXJTNGSA-N"	"InChI=1S/C35H35N9O4/c1-21(25-8-4-5-16-36-25)39-40-35-37-26-9-2-3-10-27(26)43(35)23-19-42(20-23)22-14-17-41(18-15-22)28-11-6-7-24-31(28)34(48)44(33(24)47)29-12-13-30(45)38-32(29)46/h2-11,16,22-23,29H,12-15,17-20H2,1H3,(H,37,40)(H,38,45,46)/b39-21+"	""	""	""
"1757"	"BzATP"	""	"Synthetic organic"	""	""	""	""	"135651449"	"115205"	""	""	"CHEMBL2407634"	""	""	""	""	"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-(benzoyl)benzoate"	""	""	"O[C@@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c2ccccc2)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(OP(=O)(OP(=O)(O)O)O)O"	"AWJJLYZBWRIBCZ-UGTJMOTHSA-N"	"InChI=1S/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1"	""	""	""
"2159"	"[Bz-Phe6]U-II (human)"	""	"Peptide"	""	""	""	""	"135652049"	"0"	""	""	""	""	""	""	""	""	""	"human [Bz-Phe6] urotensin-II"	""	""	""	""	""	""
"7515"	"BzT-7"	""	"Synthetic organic"	""	""	""	""	"187051817"	"20350618"	""	""	"CHEMBL1958337"	""	""	""	""	"8-chloro-1,4-dimethyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine"	""	""	"Clc1ccc2c(c1)c(nn(c1n2c(C)nn1)C)c1ccccc1"	"UYIVCPRWMLOCSB-UHFFFAOYSA-N"	"InChI=1S/C17H14ClN5/c1-11-19-20-17-22(2)21-16(12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)23(11)17/h3-10H,1-2H3"	""	""	""
"12146"	"C004019"	""	"Synthetic organic"	""	""	""	""	"472319268"	"164889480"	""	""	""	""	""	""	""	""	""	""	"CN(CC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(cc1)c1c(C)ncs1)C(C)(C)C)c1nc(NCCc2cccs2)nc(n1)N1CCCN(CC1)C(=O)C"	"IXTMPMLKABNFTQ-LLIFGLRNSA-N"	"InChI=1S/C49H70N12O9S2/c1-33-42(72-32-53-33)36-12-10-35(11-13-36)28-52-44(66)39-27-37(63)29-61(39)45(67)43(49(3,4)5)54-41(65)31-70-25-24-69-23-22-68-21-16-50-40(64)30-58(6)47-55-46(51-15-14-38-9-7-26-71-38)56-48(57-47)60-18-8-17-59(19-20-60)34(2)62/h7,9-13,26,32,37,39,43,63H,8,14-25,27-31H2,1-6H3,(H,50,64)(H,52,66)(H,54,65)(H,51,55,56,57)/t37-,39+,43+/m0/s1"	""	""	""
"5779"	"C089"	""	"Peptide"	""	""	""	""	"178102404"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9180"	"C108297"	""	"Synthetic organic"	""	""	""	""	"315661262"	"25110774"	""	""	"CHEMBL270575"	""	""	""	""	"(4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(2-methoxyethoxymethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline"	""	"Compound 52  [PMID:18226897]"	"COCCOC[C@@]12Cc3cnn(c3C=C2CCN(C1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)F"	"OMKDFVUMRKROMY-SSEXGKCCSA-N"	"InChI=1S/C30H36FN3O4S/c1-29(2,3)23-5-11-27(12-6-23)39(35,36)33-14-13-24-17-28-22(18-30(24,20-33)21-38-16-15-37-4)19-32-34(28)26-9-7-25(31)8-10-26/h5-12,17,19H,13-16,18,20-21H2,1-4H3/t30-/m1/s1"	"yes"	""	""
"13180"	"C10 (homobivalent 4-aminoquinoline)"	""	"Synthetic organic"	""	""	""	""	"491299962"	"151782"	""	""	"CHEMBL121656"	""	""	""	""	"N,N'-di(quinolin-4-yl)decane-1,10-diamine"	""	""	"C(CCCCCNC1=C2C=CC=CC2=NC=C1)CCCCNC3=CC=NC4=C3C=CC=C4"	"LTCUGTXKTQPZNT-UHFFFAOYSA-N"	"InChI=1S/C28H34N4/c1(3-5-11-19-29-27-17-21-31-25-15-9-7-13-23(25)27)2-4-6-12-20-30-28-18-22-32-26-16-10-8-14-24(26)28/h7-10,13-18,21-22H,1-6,11-12,19-20H2,(H,29,31)(H,30,32)"	""	""	""
"10719"	"C1-27"	""	"Synthetic organic"	""	""	""	""	"405067313"	"3860347"	""	""	"CHEMBL4210652"	""	""	""	""	"2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide"	""	"GSTO1-IN-1"	"ClCC(=O)Nc1ccc(c(c1)S(=O)(=O)N(C)C)Cl"	"YEHYODCKTNLFQU-UHFFFAOYSA-N"	"InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)"	"yes"	""	""
"9508"	"C12-iE-DAP"	""	"Peptide"	""	""	""	""	"329968447"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"13136"	"C-176"	""	"Synthetic organic"	""	""	""	""	"491299918"	"1103958"	""	""	"CHEMBL3593839"	""	""	""	""	"N-(4-iodophenyl)-5-nitrofuran-2-carboxamide"	""	"C-176 STING inhibitor"	"C1=CC(=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-])I"	"JBIKQXOZLBLMKI-UHFFFAOYSA-N"	"InChI=1S/C11H7IN2O4/c12-7-1-3-8(4-2-7)13-11(15)9-5-6-10(18-9)14(16)17/h1-6H,(H,13,15)"	"yes"	""	""
"5496"	"C1-BODIPY-C12"	""	"Synthetic organic"	""	""	""	""	"178102143"	"73755123"	""	""	""	""	""	""	""	""	""	"C1-Bodipy-C12"	"OC(=O)CCCCCCCCCCCC1CCC2=CC3[NH+]([B-](N12)(F)F)C(C)CC3"	"IRNYSPHCPBXXQD-UHFFFAOYSA-N"	"InChI=1S/C22H39BF2N2O2/c1-18-13-14-20-17-21-16-15-19(27(21)23(24,25)26(18)20)11-9-7-5-3-2-4-6-8-10-12-22(28)29/h17-20,26H,2-16H2,1H3,(H,28,29)"	""	""	""
"7037"	"C21"	""	"Peptide"	""	""	""	""	"178103616"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14011"	"C2230"	""	"Synthetic organic"	""	""	""	""	"518520638"	"5177797"	""	""	""	""	""	""	""	"1-(2-tert-butyl-4-methoxyphenoxy)-3-(cyclopentylamino)propan-2-ol"	""	""	"COC1=CC(=C(OCC(O)CNC2CCCC2)C=C1)C(C)(C)C"	"LGKZHIZKWDAFRJ-UHFFFAOYSA-N"	"InChI=1S/C19H31NO3/c1-19(2,3)17-11-16(22-4)9-10-18(17)23-13-15(21)12-20-14-7-5-6-8-14/h9-11,14-15,20-21H,5-8,12-13H2,1-4H3"	""	""	""
"1534"	"C2-NPY (pig)"	""	"Peptide"	""	""	""	""	"135652050"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1291"	"C3"	""	"Peptide"	""	""	""	""	"135652051"	"268"	""	""	""	""	""	""	""	"4-[2-[2-[3-acetamido-2-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-[[6-amino-1-[[1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid"	""	""	"NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)C)C)NC(=O)C(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(C1NC(=O)C)OP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1ccc(=O)[nH]c1=O)O)O)C)C)CCC(=O)O"	"QAXSYKNMKWGHOF-UHFFFAOYSA-N"	"InChI=1S/C40H65N9O26P2/c1-16(32(58)44-18(3)38(63)64)43-35(61)21(8-6-7-12-41)47-36(62)22(9-10-26(53)54)46-33(59)17(2)42-34(60)19(4)71-31-27(45-20(5)51)39(73-23(14-50)29(31)56)74-77(68,69)75-76(66,67)70-15-24-28(55)30(57)37(72-24)49-13-11-25(52)48-40(49)65/h11,13,16-19,21-24,27-31,37,39,50,55-57H,6-10,12,14-15,41H2,1-5H3,(H,42,60)(H,43,61)(H,44,58)(H,45,51)(H,46,59)(H,47,62)(H,53,54)(H,63,64)(H,66,67)(H,68,69)(H,48,52,65)"	""	""	""
"12981"	"C34 [Zhu <i>et al</i>., 2023]"	""	"Synthetic organic"	""	""	""	""	"485206102"	"168867731"	""	""	""	""	""	""	""	"1-(2-(Dimethylamino)ethyl)-N-(4-(2-(1-(ethylsulfonyl)piperidin-4-yl)-4-(4-fluorophenyl)thiazol-5-yl)pyrimidin-2-yl)-1H-indol-5-amine"	""	""	"FC1=CC=C(C2=C(C3=CC=NC(NC4=CC=C5N(CCN(C)C)C=CC5=C4)=N3)SC(C6CCN(S(=O)(CC)=O)CC6)=N2)C=C1"	"URSAVMMLTMTCOJ-UHFFFAOYSA-N"	"InChI=1S/C32H36FN7O2S2/c1-4-44(41,42)40-17-13-23(14-18-40)31-37-29(22-5-7-25(33)8-6-22)30(43-31)27-11-15-34-32(36-27)35-26-9-10-28-24(21-26)12-16-39(28)20-19-38(2)3/h5-12,15-16,21,23H,4,13-14,17-20H2,1-3H3,(H,34,35,36)"	""	""	""
"9570"	"C391"	""	"Synthetic organic"	""	""	""	""	"336446956"	"126970682"	""	""	""	""	""	""	""	""	""	"compound 5 [PMID: 27994760]"	"NCCCC[C@H](N1CC2N(CC1=O)C(=O)[C@H](CN2C(=O)c1ccco1)NC(=O)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CC(C)C"	"OHQDORKALTUSJJ-ZHLQKWORSA-N"	"InChI=1S/C38H53N7O10/c1-22(2)16-26(34(49)42-27(38(53)54)18-24-10-12-25(46)13-11-24)41-35(50)29(8-5-6-14-39)43-20-32-44(37(52)30-9-7-15-55-30)19-28(40-31(47)17-23(3)4)36(51)45(32)21-33(43)48/h7,9-13,15,22-23,26-29,32,46H,5-6,8,14,16-21,39H2,1-4H3,(H,40,47)(H,41,50)(H,42,49)(H,53,54)/t26-,27-,28-,29-,32?/m0/s1"	"yes"	""	""
"3640"	"C3a"	"Human"	"Peptide"	""	""	""	""	"135651638"	"0"	"P01024"	"ENSG00000125730"	""	""	""	""	""	""	""	"C3a anaphylatoxin|C3a anaphylatoxin polypeptide|complement component C3a"	""	""	""	""	""	""
"3641"	"C3a"	"Mouse"	"Peptide"	""	""	""	""	"135651640"	"0"	"P01027"	"ENSMUSG00000024164"	""	""	""	""	""	""	""	"C3a anaphylatoxin|complement component C3a"	""	""	""	""	""	""
"3642"	"C3a"	"Rat"	"Peptide"	""	""	""	""	"135651639"	"0"	""	"ENSRNOG00000046834"	""	""	""	""	""	""	""	"C3a anaphylatoxin|C3a anaphylatoxin polypeptide"	""	""	""	""	""	""
"5367"	"C3a des Arg"	"Human"	"Peptide"	""	""	""	""	"178102026"	"0"	"P01024"	"ENSG00000125730"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11252"	"C3a receptor agonist"	""	"Synthetic organic"	""	""	""	""	"434122312"	"44430519"	""	""	""	""	""	""	""	"2-cyclohexyl-2-phenyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide"	""	"compound 7 [PMID: 17459702]"	"O=C(N1CCC(CC1)NC(=O)C(c1ccccc1)C1CCCCC1)CCc1cccnc1"	"RMFOYNMWESQGBZ-UHFFFAOYSA-N"	"InChI=1S/C27H35N3O2/c31-25(14-13-21-8-7-17-28-20-21)30-18-15-24(16-19-30)29-27(32)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1,3-4,7-10,17,20,23-24,26H,2,5-6,11-16,18-19H2,(H,29,32)"	""	""	""
"13171"	"C3TD879"	""	"Synthetic organic"	""	""	""	""	"491299953"	"165404856"	""	""	""	""	""	""	""	""	""	"C3TD-879|compound 58 [PMID: 38330278]"	"N[C@@H](C(=O)NC1=CC(=C(C=C1)C2=C3C(=NC=C2)NC(=C3)C)C)CC(C)(C)C"	"ODOJVROSIRINJT-LJQANCHMSA-N"	"InChI=1S/C22H28N4O/c1-13-10-15(26-21(27)19(23)12-22(3,4)5)6-7-16(13)17-8-9-24-20-18(17)11-14(2)25-20/h6-11,19H,12,23H2,1-5H3,(H,24,25)(H,26,27)/t19-/m1/s1"	""	""	""
"6547"	"C4a"	"Human"	"Peptide"	""	""	""	""	"178103161"	"0"	"P0C0L4"	"ENSG00000244731"	""	""	""	""	""	""	""	"C3 and PZP-like alpha-2-macroglobulin domain-containing protein 2"	""	""	""	""	""	""
"14460"	"C4Pen"	""	"Peptide"	""	""	""	""	"528429781"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3577"	"C5a"	"Rat"	"Peptide"	""	""	""	""	"135651642"	"0"	"P08650"	"ENSRNOG00000018899"	""	""	""	""	""	""	""	"C5a anaphylatoxin|complement component C5a"	""	""	""	""	""	""
"573"	"C5a"	"Human"	"Peptide"	""	""	""	""	"135651643"	"0"	"P01031"	"ENSG00000106804"	""	""	""	""	""	""	""	"C5a anaphylatoxin|complement component C5a|human complement protein"	""	""	""	"yes"	""	""
"3576"	"C5a"	"Mouse"	"Peptide"	""	""	""	""	"135651641"	"0"	""	"ENSMUSG00000026874"	""	""	""	""	""	""	""	"C5a anaphylatoxin|complement component C5a"	""	""	""	""	""	""
"574"	"C5a des-Arg"	"Human"	"Peptide"	""	""	""	""	"178100215"	"0"	""	"ENSG00000106804"	""	""	""	""	""	""	""	"C5a des-Arg<sup>74</sup>"	""	""	""	""	""	""
"5768"	"C5a hexapeptide analogue"	""	"Peptide"	""	""	""	""	"178102393"	"0"	""	""	""	""	""	""	""	""	""	"Phe-Lys-Ala-dCha-Cha-dArg"	""	""	""	""	""	""
"11344"	"C5a<sup>pep</sup>"	""	"Peptide"	""	""	""	""	"440816713"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7004"	"C646"	""	"Synthetic organic"	""	""	""	""	"178103583"	"1285941"	""	""	"CHEMBL1797936"	""	""	""	""	"4-[(4Z)-4-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid"	""	""	"CC1=NN(C(=O)/C/1=C\c1ccc(o1)c1cc(C)c(cc1[N+](=O)[O-])C)c1ccc(cc1)C(=O)O"	"HEKJYZZSCQBJGB-UNOMPAQXSA-N"	"InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12-"	"yes"	""	""
"13817"	"C6-Quino"	""	"Synthetic organic"	""	""	""	""	"507750450"	"172879840"	""	""	""	""	""	""	""	"1-(3-((4bS,8R,8aS,15bR)-1,8a-dihydroxy-5,6,8,8a,9,15b-hexahydro-7H-4,8-methano-benzofuro[3,2-c]pyrido[3,4-b]acridin-7-yl)hexyl)guanidine"	""	""	"OC1=CC=C2C3=C1O[C@@H]4[C@@]35[C@@](CC=6C=C7C=CC=CC7=NC46)([C@H](N(CC5)C(CCNC(=N)N)CCC)C2)O"	"NNOQVDPTMMFENI-QDROEUSWSA-N"	"InChI=1S/C30H35N5O3/c1-2-5-20(10-12-33-28(31)32)35-13-11-29-24-18-8-9-22(36)26(24)38-27(29)25-19(16-30(29,37)23(35)15-18)14-17-6-3-4-7-21(17)34-25/h3-4,6-9,14,20,23,27,36-37H,2,5,10-13,15-16H2,1H3,(H4,31,32,33)/t20?,23-,27+,29+,30-/m1/s1"	""	""	""
"3861"	"C7"	""	"Peptide"	""	""	""	""	"178100700"	"155817463"	""	""	""	""	""	""	""	""	""	"galanin(1-13)spantide"	"CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)O"	"LMKCQJDUNDMDCV-IQXDOVLOSA-N"	"InChI=1S/C138H198N34O31/c1-72(2)54-95(159-121(186)96(55-73(3)4)160-124(189)99(60-80-41-43-84(175)44-42-80)154-114(180)69-150-117(182)77(11)152-130(195)106(71-173)168-128(193)104(64-112(143)178)165-122(187)98(57-75(7)8)166-134(199)116(78(12)174)169-129(194)101(153-113(179)65-140)61-81-66-147-88-33-19-16-30-85(81)88)118(183)151-70-115(181)170-51-25-38-107(170)131(196)158-94(37-24-50-146-138(144)145)136(201)172-53-27-40-109(172)133(198)157-93(36-22-23-49-139)135(200)171-52-26-39-108(171)132(197)156-92(46-48-111(142)177)119(184)155-91(45-47-110(141)176)120(185)163-102(62-82-67-148-89-34-20-17-31-86(82)89)127(192)162-100(59-79-28-14-13-15-29-79)125(190)164-103(63-83-68-149-90-35-21-18-32-87(83)90)126(191)161-97(56-74(5)6)123(188)167-105(137(202)203)58-76(9)10/h13-21,28-35,41-44,66-68,72-78,91-109,116,147-149,173-175H,22-27,36-40,45-65,69-71,139-140H2,1-12H3,(H2,141,176)(H2,142,177)(H2,143,178)(H,150,182)(H,151,183)(H,152,195)(H,153,179)(H,154,180)(H,155,184)(H,156,197)(H,157,198)(H,158,196)(H,159,186)(H,160,189)(H,161,191)(H,162,192)(H,163,185)(H,164,190)(H,165,187)(H,166,199)(H,167,188)(H,168,193)(H,169,194)(H,202,203)(H4,144,145,146)/t77-,78+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,116-/m0/s1"	""	""	""
"14225"	"CA200645"	""	"Synthetic organic"	""	""	"yes"	""	"521588865"	"168282759"	""	""	"CHEMBL5187736"	""	""	""	""	""	""	""	"CCCN1C2=C(NC(=N2)C3=CC=C(OCC(=O)NCCNC(=O)CCNC(=O)CCCCNC(=O)CCCCCNC(=O)COC4=CC=C(/C=C/C5=[N+]6C(C=C5)=CC7=CC=C(N7[B-]6(F)F)C8=CC=CS8)C=C4)C=C3)C(=O)N(CCC)C1=O"	"LYAYADHVKSFZEM-XMHGGMMESA-N"	"InChI=1S/C58H68BF2N11O9S/c1-3-34-69-56-54(57(78)70(35-4-2)58(69)79)67-55(68-56)41-17-25-46(26-18-41)81-39-53(77)66-33-32-65-51(75)28-31-64-50(74)13-7-9-30-62-49(73)12-6-5-8-29-63-52(76)38-80-45-23-15-40(16-24-45)14-19-42-20-21-43-37-44-22-27-47(48-11-10-36-82-48)72(44)59(60,61)71(42)43/h10-11,14-27,36-37H,3-9,12-13,28-35,38-39H2,1-2H3,(H,62,73)(H,63,76)(H,64,74)(H,65,75)(H,66,77)(H,67,68)/b19-14+"	""	""	""
"6532"	"CAA0225"	""	"Synthetic organic"	""	""	""	""	"178103146"	"50909779"	""	""	""	""	""	""	""	"(2S,3S)-2-N-[(1S)-1-(benzylcarbamoyl)-2-phenylethyl]-3-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2,3-dicarboxamide"	""	""	"O=C([C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)NCCc1ccc(cc1)O)NCc1ccccc1"	"ZMZQYVMNDRBKLO-SDHOMARFSA-N"	"InChI=1S/C28H29N3O5/c32-22-13-11-19(12-14-22)15-16-29-27(34)24-25(36-24)28(35)31-23(17-20-7-3-1-4-8-20)26(33)30-18-21-9-5-2-6-10-21/h1-14,23-25,32H,15-18H2,(H,29,34)(H,30,33)(H,31,35)/t23-,24-,25-/m0/s1"	""	""	""
"6798"	"cabazitaxel"	""	"Synthetic organic"	"yes"	""	""	""	"178103404"	"9854073"	""	""	"CHEMBL1201748"	""	""	""	""	""	"cabazitaxel"	"Jevanta&reg;|taxoid XRP6258|TXD 258|XRP-6258"	"CO[C@H]1C(=O)[C@]2(C)[C@@H](OC)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)OC(C)(C)C)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C"	"BMQGVNUXMIRLCK-OAGWZNDDSA-N"	"InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1"	""	""	""
"37"	"cabergoline"	""	"Synthetic organic"	"yes"	""	""	""	"135652674"	"54746"	""	""	"CHEMBL1201087"	""	""	""	""	"1-[3-(dimethylamino)propyl]-3-ethyl-1-{[(2R,4R,7R)-6-(prop-2-en-1-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraen-4-yl]carbonyl}urea"	"cabergoline"	"Cabaser&reg;|Caberlin&reg;"	"C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C"	"KORNTPPJEAJQIU-KJXAQDMKSA-N"	"InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1"	""	""	""
"9107"	"cabiralizumab"	""	"Antibody"	""	""	""	""	"315661192"	"0"	""	""	""	""	""	""	""	""	"cabiralizumab"	"BMS-986227|FPA-008|FPA008"	""	""	""	"yes"	""	""
"11386"	"cabotegravir"	""	"Synthetic organic"	"yes"	""	""	""	"440816755"	"54713659"	""	""	"CHEMBL2403238"	""	""	""	""	""	"cabotegravir"	"Apretude&reg;|CAB|Cabenuva&reg; (cabotegravir +  rilpivirine)|GSK-1265744|GSK1265744|GSK744|Vocabria&reg;"	"Fc1ccc(c(c1)F)CNC(=O)c1cn2C[C@H]3OC[C@@H](N3C(=O)c2c(c1=O)O)C"	"WCWSTNLSLKSJPK-LKFCYVNXSA-N"	"InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1"	""	""	""
"5887"	"cabozantinib"	""	"Synthetic organic"	"yes"	""	""	""	"178102511"	"25102847"	""	""	"CHEMBL2105717"	""	""	""	""	"N-(4-((6,7-Dimethoxyquinolin-4-yl)oxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide"	"cabozantinib"	"BMS907351|Cabometyx&reg;|Cometriq&reg;|XL-184|XL184"	"COc1cc2c(ccnc2cc1OC)Oc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F"	"ONIQOQHATWINJY-UHFFFAOYSA-N"	"InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)"	""	""	""
"4148"	"CACA"	""	"Synthetic organic"	""	""	""	""	"178100969"	"6603697"	""	""	"CHEMBL32307"	""	""	""	""	"(Z)-4-aminobut-2-enoic acid"	""	"4-aminocrotonic acid|<i>cis</i>-aminocrotonic acid"	"NC/C=C\C(=O)O"	"FMKJUUQOYOHLTF-UPHRSURJSA-N"	"InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1-"	""	""	""
"12257"	"CaCCinh-A01"	""	"Synthetic organic"	""	""	""	""	"473153845"	"2898877"	""	""	"CHEMBL4104747"	""	""	""	""	"6-tert-butyl-2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid"	""	"CaCC<sub>inh</sub>-A01"	"C(C)(C)(C)C1Cc2c(c(c(s2)NC(=O)c2occc2)C(=O)O)CC1"	"ACLUEOBQFRYTQS-UHFFFAOYSA-N"	"InChI=1S/C18H21NO4S/c1-18(2,3)10-6-7-11-13(9-10)24-16(14(11)17(21)22)19-15(20)12-5-4-8-23-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,20)(H,21,22)"	""	""	""
"10767"	"cadazolid"	""	"Synthetic organic"	""	""	""	""	"405560208"	"44242317"	""	""	"CHEMBL3707376"	""	""	""	""	"1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid"	"cadazolid"	"ACT-179811|ACT179811"	"OC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)OCC1(O)CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O"	"XWFCFMXQTBGXQW-GOSISDBHSA-N"	"InChI=1S/C29H29F2N3O8/c30-21-10-19-23(33(16-1-2-16)13-20(26(19)36)27(37)38)11-24(21)32-7-5-29(40,6-8-32)15-41-25-4-3-17(9-22(25)31)34-12-18(14-35)42-28(34)39/h3-4,9-11,13,16,18,35,40H,1-2,5-8,12,14-15H2,(H,37,38)/t18-/m1/s1"	""	""	"yes"
"14047"	"cadefrecitinib"	""	"Synthetic organic"	""	""	""	""	"518520674"	"138560421"	""	""	""	""	""	""	""	"4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile"	"cadefrecitinib"	"compound 9 [PMID: 38805213]|GLPG-3667|GLPG3667"	"CC1=CC(=NC=C1OC2=NC3=C(C(=C2)NC4=NN=C(C=C4)N5CCOCC5)N=CN3C)C#N"	"GXELZXDURVDKHP-UHFFFAOYSA-N"	"InChI=1S/C22H21N9O2/c1-14-9-15(11-23)24-12-17(14)33-20-10-16(21-22(27-20)30(2)13-25-21)26-18-3-4-19(29-28-18)31-5-7-32-8-6-31/h3-4,9-10,12-13H,5-8H2,1-2H3,(H,26,27,28)"	""	""	""
"12966"	"cadonilimab"	""	"Antibody"	"yes"	""	""	""	"485206087"	"0"	""	""	""	""	""	""	""	""	"cadonilimab"	"AK-104|AK104"	""	""	""	"yes"	""	""
"2445"	"cADPR"	""	"Metabolite"	""	""	""	""	"135651450"	"123847"	""	""	""	""	""	""	""	"(2R,3R,4S,5R,13R,14S,15R,16R)-3,4,8,10,14,15-hexahydroxy-24-imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8$l^{5},10$l^{5}-diphosphapentacyclo[18.3.1.1^{2,5}.1^{13,16}.0^{17,21}]hexacosa-18,20,22-triene-8,10-dione"	""	"cyclic ADP ribose"	"O[C@@H]1[C@H](O)[C@@H]2O[C@H]1n1cnc3c(c1=N)ncn3[C@@H]1O[C@H](COP(=O)(OP(=O)(OC2)O)O)[C@H]([C@H]1O)O"	"BQOHYSXSASDCEA-KEOHHSTQSA-N"	"InChI=1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H,25,26)(H,27,28)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1"	""	""	""
"14346"	"cadrofloxacin"	""	"Synthetic organic"	""	""	""	""	"523352138"	"189912"	""	""	"CHEMBL2110804"	""	""	""	""	"1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid"	"cadrofloxacin"	"caderofloxacin|CS-940"	"C[C@H]1CN(CCN1)C2=C(C=C3C(=C2OC(F)F)N(C=C(C3=O)C(=O)O)C4CC4)F"	"QBDBUKJBJJWZMG-VIFPVBQESA-N"	"InChI=1S/C19H20F3N3O4/c1-9-7-24(5-4-23-9)15-13(20)6-11-14(17(15)29-19(21)22)25(10-2-3-10)8-12(16(11)26)18(27)28/h6,8-10,19,23H,2-5,7H2,1H3,(H,27,28)/t9-/m0/s1"	""	""	"yes"
"5155"	"caffeic acid"	""	"Natural product"	""	""	""	""	"178101847"	"689043"	""	""	"CHEMBL145"	""	""	""	""	"(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid"	""	""	"OC(=O)/C=C/c1ccc(c(c1)O)O"	"QAIPRVGONGVQAS-DUXPYHPUSA-N"	"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+"	""	""	"yes"
"407"	"caffeine"	""	"Natural product"	"yes"	""	""	""	"135652675"	"2519"	""	""	"CHEMBL113"	""	""	""	""	"1,3,7-trimethylpurine-2,6-dione"	""	"Peyona&reg;"	"Cn1cnc2c1c(=O)n(C)c(=O)n2C"	"RYYVLZVUVIJVGH-UHFFFAOYSA-N"	"InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3"	""	""	""
"13768"	"cagrilintide"	""	"Peptide"	""	""	""	""	"507750401"	"171397054"	""	""	""	""	""	""	""	""	"cagrilintide"	"AM-833|AM833|analogue 23 [PMID: 34288673]|NN0174-0833"	"CC[C@H](C)[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](CC(=O)N)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@H](CC(=O)N)C(=O)N[C@H]([C@H](C)O)C(=O)N3CCC[C@@H]3C(=O)N)NC(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CNC=N6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@@H]8CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N8)[C@@H](C)O)C)[C@@H](C)O)CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O"	"LDERDVMBIYGIOI-IZVMHKDJSA-N"	"InChI=1S/C194H312N54O59S2/c1-19-100(10)151(184(298)233-128(78-98(6)7)189(303)248-75-49-60-137(248)190(304)247-74-48-59-136(247)182(296)243-155(107(17)255)187(301)232-127(86-143(201)262)173(287)238-150(99(8)9)183(297)210-88-146(265)218-129(90-249)176(290)230-126(85-142(200)261)175(289)244-156(108(18)256)191(305)246-73-46-57-134(246)157(202)271)239-181(295)135-58-47-72-245(135)147(266)89-211-161(275)120(79-109-50-36-34-37-51-109)225-171(285)123(82-139(197)258)228-172(286)124(83-140(198)259)229-177(291)130(91-250)235-178(292)131(92-251)234-170(284)122(81-111-87-207-95-212-111)227-164(278)114(56-45-71-209-194(205)206)221-168(282)119(77-97(4)5)224-169(283)121(80-110-52-38-35-39-53-110)226-166(280)116(65-68-149(269)270)219-158(272)101(11)213-167(281)118(76-96(2)3)223-163(277)113(55-44-70-208-193(203)204)220-165(279)115(63-66-138(196)257)222-186(300)153(105(15)253)240-159(273)102(12)214-179(293)132-93-308-309-94-133(180(294)231-125(84-141(199)260)174(288)242-152(104(14)252)185(299)215-103(13)160(274)241-154(106(16)254)188(302)237-132)236-162(276)112(54-42-43-69-195)216-145(264)67-64-117(192(306)307)217-144(263)61-40-32-30-28-26-24-22-20-21-23-25-27-29-31-33-41-62-148(267)268/h34-39,50-53,87,95-108,112-137,150-156,249-256H,19-33,40-49,54-86,88-94,195H2,1-18H3,(H2,196,257)(H2,197,258)(H2,198,259)(H2,199,260)(H2,200,261)(H2,201,262)(H2,202,271)(H,207,212)(H,210,297)(H,211,275)(H,213,281)(H,214,293)(H,215,299)(H,216,264)(H,217,263)(H,218,265)(H,219,272)(H,220,279)(H,221,282)(H,222,300)(H,223,277)(H,224,283)(H,225,285)(H,226,280)(H,227,278)(H,228,286)(H,229,291)(H,230,290)(H,231,294)(H,232,301)(H,233,298)(H,234,284)(H,235,292)(H,236,276)(H,237,302)(H,238,287)(H,239,295)(H,240,273)(H,241,274)(H,242,288)(H,243,296)(H,244,289)(H,267,268)(H,269,270)(H,306,307)(H4,203,204,208)(H4,205,206,209)/t100-,101+,102-,103-,104+,105+,106+,107-,108-,112-,113-,114-,115-,116-,117-,118+,119-,120-,121-,122-,123-,124-,125-,126+,127+,128+,129+,130-,131-,132-,133-,134+,135-,136+,137+,150+,151-,152-,153-,154-,155+,156+/m0/s1"	""	""	""
"6921"	"calcifediol"	""	"Metabolite"	"yes"	""	""	""	"178103503"	"5283731"	""	""	"CHEMBL1040"	""	""	""	""	"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol"	"calcifediol"	"25-hydroxyvitamin D<sub>3</sub>|calcidiol|Calderol|Ryaldee&reg;|U-32070E"	"O[C@H]1CCC(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C)/C1"	"JWUBBDSIWDLEOM-DTOXIADCSA-N"	"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1"	""	""	""
"2778"	"calcipotriol"	""	"Synthetic organic"	"yes"	""	""	""	"135650047"	"5288783"	""	""	"CHEMBL1200666"	""	""	""	""	"(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol"	"calcipotriol"	"calcipotriene|Calcitrene&reg;|Dovonex&reg;|MC903"	"O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1"	"LWQQLNNNIPYSNX-UROSTWAQSA-N"	"InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1"	""	""	""
"4149"	"calciseptine"	""	"Peptide"	""	""	""	""	"178100970"	"0"	"P22947"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3586"	"calcitonin"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651699"	"0"	"P01257|P70160"	"ENSMUSG00000030669|ENSRNOG00000011130"	""	""	""	""	""	""	""	"CT"	""	""	""	""	""	""
"685"	"calcitonin"	"Human"	"Peptide"	"yes"	""	""	""	"135651700"	"118984394"	"P01258"	"ENSG00000110680"	"CHEMBL1201614"	""	""	""	""	""	"calcitonin"	"CT|LS-173874|Miacalcin Nasal&reg;|thyrocalcitonin"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)C)C(C)C)[C@H](CC)C)C)[C@H](O)C)CCC(=O)N)Cc1ccccc1)[C@H](O)C)Cc1nc[nH]c1)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N1)[C@H](O)C)CO)CC(C)C)CC(=O)N)CCSC)CC(C)C)Cc1ccc(cc1)O)CCC(=O)N)CC(=O)O)Cc1ccccc1)CC(=O)N"	"LDVRMNJZLWXJPL-GXQFRRLTSA-N"	"InChI=1S/C151H226N40O45S3/c1-17-75(8)118(144(229)163-67-114(205)183-117(74(6)7)143(228)162-64-112(203)165-77(10)150(235)190-50-29-38-106(190)124(158)209)185-125(210)76(9)166-145(230)120(79(12)194)186-131(216)92(45-47-109(155)200)170-142(227)107-39-30-51-191(107)151(236)103(58-85-35-25-20-26-36-85)180-148(233)122(81(14)196)188-139(224)99(59-87-63-159-71-164-87)176-133(218)96(55-83-31-21-18-22-32-83)174-128(213)90(37-27-28-49-152)168-136(221)101(61-111(157)202)177-134(219)97(56-84-33-23-19-24-34-84)175-137(222)102(62-116(207)208)178-129(214)91(44-46-108(154)199)171-147(232)121(80(13)195)187-138(223)98(57-86-40-42-88(198)43-41-86)179-146(231)119(78(11)193)184-115(206)66-161-127(212)94(53-72(2)3)172-130(215)93(48-52-237-16)169-141(226)105-70-239-238-69-89(153)126(211)160-65-113(204)167-100(60-110(156)201)135(220)173-95(54-73(4)5)132(217)181-104(68-192)140(225)189-123(82(15)197)149(234)182-105/h18-26,31-36,40-43,63,71-82,89-107,117-123,192-198H,17,27-30,37-39,44-62,64-70,152-153H2,1-16H3,(H2,154,199)(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,209)(H,159,164)(H,160,211)(H,161,212)(H,162,228)(H,163,229)(H,165,203)(H,166,230)(H,167,204)(H,168,221)(H,169,226)(H,170,227)(H,171,232)(H,172,215)(H,173,220)(H,174,213)(H,175,222)(H,176,218)(H,177,219)(H,178,214)(H,179,231)(H,180,233)(H,181,217)(H,182,234)(H,183,205)(H,184,206)(H,185,210)(H,186,216)(H,187,223)(H,188,224)(H,189,225)(H,207,208)/t75-,76-,77-,78+,79+,80+,81+,82+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,117-,118-,119-,120-,121-,122-,123?/m0/s1"	""	""	""
"690"	"calcitonin-(8-32) (salmon)"	""	"Peptide"	""	""	""	""	"135652065"	"155817381"	""	""	""	""	""	""	""	""	"calcitonin"	"CT (8-32) (salmon)|CT-(8-32) (salmon)|salmon calcitonin (8-32)"	"CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O"	"TXYDMAIIBMZDGF-UDXYTFIASA-N"	"InChI=1S/C113H188N34O36S/c1-53(2)38-71(139-109(180)88(57(9)10)143-92(163)64(116)51-184)93(164)124-46-84(157)128-65(20-14-16-34-114)95(166)135-74(41-56(7)8)103(174)142-79(50-149)106(177)133-68(28-31-81(117)154)97(168)131-70(30-33-86(159)160)98(169)137-73(40-55(5)6)102(173)138-75(43-62-45-122-52-127-62)104(175)130-66(21-15-17-35-115)96(167)136-72(39-54(3)4)101(172)132-69(29-32-82(118)155)100(171)146-91(60(13)152)111(182)141-77(42-61-24-26-63(153)27-25-61)112(183)147-37-19-23-80(147)107(178)134-67(22-18-36-123-113(120)121)99(170)145-90(59(12)151)110(181)140-76(44-83(119)156)105(176)144-89(58(11)150)108(179)125-47-85(158)129-78(49-148)94(165)126-48-87(161)162/h24-27,45,52-60,64-80,88-91,148-153,184H,14-23,28-44,46-51,114-116H2,1-13H3,(H2,117,154)(H2,118,155)(H2,119,156)(H,122,127)(H,124,164)(H,125,179)(H,126,165)(H,128,157)(H,129,158)(H,130,175)(H,131,168)(H,132,172)(H,133,177)(H,134,178)(H,135,166)(H,136,167)(H,137,169)(H,138,173)(H,139,180)(H,140,181)(H,141,182)(H,142,174)(H,143,163)(H,144,176)(H,145,170)(H,146,171)(H,159,160)(H,161,162)(H4,120,121,123)/t58-,59-,60-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,88+,89+,90+,91+/m1/s1"	""	""	""
"6973"	"calcitonin (salmon)"	""	"Peptide"	"yes"	""	""	""	"178103552"	"155817456"	""	""	"CHEMBL1201661"	""	""	""	""	""	""	"CT (salmon)|Miacalcin&reg;"	"CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O"	"AZCMZZXDDMAXIT-VJVYQDLKSA-N"	"InChI=1S/C145H242N44O48S2/c1-65(2)45-86(175-139(232)110(70(11)12)183-136(229)99(63-239)181-142(235)114(74(16)197)187-135(228)98(61-193)180-129(222)90(49-69(9)10)172-131(224)92(52-104(151)202)174-134(227)96(59-191)178-117(210)79(148)62-238)118(211)158-55-106(204)162-80(25-18-20-40-146)120(213)169-89(48-68(7)8)128(221)179-97(60-192)133(226)167-83(34-37-102(149)200)122(215)165-85(36-39-109(207)208)123(216)171-88(47-67(5)6)127(220)173-91(51-77-54-156-64-161-77)130(223)164-81(26-19-21-41-147)121(214)170-87(46-66(3)4)126(219)166-84(35-38-103(150)201)125(218)186-113(73(15)196)141(234)177-94(50-76-30-32-78(199)33-31-76)143(236)189-44-24-29-101(189)137(230)168-82(27-22-42-157-145(154)155)124(217)185-112(72(14)195)140(233)176-93(53-105(152)203)132(225)184-111(71(13)194)138(231)160-56-107(205)163-95(58-190)119(212)159-57-108(206)182-115(75(17)198)144(237)188-43-23-28-100(188)116(153)209/h30-33,54,64-75,79-101,110-115,190-199,238-239H,18-29,34-53,55-63,146-148H2,1-17H3,(H2,149,200)(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,209)(H,156,161)(H,158,211)(H,159,212)(H,160,231)(H,162,204)(H,163,205)(H,164,223)(H,165,215)(H,166,219)(H,167,226)(H,168,230)(H,169,213)(H,170,214)(H,171,216)(H,172,224)(H,173,220)(H,174,227)(H,175,232)(H,176,233)(H,177,234)(H,178,210)(H,179,221)(H,180,222)(H,181,235)(H,182,206)(H,183,229)(H,184,225)(H,185,217)(H,186,218)(H,187,228)(H,207,208)(H4,154,155,157)/t71-,72-,73-,74-,75-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,110+,111+,112+,113+,114+,115+/m1/s1"	""	""	""
"2786"	"calcitriol-26,23-lactone"	""	"Metabolite"	""	""	""	""	"135651451"	"6438368"	""	""	""	""	""	""	""	"(3R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyloxolan-2-one"	""	"(23S,25R)-1&alpha;,25-(OH)2D3-26,23-lactone|1,25-dihydroxyvitamin D3-26,23-lactone|1,25-lactone"	"O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](C[C@@H]2OC(=O)[C@](C2)(C)O)C)C)/C1"	"WMYIVSWWSRCZFA-RWVJFQLJSA-N"	"InChI=1S/C27H40O5/c1-16(12-21-15-27(4,31)25(30)32-21)22-9-10-23-18(6-5-11-26(22,23)3)7-8-19-13-20(28)14-24(29)17(19)2/h7-8,16,20-24,28-29,31H,2,5-6,9-15H2,1,3-4H3/b18-7+,19-8-/t16-,20-,21+,22-,23+,24+,26-,27-/m1/s1"	""	""	""
"714"	"calhex 231"	""	"Synthetic organic"	""	""	""	""	"135650048"	"11849514"	""	""	""	""	""	""	""	"4-chloro-N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide"	""	"calhex-231"	"Clc1ccc(cc1)C(=O)N[C@H]1CCCC[C@@H]1N[C@@H](c1cccc2c1cccc2)C"	"YTFUQWWKTIWYEY-CQLNOVPUSA-N"	"InChI=1S/C25H27ClN2O/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)27-23-11-4-5-12-24(23)28-25(29)19-13-15-20(26)16-14-19/h2-3,6-10,13-17,23-24,27H,4-5,11-12H2,1H3,(H,28,29)/t17-,23+,24+/m1/s1"	""	""	""
"719"	"calindol"	""	"Synthetic organic"	""	""	""	""	"135650049"	"9882793"	""	""	"CHEMBL1801356"	""	""	""	""	"(1R)-N-(1H-indol-2-ylmethyl)-1-naphthalen-1-ylethanamine"	""	""	"C[C@H](c1cccc2c1cccc2)NCc1cc2c([nH]1)cccc2"	"JLPWXRZETODYFC-OAHLLOKOSA-N"	"InChI=1S/C21H20N2/c1-15(19-11-6-9-16-7-2-4-10-20(16)19)22-14-18-13-17-8-3-5-12-21(17)23-18/h2-13,15,22-23H,14H2,1H3/t15-/m1/s1"	""	""	""
"2351"	"calmodulin"	"Human"	"Peptide"	""	""	""	""	"135652052"	"0"	"P62158"	"ENSG00000143933|ENSG00000160014|ENSG00000198668"	""	""	""	""	""	""	""	"Ca<sup>2+</sup>/calmodulin|Ca<sup>2+</sup>/CaM|calcium-calmodulin|CaM"	""	""	""	""	""	""
"11643"	"calpeptin"	""	"Peptide"	""	""	""	""	"442878669"	"73364"	""	""	"CHEMBL92708"	""	""	""	""	"benzyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]pentan-2-yl]carbamate"	""	"benzylcarbonyl-Leu-nLeu-H|N-benzyloxycarbonyl-L-leucyl-L-norleucinal"	"CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1"	"PGGUOGKHUUUWAF-ROUUACIJSA-N"	"InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1"	""	""	""
"5156"	"calphostin C"	""	"Natural product"	""	""	""	""	"178101848"	"10930781"	""	""	""	""	""	""	""	"(2R)-1-{3,10-dihydroxy-12-[(2R)-2-[(4-hydroxyphenoxycarbonyl)oxy]propyl]-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydroperylen-1-yl}propan-2-yl benzoate"	""	""	"COC1=CC(=O)c2c3c1c1C(=CC(=O)c4c1c(c3c(c(c2O)OC)C[C@H](OC(=O)Oc1ccc(cc1)O)C)c(C[C@H](OC(=O)c1ccccc1)C)c(c4O)OC)OC"	"LSUTUUOITDQYNO-NHCUHLMSSA-N"	"InChI=1S/C44H38O14/c1-20(56-43(50)22-10-8-7-9-11-22)16-25-31-32-26(17-21(2)57-44(51)58-24-14-12-23(45)13-15-24)42(55-6)40(49)34-28(47)19-30(53-4)36(38(32)34)35-29(52-3)18-27(46)33(37(31)35)39(48)41(25)54-5/h7-15,18-21,45,48-49H,16-17H2,1-6H3/t20-,21-/m1/s1"	""	""	""
"13036"	"calpurbatug"	""	"Antibody"	""	""	""	""	"485206157"	"0"	""	""	""	""	""	""	""	""	"calpurbatug"	"TRL1068"	""	""	""	""	""	"yes"
"13083"	"calyculin A"	""	"Natural product"	""	""	""	""	"491299865"	"5311365"	""	""	"CHEMBL430266"	""	""	""	""	""	""	"(-)-calyculin A|hemicalyculin A"	"C[C@H]1[C@@H](C[C@@]2(C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)/C=C(\C)/C(=C/C=C/C(=C\C#N)/C)/C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1C/C=C/C3=COC(=N3)[C@@H](C)CCNC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O"	"FKAWLXNLHHIHLA-YCBIHMBMSA-N"	"InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20-,30-17+,32-24+/t31-,33+,34-,35-,37-,38-,39+,40-,41-,42+,43-,44-,45+,46-,50+/m0/s1"	""	""	""
"13506"	"cambritaxestat"	""	"Synthetic organic"	""	""	""	""	"500839916"	"122199235"	""	""	"CHEMBL3917975"	""	""	""	""	"N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide"	"cambritaxestat"	"compound 9v [PMID: 27780639]|CRT-0273750|CRT0273750|IOA-289"	"C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)CCC2=NC3=C(N2CC4=CC=C(C=C4)OC(F)(F)F)N=CC=C3"	"HXYXHSDYBDFOFO-INIZCTEOSA-N"	"InChI=1S/C25H22ClF3N4O2/c1-16(18-6-8-19(26)9-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-10-20(11-5-17)35-25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1"	"yes"	""	""
"4035"	"camicinal"	""	"Synthetic organic"	""	""	""	""	"178100860"	"15984937"	""	""	"CHEMBL489095"	""	""	""	""	"1-[4-[(3-fluorophenyl)amino]piperidin-1-yl]-2-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]ethanone"	"camicinal"	"GSK 962040|GSK962040"	"C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F"	"RZKDEGZIFSJVNA-IBGZPJMESA-N"	"InChI=1S/C25H33FN4O/c1-19-17-29(14-11-27-19)18-21-7-5-20(6-8-21)15-25(31)30-12-9-23(10-13-30)28-24-4-2-3-22(26)16-24/h2-8,16,19,23,27-28H,9-15,17-18H2,1H3/t19-/m0/s1"	""	""	""
"12716"	"camizestrant"	""	"Synthetic organic"	"yes"	""	""	""	"483123264"	"134453496"	""	""	"CHEMBL4650365"	""	""	""	""	"N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]pyridin-3-amine"	"camizestrant"	"AZ-14066724|AZ14066724|AZD-9833|AZD9833|compound 28 PMID: 32910656]|Etcamah&reg;"	"FCCCN1CC(C1)NC=2C=CC(=NC2)[C@@H]3C4=CC=C5NN=CC5=C4C[C@H](N3CC(F)(F)F)C"	"WDHOIABIERMLGY-CMJOXMDJSA-N"	"InChI=1S/C24H28F4N6/c1-15-9-19-18(4-6-21-20(19)11-30-32-21)23(34(15)14-24(26,27)28)22-5-3-16(10-29-22)31-17-12-33(13-17)8-2-7-25/h3-6,10-11,15,17,23,31H,2,7-9,12-14H2,1H3,(H,30,32)/t15-,23+/m1/s1"	""	""	""
"11232"	"camlipixant"	""	"Synthetic organic"	""	""	""	""	"434122292"	"76955630"	""	""	"CHEMBL5095035"	""	""	""	""	"methyl (2S)-2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate"	"camlipixant"	"BLU-5937|BLU5937|NEO5937|P2X3 antagonist 34"	"CC1=CC2=NC(=C(N2C=C1)C[C@H]3CN(CCO3)C(=O)OC)C4=C(C=C(C=C4F)C(=O)NC)F"	"SEHLMRJSQFAPCJ-HNNXBMFYSA-N"	"InChI=1S/C23H24F2N4O4/c1-13-4-5-29-18(11-15-12-28(6-7-33-15)23(31)32-3)21(27-19(29)8-13)20-16(24)9-14(10-17(20)25)22(30)26-2/h4-5,8-10,15H,6-7,11-12H2,1-3H3,(H,26,30)/t15-/m0/s1"	""	""	""
"5157"	"camonagrel"	""	"Synthetic organic"	""	""	""	""	"178101849"	"65892"	""	""	"CHEMBL2104622"	""	""	""	""	"5-[2-(1H-imidazol-1-yl)ethoxy]-2,3-dihydro-1H-indene-1-carboxylic acid"	"camonagrel"	""	"OC(=O)C1CCc2c1ccc(c2)OCCn1cncc1"	"IRWWXLHSNMVHNY-UHFFFAOYSA-N"	"InChI=1S/C15H16N2O3/c18-15(19)14-3-1-11-9-12(2-4-13(11)14)20-8-7-17-6-5-16-10-17/h2,4-6,9-10,14H,1,3,7-8H2,(H,18,19)"	""	""	""
"12073"	"camonsertib"	""	"Synthetic organic"	""	""	""	""	"472319195"	"156487652"	""	""	""	""	""	""	""	"(1R,5S)-3-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-4-yl]-8-oxabicyclo[3.2.1]octan-3-ol"	"camonsertib"	"RP-3500|RP3500"	"C[C@@H]1COCCN1c1nc2c(cnn2c2ccn[nH]2)c(c1)C1(C[C@H]2CC[C@@H](C1)O2)O"	"YIHHYCIYAIVQKX-YNOVCBQDSA-N"	"InChI=1S/C21H26N6O3/c1-13-12-29-7-6-26(13)19-8-17(21(28)9-14-2-3-15(10-21)30-14)16-11-23-27(20(16)24-19)18-4-5-22-25-18/h4-5,8,11,13-15,28H,2-3,6-7,9-10,12H2,1H3,(H,22,25)/t13-,14-,15+,21?/m1/s1"	""	""	""
"6432"	"camostat"	""	"Synthetic organic"	"yes"	""	""	""	"178103048"	"2536"	""	""	"CHEMBL590799"	""	""	""	""	"[4-[2-(2-dimethylamino-2-oxoethoxy)-2-oxoethyl]phenyl] 4-(diaminomethylideneamino)benzoate"	"camostat"	"ONO-3403"	"CN(C(=O)COC(=O)Cc1ccc(cc1)OC(=O)c1ccc(cc1)N=C(N)N)C"	"XASIMHXSUQUHLV-UHFFFAOYSA-N"	"InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)"	""	""	""
"13187"	"camoteskimab"	""	"Antibody"	""	""	""	""	"491299969"	"0"	""	""	""	""	""	""	""	""	"camoteskimab"	"AEVI 007|AEVI-007|AVTX 007|AVTX-007|CERC 007|CERC-007|MEDI 2338"	""	""	""	"yes"	""	""
"2422"	"camphor"	""	"Natural product"	""	""	""	""	"135652676"	"2537"	""	""	"CHEMBL15768"	""	""	""	""	"1,7,7-trimethylbicyclo[2.2.1]heptan-2-one"	""	"2-bornanone|2-camphanone|bornan-2-one"	"O=C1CC2C(C1(C)CC2)(C)C"	"DSSYKIVIOFKYAU-UHFFFAOYSA-N"	"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3"	""	""	""
"9758"	"camrelizumab"	""	"Antibody"	"yes"	""	""	""	"354702231"	"0"	""	""	""	""	""	""	""	""	"camrelizumab"	"INCSHR1210|SHR-1210"	""	""	""	"yes"	""	""
"4582"	"canagliflozin"	""	"Synthetic organic"	"yes"	""	""	""	"178101303"	"24812758"	""	""	"CHEMBL2048484"	""	""	""	""	"(2S,3R,4R,5S,6R)-2-(3-{[5-(4-fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol"	"canagliflozin"	"Invokana&reg;|JNJ-28431754|TA-7284"	"OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc(s2)c2ccc(cc2)F)C)[C@@H]([C@H]([C@@H]1O)O)O"	"XTNGUQKDFGDXSJ-ZXGKGEBGSA-N"	"InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1"	""	""	""
"6773"	"canakinumab"	""	"Antibody"	"yes"	""	""	""	"178103379"	"0"	""	""	""	""	""	""	""	""	"canakinumab"	"ACZ 885|ACZ885|Ilaris&reg;"	""	""	""	"yes"	""	""
"587"	"candesartan"	""	"Synthetic organic"	"yes"	""	""	""	"135650050"	"2541"	""	""	"CHEMBL1016"	""	""	""	""	"2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid"	"candesartan"	"CV-11974|TCV-116 (prodrug)"	"CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O"	"HTQMVQVXFRQIKW-UHFFFAOYSA-N"	"InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)"	""	""	""
"8352"	"candesartan cilexetil"	""	"Synthetic organic"	""	""	""	""	"252166564"	"2540"	""	""	"CHEMBL1014"	""	""	""	""	"1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate"	""	""	"CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)OC(OC(=O)OC1CCCCC1)C"	"GHOSNRCGJFBJIB-UHFFFAOYSA-N"	"InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)"	""	""	""
"6492"	"candoxatril"	""	"Synthetic organic"	""	""	""	""	"178103106"	"5362417"	""	""	""	""	""	""	""	"cis-4-{[(1-{(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-[(2-methoxyethoxy)methyl]-3-oxopropyl}cyclopentyl)carbonyl]amino}cyclohexanecarboxylic acid"	"candoxatril"	""	"COCCOC[C@@H](C(=O)Oc1ccc2c(c1)CCC2)CC1(CCCC1)C(=O)N[C@@H]1CC[C@@H](CC1)C(=O)O"	"ZTWZVMIYIIVABD-OEMFJLHTSA-N"	"InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21-,23-,24+/m0/s1"	""	""	""
"6491"	"candoxatrilat"	""	"Synthetic organic"	""	""	""	""	"178103105"	"443380"	""	""	"CHEMBL434492"	""	""	""	""	"cis-4-[({1-[(2S)-2-carboxy-3-(2-methoxyethoxy)propyl]cyclopentyl}carbonyl)amino]cyclohexanecarboxylic acid"	"candoxatrilat"	"UK-69578"	"COCCOC[C@@H](C(=O)O)CC1(CCCC1)C(=O)N[C@@H]1CC[C@@H](CC1)C(=O)O"	"ACZWIDANLCXHBM-HRCADAONSA-N"	"InChI=1S/C20H33NO7/c1-27-10-11-28-13-15(18(24)25)12-20(8-2-3-9-20)19(26)21-16-6-4-14(5-7-16)17(22)23/h14-16H,2-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t14-,15-,16+/m0/s1"	""	""	""
"5675"	"canertinib"	""	"Synthetic organic"	""	""	""	""	"178102302"	"156414"	""	""	"CHEMBL31965"	""	""	""	""	"N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide"	"canertinib"	"CI 1033|CI-1033|PD 183805 dihydrochloride"	"C=CC(=O)Nc1cc2c(ncnc2cc1OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)F"	"OMZCMEYTWSXEPZ-UHFFFAOYSA-N"	"InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)"	"yes"	""	""
"4892"	"cANF<sup>4-23</sup>"	""	"Peptide"	""	""	""	""	"178101592"	"0"	""	""	""	""	""	""	""	""	""	"des[Gln<sup>18</sup>,Ser<sup>19</sup>,Gly<sup>20</sup>,Leu<sup>21</sup>,Gly<sup>22</sup>]ANP<sup>4ﾖ23</sup>-NH<sub>2</sub>"	""	""	""	""	""	""
"7568"	"cangitoxin II"	""	"Peptide"	""	""	""	""	"223365904"	"0"	"P0C7P9"	""	""	""	""	""	""	""	""	"cangitoxin-2|cangitoxin-II|CGTX-II"	""	""	""	""	""	""
"1776"	"cangrelor"	""	"Synthetic organic"	"yes"	""	""	""	"135650051"	"9854012"	""	""	"CHEMBL334966"	""	""	""	""	"[dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid"	"cangrelor"	"AR-C69931MX|ARL69931|Kengreal&reg;|Kengrexal&reg;"	"CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O"	"PAEBIVWUMLRPSK-IDTAVKCVSA-N"	"InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1"	""	""	""
"12865"	"canlitinib"	""	"Synthetic organic"	""	""	""	""	"485205986"	"139415233"	""	""	""	""	""	""	""	"6-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxyhexanoic acid"	""	"CX-1003|CX1003|Kanitinib"	"COC1=CC2=C(C=C1OCCCCCC(O)=O)N=CC=C2OC3=CC=C(NC(=O)C4(CC4)C(=O)NC5=CC=C(F)C=C5)C=C3F"	"PCKYITPVOLEZKL-UHFFFAOYSA-N"	"InChI=1S/C33H31F2N3O7/c1-43-28-18-23-25(19-29(28)44-16-4-2-3-5-30(39)40)36-15-12-26(23)45-27-11-10-22(17-24(27)35)38-32(42)33(13-14-33)31(41)37-21-8-6-20(34)7-9-21/h6-12,15,17-19H,2-5,13-14,16H2,1H3,(H,37,41)(H,38,42)(H,39,40)"	""	""	""
"11093"	"cannabichromene"	""	"Natural product"	""	""	""	""	"434122154"	"30219"	""	""	"CHEMBL422704"	""	""	""	""	"2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol"	""	"(+/-)-Cannabichromene|cannabichrome|CBC"	"CCCCCc1cc2OC(C)(CCC=C(C)C)C=Cc2c(c1)O"	"UVOLYTDXHDXWJU-UHFFFAOYSA-N"	"InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3"	""	""	""
"4150"	"cannabidiol"	""	"Natural product"	"yes"	""	""	""	"178100971"	"644019"	""	""	"CHEMBL190461"	""	""	""	""	"2-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl]-5-pentylbenzene-1,3-diol"	"cannabidiol"	"CBD|Epidiolex&reg;|GWP42003-P|nabiximols (CBD + THC, fixed-dose oral spray)|Sativex&reg; (CBD + THC, fixed-dose oral spray)"	"CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C"	"QHMBSVQNZZTUGM-ZWKOTPCHSA-N"	"InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1"	""	""	""
"10012"	"cannabidiol-dimethylheptyl (-)-CBD-DMH"	""	"Synthetic organic"	""	""	""	""	"375973202"	"126670"	""	""	""	""	""	""	""	"5-(2-methyloctan-2-yl)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol"	""	"(-)-5'-CBD-DMH|(-)-5'-DMH-CBD|1""',1'""-Dimethylheptylcannabidiol|5-(1,1-Dimethylheptyl)cannabidiol|DMH-CBD"	"CCCCCCC(c1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C)(C)C"	"MPJURNPNPDQYSY-LEWJYISDSA-N"	"InChI=1S/C25H38O2/c1-7-8-9-10-13-25(5,6)19-15-22(26)24(23(27)16-19)21-14-18(4)11-12-20(21)17(2)3/h14-16,20-21,26-27H,2,7-13H2,1,3-6H3/t20-,21+/m0/s1"	""	""	""
"10600"	"cannabidiolic acid"	""	"Synthetic organic"	""	""	""	""	"404859047"	"160570"	""	""	"CHEMBL498672"	""	""	""	""	"2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid"	""	"cannabidiol acid|CBDA"	"CCCCCc1cc(O)c(c(c1C(=O)O)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C"	"WVOLTBSCXRRQFR-DLBZAZTESA-N"	"InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1"	""	""	""
"11092"	"cannabidivarin"	""	"Natural product"	""	""	""	""	"434122153"	"45783233"	""	""	""	""	""	""	""	"2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol"	""	"CBDV|GWP42006"	"CCCc1cc(O)c(c(c1)O)[C@H]1C=C(C)CC[C@@H]1C(=C)C"	"REOZWEGFPHTFEI-CVEARBPZSA-N"	"InChI=1S/C19H26O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h9-11,15-16,20-21H,2,5-8H2,1,3-4H3/t15-,16+/m1/s1"	""	""	""
"11094"	"cannabigerol"	""	"Natural product"	""	""	""	""	"434122155"	"5315659"	""	""	"CHEMBL497318"	""	""	""	""	""	""	"CBG"	"CCCCCc1cc(O)c(c(c1)O)C/C=C(/CCC=C(C)C)\C"	"QXACEHWTBCFNSA-SFQUDFHCSA-N"	"InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+"	""	""	""
"13406"	"cannabigeroquinone"	""	"Natural product"	""	""	""	""	"496703376"	"53377584"	""	""	"CHEMBL4636830"	""	""	""	""	"2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxy-5-pentylcyclohexa-2,5-diene-1,4-dione"	""	"CBGQ|phytocannabinoid 14 [PMID: 38408345]|VCE-003"	"CCCCCC1=CC(=O)C(C/C=C(\C)/CCC=C(C)C)=C(O)C1=O"	"WQJZGZRGXVDCJN-FOWTUZBSSA-N"	"InChI=1S/C21H30O3/c1-5-6-7-11-17-14-19(22)18(21(24)20(17)23)13-12-16(4)10-8-9-15(2)3/h9,12,14,24H,5-8,10-11,13H2,1-4H3/b16-12+"	""	""	""
"740"	"cannabinol"	""	"Synthetic organic"	""	""	""	""	"135650052"	"2543"	""	""	"CHEMBL74415"	""	""	""	""	"6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol"	"cannabinol"	""	"CCCCCc1cc(O)c2c(c1)OC(c1c2cc(C)cc1)(C)C"	"VBGLYOIFKLUMQG-UHFFFAOYSA-N"	"InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3"	""	""	""
"12752"	"cannabinor"	""	"Synthetic organic"	""	""	""	""	"483123300"	"10174045"	""	""	"CHEMBL3234035"	""	""	""	""	"(E)-4-[2-[(1S,2S,5S)-6,6-dimethyl-4-oxo-2-bicyclo[3.1.1]heptanyl]-3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]-4-oxobut-2-enoic acid"	""	"PRS-211,375|PRS-211375"	"CC1([C@H]2C(C[C@@H]([C@@H]1C2)C3=C(OC(/C=C/C(=O)O)=O)C=C(C=C3O)C(C)(CCCCCC)C)=O)C"	"GSTZHANFXAKPSE-MXTREEOPSA-N"	"InChI=1S/C28H38O6/c1-6-7-8-9-12-27(2,3)17-13-22(30)26(23(14-17)34-25(33)11-10-24(31)32)18-15-21(29)20-16-19(18)28(20,4)5/h10-11,13-14,18-20,30H,6-9,12,15-16H2,1-5H3,(H,31,32)/b11-10+/t18-,19-,20+/m0/s1"	""	""	""
"13963"	"canrenone"	""	"Synthetic organic"	"yes"	""	""	""	"518520590"	"13789"	""	""	"CHEMBL1463345"	""	""	""	""	"(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione"	"canrenone"	"aldadiene|Luvion&reg;|Phanurane&reg;|SC-9376|SC9376"	"C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C"	"UJVLDDZCTMKXJK-WNHSNXHDSA-N"	"InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1"	""	""	""
"13081"	"cantharidin"	""	"Natural product"	"yes"	""	""	""	"491299863"	"5944"	""	""	"CHEMBL48449"	""	""	""	""	""	"cantharidin"	"Ycanth&reg; (0.7% solution, single-use topical applicator)"	"C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)OC2=O)C)O3"	"DHZBEENLJMYSHQ-XCVPVQRUSA-N"	"InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-"	""	""	""
"14179"	"canverixin"	""	"Synthetic organic"	""	""	""	""	"518520806"	"139360137"	""	""	"CHEMBL4782111"	""	""	""	""	"N-[(3S,4S)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide"	"canverixin"	"ACT-1004-1239|compound 28f [PMID: 33314938]"	"C1CN(C[C@@H]([C@H]1NC(=O)C2=NOC(=C2)C3=C(C=C(C=C3)F)F)C(=O)NC4(CC4)C5=NC=CC=N5)CC6CC6"	"IIDSHAJKXPUYSL-FPOVZHCZSA-N"	"InChI=1S/C27H28F2N6O3/c28-17-4-5-18(20(29)12-17)23-13-22(34-38-23)25(37)32-21-6-11-35(14-16-2-3-16)15-19(21)24(36)33-27(7-8-27)26-30-9-1-10-31-26/h1,4-5,9-10,12-13,16,19,21H,2-3,6-8,11,14-15H2,(H,32,37)(H,33,36)/t19-,21-/m0/s1"	""	""	""
"11221"	"capadenoson"	""	"Synthetic organic"	""	""	""	""	"434122281"	"9936489"	""	""	"CHEMBL3235279"	""	""	""	""	"2-amino-6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile"	"capadenoson"	"BAY 68-4986|BAY-68-4986|BAY684986"	"OCCOc1ccc(cc1)c1c(C#N)c(SCc2csc(n2)c2ccc(cc2)Cl)nc(c1C#N)N"	"CITWCLNVRIKQAF-UHFFFAOYSA-N"	"InChI=1S/C25H18ClN5O2S2/c26-17-5-1-16(2-6-17)24-30-18(13-34-24)14-35-25-21(12-28)22(20(11-27)23(29)31-25)15-3-7-19(8-4-15)33-10-9-32/h1-8,13,32H,9-10,14H2,(H2,29,31)"	""	""	""
"6799"	"capecitabine"	""	"Synthetic organic"	"yes"	""	""	""	"178103405"	"60953"	""	""	"CHEMBL1773"	""	""	""	""	"pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate"	"capecitabine"	"Ro-09-1978-000|Ro-091978000|Xeloda&reg;"	"CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C"	"GAGWJHPBXLXJQN-UORFTKCHSA-N"	"InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1"	""	""	""
"29"	"capeserod"	""	"Synthetic organic"	""	""	""	""	"135651059"	"9805719"	""	""	"CHEMBL2027925"	""	""	""	""	"5-(5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-one"	"capeserod"	"SL65.0155"	"Nc1c(Cl)cc(c2c1OCCO2)c1nn(c(=O)o1)C1CCN(CC1)CCc1ccccc1"	"MDBNTXARNGRHEV-UHFFFAOYSA-N"	"InChI=1S/C23H25ClN4O4/c24-18-14-17(20-21(19(18)25)31-13-12-30-20)22-26-28(23(29)32-22)16-7-10-27(11-8-16)9-6-15-4-2-1-3-5-15/h1-5,14,16H,6-13,25H2"	""	""	""
"7709"	"capivasertib"	""	"Synthetic organic"	"yes"	""	""	""	"223366042"	"25227436"	""	""	"CHEMBL2325741"	""	""	""	""	"4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide"	"capivasertib"	"AZD 5363|AZD-5363|AZD5363|cc-638|Truqap&reg;"	"OCC[C@@H](c1ccc(cc1)Cl)NC(=O)C1(N)CCN(CC1)c1ncnc2c1cc[nH]2"	"JDUBGYFRJFOXQC-KRWDZBQOSA-N"	"InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m0/s1"	""	""	""
"9123"	"caplacizumab"	""	"Antibody"	"yes"	""	""	""	"315661208"	"0"	""	""	""	""	""	""	""	""	"caplacizumab"	"ALX-0081|anti-vWF Nanobody|Cablivi&reg;|caplacizumab-yhdp"	""	""	""	""	""	""
"7904"	"capmatinib"	""	"Synthetic organic"	"yes"	""	""	""	"249565587"	"25145656"	""	""	"CHEMBL3188267"	""	""	""	""	"2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide"	"capmatinib"	"INC280|INCB28060|Tabrecta&reg;"	"CNC(=O)c1ccc(cc1F)c1cnc2n(n1)c(cn2)Cc1ccc2c(c1)cccn2"	"LIOLIMKSCNQPLV-UHFFFAOYSA-N"	"InChI=1S/C23H17FN6O/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20/h2-9,11-13H,10H2,1H3,(H,25,31)"	""	""	""
"13474"	"caprazamycin B"	""	"Natural product"	""	""	""	""	"500839884"	"9854993"	""	""	""	""	""	""	""	"2-[[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-1,4-dimethyl-6-[14-methyl-3-[3-methyl-5-oxo-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxypentanoyl]oxypentadecanoyl]oxy-3-oxo-1,4-diazepane-5-carboxylic acid"	""	""	"CC1C(C(C(C(O1)OC(=O)CC(C)CC(=O)OC(CCCCCCCCCCC(C)C)CC(=O)OC2CN(C(C(=O)N(C2C(=O)O)C)C(C3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)OC5C(C(C(O5)CN)O)O)C)OC)OC)OC"	"IDKBSYZJTHLMLI-UHFFFAOYSA-N"	"InChI=1S/C53H87N5O22/c1-27(2)18-16-14-12-10-11-13-15-17-19-30(75-34(60)22-28(3)23-35(61)78-52-47(73-9)46(72-8)43(71-7)29(4)74-52)24-36(62)76-32-26-56(5)38(48(67)57(6)37(32)50(68)69)44(80-51-42(66)39(63)31(25-54)77-51)45-40(64)41(65)49(79-45)58-21-20-33(59)55-53(58)70/h20-21,27-32,37-47,49,51-52,63-66H,10-19,22-26,54H2,1-9H3,(H,68,69)(H,55,59,70)"	""	""	"yes"
"13256"	"capreomycin IB"	""	"Natural product"	"yes"	""	""	""	"491300038"	"135483771"	""	""	""	""	""	""	""	"(3S)-3,6-diamino-N-[[(2S,5S,8E,11S,15S)-15-amino-11-[(4R)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-8-[(carbamoylamino)methylidene]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide"	"capreomycin"	"Capastat&reg;"	"C[C@H]1C(=O)N[C@H](C(=O)N/C(=C/NC(=O)N)/C(=O)N[C@H](C(=O)NC[C@@H](C(=O)N1)N)[C@H]2CCNC(=N2)N)CNC(=O)C[C@H](CCCN)N"	"FRXNXDHFQYZYNA-OJBVOROPSA-N"	"InChI=1S/C25H44N14O7/c1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11/h10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46)/b16-10+/t11-,12-,13-,14+,15-,18-/m0/s1"	""	""	"yes"
"6878"	"capromab"	""	"Antibody"	"yes"	""	""	""	"178103460"	"0"	""	""	""	""	""	""	""	""	"capromab"	"capromab pendetide|CYT-351|CYT-356|Indium In 111 capromab|ProstaScint&reg;"	""	""	""	""	""	""
"2486"	"capsaicin"	""	"Natural product"	"yes"	""	""	""	"53801090"	"1548943"	""	""	"CHEMBL294199"	""	""	""	""	"N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide"	"capsaicin"	"Qutenza&reg;"	"COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O"	"YKPUWZUDDOIDPM-SOFGYWHQSA-N"	"InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+"	""	""	""
"2461"	"capsazepine"	""	"Synthetic organic"	""	""	""	""	"135650053"	"2733484"	""	""	"CHEMBL391997"	""	""	""	""	"N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide"	""	""	"Clc1ccc(cc1)CCNC(=S)N1CCCc2c(C1)cc(O)c(c2)O"	"DRCMAZOSEIMCHM-UHFFFAOYSA-N"	"InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)"	""	""	""
"5158"	"captopril"	""	"Synthetic organic"	"yes"	""	""	""	"178101850"	"44093"	""	""	"CHEMBL1560"	""	""	""	""	"(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid"	"captopril"	"Capoten&reg;|SQ-14225"	"SC[C@H](C(=O)N1CCC[C@H]1C(=O)O)C"	"FAKRSMQSSFJEIM-RQJHMYQMSA-N"	"InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1"	""	""	""
"13471"	"capuramycin"	""	"Natural product"	""	""	""	""	"500839881"	"5487121"	""	""	"CHEMBL96695"	""	""	""	""	"(4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-4,5-dihydroxy-N-[(3S)-2-oxoazepan-3-yl]-5,6-dihydro-4H-pyran-2-carboxamide"	""	"A-500359 B|antibiotic 446-S3-1"	"CO[C@H]1[C@H]([C@@H](O[C@@H]1[C@H](C(=O)N)O[C@@H]2[C@H]([C@H](C=C(O2)C(=O)N[C@H]3CCCCNC3=O)O)O)N4C=CC(=O)NC4=O)O"	"BISOEENGZHMDEO-RLXIHFJVSA-N"	"InChI=1S/C23H31N5O12/c1-37-15-14(32)21(28-7-5-12(30)27-23(28)36)39-16(15)17(18(24)33)40-22-13(31)10(29)8-11(38-22)20(35)26-9-4-2-3-6-25-19(9)34/h5,7-10,13-17,21-22,29,31-32H,2-4,6H2,1H3,(H2,24,33)(H,25,34)(H,26,35)(H,27,30,36)/t9-,10-,13-,14+,15-,16-,17+,21+,22+/m0/s1"	""	""	"yes"
"569"	"carazolol"	""	"Synthetic organic"	"yes"	""	""	""	"135650054"	"71739"	""	""	"CHEMBL324665"	""	""	""	""	"1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol"	"carazolol"	"BM-51052|conducton|corazolol"	"OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C"	"BQXQGZPYHWWCEB-UHFFFAOYSA-N"	"InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3"	""	""	""
"298"	"carbachol"	""	"Synthetic organic"	"yes"	""	""	""	"135650055"	"2551"	""	""	"CHEMBL965"	""	""	""	""	"2-carbamoyloxyethyl-trimethylazanium"	"carbachol"	"Carbastat&reg;|Carboptic&reg;"	"NC(=O)OCC[N+](C)(C)C"	"VPJXQGSRWJZDOB-UHFFFAOYSA-O"	"InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1"	""	""	""
"1893"	"carbacyclin"	""	"Synthetic organic"	""	""	""	""	"135650056"	"5311242"	""	""	"CHEMBL148319"	""	""	""	""	"(5Z)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid"	""	"carboprostacyclin"	"CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O"	"XZFRIPGNUQRGPI-WLPVIMDJSA-N"	"InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,10-11,16-20,22-23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b11-10+,15-7-/t16-,17-,18+,19-,20+/m0/s1"	""	""	""
"5339"	"carbamazepine"	""	"Synthetic organic"	"yes"	""	""	""	"178102003"	"2554"	""	""	"CHEMBL108"	""	""	""	""	"benzo[b][1]benzazepine-11-carboxamide"	"carbamazepine"	"calepsin|Carnexiv&reg;|Tegretol&reg;"	"NC(=O)N1c2ccccc2C=Cc2c1cccc2"	"FFGPTBGBLSHEPO-UHFFFAOYSA-N"	"InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)"	""	""	""
"10768"	"carbenicillin"	""	"Synthetic organic"	"yes"	""	""	""	"405560209"	"20824"	""	""	"CHEMBL1214"	""	""	""	""	"(2S,5R,6R)-6-[(2-carboxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"carbenicillin"	"BRL-2064|BRL2064|carboxybenzylpenicillin|CBPC|CP 15639-2|CP-156392|Pyopen&reg;"	"O=C(C(c1ccccc1)C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C"	"FPPNZSSZRUTDAP-UWFZAAFLSA-N"	"InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1"	""	""	"yes"
"4151"	"carbenoxolone"	""	"Synthetic organic"	""	""	""	""	"178100972"	"636403"	""	""	"CHEMBL499915"	""	""	""	""	"(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(4-hydroxy-4-oxobutanoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid"	"carbenoxolone"	""	"O=C(O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C)CCC(=O)O"	"OBZHEBDUNPOCJG-WBXJDKIVSA-N"	"InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1"	""	""	""
"11169"	"carbetocin"	""	"Peptide"	"yes"	""	""	""	"434122229"	"16681432"	""	""	"CHEMBL3301668"	""	""	""	""	"(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-methoxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacycloicosane-3-carbonyl]pyrrolidine-2-carboxamide"	"carbetocin"	"Pabal&reg;"	"CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C"	"NSTRIRCPWQHTIA-DTRKZRJBSA-N"	"InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1"	""	""	""
"5159"	"carbidopa"	""	"Synthetic organic"	"yes"	""	""	""	"178101851"	"34359"	""	""	"CHEMBL1201236"	""	""	""	""	"(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid"	"carbidopa"	"Duodopa&reg;|Lodosyn&reg;|MK 486"	"NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C"	"TZFNLOMSOLWIDK-JTQLQIEISA-N"	"InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1"	""	""	""
"7139"	"carbinoxamine"	""	"Synthetic organic"	"yes"	""	""	""	"178103715"	"2564"	""	""	"CHEMBL864"	""	""	""	""	"{2-[(4-chlorophenyl)(pyridin-2-yl)methoxy]ethyl}dimethylamine"	"carbinoxamine"	"carbinoxamine maleate|Clistin&reg;"	"CN(CCOC(c1ccccn1)c1ccc(cc1)Cl)C"	"OJFSXZCBGQGRNV-UHFFFAOYSA-N"	"InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3"	""	""	""
"1970"	"carbocyclic thromboxane A2"	""	"Synthetic organic"	""	""	""	""	"135650139"	"5311387"	""	""	""	""	""	""	""	"(Z)-7-[(2S,3R)-3-[(E,3S)-3-hydroxyoct-1-enyl]-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid"	""	"9&alpha;,11&alpha;,11a-dicarba-TXA<sub>2</sub>|CTA-2|CTA<sub>2</sub>"	"CCCCC[C@@H](/C=C/[C@H]1CC2CC([C@@H]1C/C=C\CCCC(=O)O)C2)O"	"ZIWNJZLXPXFNGN-GXTQQWMXSA-N"	"InChI=1S/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17?,18-,19?,20-,21+/m0/s1"	""	""	""
"7624"	"carboplatin"	""	"Inorganic"	"yes"	""	""	""	"223365959"	"10339178"	""	""	"CHEMBL1351"	""	""	""	""	""	"carboplatin"	"JM-8|Paraplatin&reg;"	""	""	""	""	""	""
"4572"	"carboxyatractyloside"	""	"Natural product"	""	""	""	""	"178101293"	"20055804"	""	""	""	""	""	""	""	"(1R,4S,7S,9S,10S,13R,15S)-15-hydroxy-7-{[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-[(3-methylbutanoyl)oxy]-4,5-bis(sulfooxy)oxan-2-yl]oxy}-9-methyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5,5-dicarboxylic acid"	""	"CATR"	"OC[C@H]1O[C@@H](O[C@@H]2CC(C(=O)O)(C(=O)O)[C@@H]3[C@](C2)(C)[C@@H]2CC[C@@H]4C[C@@]2(CC3)[C@@H](O)C4=C)[C@@H]([C@H]([C@@H]1OS(=O)(=O)O)OS(=O)(=O)O)OC(=O)CC(C)C"	"AQFATIOBERWBDY-LNQSNDDKSA-N"	"InChI=1S/C31H46O18S2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/t16-,17+,18-,19+,20+,22-,23+,24-,25+,26-,29+,30-/m1/s1"	""	""	""
"4906"	"cardiotrophin-1"	"Human"	"Peptide"	""	""	""	""	"178101605"	"0"	"Q16619"	"ENSG00000150281"	""	""	""	""	""	""	""	"B-cell stimulatory factor 3|BSF3|CTF1"	""	""	""	""	""	""
"4895"	"cardiotrophin-like cytokine factor 1"	"Human"	"Peptide"	""	""	""	""	"178101595"	"0"	"Q9UBD9"	"ENSG00000175505"	""	""	""	""	""	""	""	"CLCF1"	""	""	""	""	""	""
"12288"	"carfecillin"	""	"Synthetic organic"	"yes"	""	""	""	"479821079"	"33672"	""	""	"CHEMBL1095283"	""	""	""	""	"(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[3-oxo-3-(phenoxy)-2-phenylpropanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"carfecillin"	"BRL 3475|carbenicillin phenyl|Uticillin&reg;"	"CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c1ccccc1)C(=O)Oc1ccccc1)C(=O)O)C"	"NZDASSHFKWDBBU-KVMCETHSSA-N"	"InChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29)/t15?,16-,17+,20-/m1/s1"	""	""	"yes"
"10040"	"carfentanil"	""	"Synthetic organic"	""	""	""	""	"375973228"	"62156"	""	""	"CHEMBL290429"	""	""	""	""	"methyl 1-(2-phenylethyl)-4-(phenyl-propanoylamino)piperidine-4-carboxylate"	"carfentanil"	"(4-methoxycarbonyl)fentanyl|carfentanyl|R 33,799|R-31833|R31833|Wildnil&reg;"	"CCC(=O)N(C1(CCN(CC1)CCc1ccccc1)C(=O)OC)c1ccccc1"	"YDSDEBIZUNNPOB-UHFFFAOYSA-N"	"InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3"	""	""	""
"7420"	"carfilzomib"	""	"Synthetic organic"	"yes"	""	""	""	"178103992"	"11556711"	""	""	"CHEMBL451887"	""	""	""	""	"(2S)-4-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanamide"	"carfilzomib"	"Kyprolis&reg;|PR-171"	"CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@]1(C)CO1)CC(C)C)Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN1CCOCC1)CCc1ccccc1)C"	"BLMPQMFVWMYDKT-NZTKNTHTSA-N"	"InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1"	""	""	""
"7458"	"carglumic acid"	""	"Synthetic organic"	"yes"	""	""	""	"187051761"	"121396"	""	""	"CHEMBL1201780"	""	""	""	""	"(2S)-2-(carbamoylamino)pentanedioic acid"	"carglumic acid"	"<i>N</i>-carbamylglutamate|Carbaglu&reg;|OE-312"	"OC(=O)CC[C@@H](C(=O)O)NC(=O)N"	"LCQLHJZYVOQKHU-VKHMYHEASA-N"	"InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1"	""	""	""
"12276"	"carindacillin"	""	"Synthetic organic"	"yes"	"yes"	""	""	"473153864"	"93184"	""	""	"CHEMBL1596"	""	""	""	""	"(2S,5R,6R)-6-[[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"carindacillin"	"carbenicillin indanyl|CP-15,464-2|CP-15464-2|Geocillin&reg;"	"CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c1ccccc1)C(=O)Oc1cc2c(CCC2)cc1)C(=O)O)C"	"JIRBAUWICKGBFE-MNRDOXJOSA-N"	"InChI=1S/C26H26N2O6S/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32)/t18?,19-,20+,23-/m1/s1"	""	""	"yes"
"7671"	"cariprazine"	""	"Synthetic organic"	"yes"	""	""	""	"223366006"	"11154555"	""	""	"CHEMBL2028019"	""	""	""	""	"3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea"	"cariprazine"	"Reagila&reg;|RGH 188|RGH-188|Vraylar&reg;"	"O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl"	"KPWSJANDNDDRMB-QAQDUYKDSA-N"	"InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-"	""	""	""
"7610"	"carisoprodol"	""	"Synthetic organic"	"yes"	""	""	""	"223365945"	"2576"	""	""	"CHEMBL1233"	""	""	""	""	"[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate"	"carisoprodol"	"Soma&reg;"	"CCCC(COC(=O)N)(COC(=O)NC(C)C)C"	"OFZCIYFFPZCNJE-UHFFFAOYSA-N"	"InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)"	""	""	""
"7582"	"carmoterol"	""	"Synthetic organic"	""	""	""	""	"223365917"	"63952"	""	""	"CHEMBL1094785"	""	""	""	""	"8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one"	"carmoterol"	""	"COc1ccc(cc1)C[C@H](NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O)C"	"IHOXNOQMRZISPV-YJYMSZOUSA-N"	"InChI=1S/C21H24N2O4/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26)/t13-,19+/m1/s1"	""	""	""
"6800"	"carmustine"	""	"Synthetic organic"	"yes"	""	""	""	"178103406"	"2578"	""	""	"CHEMBL513"	""	""	""	""	"1,3-bis(2-chloroethyl)-3-nitrosourea"	"carmustine"	"BiCNU&reg;|Carustine&reg;"	"ClCCNC(=O)N(CCCl)N=O"	"DLGOEMSEDOSKAD-UHFFFAOYSA-N"	"InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)"	""	""	""
"4559"	"carnosine"	""	"Metabolite"	""	""	""	""	"178101280"	"439224"	""	""	"CHEMBL242948"	""	""	""	""	"(2S)-2-(3-aminopropanamido)-3-(1H-imidazol-4-yl)propanoic acid"	""	"&beta;-alanyl-L-histidine|L-carnosine"	"NCCC(=O)N[C@H](C(=O)O)Cc1nc[nH]c1"	"CQOVPNPJLQNMDC-ZETCQYMHSA-N"	"InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1"	""	""	""
"10511"	"carotegrast"	""	"Synthetic organic"	""	""	""	""	"387065593"	"10120218"	""	""	""	""	""	""	""	"(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[6-(dimethylamino)-1-methyl-2,4-dioxoquinazolin-3-yl]phenyl]propanoic acid"	"carotegrast"	"HCA2969"	"CN(c1ccc2c(c1)c(=O)n(c(=O)n2C)c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c1c(Cl)cccc1Cl)C"	"YQKBOUPIOWUMTE-NRFANRHFSA-N"	"InChI=1S/C27H24Cl2N4O5/c1-31(2)17-11-12-22-18(14-17)25(35)33(27(38)32(22)3)16-9-7-15(8-10-16)13-21(26(36)37)30-24(34)23-19(28)5-4-6-20(23)29/h4-12,14,21H,13H2,1-3H3,(H,30,34)(H,36,37)/t21-/m0/s1"	"yes"	""	""
"10510"	"carotegrast methyl"	""	"Synthetic organic"	"yes"	""	""	""	"387065592"	"9872780"	""	""	""	""	""	""	""	""	"carotegrast"	"AJM-300|AJM300|Carogra&reg;"	"COC(=O)[C@@H](NC(=O)c1c(Cl)cccc1Cl)Cc1ccc(cc1)n1c(=O)c2cc(ccc2n(c1=O)C)N(C)C"	"MMHHPKCJJIFLBQ-QFIPXVFZSA-N"	"InChI=1S/C28H26Cl2N4O5/c1-32(2)18-12-13-23-19(15-18)26(36)34(28(38)33(23)3)17-10-8-16(9-11-17)14-22(27(37)39-4)31-25(35)24-20(29)6-5-7-21(24)30/h5-13,15,22H,14H2,1-4H3,(H,31,35)/t22-/m0/s1"	"yes"	""	""
"9098"	"carotuximab"	""	"Antibody"	""	""	""	""	"315661183"	"0"	""	""	""	""	""	""	""	""	"carotuximab"	"c-SN6j|TRC-105|TRC105"	""	""	""	""	""	""
"7140"	"carphenazine"	""	"Synthetic organic"	"yes"	""	""	""	"178103716"	"18104"	""	""	"CHEMBL1201328"	""	""	""	""	"1-(10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-10H-phenothiazin-2-yl)propan-1-one"	"carfenazine"	"Proketazine&reg;|WY-2445"	"OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(=O)CC"	"XZSMZRXAEFNJCU-UHFFFAOYSA-N"	"InChI=1S/C24H31N3O2S/c1-2-22(29)19-8-9-24-21(18-19)27(20-6-3-4-7-23(20)30-24)11-5-10-25-12-14-26(15-13-25)16-17-28/h3-4,6-9,18,28H,2,5,10-17H2,1H3"	""	""	""
"7141"	"carprofen"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103717"	"2581"	""	""	"CHEMBL1316"	""	""	""	""	"2-(6-chloro-9H-carbazol-2-yl)propanoic acid"	"carprofen"	"Ro-205720000"	"OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C"	"PUXBGTOOZJQSKH-UHFFFAOYSA-N"	"InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)"	"yes"	""	""
"13185"	"CART(55-102)"	"Human"	"Peptide"	""	""	""	""	"491299967"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7142"	"carteolol"	""	"Synthetic organic"	"yes"	""	""	""	"178103718"	"2583"	""	""	"CHEMBL839"	""	""	""	""	"5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydroquinolin-2-ol"	"carteolol"	"ABBOTT-43326|Cartrol&reg;|Ocupress&reg;|OPC-1085"	"OC(COc1cccc2c1CCC(=N2)O)CNC(C)(C)C"	"LWAFSWPYPHEXKX-UHFFFAOYSA-N"	"InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)"	""	""	""
"10571"	"CARTPT (76-96)"	"Human"	"Peptide"	""	""	""	""	"404859018"	"145996514"	""	""	""	""	""	""	""	""	""	""	"NCCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)CCCN=C(N)N)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccc(cc2)O)N)CCC(=O)N)CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)N)CCC(=O)O)C)C)CCCN=C(N)N"	"PNNVWALMJPZPKN-UNDUOMTFSA-N"	"InChI=1S/C93H153N31O28S3/c1-11-46(6)73(74(98)135)123-84(145)55(19-15-34-104-93(101)102)113-76(137)48(8)108-66(128)39-107-79(140)53(17-12-13-32-94)114-80(141)54(18-14-33-103-92(99)100)117-90(151)71(44(2)3)121-77(138)49(9)110-87(148)61-42-154-155-43-62(88(149)118-60(38-70(133)134)86(147)109-47(7)75(136)105-40-67(129)112-57(27-30-69(131)132)81(142)115-58(82(143)119-61)26-29-65(97)127)120-83(144)59(31-36-153-10)116-89(150)63-20-16-35-124(63)91(152)72(45(4)5)122-85(146)56(25-28-64(96)126)111-68(130)41-106-78(139)52(95)37-50-21-23-51(125)24-22-50/h21-24,44-49,52-63,71-73,125H,11-20,25-43,94-95H2,1-10H3,(H2,96,126)(H2,97,127)(H2,98,135)(H,105,136)(H,106,139)(H,107,140)(H,108,128)(H,109,147)(H,110,148)(H,111,130)(H,112,129)(H,113,137)(H,114,141)(H,115,142)(H,116,150)(H,117,151)(H,118,149)(H,119,143)(H,120,144)(H,121,138)(H,122,146)(H,123,145)(H,131,132)(H,133,134)(H4,99,100,103)(H4,101,102,104)/t46-,47-,48-,49-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,71-,72-,73-/m0/s1"	""	""	""
"12296"	"carumonam"	""	"Synthetic organic"	"yes"	""	""	""	"479821087"	"6540466"	""	""	"CHEMBL1614658"	""	""	""	""	"2-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-(carbamoyloxymethyl)-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxyacetic acid"	"carumonam"	"AMA-1080|Ro 17-2301"	"c1c(nc(s1)N)/C(=N/OCC(=O)O)/C(=O)N[C@H]1[C@H](N(C1=O)S(=O)(=O)O)COC(=O)N"	"UIMOJFJSJSIGLV-JNHMLNOCSA-N"	"InChI=1S/C12H14N6O10S2/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26)/b17-7-/t5-,8+/m1/s1"	""	""	"yes"
"2497"	"carvacrol"	""	"Natural product"	""	""	""	""	"53801081"	"10364"	""	""	"CHEMBL281202"	""	""	""	""	"2-methyl-5-propan-2-ylphenol"	""	""	"CC(c1ccc(c(c1)O)C)C"	"RECUKUPTGUEGMW-UHFFFAOYSA-N"	"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3"	""	""	""
"551"	"carvedilol"	""	"Synthetic organic"	"yes"	""	""	""	"135650057"	"2585"	""	""	"CHEMBL723"	""	""	""	""	"1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol"	"carvedilol"	"Coreg&reg;|DQ 2466|Eucardic&reg;|SKF 105517"	"COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O"	"OGHNVEJMJSYVRP-UHFFFAOYSA-N"	"InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3"	""	""	""
"6417"	"carveol"	""	"Natural product"	""	""	""	""	"178103033"	"7438"	""	""	"CHEMBL1385229"	""	""	""	""	"2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol"	""	"L-carveol"	"CC(=C)C1CC=C(C(C1)O)C"	"BAVONGHXFVOKBV-UHFFFAOYSA-N"	"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3"	""	""	""
"14186"	"CAS-010"	""	"Synthetic organic"	""	""	""	""	"518520813"	"176516536"	""	""	""	""	""	""	""	"3-amino-N-[2-(4-{8-azabicyclo[3.2.1]octan-3-yl}phenyl)ethyl]-6-propylthieno[2,3-b]pyridine-2-carboxamide"	""	""	"CCCC1=NC2=C(C=C1)C(N)=C(S2)C(=O)NCCC3=CC=C(C=C3)C4CC5CCC(C4)N5"	"RRZHXBAYYCRAGF-UHFFFAOYSA-N"	"InChI=1S/C26H32N4OS/c1-2-3-19-10-11-22-23(27)24(32-26(22)30-19)25(31)28-13-12-16-4-6-17(7-5-16)18-14-20-8-9-21(15-18)29-20/h4-7,10-11,18,20-21,29H,2-3,8-9,12-15,27H2,1H3,(H,28,31)"	""	""	""
"13981"	"casdatifan"	""	"Synthetic organic"	""	""	""	""	"518520608"	"156859185"	""	""	""	""	""	""	""	"(5R,6S,8R)-3,5,6-trifluoro-8-[(1S,2R)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile"	""	""	"CS(=O)(=O)C1=C2[C@@H]([C@@H](CC2=C(C=C1)[C@H]3C[C@@H]([C@@H](C4=CC(=CC(=C34)C#N)F)F)F)F)O"	"KHBHHNNBNHHGPE-QCCZFBHPSA-N"	"InChI=1S/C21H17F4NO3S/c1-30(28,29)17-3-2-11(13-7-16(24)21(27)19(13)17)12-6-15(23)20(25)14-5-10(22)4-9(8-26)18(12)14/h2-5,12,15-16,20-21,27H,6-7H2,1H3/t12-,15+,16-,20-,21-/m1/s1"	""	""	""
"5941"	"casein kinase II inhibitor III"	""	"Synthetic organic"	""	""	""	""	"178102564"	"16760346"	""	""	"CHEMBL270724"	""	""	""	""	"(2E)-3-(2,3,4,5-tetrabromophenyl)prop-2-enoic acid"	""	"TBCA|tetrabromocinnamic acid"	"OC(=O)/C=C/c1cc(Br)c(c(c1Br)Br)Br"	"SVJQCVOKYJWUBC-OWOJBTEDSA-N"	"InChI=1S/C9H4Br4O2/c10-5-3-4(1-2-6(14)15)7(11)9(13)8(5)12/h1-3H,(H,14,15)/b2-1+"	""	""	""
"11444"	"casimersen"	""	"Nucleic acid"	"yes"	""	""	""	"440816813"	"0"	""	""	"CHEMBL4297566"	""	""	""	""	""	"casimersen"	"Amondys 45&reg;|SRP-4045|SRP4045"	""	""	""	""	""	""
"11327"	"casirivimab"	""	"Antibody"	"yes"	""	""	""	"434321762"	"0"	""	""	""	""	""	""	""	""	"casirivimab"	"REGN-10933|Ronapreve&reg; (imdevimab + casirivimab)"	""	""	""	""	""	""
"5758"	"casopitant"	""	"Synthetic organic"	""	""	""	""	"178102383"	"9917021"	""	""	"CHEMBL1672054"	""	""	""	""	"(2R,4S)-4-(4-acetylpiperazin-1-yl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide"	"casopitant"	"GW679769|Rezonic (proposed trade name)|Zunrisa (proposed trade name)"	"Fc1ccc(c(c1)C)[C@H]1C[C@H](CCN1C(=O)N([C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C)N1CCN(CC1)C(=O)C"	"XGGTZCKQRWXCHW-WMTVXVAQSA-N"	"InChI=1S/C30H35F7N4O2/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3/t19-,25+,27-/m1/s1"	""	""	""
"10224"	"casoxin C"	""	"Peptide"	""	""	""	""	"381744906"	"25254550"	""	""	""	""	""	""	""	"L-tyrosyl-L-isoleucyl-L-prolyl-L-isoleucyl-L-glutaminyl-L-tyrosyl-L-valyl-L-leucyl-L-seryl-L-arginine"	""	""	"CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)CO)CC(C)C)C(C)C)Cc1ccc(cc1)O)CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1ccc(cc1)O)N)C"	"FLMZYYASMMUDFC-FJKDSYQFSA-N"	"InChI=1S/C60H94N14O15/c1-9-33(7)48(72-55(84)45-14-12-26-74(45)58(87)49(34(8)10-2)73-50(79)39(61)28-35-15-19-37(76)20-16-35)57(86)66-40(23-24-46(62)78)51(80)68-43(29-36-17-21-38(77)22-18-36)53(82)71-47(32(5)6)56(85)69-42(27-31(3)4)52(81)70-44(30-75)54(83)67-41(59(88)89)13-11-25-65-60(63)64/h15-22,31-34,39-45,47-49,75-77H,9-14,23-30,61H2,1-8H3,(H2,62,78)(H,66,86)(H,67,83)(H,68,80)(H,69,85)(H,70,81)(H,71,82)(H,72,84)(H,73,79)(H,88,89)(H4,63,64,65)/t33-,34-,39-,40-,41-,42-,43-,44-,45-,47-,48-,49-/m0/s1"	""	""	""
"8635"	"casp 4 inhib"	""	"Synthetic organic"	""	""	""	""	"252166835"	"515950"	""	""	"CHEMBL293622"	""	""	""	""	""	""	"1-methyl-5-nitro-isatin|5-nitro-isatin 1 [PMID: 11384246]"	"O=C1N(C)c2c(C1=O)cc(cc2)[N+](=O)[O-]"	"JPTDPTOWOMFBRY-UHFFFAOYSA-N"	"InChI=1S/C9H6N2O4/c1-10-7-3-2-5(11(14)15)4-6(7)8(12)9(10)13/h2-4H,1H3"	""	""	""
"707"	"Ca<sup>2+</sup>"	""	"Inorganic"	""	""	""	""	"135652731"	"0"	""	""	""	""	""	""	""	""	""	"calcium ion"	""	""	""	""	""	""
"13091"	"catechin"	""	"Natural product"	""	""	""	""	"491299873"	"9064"	""	""	"CHEMBL311498"	""	""	""	""	"(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol"	""	"(+)-catechin|catechol|cianidanol|D-Catechin"	"C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O"	"PFTAWBLQPZVEMU-DZGCQCFKSA-N"	"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1"	""	""	""
"9601"	"catequentinib"	""	"Synthetic organic"	"yes"	""	""	""	"340590231"	"25017411"	""	""	""	""	""	""	""	"1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine"	"catequentinib"	"AL-3818|AL3818|anlotinib"	"COc1cc2c(ccnc2cc1OCC1(N)CC1)Oc1ccc2c(c1F)cc([nH]2)C"	"KSMZEXLVHXZPEF-UHFFFAOYSA-N"	"InChI=1S/C23H22FN3O3/c1-13-9-15-16(27-13)3-4-19(22(15)24)30-18-5-8-26-17-11-21(20(28-2)10-14(17)18)29-12-23(25)6-7-23/h3-5,8-11,27H,6-7,12,25H2,1-2H3"	""	""	""
"3572"	"cathepsin G"	"Rat"	"Peptide"	""	""	""	""	"135651645"	"0"	"P17977"	"ENSRNOG00000020647"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3570"	"cathepsin G"	"Human"	"Peptide"	""	""	""	""	"135651646"	"0"	"P08311"	"ENSG00000100448"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3571"	"cathepsin G"	"Mouse"	"Peptide"	""	""	""	""	"135651644"	"0"	"P28293"	"ENSMUSG00000040314"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11002"	"cationomycin"	""	"Natural product"	""	""	""	""	"405560443"	"197223"	""	""	""	""	""	""	""	"2-hydroxy-4-[7-hydroxy-2-[(4S,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-5-[(1S)-1-hydroxypropyl]-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-4-methoxy-5-methyloxolan-2-yl]-2,3,8-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-methylbutanoic acid"	""	"BRN-6263205|BRN6263205|LS-52659|LS52659"	"COc1cc(C)c(c(c1)O)C(=O)OC(C(C(=O)O)(O)C)CC1OC2(CC(C1C)O)CC(C(O2)(C)C1C[C@@H]([C@@](O1)(C)[C@@H]1O[C@H](C[C@@H]1C)[C@H]1O[C@](C[C@@H]1C)(C)[C@H](CC)O)OC)C"	"SGLQOFJJLQBZBE-MSFHLGAUSA-N"	"InChI=1S/C45H70O15/c1-13-32(48)41(7)19-24(4)37(59-41)31-15-23(3)38(55-31)44(10)34(54-12)18-35(58-44)43(9)25(5)20-45(60-43)21-29(47)26(6)30(57-45)17-33(42(8,52)40(50)51)56-39(49)36-22(2)14-27(53-11)16-28(36)46/h14,16,23-26,29-35,37-38,46-48,52H,13,15,17-21H2,1-12H3,(H,50,51)/t23-,24-,25?,26?,29?,30?,31+,32-,33?,34-,35?,37-,38+,41-,42?,43?,44-,45?/m0/s1"	""	""	"yes"
"6487"	"CATPB"	""	"Synthetic organic"	""	""	""	""	"178103101"	"53308747"	""	""	""	""	""	""	""	"(3S)-3-[2-(3-chlorophenyl)acetamido]-4-[4-(trifluoromethyl)phenyl]butanoic acid"	""	""	"OC(=O)C[C@@H](NC(=O)Cc1cccc(c1)Cl)Cc1ccc(cc1)C(F)(F)F"	"QOSIJVVNNGXEKE-INIZCTEOSA-N"	"InChI=1S/C19H17ClF3NO3/c20-15-3-1-2-13(8-15)10-17(25)24-16(11-18(26)27)9-12-4-6-14(7-5-12)19(21,22)23/h1-8,16H,9-11H2,(H,24,25)(H,26,27)/t16-/m0/s1"	""	""	""
"7385"	"catumaxomab"	""	"Antibody"	"yes"	"yes"	""	""	"178103957"	"0"	""	""	"CHEMBL2108581"	""	""	""	""	""	"catumaxomab"	"Korjuny&reg;|L01XC09|Removab&reg;"	""	""	""	""	""	""
"1969"	"CAY10441"	""	"Synthetic organic"	""	""	""	""	"135650911"	"9839644"	""	""	"CHEMBL9540"	""	""	""	""	"N-[4-[(4-propan-2-yloxyphenyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine"	""	"CAY-10441|Ro-1138452|RO1138452"	"CC(Oc1ccc(cc1)Cc1ccc(cc1)NC1=NCCN1)C"	"GYYRMJMXXLJZAB-UHFFFAOYSA-N"	"InChI=1S/C19H23N3O/c1-14(2)23-18-9-5-16(6-10-18)13-15-3-7-17(8-4-15)22-19-20-11-12-21-19/h3-10,14H,11-13H2,1-2H3,(H2,20,21,22)"	""	""	""
"12994"	"CAY10499"	""	"Synthetic organic"	""	""	""	""	"485206115"	"9924775"	""	""	"CHEMBL570812"	""	""	""	""	"benzyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]carbamate"	""	"CAY-10499"	"CC1=C(C=CC(=C1)N2C(=O)OC(=N2)OC)NC(=O)OCC3=CC=CC=C3"	"QTENHWTVRQKWRI-UHFFFAOYSA-N"	"InChI=1S/C18H17N3O5/c1-12-10-14(21-18(23)26-17(20-21)24-2)8-9-15(12)19-16(22)25-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,22)"	""	""	""
"6161"	"CAY10583"	""	"Synthetic organic"	""	""	""	""	"178102782"	"51529932"	""	""	""	""	""	""	""	"2-{4-[(N-phenylpentanamido)methyl]phenyl}benzoic acid"	""	"CAY 10583|CAY-10583|compound A [PMID:15866883]"	"CCCCC(=O)N(c1ccccc1)Cc1ccc(cc1)c1ccccc1C(=O)O"	"IUJTVDNJFPZYBL-UHFFFAOYSA-N"	"InChI=1S/C25H25NO3/c1-2-3-13-24(27)26(21-9-5-4-6-10-21)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)25(28)29/h4-12,14-17H,2-3,13,18H2,1H3,(H,28,29)"	""	""	""
"10517"	"CB-103"	""	"Synthetic organic"	""	""	""	""	"387065599"	"2735289"	""	""	"CHEMBL1420319"	""	""	""	""	"6-(4-tert-butylphenoxy)pyridin-3-amine"	""	"CB103"	"Nc1ccc(nc1)Oc1ccc(cc1)C(C)(C)C"	"WHIWGRCYMQLLAO-UHFFFAOYSA-N"	"InChI=1S/C15H18N2O/c1-15(2,3)11-4-7-13(8-5-11)18-14-9-6-12(16)10-17-14/h4-10H,16H2,1-3H3"	""	""	""
"14306"	"CB-13"	""	"Synthetic organic"	""	""	""	""	"523352098"	"9799417"	""	""	"CHEMBL244403"	""	""	""	""	"naphthalen-1-yl-(4-pentoxynaphthalen-1-yl)methanone"	""	"CB13|CRA-13|CRA13|NVP-SAB378"	"CCCCCOC1=CC=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43"	"RSUMDJRTAFBISX-UHFFFAOYSA-N"	"InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3"	"yes"	""	""
"11003"	"CB-182804"	""	"Peptide"	""	""	""	""	"405560444"	"52918383"	""	""	""	""	""	""	""	"(2S,3R)-2-[[(2S)-4-amino-2-[(2-chlorophenyl)carbamoylamino]butanoyl]amino]-N-[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15S,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxybutanamide"	""	"CB-182,804|CB182804"	"NCC[C@@H](C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCN)Cc1ccccc1)CC(C)C)CCN)[C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)Nc1ccccc1Cl)CCN"	"OINMSSZOBLWDTB-SHGLBBHXSA-N"	"InChI=1S/C54H86ClN17O13/c1-28(2)26-40-50(81)64-34(14-20-56)44(75)63-37(17-23-59)48(79)71-42(29(3)73)52(83)61-25-19-39(47(78)62-35(15-21-57)46(77)68-41(51(82)67-40)27-31-10-6-5-7-11-31)65-45(76)36(16-22-58)66-53(84)43(30(4)74)72-49(80)38(18-24-60)70-54(85)69-33-13-9-8-12-32(33)55/h5-13,28-30,34-43,73-74H,14-27,56-60H2,1-4H3,(H,61,83)(H,62,78)(H,63,75)(H,64,81)(H,65,76)(H,66,84)(H,67,82)(H,68,77)(H,71,79)(H,72,80)(H2,69,70,85)/t29-,30-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+/m1/s1"	""	""	"yes"
"10038"	"CBA"	""	"Synthetic organic"	""	""	""	""	"375973226"	"2264067"	""	""	""	""	""	""	""	"4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid"	""	"compound 5 [PMID: 29579323]"	"O=C(Nc1cc(Cl)ccc1C(=O)O)COc1ccccc1Cl"	"CVQCJPCMPGKEDH-UHFFFAOYSA-N"	"InChI=1S/C15H11Cl2NO4/c16-9-5-6-10(15(20)21)12(7-9)18-14(19)8-22-13-4-2-1-3-11(13)17/h1-7H,8H2,(H,18,19)(H,20,21)"	""	""	""
"4593"	"CBDMB"	""	"Synthetic organic"	""	""	""	""	"178101314"	"136218971"	""	""	""	""	""	""	""	"3-amino-6-chloro-5-{[(4-chlorophenyl)methyl]amino}-N-[(1E)-{2-[(2,4-dimethylphenyl)methyl]hydrazin-1-yl}methylidene]pyrazine-2-carboxamide"	""	"CB-DMB"	"Clc1ccc(cc1)CNc1nc(N)c(nc1Cl)C(=O)/N=C/NNCc1ccc(cc1C)C"	"OTVLDNYCQTWHCT-UHFFFAOYSA-N"	"InChI=1S/C22H23Cl2N7O/c1-13-3-6-16(14(2)9-13)11-28-29-12-27-22(32)18-20(25)31-21(19(24)30-18)26-10-15-4-7-17(23)8-5-15/h3-9,12,28H,10-11H2,1-2H3,(H3,25,26,31)(H,27,29,32)"	""	""	""
"3372"	"CBiPES"	""	"Synthetic organic"	""	""	""	""	"178100395"	"9864510"	""	""	""	""	""	""	""	"N-[3-(4-cyanophenyl)phenyl]-N-(pyridin-3-ylmethyl)ethane-1-sulfonamide"	""	"LY-566332|LY566332"	"N#Cc1ccc(cc1)c1cccc(c1)N(S(=O)(=O)CC)Cc1cccnc1"	"HDVYXILCBYGKGU-UHFFFAOYSA-N"	"InChI=1S/C21H19N3O2S/c1-2-27(25,26)24(16-18-5-4-12-23-15-18)21-7-3-6-20(13-21)19-10-8-17(14-22)9-11-19/h3-13,15H,2,16H2,1H3"	""	""	""
"4152"	"CBIQ"	""	"Synthetic organic"	""	""	""	""	"178100973"	"11401613"	""	""	"CHEMBL1372588"	""	""	""	""	"4-chlorobenzo[f]isoquinoline"	""	""	"Clc1nccc2c1ccc1c2cccc1"	"SHQLTRRYZVBEMR-UHFFFAOYSA-N"	"InChI=1S/C13H8ClN/c14-13-12-6-5-9-3-1-2-4-10(9)11(12)7-8-15-13/h1-8H"	""	""	""
"7778"	"CBOBNEA"	""	"Synthetic organic"	""	""	""	""	"223366111"	"9957516"	""	""	"CHEMBL1094546"	""	""	""	""	"4-[4-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]phenyl]benzoic acid"	""	"carboxybiphenyloxy-butoxy-naphthalen-ethylacetamide"	"CC(=O)NCCc1cccc2c1cc(OCCCCOc1ccc(cc1)c1ccc(cc1)C(=O)O)cc2"	"VTMXSWVEWDJSKG-UHFFFAOYSA-N"	"InChI=1S/C31H31NO5/c1-22(33)32-18-17-26-6-4-5-25-13-16-29(21-30(25)26)37-20-3-2-19-36-28-14-11-24(12-15-28)23-7-9-27(10-8-23)31(34)35/h4-16,21H,2-3,17-20H2,1H3,(H,32,33)(H,34,35)"	""	""	""
"13245"	"CBPD-268"	""	"Synthetic organic"	""	""	""	""	"491300027"	"171037451"	""	""	""	""	""	""	""	""	""	"CBPD268|compound 33 [PMID: 38477974]"	"CC(N1CC2=C(N(N=C2N3CCCC4=C3C=C(C(C5=NN(C)C=C5)=C4)C(F)F)[C@H]6CC[C@H](CN7CC8=CC9=C(C=C8C7)C(N(C9=O)C%10CCC(NC%10=O)=O)=O)CC6)CC1)=O"	"ZAGZYDLBQICBCA-UUOOYTBASA-N"	"InChI=1S/C44H47F2N9O5/c1-24(56)52-15-12-36-34(23-52)41(53-13-3-4-26-16-30(35-11-14-50(2)48-35)31(40(45)46)19-38(26)53)49-55(36)29-7-5-25(6-8-29)20-51-21-27-17-32-33(18-28(27)22-51)44(60)54(43(32)59)37-9-10-39(57)47-42(37)58/h11,14,16-19,25,29,37,40H,3-10,12-13,15,20-23H2,1-2H3,(H,47,57,58)/t25-,29-,37?"	""	""	""
"13301"	"CBPD-409"	""	"Synthetic organic"	""	""	""	""	"496703271"	"171364440"	""	""	""	""	""	""	""	"5-(4-(((1r,4r)-4-(5-Acetyl-3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)cyclohexyl)methyl)piperazin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione"	""	"CBPD409|compound 25 [PMID: 38530938]"	"O=C1CCC(N2C(=O)C3=CC=C(C=C3C2=O)N4CCN(C[C@@H]5CC[C@H](CC5)N6N=C(N7CCCC8=C7C=C(C(C=9C=NN(C9)C)=C8)C(F)F)C%10=C6CCN(C%10)C(C)=O)CC4)C(N1)=O"	"CXJGNQXWKVPWMM-KEQSSBIPSA-N"	"InChI=1S/C46H52F2N10O5/c1-27(59)55-15-13-38-37(26-55)43(56-14-3-4-29-20-34(30-23-49-52(2)25-30)35(42(47)48)22-40(29)56)51-58(38)31-7-5-28(6-8-31)24-53-16-18-54(19-17-53)32-9-10-33-36(21-32)46(63)57(45(33)62)39-11-12-41(60)50-44(39)61/h9-10,20-23,25,28,31,39,42H,3-8,11-19,24,26H2,1-2H3,(H,50,60,61)/t28-,31-,39?"	""	""	""
"9610"	"CBS-3595"	""	"Synthetic organic"	""	""	""	""	"340590240"	"10450926"	""	""	"CHEMBL432798"	""	""	""	""	"N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-yl]acetamide"	""	""	"CSc1nc(c(n1C)c1ccnc(c1)NC(=O)C)c1ccc(cc1)F"	"CJKGORBZVWDVRY-UHFFFAOYSA-N"	"InChI=1S/C18H17FN4OS/c1-11(24)21-15-10-13(8-9-20-15)17-16(22-18(25-3)23(17)2)12-4-6-14(19)7-5-12/h4-10H,1-3H3,(H,20,21,24)"	"yes"	""	""
"11457"	"CC-401"	""	"Synthetic organic"	""	""	""	""	"440816826"	"10430360"	""	""	"CHEMBL1614713"	""	""	""	""	""	""	"CC401"	"C1CCN(CC1)CCOc1cccc(c1)c1n[nH]c2c1cc(cc2)c1[nH]cnn1"	"XDJCLCLBSGGNKS-UHFFFAOYSA-N"	"InChI=1S/C22H24N6O/c1-2-9-28(10-3-1)11-12-29-18-6-4-5-16(13-18)21-19-14-17(22-23-15-24-27-22)7-8-20(19)25-26-21/h4-8,13-15H,1-3,9-12H2,(H,25,26)(H,23,24,27)"	""	""	""
"9224"	"CC-885"	""	"Synthetic organic"	""	""	""	""	"340590211"	"24788636"	""	""	""	""	""	""	""	"3-(3-chloro-4-methylphenyl)-1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea"	""	""	"O=C(Nc1ccc(c(c1)Cl)C)NCc1ccc2c(c1)CN(C2=O)C1CCC(=O)NC1=O"	"DOEVCIHTTTYVCC-UHFFFAOYSA-N"	"InChI=1S/C22H21ClN4O4/c1-12-2-4-15(9-17(12)23)25-22(31)24-10-13-3-5-16-14(8-13)11-27(21(16)30)18-6-7-19(28)26-20(18)29/h2-5,8-9,18H,6-7,10-11H2,1H3,(H2,24,25,31)(H,26,28,29)"	"yes"	""	""
"11659"	"CC-90005"	""	"Synthetic organic"	""	""	""	""	"442878685"	"118162109"	""	""	""	""	""	""	""	"2-[[4-(2,2-difluoropropoxy)pyrimidin-5-yl]methylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile"	""	"CC90005|compound 57 [PMID: 34355886]"	"CC(F)(F)COc1c(CNc2nc(N[C@@H]3CC[C@H](O)C(C)(C)C3)c(cn2)C#N)cncn1"	"FMKGJQHNYMWDFJ-CVEARBPZSA-N"	"InChI=1S/C21H27F2N7O2/c1-20(2)6-15(4-5-16(20)31)29-17-13(7-24)9-26-19(30-17)27-10-14-8-25-12-28-18(14)32-11-21(3,22)23/h8-9,12,15-16,31H,4-6,10-11H2,1-3H3,(H2,26,27,29,30)/t15-,16+/m1/s1"	""	""	""
"11424"	"CC-90009"	""	"Synthetic organic"	""	""	""	""	"440816793"	"118647211"	""	""	""	""	""	""	""	"2-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoroacetamide"	""	"Cereblon modulator 1|Compound 1 [WO2019006299A1]|compound 16 [PMID: 33591756]"	"O=C1CCC(C(=O)N1)N1Cc2c(C1=O)ccc(c2)CNC(=O)C(c1ccc(cc1)Cl)(F)F"	"PWBHUSLMHZLGRN-UHFFFAOYSA-N"	"InChI=1S/C22H18ClF2N3O4/c23-15-4-2-14(3-5-15)22(24,25)21(32)26-10-12-1-6-16-13(9-12)11-28(20(16)31)17-7-8-18(29)27-19(17)30/h1-6,9,17H,7-8,10-11H2,(H,26,32)(H,27,29,30)"	""	""	""
"11284"	"CC-90011"	""	"Synthetic organic"	""	""	""	""	"434321719"	"118483201"	""	""	""	""	""	""	""	""	""	"CC90011|compound 11 [PMID: 33034194]"	"N#Cc1ccc(cc1F)c1nc(N2CCC(CC2)N)n(c(=O)c1c1ccc(c(c1)F)OC)C"	"NBAIXBAUHIQQGF-UHFFFAOYSA-N"	"InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3"	""	""	""
"11658"	"CCF981"	""	"Synthetic organic"	""	""	""	""	"442878684"	"156027237"	""	""	""	""	""	""	""	"N-[4-(1H-Imidazol-4-yl)phenyl]-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)acetamide"	""	"CCF0058981|compound 41 [PMID: 34347470]"	"Clc1cccc(c1)CN(C(=O)Cn1nnc2ccccc12)c1ccc(cc1)c1c[nH]cn1"	"NQTRFDLUODRJKC-UHFFFAOYSA-N"	"InChI=1S/C24H19ClN6O/c25-19-5-3-4-17(12-19)14-30(20-10-8-18(9-11-20)22-13-26-16-27-22)24(32)15-31-23-7-2-1-6-21(23)28-29-31/h1-13,16H,14-15H2,(H,26,27)"	""	""	""
"6764"	"CCG-100602"	""	"Synthetic organic"	""	""	""	""	"178103374"	"46190808"	""	""	"CHEMBL603141"	""	""	""	""	"[3,5-bis(trifluoromethyl)benzoyl]-N-(4-chlorophenyl)piperidine-3-carboxamide"	""	"CCG 100602|CCG100602|compound 4g [PMID: 19963382]"	"O=C(C1CCCN(C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)Nc1ccc(cc1)Cl"	"MOQCFMZWVKQBAP-UHFFFAOYSA-N"	"InChI=1S/C21H17ClF6N2O2/c22-16-3-5-17(6-4-16)29-18(31)12-2-1-7-30(11-12)19(32)13-8-14(20(23,24)25)10-15(9-13)21(26,27)28/h3-6,8-10,12H,1-2,7,11H2,(H,29,31)"	""	""	""
"6761"	"CCG-1423"	""	"Synthetic organic"	""	""	""	""	"178103371"	"2726015"	""	""	""	""	""	""	""	"N-[1-[(4-chlorophenyl)amino]-1-oxopropan-2-yl]oxy-3,5-bis(trifluoromethyl)benzamide"	""	"CCG 1423|CCG1423"	"O=C(C(ONC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)Nc1ccc(cc1)Cl"	"DSMXVSGJIDFLKP-UHFFFAOYSA-N"	"InChI=1S/C18H13ClF6N2O3/c1-9(15(28)26-14-4-2-13(19)3-5-14)30-27-16(29)10-6-11(17(20,21)22)8-12(7-10)18(23,24)25/h2-9H,1H3,(H,26,28)(H,27,29)"	""	""	""
"8034"	"CCG-203920"	""	"Synthetic organic"	""	""	""	""	"249565714"	"57330144"	""	""	"CHEMBL2037369"	""	""	""	""	"2-ethyl-4-(2-methoxyethyl)-1,2,4-thiadiazolidine-3,5-dione"	""	"CCG203920|RGS4 inhibitor 13"	"COCCn1c(=O)sn(c1=O)CC"	"NCTIMJFWDQCLDW-UHFFFAOYSA-N"	"InChI=1S/C7H12N2O3S/c1-3-9-6(10)8(4-5-12-2)7(11)13-9/h3-5H2,1-2H3"	""	""	""
"6763"	"CCG-203971"	""	"Synthetic organic"	""	""	""	""	"178103373"	"71681561"	""	""	"CHEMBL2398678"	""	""	""	""	"N-(4-chlorophenyl)-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide"	""	"CCG 203971|CCG203971|compound 8a [PMID: 23707258]"	"Clc1ccc(cc1)NC(=O)C1CCCN(C1)C(=O)c1cccc(c1)c1ccco1"	"HERLZBNILRVHQN-UHFFFAOYSA-N"	"InChI=1S/C23H21ClN2O3/c24-19-8-10-20(11-9-19)25-22(27)18-6-2-12-26(15-18)23(28)17-5-1-4-16(14-17)21-7-3-13-29-21/h1,3-5,7-11,13-14,18H,2,6,12,15H2,(H,25,27)"	""	""	""
"10946"	"CCG258747"	""	"Synthetic organic"	""	""	""	""	"405560387"	"146019255"	""	""	""	""	""	""	""	"5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluoro-N-(2H-indazol-3-ylmethyl)benzamide"	""	""	"O=C(c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2c(c1)OCO2)NCc1[nH]nc2c1cccc2"	"KGSBEYKVWODBRD-ICSRJNTNSA-N"	"InChI=1S/C28H27FN4O4/c29-23-7-5-17(11-22(23)28(34)31-14-25-21-3-1-2-4-24(21)32-33-25)20-9-10-30-13-18(20)15-35-19-6-8-26-27(12-19)37-16-36-26/h1-8,11-12,18,20,30H,9-10,13-16H2,(H,31,34)(H,32,33)/t18-,20-/m0/s1"	""	""	""
"8721"	"CCG-4986"	""	"Synthetic organic"	""	""	""	""	"252827379"	"5506256"	""	""	""	""	""	""	""	"(NE)-4-chloro-N-[methoxy-(4-nitrophenyl)-$l^{4}-sulfanylidene]benzenesulfonamide"	""	"compound 1"	"CO/S(=N/S(=O)(=O)c1ccc(cc1)Cl)/c1ccc(cc1)[N+](=O)[O-]"	"GIFNUYPIOIDEGE-UHFFFAOYSA-N"	"InChI=1S/C13H11ClN2O5S2/c1-21-22(12-6-4-11(5-7-12)16(17)18)15-23(19,20)13-8-2-10(14)3-9-13/h2-9H,1H3"	""	""	""
"7784"	"CCG-50014"	""	"Synthetic organic"	""	""	""	""	"249565573"	"2733079"	""	""	"CHEMBL1917204"	""	""	""	""	"4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione"	""	"CCG 50014|CCG50014|compound 1a"	"Cc1ccc(cc1)n1sc(=O)n(c1=O)Cc1ccc(cc1)F"	"QUIIIYITNGOFEI-UHFFFAOYSA-N"	"InChI=1S/C16H13FN2O2S/c1-11-2-8-14(9-3-11)19-15(20)18(16(21)22-19)10-12-4-6-13(17)7-5-12/h2-9H,10H2,1H3"	""	""	""
"8724"	"CCG-63802"	""	"Synthetic organic"	""	""	""	""	"252827382"	"6057678"	""	""	"CHEMBL1476646"	""	""	""	""	"(E)-2-(1,3-benzothiazol-2-yl)-3-[9-methyl-2-(3-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile"	""	""	"N#C/C(=C\c1c(Oc2cccc(c2)C)nc2n(c1=O)cccc2C)/c1nc2c(s1)cccc2"	"VFSVKVQMZDJFQX-NBVRZTHBSA-N"	"InChI=1S/C26H18N4O2S/c1-16-7-5-9-19(13-16)32-24-20(26(31)30-12-6-8-17(2)23(30)29-24)14-18(15-27)25-28-21-10-3-4-11-22(21)33-25/h3-14H,1-2H3/b18-14+"	""	""	""
"8725"	"CCG-63808"	""	"Synthetic organic"	""	""	""	""	"252827383"	"5948316"	""	""	"CHEMBL1604848"	""	""	""	""	"(E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile"	""	""	"N#C/C(=C\c1c(Oc2ccc(cc2)F)nc2n(c1=O)cccc2C)/c1nc2c(s1)cccc2"	"IPZHFKHGSYRBNT-DTQAZKPQSA-N"	"InChI=1S/C25H15FN4O2S/c1-15-5-4-12-30-22(15)29-23(32-18-10-8-17(26)9-11-18)19(25(30)31)13-16(14-27)24-28-20-6-2-3-7-21(20)33-24/h2-13H,1H3/b16-13+"	""	""	""
"6762"	"CCG-977"	""	"Synthetic organic"	""	""	""	""	"178103372"	"2725689"	""	""	""	""	""	""	""	"N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]phenyl]-4-chlorobenzamide"	""	"CCG 977|CCG977"	"Clc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F"	"VBZKJHSBGYDJAN-UHFFFAOYSA-N"	"InChI=1S/C21H13ClF6N2O3S/c22-15-3-1-12(2-4-15)19(31)29-16-5-7-18(8-6-16)34(32,33)30-17-10-13(20(23,24)25)9-14(11-17)21(26,27)28/h1-11,30H,(H,29,31)"	""	""	""
"3550"	"CCK-33"	"Mouse"	"Peptide"	""	""	""	""	"135651649"	"0"	"P09240"	"ENSMUSG00000032532"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3551"	"CCK-33"	"Rat"	"Peptide"	""	""	""	""	"135651647"	"0"	"P01355"	"ENSRNOG00000019321"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"860"	"CCK-33"	"Human"	"Peptide"	""	""	""	""	"135651648"	"16129670"	"P06307"	"ENSG00000187094"	""	""	""	""	""	""	""	"CCRIS 3307|cholecystokinin 33"	"NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)Cc1c[nH]c2c1cccc2)CCSC)c1ccc(cc1)OS(=O)(=O)O)CC(=O)O)CCCNC(=N)N)CC(=O)O)CO)C(CC)C)CCCNC(=N)N)Cc1nc[nH]c1)CO)CC(=O)O)CC(C)C)CC(=O)N)CCC(=O)N)CC(C)C)CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCCCN)N)C)CO)CCCNC(=N)N)CCSC)CO"	"QFLBZJPOIZFFJQ-UHFFFAOYSA-N"	"InChI=1S/C166H261N51O52S4/c1-15-84(9)130(159(261)211-116(78-220)154(256)206-110(68-125(227)228)150(252)191-97(38-27-54-182-165(176)177)139(241)205-112(70-127(231)232)152(254)215-132(88-42-44-91(45-43-88)269-273(266,267)268)161(263)197-100(48-58-270-12)135(237)185-75-124(226)190-106(64-89-72-184-94-35-21-20-33-92(89)94)146(248)195-101(49-59-271-13)141(243)204-111(69-126(229)230)151(253)198-103(133(173)235)63-87-31-18-17-19-32-87)213-143(245)98(39-28-55-183-166(178)179)192-147(249)107(65-90-73-180-80-187-90)201-153(255)115(77-219)210-157(259)119-41-30-57-217(119)163(265)113(71-128(233)234)207-145(247)105(62-82(5)6)200-149(251)109(67-122(172)224)203-140(242)99(46-47-120(170)222)193-144(246)104(61-81(3)4)199-148(250)108(66-121(171)223)202-138(240)96(36-23-25-52-168)196-158(260)129(83(7)8)212-160(262)131(85(10)16-2)214-155(257)117(79-221)208-142(244)102(50-60-272-14)194-137(239)95(37-26-53-181-164(174)175)189-123(225)74-186-136(238)114(76-218)209-156(258)118-40-29-56-216(118)162(264)86(11)188-134(236)93(169)34-22-24-51-167/h17-21,31-33,35,42-45,72-73,80-86,93,95-119,129-132,184,218-221H,15-16,22-30,34,36-41,46-71,74-79,167-169H2,1-14H3,(H2,170,222)(H2,171,223)(H2,172,224)(H2,173,235)(H,180,187)(H,185,237)(H,186,238)(H,188,236)(H,189,225)(H,190,226)(H,191,252)(H,192,249)(H,193,246)(H,194,239)(H,195,248)(H,196,260)(H,197,263)(H,198,253)(H,199,250)(H,200,251)(H,201,255)(H,202,240)(H,203,242)(H,204,243)(H,205,241)(H,206,256)(H,207,247)(H,208,244)(H,209,258)(H,210,259)(H,211,261)(H,212,262)(H,213,245)(H,214,257)(H,215,254)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H4,174,175,181)(H4,176,177,182)(H4,178,179,183)(H,266,267,268)"	""	""	""
"10221"	"CCK-39"	"Human"	"Peptide"	""	""	""	""	"381744903"	"0"	"P06307"	"ENSG00000187094"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"861"	"CCK-4"	"Human"	"Peptide"	""	""	""	""	"135651650"	"4329839"	"P06307"	"ENSG00000187094"	""	""	""	""	""	"3-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid"	""	"cholecystokinin fragment 30-33 amide|tetragastrin"	"CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N"	"RGYLYUZOGHTBRF-UHFFFAOYSA-N"	"InChI=1S/C29H36N6O6S/c1-42-12-11-22(33-27(39)20(30)14-18-16-32-21-10-6-5-9-19(18)21)28(40)35-24(15-25(36)37)29(41)34-23(26(31)38)13-17-7-3-2-4-8-17/h2-10,16,20,22-24,32H,11-15,30H2,1H3,(H2,31,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)"	""	""	""
"3553"	"CCK-58"	"Mouse"	"Peptide"	""	""	""	""	"178100521"	"0"	"P09240"	"ENSMUSG00000032532"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"862"	"CCK-58"	"Dog"	"Peptide"	""	""	""	""	"135652053"	"0"	"Q9TS44"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3552"	"CCK-58"	"Human"	"Peptide"	""	""	""	""	"178100520"	"0"	"P06307"	"ENSG00000187094"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3554"	"CCK-58"	"Rat"	"Peptide"	""	""	""	""	"178100522"	"0"	"P01355"	"ENSRNOG00000019321"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"864"	"CCK-8"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651651"	"9833444"	"P06307|P01355|P09240"	"ENSMUSG00000032532|ENSG00000187094|ENSRNOG00000019321"	"CHEMBL1121"	""	""	""	""	"(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid"	"sincalide"	"CCK-8 (sulphated)|cholecystokinin 8|cholecystokinin fragment 26-33 amide (sulphated)"	"CSCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccc(cc1)OS(=O)(=O)O"	"IZTQOLKUZKXIRV-YRVFCXMDSA-N"	"InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1"	""	""	""
"812"	"CCL1"	"Human"	"Peptide"	""	""	""	""	"135651653"	"0"	"P22362"	"ENSG00000108702"	""	""	""	""	""	""	""	"I309|TCA-3"	""	""	""	"yes"	""	""
"4404"	"CCL1"	"Mouse"	"Peptide"	""	""	""	""	"135651652"	"0"	"P10146"	"ENSMUSG00000020702"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"787"	"CCL11"	"Mouse"	"Peptide"	""	""	""	""	"135651656"	"0"	"P48298"	"ENSMUSG00000020676"	""	""	""	""	""	""	""	"murine eotaxin"	""	""	""	"yes"	""	""
"769"	"CCL11"	"Human"	"Peptide"	""	""	""	""	"135651654"	"0"	"P51671"	"ENSG00000172156"	""	""	""	""	""	""	""	"eotaxin"	""	""	""	"yes"	""	""
"4416"	"CCL11"	"Rat"	"Peptide"	""	""	""	""	"135651655"	"0"	"P97545"	"ENSRNOG00000007335"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4435"	"CCL12"	"Mouse"	"Peptide"	""	""	""	""	"178101199"	"0"	"Q62401"	"ENSMUSG00000035352"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"770"	"CCL13"	"Human"	"Peptide"	""	""	""	""	"135651657"	"0"	"Q99616"	"ENSG00000181374"	""	""	""	""	""	""	""	"monocyte chemotactic protein-4"	""	""	""	"yes"	""	""
"753"	"CCL14"	"Human"	"Peptide"	""	""	""	""	"135651658"	"0"	"Q16627"	"ENSG00000276409"	""	""	""	""	""	""	""	"CCL14a|CK&beta;1|haemofiltrate CC chemokine 1 (HCC-1)|HCC-1(1-74)"	""	""	""	"yes"	""	""
"754"	"CCL15"	"Human"	"Peptide"	""	""	""	""	"135651659"	"0"	"Q16663"	"ENSG00000275718"	""	""	""	""	""	""	""	"Lkn-1 [Leukotactin-1]|macrophage inflammatory protein-1&delta;|MIP-1&delta;"	""	""	""	"yes"	""	""
"1272"	"CCL16"	"Human"	"Peptide"	""	""	""	""	"135651660"	"0"	"O15467"	"ENSG00000275152"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"797"	"CCL17"	"Human"	"Peptide"	""	""	""	""	"135651661"	"0"	"Q92583"	"ENSG00000102970"	""	""	""	""	""	""	""	"TARC|thymus- and activation-regulated chemokine"	""	""	""	"yes"	""	""
"4382"	"CCL18"	"Human"	"Peptide"	""	""	""	""	"178101190"	"0"	"P55774"	"ENSG00000275385"	""	""	""	""	""	""	""	"macrophage inflammatory protein 4|small-inducible cytokine A18"	""	""	""	"yes"	""	""
"4417"	"CCL19"	"Mouse"	"Peptide"	""	""	""	""	"135651662"	"0"	"O70460"	"ENSMUSG00000071005"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"810"	"CCL19"	"Human"	"Peptide"	""	""	""	""	"135651663"	"0"	"Q99731"	"ENSG00000172724"	""	""	""	""	""	""	""	"&beta;-chemokine exodus-3|ck &beta;-11|ck&beta;11|MIP-3&beta;"	""	""	""	"yes"	""	""
"4406"	"CCL2"	"Mouse"	"Peptide"	""	""	""	""	"135651665"	"0"	"P10148"	"ENSMUSG00000035385"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4407"	"CCL2"	"Rat"	"Peptide"	""	""	""	""	"135651666"	"0"	"P14844"	"ENSRNOG00000007159"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"771"	"CCL2"	"Human"	"Peptide"	""	""	""	""	"135651664"	"0"	"P13500"	"ENSG00000108691"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4418"	"CCL20"	"Mouse"	"Peptide"	""	""	""	""	"135651669"	"0"	"O89093"	"ENSMUSG00000026166"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4419"	"CCL20"	"Rat"	"Peptide"	""	""	""	""	"135651667"	"0"	"P97884"	"ENSRNOG00000015992"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"808"	"CCL20"	"Human"	"Peptide"	""	""	""	""	"135651668"	"0"	"P78556"	"ENSG00000115009"	""	""	""	""	""	""	""	"LARC|liver and activation-regulated chemokine|macrophage inflammatory protein-3&alpha;|MIP-3&alpha;"	""	""	""	"yes"	""	""
"809"	"CCL20-SEAP(His)<sub>6</sub>"	""	"Peptide"	""	""	""	""	"135652054"	"0"	""	""	""	""	""	""	""	""	""	"LARC fused with secreted alkaline phosphatase|LARC-SEAP(His)<sub>6</sub>|MIP-3&alpha; fused with secreted alkaline phosphatase"	""	""	""	""	""	""
"811"	"CCL21"	"Human"	"Peptide"	""	""	""	""	"135651670"	"0"	"O00585"	"ENSG00000137077"	""	""	""	""	""	""	""	"ck&beta;9|TCA-4"	""	""	""	"yes"	""	""
"8651"	"Ccl21a"	"Mouse"	"Peptide"	""	""	""	""	"252166851"	"0"	"P84444"	"ENSMUSG00000094686"	""	""	""	""	""	""	""	"6Ckine-Ser|Exodus-2"	""	""	""	"yes"	""	""
"8652"	"Ccl21b"	"Mouse"	"Peptide"	""	""	""	""	"252166852"	"0"	"P86792"	"ENSMUSG00000095675"	""	""	""	""	""	""	""	"6Ckine-Leu|Exodus-2"	""	""	""	"yes"	""	""
"798"	"CCL22"	"Human"	"Peptide"	""	""	""	""	"135651672"	"0"	"O00626"	"ENSG00000102962"	""	""	""	""	""	""	""	"dc/&beta;-ck|macrophage-derived chemokine|STCP1"	""	""	""	"yes"	""	""
"4420"	"CCL22"	"Mouse"	"Peptide"	""	""	""	""	"135651671"	"0"	"O88430"	"ENSMUSG00000031779"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"755"	"CCL23"	"Human"	"Peptide"	""	""	""	""	"135651673"	"0"	"P55773"	"ENSG00000274736"	""	""	""	""	""	""	""	"ck&beta;8-1|myeloid progenitor inhibitor factor-1"	""	""	""	"yes"	""	""
"775"	"CCL24"	"Human"	"Peptide"	""	""	""	""	"135651675"	"0"	"O00175"	"ENSG00000106178"	""	""	""	""	""	""	""	"eotaxin-2"	""	""	""	"yes"	""	""
"4421"	"CCL24"	"Mouse"	"Peptide"	""	""	""	""	"135651674"	"0"	"Q9JKC0"	"ENSMUSG00000004814"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"817"	"CCL25"	"Human"	"Peptide"	""	""	""	""	"135651677"	"0"	"O15444"	"ENSG00000131142"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4422"	"CCL25"	"Mouse"	"Peptide"	""	""	""	""	"135651676"	"0"	"O35903"	"ENSMUSG00000023235"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"776"	"CCL26"	"Human"	"Peptide"	""	""	""	""	"135651678"	"0"	"Q9Y258"	"ENSG00000006606"	""	""	""	""	""	""	""	"MIP-4&alpha;|PTEC"	""	""	""	"yes"	""	""
"3646"	"CCL27"	"Human"	"Peptide"	""	""	""	""	"135651679"	"0"	"Q9Y4X3"	"ENSG00000213927"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4462"	"CCL27"	"Mouse"	"Peptide"	""	""	""	""	"135651680"	"0"	"Q9Z1X0"	"ENSMUSG00000073888"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4463"	"CCL28"	"Mouse"	"Peptide"	""	""	""	""	"135651682"	"0"	"Q9JIL2"	"ENSMUSG00000074715"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"3649"	"CCL28"	"Human"	"Peptide"	""	""	""	""	"135651681"	"0"	"Q9NRJ3"	"ENSG00000151882"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4408"	"CCL3"	"Mouse"	"Peptide"	""	""	""	""	"135651685"	"0"	"P10855"	"ENSMUSG00000000982"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4409"	"CCL3"	"Rat"	"Peptide"	""	""	""	""	"135651683"	"0"	""	"ENSRNOG00000011205"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"756"	"CCL3"	"Human"	"Peptide"	""	""	""	""	"135651684"	"0"	"P10147"	"ENSG00000277632"	""	""	""	""	""	""	""	"macrophage inflammatory protein-1&alpha;|MIP-1&alpha;"	""	""	""	"yes"	""	""
"757"	"CCL4"	"Human"	"Peptide"	""	""	""	""	"135651687"	"0"	"P13236"	"ENSG00000275302"	""	""	""	""	""	""	""	"HC21|macrophage inflammatory protein-1&beta;|MIP-1&beta;"	""	""	""	"yes"	""	""
"4411"	"CCL4"	"Rat"	"Peptide"	""	""	""	""	"135651688"	"0"	"P50230"	"ENSRNOG00000011406"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4410"	"CCL4"	"Mouse"	"Peptide"	""	""	""	""	"135651686"	"0"	"P14097"	"ENSMUSG00000018930"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4412"	"CCL5"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651689"	"0"	"P30882|P50231"	"ENSMUSG00000035042"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"758"	"CCL5"	"Human"	"Peptide"	""	""	""	""	"135651690"	"0"	"P13501"	"ENSG00000271503"	""	""	""	""	""	""	""	"eosinophil chemotactic cytokine [EoCP]|regulated upon activation normal T cell expressed and secreted (RANTES)"	""	""	""	"yes"	""	""
"759"	"CCL7"	"Human"	"Peptide"	""	""	""	""	"135651693"	"0"	"P80098"	"ENSG00000108688"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4414"	"CCL7"	"Rat"	"Peptide"	""	""	""	""	"135651692"	"0"	"Q9QXY8"	"ENSRNOG00000000239"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4413"	"CCL7"	"Mouse"	"Peptide"	""	""	""	""	"135651691"	"0"	"Q03366"	"ENSMUSG00000035373"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"772"	"CCL8"	"Human"	"Peptide"	""	""	""	""	"135651694"	"0"	"P80075"	"ENSG00000108700"	""	""	""	""	""	""	""	"monocyte chemotactic protein-2"	""	""	""	"yes"	""	""
"4415"	"CCL8"	"Mouse"	"Peptide"	""	""	""	""	"135651695"	"0"	"Q9Z12"	"ENSMUSG00000009185"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4434"	"CCL9"	"Mouse"	"Peptide"	""	""	""	""	"178101198"	"0"	"P51670"	"ENSMUSG00000019122"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"5161"	"CCP"	""	"Synthetic organic"	""	""	""	""	"178101852"	"44398718"	""	""	"CHEMBL190662"	""	""	""	""	"N-pentadecylcyclohexanecarboxamide"	""	""	"CCCCCCCCCCCCCCCNC(=O)C1CCCCC1"	"VMFXYTSKMWPHQH-UHFFFAOYSA-N"	"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-22(24)21-18-15-14-16-19-21/h21H,2-20H2,1H3,(H,23,24)"	""	""	""
"374"	"CCPA"	""	"Synthetic organic"	""	""	""	""	"135651453"	"123807"	""	""	"CHEMBL284969"	""	""	""	""	"(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	""	"2-chloro-N(6)cyclopentyladenosine|2-chloro-N6-cyclopentyladenosine (2-Cl-CPA)"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1"	"XSMYYYQVWPZWIZ-IDTAVKCVSA-N"	"InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1"	""	""	""
"9431"	"CCR2-RA-[R]"	""	"Synthetic organic"	""	""	""	""	"328083531"	"12093170"	""	""	""	""	""	""	""	"(2R)-3-acetyl-1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one"	""	"analog 49 (Dasse <i>et al</i>., 2007)"	"Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C"	"VQNLJXWZGVRLBA-MRXNPFEDSA-N"	"InChI=1S/C18H19ClFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3/t16-/m1/s1"	"yes"	""	""
"10106"	"CCR5 antagonist 34"	""	"Synthetic organic"	""	""	""	""	"381118816"	"91820689"	""	""	""	""	""	""	""	"4,4-difluoro-N-[(1S)-3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-thiophen-3-ylpropyl]cyclohexane-1-carboxamide"	""	""	"O=C(C1CCC(CC1)(F)F)N[C@H](c1ccsc1)CCN1[C@@H]2CC[C@H]1C[C@@H](C2)n1c(C)nnc1C(C)C"	"KESMRFWRGXZDEF-KIHHCIJBSA-N"	"InChI=1S/C27H39F2N5OS/c1-17(2)25-32-31-18(3)34(25)23-14-21-4-5-22(15-23)33(21)12-8-24(20-9-13-36-16-20)30-26(35)19-6-10-27(28,29)11-7-19/h9,13,16-17,19,21-24H,4-8,10-12,14-15H2,1-3H3,(H,30,35)/t21-,22+,23-,24-/m0/s1"	""	""	""
"8820"	"CCT129957"	""	"Synthetic organic"	""	""	""	""	"252827477"	"2823659"	""	""	"CHEMBL475789"	""	""	""	""	"7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide"	""	""	"O=C(c1cc2c([nH]1)c(ccc2)[N+](=O)[O-])NCCc1ccccc1"	"VXDJRTJBOJFUOC-UHFFFAOYSA-N"	"InChI=1S/C17H15N3O3/c21-17(18-10-9-12-5-2-1-3-6-12)14-11-13-7-4-8-15(20(22)23)16(13)19-14/h1-8,11,19H,9-10H2,(H,18,21)"	""	""	""
"9815"	"CCT196969"	""	"Synthetic organic"	""	""	""	""	"354702287"	"42628843"	""	""	""	""	""	""	""	"1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea"	""	""	"O=C(Nc1cc(nn1c1ccccc1)C(C)(C)C)Nc1ccc(cc1F)Oc1ccnc2c1ncc(=O)[nH]2"	"KYYKGSDLXXKQCR-UHFFFAOYSA-N"	"InChI=1S/C27H24FN7O3/c1-27(2,3)21-14-22(35(34-21)16-7-5-4-6-8-16)32-26(37)31-19-10-9-17(13-18(19)28)38-20-11-12-29-25-24(20)30-15-23(36)33-25/h4-15H,1-3H3,(H,29,33,36)(H2,31,32,37)"	""	""	""
"9814"	"CCT241161"	""	"Synthetic organic"	""	""	""	""	"354702286"	"44132853"	""	""	""	""	""	""	""	"1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[2-methylsulfanyl-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea"	""	""	"CSc1cc(ccc1NC(=O)Nc1cc(nn1c1ccccc1)C(C)(C)C)Oc1ccnc2c1ncc(=O)[nH]2"	"DPMYVVGAYAPQNS-UHFFFAOYSA-N"	"InChI=1S/C28H27N7O3S/c1-28(2,3)22-15-23(35(34-22)17-8-6-5-7-9-17)32-27(37)31-19-11-10-18(14-21(19)39-4)38-20-12-13-29-26-25(20)30-16-24(36)33-26/h5-16H,1-4H3,(H,29,33,36)(H2,31,32,37)"	""	""	""
"8044"	"CCT241533"	""	"Synthetic organic"	""	""	""	""	"249565724"	"135564841"	""	""	""	""	""	""	""	"(6Z)-4-fluoro-6-[4-[[(3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl]amino]-6,7-dimethoxy-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one"	""	"CCT-241533"	"COc1cc2[nH]/c(=C/3\C=C(F)C=CC3=O)/nc(c2cc1OC)N[C@@H]1CNC[C@H]1C(O)(C)C"	"IXTQNANZDPZION-GSOOIIRJSA-N"	"InChI=1S/C23H27FN4O4/c1-23(2,30)15-10-25-11-17(15)27-21-13-8-19(31-3)20(32-4)9-16(13)26-22(28-21)14-7-12(24)5-6-18(14)29/h5-9,15,17,25-26,30H,10-11H2,1-4H3,(H,27,28)/b22-14-/t15-,17-/m1/s1"	""	""	""
"8215"	"CCT244747"	""	"Synthetic organic"	""	""	""	""	"249565895"	"54758482"	""	""	"CHEMBL2203843"	""	""	""	""	"3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-yl]amino]pyrazine-2-carbonitrile"	""	"compound 26 [PMID: 23082860]"	"N#Cc1ncc(nc1O[C@@H](CN(C)C)C)Nc1ncc(c(c1)OC)c1cnn(c1)C"	"IENLGMOXAQMNEH-CYBMUJFWSA-N"	"InChI=1S/C20H24N8O2/c1-13(11-27(2)3)30-20-16(7-21)22-10-19(26-20)25-18-6-17(29-5)15(9-23-18)14-8-24-28(4)12-14/h6,8-10,12-13H,11H2,1-5H3,(H,23,25,26)/t13-/m1/s1"	""	""	""
"9187"	"CCT245737"	""	"Synthetic organic"	""	""	""	""	"315661266"	"72165232"	""	""	""	""	""	""	""	"5-[(4-{[(2R)-morpholin-2-ylmethyl]amino}-5-(trifluoromethyl)pyridin-2-yl)amino]pyrazine-2-carbonitrile"	""	"compound 4 [PMID: 27167172]"	"N#Cc1cnc(cn1)Nc1ncc(c(c1)NC[C@H]1CNCCO1)C(F)(F)F"	"YBYYWUUUGCNAHQ-LLVKDONJSA-N"	"InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1"	""	""	""
"8945"	"CCT251545"	""	"Synthetic organic"	""	""	""	""	"310264726"	"77050682"	""	""	""	""	""	""	""	"8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one"	""	""	"Cn1ncc(c1)c1ccc(cc1)c1cncc(c1N1CCC2(CC1)CCNC2=O)Cl"	"LBFYQISQYCGDDW-UHFFFAOYSA-N"	"InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)"	""	""	""
"10485"	"CCT365623"	""	"Synthetic organic"	""	""	""	""	"385612244"	"130345035"	""	""	""	""	""	""	""	"[5-(3-methylsulfonyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine"	""	"compound 9f [PMID: 31070916]"	"NCc1ccc(s1)S(=O)(=O)c1cc(cc(c1)S(=O)(=O)C)c1ccccc1"	"ADIBEGOVRYXDOX-UHFFFAOYSA-N"	"InChI=1S/C18H17NO4S3/c1-25(20,21)16-9-14(13-5-3-2-4-6-13)10-17(11-16)26(22,23)18-8-7-15(12-19)24-18/h2-11H,12,19H2,1H3"	""	""	""
"10164"	"CCX354"	""	"Synthetic organic"	""	""	""	""	"381118874"	"135565361"	""	""	""	""	""	""	""	"1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-imidazol-2-ylidene-2H-pyrazolo[3,4-b]pyridin-1-yl)ethanone"	""	"CCX 354|CCX-354|CCX-354-C"	"COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1[nH]c(=C2N=CC=N2)c2c1nccc2"	"WSVDLXWYJRCDBZ-UHFFFAOYSA-N"	"InChI=1S/C22H22ClN7O2/c1-32-18-13-15(4-5-17(18)23)28-9-11-29(12-10-28)19(31)14-30-22-16(3-2-6-26-22)20(27-30)21-24-7-8-25-21/h2-8,13,27H,9-12,14H2,1H3"	"yes"	""	""
"8906"	"CD2314"	""	"Synthetic organic"	""	""	""	""	"310264687"	"15293210"	""	""	""	""	""	""	""	"5-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)thiophene-3-carboxylic acid"	""	"CD 2314|CD-2314"	"OC(=O)c1csc(c1)c1ccc2c(c1)cc1c(c2)C(C)(C)CCC1(C)C"	"URUSABQSUCBGGJ-UHFFFAOYSA-N"	"InChI=1S/C23H24O2S/c1-22(2)7-8-23(3,4)19-11-16-9-15(6-5-14(16)10-18(19)22)20-12-17(13-26-20)21(24)25/h5-6,9-13H,7-8H2,1-4H3,(H,24,25)"	""	""	""
"2654"	"CD2665"	""	"Synthetic organic"	""	""	""	""	"135650059"	"216241"	""	""	""	""	""	""	""	"4-[7-(1-adamantyl)-6-(2-methoxyethoxymethoxy)naphthalen-2-yl]benzoic acid"	""	"CD 2665|CD-2665"	"COCCOCOc1cc2ccc(cc2cc1C12CC3CC(C2)CC(C1)C3)c1ccc(cc1)C(=O)O"	"JBALRFFXKQPVLT-UHFFFAOYSA-N"	"InChI=1S/C31H34O5/c1-34-8-9-35-19-36-29-15-26-7-6-25(23-2-4-24(5-3-23)30(32)33)13-27(26)14-28(29)31-16-20-10-21(17-31)12-22(11-20)18-31/h2-7,13-15,20-22H,8-12,16-19H2,1H3,(H,32,33)"	""	""	""
"5080"	"CD30 ligand"	"Human"	"Peptide"	""	""	""	""	"178101773"	"0"	"P32971"	"ENSG00000106952"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2810"	"CD3254"	""	"Synthetic organic"	""	""	""	""	"135650060"	"44566110"	""	""	"CHEMBL491294"	""	""	""	""	"(E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-6, 7-dihydronaphthalen-2-yl)phenyl]prop-2-enoic acid"	""	"CD 3254|CD-3254"	"OC(=O)/C=C/c1ccc(c(c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)O"	"DYLLZSVPAUUSSB-VQHVLOKHSA-N"	"InChI=1S/C24H28O3/c1-15-12-19-20(24(4,5)11-10-23(19,2)3)14-17(15)18-13-16(6-8-21(18)25)7-9-22(26)27/h6-9,12-14,25H,10-11H2,1-5H3,(H,26,27)/b9-7+"	""	""	""
"5077"	"CD40 ligand"	"Human"	"Peptide"	""	""	""	""	"178101770"	"0"	"P29965"	"ENSG00000102245"	""	""	""	""	""	""	""	"CD40 ligand, membrane form"	""	""	""	"yes"	""	""
"2652"	"CD666"	""	"Synthetic organic"	""	""	""	""	"53801005"	"10090192"	""	""	"CHEMBL97080"	""	""	""	""	"4-[(E)-3-hydroxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid"	""	"CD 666|CD-666"	"OC(c1ccc2c(c1)C(C)(C)CCC2(C)C)/C=C/c1ccc(cc1)C(=O)O"	"QCSYBKHFYYISTQ-KPKJPENVSA-N"	"InChI=1S/C24H28O3/c1-23(2)13-14-24(3,4)20-15-18(10-11-19(20)23)21(25)12-7-16-5-8-17(9-6-16)22(26)27/h5-12,15,21,25H,13-14H2,1-4H3,(H,26,27)/b12-7+"	""	""	""
"5079"	"CD70"	"Human"	"Peptide"	""	""	""	""	"178101772"	"0"	"P32970"	"ENSG00000125726"	""	""	""	""	""	""	""	"CD27 ligand|Ki-24|TNFSF7"	""	""	""	""	""	""
"5162"	"CDC"	""	"Synthetic organic"	""	""	""	""	"178101853"	"14840979"	""	""	"CHEMBL37141"	""	""	""	""	"(2E)-3-phenylprop-2-en-1-yl (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate"	""	"cinnamyl-3,4-dihydroxy-&alpha;-cyanocinnamate"	"N#C/C(=C\c1ccc(c(c1)O)O)/C(=O)OC/C=C/c1ccccc1"	"XGHYFEJMJXGPGN-UYHGDYIZSA-N"	"InChI=1S/C19H15NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-9,11-12,21-22H,10H2/b7-4+,16-11+"	""	""	""
"5942"	"Cdc2-like kinase inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102565"	"1893668"	""	""	"CHEMBL408982"	""	""	""	""	"(1Z)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one"	""	"Clk inhibitor|TG 003|TG-003|TG003"	"COc1ccc2c(c1)n(CC)/c(=C/C(=O)C)/s2"	"BGVLELSCIHASRV-QPEQYQDCSA-N"	"InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-"	""	""	""
"11702"	"CDD-1976"	""	"Synthetic organic"	""	""	""	""	"442878728"	"156587568"	""	""	""	""	""	""	""	"2-[2-formyl-4-(1H-indazol-4-yl)phenoxy]-N,N-dimethylacetamide"	""	"CDD1976"	"C(=O)c1cc(ccc1OCC(=O)N(C)C)c1cccc2c1cn[nH]2"	"IXTRHVKNNCAPDT-UHFFFAOYSA-N"	"InChI=1S/C18H17N3O3/c1-21(2)18(23)11-24-17-7-6-12(8-13(17)10-22)14-4-3-5-16-15(14)9-19-20-16/h3-10H,11H2,1-2H3,(H,19,20)"	""	""	""
"3443"	"CDDO-Me"	""	"Synthetic organic"	""	""	""	""	"178100443"	"400769"	""	""	"CHEMBL1762621"	""	""	""	""	"methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate"	""	"2-cyano-3,12-dioxooleana-1,9-dien-28-oic acid methyl ester"	"N#CC1=C[C@@]2(C)[C@H](C(C1=O)(C)C)CC[C@@]1(C2=CC(=O)[C@H]2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)OC)C"	"WPTTVJLTNAWYAO-KPOXMGGZSA-N"	"InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1"	""	""	""
"10063"	"CDK12 inhibitor 2"	""	"Synthetic organic"	""	""	""	""	"375973251"	"134813906"	""	""	""	""	""	""	""	"3-Benzyl-1-(trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-(4-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)urea"	""	""	"N#Cc1ccc(nc1)N[C@@H]1CC[C@H](CC1)N(c1ccc(cc1)c1ccc(=O)n(c1)C)C(=O)NCc1ccccc1"	"HDJBGURZVALLMD-KWQFAZJVSA-N"	"InChI=1S/C32H32N6O2/c1-37-22-26(10-18-31(37)39)25-8-13-28(14-9-25)38(32(40)35-20-23-5-3-2-4-6-23)29-15-11-27(12-16-29)36-30-17-7-24(19-33)21-34-30/h2-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,1H3,(H,34,36)(H,35,40)/t27-,29-"	""	""	""
"5946"	"Cdk1/2 inhibitor III"	""	"Synthetic organic"	""	""	""	""	"178102569"	"5330812"	""	""	"CHEMBL261720"	""	""	""	""	"5-amino-N-(2,6-difluorophenyl)-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbothioamide"	""	""	"Fc1cccc(c1NC(=S)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N)F"	"ARIOBGGRZJITQX-UHFFFAOYSA-N"	"InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)"	""	""	""
"5947"	"Cdk1/5 inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102570"	"438981"	""	""	"CHEMBL259389"	""	""	""	""	"2H-pyrazolo[3,4-b]quinoxalin-3-amine"	""	"quinoxaline1"	"Nc1[nH]nc2c1nc1ccccc1n2"	"DWHVZCLBMTZRQM-UHFFFAOYSA-N"	"InChI=1S/C9H7N5/c10-8-7-9(14-13-8)12-6-4-2-1-3-5(6)11-7/h1-4H,(H3,10,12,13,14)"	""	""	""
"5944"	"Cdk1 inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102567"	"5472558"	""	""	"CHEMBL261425"	""	""	""	""	"(3E)-3-[(2-chloro-1H-indol-3-yl)methylidene]-2,3-dihydro-1H-indol-2-one"	""	""	"O=C1Nc2c(/C/1=C\c1c(Cl)[nH]c3c1cccc3)cccc2"	"QJKBRWSJWQVKLY-UKTHLTGXSA-N"	"InChI=1S/C17H11ClN2O/c18-16-12(10-5-1-3-7-14(10)19-16)9-13-11-6-2-4-8-15(11)20-17(13)21/h1-9,19H,(H,20,21)/b13-9+"	""	""	""
"5948"	"Cdk2 inhibitor III"	""	"Synthetic organic"	""	""	""	""	"178102571"	"6918386"	""	""	"CHEMBL80713"	""	""	""	""	"2-[(2-hydroxyethyl)(6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl)amino]ethan-1-ol"	""	"AC1OCFD4|CVT-313|NG 26"	"OCCN(c1nc(NCc2ccc(cc2)OC)c2c(n1)n(cn2)C(C)C)CCO"	"NQVIIUBWMBHLOZ-UHFFFAOYSA-N"	"InChI=1S/C20H28N6O3/c1-14(2)26-13-22-17-18(21-12-15-4-6-16(29-3)7-5-15)23-20(24-19(17)26)25(8-10-27)9-11-28/h4-7,13-14,27-28H,8-12H2,1-3H3,(H,21,23,24)"	""	""	""
"5949"	"Cdk2 inhibitor IV"	""	"Synthetic organic"	""	""	""	""	"178102572"	"10202471"	""	""	"CHEMBL1802728"	""	""	""	""	"4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide"	""	"NU6140"	"CCN(C(=O)c1ccc(cc1)Nc1nc(OCC2CCCCC2)c2c(n1)nc[nH]2)CC"	"XHEQSRJCJTWWAH-UHFFFAOYSA-N"	"InChI=1S/C23H30N6O2/c1-3-29(4-2)22(30)17-10-12-18(13-11-17)26-23-27-20-19(24-15-25-20)21(28-23)31-14-16-8-6-5-7-9-16/h10-13,15-16H,3-9,14H2,1-2H3,(H2,24,25,26,27,28)"	""	""	""
"14477"	"CDK2 PROTAC 37"	""	"Synthetic organic"	""	""	""	""	"528429798"	"170953779"	""	""	""	""	""	""	""	"N-[(3S,4R)-1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]methyl]-3-fluoropiperidin-4-yl]-3-fluoro-4-[[4-[(3S)-3-hydroxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide"	""	""	"C1(C2=CC(F)=C(N3CCC(CN4CC[C@@H](NS(C5=CC=C(NC6=NC=C(C(F)(F)F)C(N7CCC[C@](C)(O)C7)=N6)C(F)=C5)(=O)=O)[C@@H](F)C4)CC3)C=C2)CCC(=O)NC1=O"	"MQWDHROLFNTJMK-PONYFJNFSA-N"	"InChI=1S/C39H46F6N8O5S/c1-38(56)12-2-13-53(22-38)35-27(39(43,44)45)19-46-37(49-35)47-31-6-4-25(18-28(31)40)59(57,58)50-32-11-14-51(21-30(32)42)20-23-9-15-52(16-10-23)33-7-3-24(17-29(33)41)26-5-8-34(54)48-36(26)55/h3-4,6-7,17-19,23,26,30,32,50,56H,2,5,8-16,20-22H2,1H3,(H,46,47,49)(H,48,54,55)/t26?,30-,32+,38-/m0/s1"	""	""	""
"5950"	"Cdk4 inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102573"	"5330797"	""	""	"CHEMBL64758"	""	""	""	""	"6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaene-12,14-dione"	""	"indolocarbazole deriv. 4(d)|K00024"	"Brc1ccc2c(c1)[nH]c1c2c2c(=O)[nH]c(=O)c2c2c1[nH]c1c2cccc1"	"NMFKDDRQSNVETB-UHFFFAOYSA-N"	"InChI=1S/C20H10BrN3O2/c21-8-5-6-10-12(7-8)23-18-14(10)16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18/h1-7,22-23H,(H,24,25,26)"	""	""	""
"5951"	"Cdk4 inhibitor II"	""	"Synthetic organic"	""	""	""	""	"178102574"	"3004085"	""	""	"CHEMBL1331734"	""	""	""	""	"1,4-dimethoxy-9,10-dihydroacridine-9-thione"	""	"NSC 625987|NSC-625987|NSC625987"	"COc1ccc(c2c1[nH]c1ccccc1c2=S)OC"	"KFAKESMKRPNZTM-UHFFFAOYSA-N"	"InChI=1S/C15H13NO2S/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16-14/h3-8H,1-2H3,(H,16,19)"	""	""	""
"5952"	"Cdk4 inhibitor III"	""	"Synthetic organic"	""	""	""	""	"178102575"	"481747"	""	""	"CHEMBL290904"	""	""	""	""	"2-methyl-5-[(4-methylphenyl)amino]-4,7-dihydro-1,3-benzothiazole-4,7-dione"	""	"ryuvidine"	"Cc1ccc(cc1)NC1=CC(=O)c2c(C1=O)nc(s2)C"	"HFPLHASLIOXVGS-UHFFFAOYSA-N"	"InChI=1S/C15H12N2O2S/c1-8-3-5-10(6-4-8)17-11-7-12(18)15-13(14(11)19)16-9(2)20-15/h3-7,17H,1-2H3"	""	""	""
"14459"	"Cdk5i"	""	"Peptide"	""	""	""	""	"528429780"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"13916"	"CDK9 inhibitor 1-7a-B1"	""	"Synthetic organic"	""	""	""	""	"513757601"	"175670505"	""	""	""	""	""	""	""	""	""	""	"O=C(NC1=CC(C(N2CCN(C)CC2)=O)=CC=C1)NC3=CC(C4=CC=C(F)C=C4OC(C)C)=CC=N3"	"GSLHDZCTAHKMDW-UHFFFAOYSA-N"	"InChI=1S/C27H30FN5O3/c1-18(2)36-24-17-21(28)7-8-23(24)19-9-10-29-25(16-19)31-27(35)30-22-6-4-5-20(15-22)26(34)33-13-11-32(3)12-14-33/h4-10,15-18H,11-14H2,1-3H3,(H2,29,30,31,35)"	""	""	""
"13713"	"CDK9 PROTAC C3"	""	"Synthetic organic"	""	""	""	""	"507750347"	"172879833"	""	""	""	""	""	""	""	"4-(2,6-Dichlorobenzamido)-N-(1-(2-(4-((4-(3-((2,6-dioxopiperidin-3-yl)amino)phenyl)piperazin-1-yl)methyl)piperidin-1-yl)acetyl)piperidin-4-yl)-1H-pyrazole-3-carboxamide"	""	""	"O=C(C1=C(Cl)C=CC=C1Cl)NC2=CNN=C2C(NC3CCN(C(CN4CCC(CN5CCN(C6=CC(NC7C(NC(CC7)=O)=O)=CC=C6)CC5)CC4)=O)CC3)=O"	"RKEBQEQMPKZBRC-UHFFFAOYSA-N"	"InChI=1S/C39H48Cl2N10O5/c40-29-5-2-6-30(41)35(29)38(55)45-32-22-42-47-36(32)39(56)44-26-11-15-51(16-12-26)34(53)24-48-13-9-25(10-14-48)23-49-17-19-50(20-18-49)28-4-1-3-27(21-28)43-31-7-8-33(52)46-37(31)54/h1-6,21-22,25-26,31,43H,7-20,23-24H2,(H,42,47)(H,44,56)(H,45,55)(H,46,52,54)"	""	""	""
"5943"	"Cdk/Crk inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102566"	"135473382"	""	""	"CHEMBL258721"	""	""	""	""	"1-(2,6-dichlorophenyl)-6-{[4-(2-hydroxyethoxy)phenyl]methyl}-3-(propan-2-yl)-1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one"	""	"pyrazolopyrimidone analog, RGB-286147"	"OCCOc1ccc(cc1)Cc1nc(=O)c2c(n1)n([nH]c2C(C)C)c1c(Cl)cccc1Cl"	"VQNCIRRXQQTXEL-UHFFFAOYSA-N"	"InChI=1S/C23H22Cl2N4O3/c1-13(2)20-19-22(29(28-20)21-16(24)4-3-5-17(21)25)26-18(27-23(19)31)12-14-6-8-15(9-7-14)32-11-10-30/h3-9,13,28,30H,10-12H2,1-2H3"	""	""	""
"10357"	"CDK inhibitor 4.35"	""	"Synthetic organic"	""	""	""	""	"384403638"	"138105941"	""	""	""	""	""	""	""	"5-[(2-aminoethyl)sulfanyl]-3-(propan-2-yl)-N-{[4-(pyridin-2-yl)phenyl]methyl}-1H-pyrazolo[4,3-d]pyrimidin-7-amine"	""	"LGR4455"	"NCCSc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)c(n[nH]2)C(C)C"	"PCQPAKMJSYGXRE-UHFFFAOYSA-N"	"InChI=1S/C22H25N7S/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)30-12-10-23)25-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,28,29)(H,25,26,27)"	""	""	""
"12968"	"CDN1163"	""	"Synthetic organic"	""	""	""	""	"485206089"	"16016585"	""	""	"CHEMBL1474314"	""	""	""	""	"N-(2-methylquinolin-8-yl)-4-propan-2-yloxybenzamide"	""	""	"CC(C)OC1=CC=C(C=C1)C(=O)NC2=C3N=C(C)C=CC3=CC=C2"	"GVGVYDCVFBGALZ-UHFFFAOYSA-N"	"InChI=1S/C20H20N2O2/c1-13(2)24-17-11-9-16(10-12-17)20(23)22-18-6-4-5-15-8-7-14(3)21-19(15)18/h4-13H,1-3H3,(H,22,23)"	""	""	""
"9330"	"CDP840"	""	"Synthetic organic"	""	""	""	""	"318164849"	"127928"	""	""	"CHEMBL32442"	""	""	""	""	"4-[(2R)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine"	""	"CDP 840|CDP-840"	"COc1ccc(cc1OC1CCCC1)[C@@H](c1ccccc1)Cc1ccncc1"	"UTUUPXBCDMQYRR-HSZRJFAPSA-N"	"InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1"	"yes"	""	""
"1422"	"CDPPB"	""	"Synthetic organic"	""	""	""	""	"135650062"	"11245456"	""	""	"CHEMBL190270"	""	""	""	""	"3-cyano-N-[2,5-di(phenyl)pyrazol-3-yl]benzamide"	""	""	"N#Cc1cccc(c1)C(=O)Nc1cc(nn1c1ccccc1)c1ccccc1"	"BKUIZWILNWHFHD-UHFFFAOYSA-N"	"InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)"	""	""	""
"10399"	"CDRI-97/78"	""	"Synthetic organic"	""	""	""	""	"384403678"	"9870599"	""	""	""	""	""	""	""	"4-[2-methyl-2-[4-(1-spiro[1,2,4-trioxane-3,2'-adamantane]-6-ylethenyl)phenoxy]propoxy]-4-oxobutanoic acid"	""	""	"O=C(OCC(Oc1ccc(cc1)C(=C)C1COC2(OO1)C1CC3CC2CC(C1)C3)(C)C)CCC(=O)O"	"LKAAAECAYCDCQW-UHFFFAOYSA-N"	"InChI=1S/C28H36O8/c1-17(24-15-33-28(36-35-24)21-11-18-10-19(13-21)14-22(28)12-18)20-4-6-23(7-5-20)34-27(2,3)16-32-26(31)9-8-25(29)30/h4-7,18-19,21-22,24H,1,8-16H2,2-3H3,(H,29,30)"	""	"yes"	""
"2440"	"Cd<sup>2+</sup>"	""	"Inorganic"	""	""	""	""	"135652732"	"31193"	""	""	""	""	""	""	""	""	""	"cadmium ion"	""	""	""	""	""	""
"9055"	"CE-326597"	""	"Synthetic organic"	""	""	""	""	"315661140"	"52949124"	""	""	"CHEMBL1269258"	""	""	""	""	"N-benzyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-5-oxo-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-6-yl]-N-propan-2-ylacetamide"	""	"compound 4a [PMID: 20851601]"	"CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C"	"UBNMGTSDHSQBEL-PMERELPUSA-N"	"InChI=1S/C37H34N6O2/c1-25(2)41(23-26-13-5-3-6-14-26)34(44)24-42-32-19-11-12-20-33(32)43-35(27-15-7-4-8-16-27)39-40-36(43)30(37(42)45)21-28-22-38-31-18-10-9-17-29(28)31/h3-20,22,25,30,38H,21,23-24H2,1-2H3/t30-/m0/s1"	""	""	""
"10624"	"CE3F4"	""	"Synthetic organic"	""	""	""	""	"404859071"	"21781066"	""	""	""	""	""	""	""	"5,7-dibromo-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbaldehyde"	""	""	"O=CN1C(C)CCc2c1cc(Br)c(c2Br)F"	"ZZLQPWXVZCPUGC-UHFFFAOYSA-N"	"InChI=1S/C11H10Br2FNO/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3"	""	""	""
"14080"	"CE9A215"	""	"Natural product"	""	""	""	""	"518520707"	"44422314"	""	""	"CHEMBL449088"	""	""	""	""	"(3S,5R,10S,13R,14R,17R)-17-[(2S,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol"	""	"inotodiol"	"C[C@@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)[C@@H](CC=C(C)C)O"	"KKWJCGCIAHLFNE-KFPHZHIMSA-N"	"InChI=1S/C30H50O2/c1-19(2)9-11-24(31)20(3)21-13-17-30(8)23-10-12-25-27(4,5)26(32)15-16-28(25,6)22(23)14-18-29(21,30)7/h9,20-21,24-26,31-32H,10-18H2,1-8H3/t20-,21+,24+,25-,26-,28+,29+,30-/m0/s1"	""	""	""
"8866"	"cebranopadol"	""	"Synthetic organic"	""	""	""	""	"252827523"	"11848225"	""	""	"CHEMBL2364605"	""	""	""	""	"6-fluoro-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine"	"cebranopadol"	"GRT 6005|GRT-6005|GRT6005"	"Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1"	"CSMVOZKEWSOFER-UHFFFAOYSA-N"	"InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3"	""	""	""
"11101"	"cedazuridine"	""	"Synthetic organic"	"yes"	""	""	""	"434122162"	"25267009"	""	""	"CHEMBL3237547"	""	""	""	""	"(4R)-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one"	"cedazuridine"	"(4R)-2'-deoxy-2',2'-difluoro-3,4,5,6-tetrahydrouridine|ASTX727 (cedazuridine + decitabine)|compound 7a [PMID: 24520856]"	"OC[C@H]1O[C@H](C([C@@H]1O)(F)F)N1CC[C@H](NC1=O)O"	"VUDZSIYXZUYWSC-DBRKOABJSA-N"	"InChI=1S/C9H14F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4-7,14-16H,1-3H2,(H,12,17)/t4-,5-,6-,7-/m1/s1"	""	""	""
"5664"	"cediranib"	""	"Synthetic organic"	""	""	""	""	"178102292"	"9933475"	""	""	"CHEMBL491473"	""	""	""	""	"4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline"	"cediranib"	"AZD 2171|AZD2171|ZD 2171"	"COc1cc2c(ncnc2cc1OCCCN1CCCC1)Oc1ccc2c(c1F)cc([nH]2)C"	"XXJWYDDUDKYVKI-UHFFFAOYSA-N"	"InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3"	""	""	""
"12350"	"CEE321"	""	"Synthetic organic"	""	""	""	""	"479821141"	"129165016"	""	""	""	""	""	""	""	"4-(2-chloroanilino)-6-[(6-methylpyridin-2-yl)amino]pyridine-3-carboxamide"	""	"CEE-321|compound 1e [PMID: 36657024]"	"O=C(N)c1c(Nc2ccccc2Cl)cc(Nc2nc(C)ccc2)nc1"	"OYWNKAAPXTYEBN-UHFFFAOYSA-N"	"InChI=1S/C18H16ClN5O/c1-11-5-4-8-16(22-11)24-17-9-15(12(10-21-17)18(20)25)23-14-7-3-2-6-13(14)19/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)"	"yes"	""	""
"12192"	"cefacetrile"	""	"Synthetic organic"	""	""	""	""	"472319314"	"91562"	""	""	"CHEMBL2110602"	""	""	""	""	"(6R,7R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefacetrile"	"Celospor&reg;|cephacetrile"	"CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)O"	"RRYMAQUWDLIUPV-BXKDBHETSA-N"	"InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1"	""	""	"yes"
"10897"	"cefaclor"	""	"Synthetic organic"	"yes"	""	""	""	"405560338"	"51039"	""	""	"CHEMBL680"	""	""	""	""	"(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefaclor"	"Ceclor&reg;|Lilly 99638|Raniclor&reg;"	"NC(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)Cl"	"QYIYFLOTGYLRGG-UHFFFAOYSA-N"	"InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)"	""	""	"yes"
"4831"	"cefadroxil"	""	"Synthetic organic"	"yes"	""	""	""	"178101533"	"47965"	""	""	"CHEMBL1644"	""	""	""	""	"(6R,7R)-7-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefadroxil"	"Duricef&reg;"	"O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C"	"BOEGTKLJZSQCCD-UEKVPHQBSA-N"	"InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1"	""	""	"yes"
"12193"	"cefaloglycin"	""	"Synthetic organic"	"yes"	""	""	""	"472319315"	"19150"	""	""	"CHEMBL1200971"	""	""	""	""	"(6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefaloglycin"	"cephaloglycin|Kafocin&reg;"	"CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c2ccccc2)N)SC1)C(=O)O"	"FUBBGQLTSCSAON-PBFPGSCMSA-N"	"InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1"	""	""	"yes"
"13609"	"cefalonium"	""	"Synthetic organic"	""	""	""	""	"504705428"	"21743"	""	""	"CHEMBL2105567"	""	""	""	""	"(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"	"cefalonium"	"cephalonium|Cepravin&reg; (veterinary)"	"C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N"	"FMZXNVLFJHCSAF-DNVCBOLYSA-N"	"InChI=1S/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/t15-,19-/m1/s1"	""	""	"yes"
"12189"	"cefaloridine"	""	"Synthetic organic"	""	""	""	""	"472319311"	"5773"	""	""	"CHEMBL316157"	""	""	""	""	"(6R,7R)-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"	"cefaloridine"	"cephaloridine|ceporin"	"C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc1cccs1)C(=O)[O-])C[n+]1ccccc1"	"CZTQZXZIADLWOZ-CRAIPNDOSA-N"	"InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1"	""	""	"yes"
"8798"	"cefalotin"	""	"Synthetic organic"	"yes"	""	""	""	"252827456"	"6024"	""	""	"CHEMBL617"	""	""	""	""	"(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefalotin"	"cephalothin|cephalotin|Keflin&reg;"	"CC(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1cccs1"	"XIURVHNZVLADCM-IUODEOHRSA-N"	"InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1"	""	""	"yes"
"12210"	"cefamandole"	""	"Synthetic organic"	"yes"	""	""	""	"472319330"	"456255"	""	""	"CHEMBL1146"	""	""	""	""	"(6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefamandole"	"cephamandole"	"Cn1c(nnn1)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c2ccccc2)O)SC1)C(=O)O"	"OLVCFLKTBJRLHI-AXAPSJFSSA-N"	"InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1"	""	""	"yes"
"12191"	"cefapirin"	""	"Synthetic organic"	"yes"	""	""	""	"472319313"	"30699"	""	""	"CHEMBL1599"	""	""	""	""	"(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefapirin"	"Cefadyl&reg;|cephapirin"	"CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSc2ccncc2)SC1)C(=O)O"	"UQLLWWBDSUHNEB-CZUORRHYSA-N"	"InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1"	""	""	"yes"
"12204"	"cefatrizine"	""	"Synthetic organic"	""	""	""	""	"472319324"	"6410758"	""	""	"CHEMBL1095284"	""	""	""	""	"(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefatrizine"	"BL-S640"	"C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c1ccc(cc1)O)N)C(=O)O)CSc1n[nH]nc1"	"UOCJDOLVGGIYIQ-PBFPGSCMSA-N"	"InChI=1S/C18H18N6O5S2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23)/t12-,13-,17-/m1/s1"	""	""	"yes"
"10770"	"cefazaflur"	""	"Synthetic organic"	""	""	""	""	"405560211"	"40240"	""	""	"CHEMBL2110623"	""	""	""	""	"(6R,7R)-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-(trifluoromethylsulfanyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefazaflur"	"SK&F 59962"	"O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)CSC(F)(F)F"	"HGXLJRWXCXSEJO-GMSGAONNSA-N"	"InChI=1S/C13H13F3N6O4S3/c1-21-12(18-19-20-21)28-3-5-2-27-10-7(9(24)22(10)8(5)11(25)26)17-6(23)4-29-13(14,15)16/h7,10H,2-4H2,1H3,(H,17,23)(H,25,26)/t7-,10-/m1/s1"	""	""	"yes"
"12203"	"cefazedone"	""	"Synthetic organic"	""	""	""	""	"472319323"	"71736"	""	""	"CHEMBL2107636"	""	""	""	""	"(6R,7R)-7-[[2-(3,5-dichloro-4-oxopyridin-1-yl)acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefazedone"	"EMD-30087|Refosporen&reg;"	"Cc1nnc(s1)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cn2cc(c(=O)c(c2)Cl)Cl)SC1)C(=O)O"	"VTLCNEGVSVJLDN-MLGOLLRUSA-N"	"InChI=1S/C18H15Cl2N5O5S3/c1-7-22-23-18(33-7)32-6-8-5-31-16-12(15(28)25(16)13(8)17(29)30)21-11(26)4-24-2-9(19)14(27)10(20)3-24/h2-3,12,16H,4-6H2,1H3,(H,21,26)(H,29,30)/t12-,16-/m1/s1"	""	""	"yes"
"10935"	"cefazolin"	""	"Synthetic organic"	"yes"	""	""	""	"405560376"	"33255"	""	""	"CHEMBL1435"	""	""	""	""	"(6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefazolin"	"Ancef&reg;|cephazolin|CEZ|Kefzol&reg;|SK&F-41558"	"O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnc(s1)C)Cn1cnnn1"	"MLYYVTUWGNIJIB-BXKDBHETSA-N"	"InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1"	""	""	"yes"
"12253"	"cefbuperazone"	""	"Synthetic organic"	""	""	""	""	"473153841"	"127527"	""	""	"CHEMBL1908372"	""	""	""	""	"(6R,7S)-7-[[(2R,3S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefbuperazone"	""	"CCN1CCN(C(=O)C1=O)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@]1([C@@H]2N(C1=O)C(=C(CS2)CSc1nnnn1C)C(=O)O)OC"	"SMSRCGPDNDCXFR-CYWZMYCQSA-N"	"InChI=1S/C22H29N9O9S2/c1-5-29-6-7-30(16(35)15(29)34)20(39)23-12(10(2)32)14(33)24-22(40-4)18(38)31-13(17(36)37)11(8-41-19(22)31)9-42-21-25-26-27-28(21)3/h10,12,19,32H,5-9H2,1-4H3,(H,23,39)(H,24,33)(H,36,37)/t10-,12+,19+,22-/m0/s1"	""	""	"yes"
"12053"	"cefcapene"	""	"Synthetic organic"	"yes"	""	""	""	"472319175"	"6436055"	""	""	"CHEMBL582912"	""	""	""	""	"(6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefcapene"	"Flomox&reg; (cefcapene pivoxil)|S-1006"	"CC/C=C(/c1csc(n1)N)\C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O"	"HJJRIJDTIPFROI-NVKITGPLSA-N"	"InChI=1S/C17H19N5O6S2/c1-2-3-8(9-6-30-16(18)20-9)12(23)21-10-13(24)22-11(15(25)26)7(4-28-17(19)27)5-29-14(10)22/h3,6,10,14H,2,4-5H2,1H3,(H2,18,20)(H2,19,27)(H,21,23)(H,25,26)/b8-3-/t10-,14-/m1/s1"	""	""	"yes"
"10771"	"cefclidin"	""	"Synthetic organic"	""	""	""	""	"405560212"	"6537446"	""	""	"CHEMBL1614665"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"	"cefclidin"	"cefclidine|E-1040|E1040"	"CO/N=C(/c1nsc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]12CCC(CC1)(CC2)C(=O)N"	"JUVHVMCKLDZLGN-TVNFHGJBSA-N"	"InChI=1S/C21H26N8O6S2/c1-35-26-11(14-25-20(23)37-27-14)15(30)24-12-16(31)28-13(18(32)33)10(9-36-17(12)28)8-29-5-2-21(3-6-29,4-7-29)19(22)34/h12,17H,2-9H2,1H3,(H5-,22,23,24,25,27,30,32,33,34)/b26-11-/t12-,17-,21?,29?/m1/s1"	""	""	"yes"
"12023"	"cefdinir"	""	"Synthetic organic"	"yes"	""	""	""	"464244164"	"6915944"	""	""	"CHEMBL927"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefdinir"	"FK 482|Omnicef&reg;"	"C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/c2csc(n2)N)SC1)C(=O)O"	"RTXOFQZKPXMALH-GHXIOONMSA-N"	"InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1"	""	""	"yes"
"12030"	"cefditoren"	""	"Synthetic organic"	"yes"	""	""	""	"464244171"	"9870843"	""	""	"CHEMBL1743"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefditoren"	"ME 1206|Spectracef&reg; (cefditoren pivoxil)"	"Cc1c(scn1)/C=C\C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c2csc(n2)N)SC1)C(=O)O"	"KMIPKYQIOVAHOP-YLGJWRNMSA-N"	"InChI=1S/C19H18N6O5S3/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10/h3-4,6-7,13,17H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29)/b4-3-,24-12-/t13-,17-/m1/s1"	""	""	"yes"
"10772"	"cefepime"	""	"Synthetic organic"	"yes"	""	""	""	"405560213"	"5479537"	""	""	"CHEMBL186"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"	"cefepime"	"BMY-28142|BMY28142|CFPM|Maxipime&reg;|Renapime&reg;"	"CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]1(C)CCCC1"	"HVFLCNVBZFFHBT-ZKDACBOMSA-N"	"InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1"	""	""	"yes"
"12416"	"cefetamet"	""	"Synthetic organic"	""	""	""	""	"479821207"	"5487888"	""	""	"CHEMBL2103764"	""	""	""	""	""	"cefetamet"	"Ro 15-8074"	"CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O"	"MQLRYUCJDNBWMV-GHXIOONMSA-N"	"InChI=1S/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1"	""	""	"yes"
"10775"	"cefetecol"	""	"Synthetic organic"	""	""	""	""	"405560216"	"71719688"	""	""	"CHEMBL2304034"	""	""	""	""	"(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(S)-carboxy-(3,4-dihydroxyphenyl)methoxy]iminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefetecol"	"GR-69153|GR-69153X|GR69153"	"OC(=O)[C@H](c1ccc(c(c1)O)O)O/N=C(\c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC=C2C(=O)O"	"ILZCDOYRDFDUPN-UITOYEBDSA-N"	"InChI=1S/C20H17N5O9S2/c21-20-22-8(6-36-20)12(24-34-14(19(32)33)7-1-2-10(26)11(27)5-7)15(28)23-13-16(29)25-9(18(30)31)3-4-35-17(13)25/h1-3,5-6,13-14,17,26-27H,4H2,(H2,21,22)(H,23,28)(H,30,31)(H,32,33)/b24-12+/t13-,14+,17-/m1/s1"	""	""	"yes"
"10776"	"cefiderocol"	""	"Synthetic organic"	"yes"	""	""	""	"405560217"	"77843966"	""	""	"CHEMBL3989974"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"	"cefiderocol"	"compound 3 [PMID: 29960205]|Fetcroja&reg;|Fetroja&reg;|GSK-2696266|GSK2696266|RSC 649266|RSC-649266|RSC649266|S-649266"	"O=C1[C@@H](NC(=O)/C(=N\OC(C(=O)O)(C)C)/c2csc(n2)N)[C@@H]2N1C(=C(CS2)C[N+]1(CCCC1)CCNC(=O)c1ccc(c(c1Cl)O)O)C(=O)[O-]"	"DBPPRLRVDVJOCL-FQRUVTKNSA-N"	"InChI=1S/C30H34ClN7O10S2/c1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31/h5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47)/t20-,26-/m1/s1"	""	""	"yes"
"14349"	"cefilavancin"	""	"Synthetic organic"	""	""	""	""	"523352141"	"76960417"	""	""	"CHEMBL4297645"	""	""	""	""	""	"cefilavancin"	"TD-1792"	"C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C%10=CC(=C(O4)C=C%10)Cl)O)NC7=O)C(=O)NCCCO/N=C(/C%11=C(SC(=N%11)N)Cl)\C(=O)N[C@H]%12[C@@H]%13N(C%12=O)C(=C(CS%13)C[N+]%14=CC=CC=C%14)C(=O)[O-])CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O"	"OGUAFUAJSPORAH-KHCCTVBNSA-N"	"InChI=1S/C87H95Cl3N16O28S2/c1-33(2)20-45(94-5)74(117)100-62-66(112)36-11-14-49(43(88)22-36)130-51-24-38-25-52(70(51)134-85-71(69(115)68(114)53(31-107)132-85)133-55-29-87(4,93)72(116)34(3)129-55)131-50-15-12-37(23-44(50)89)67(113)63-81(124)99-59(42-26-40(108)27-48(110)56(42)41-21-35(10-13-47(41)109)57(77(120)101-63)98-78(121)58(38)97-75(118)46(28-54(91)111)96-80(62)123)76(119)95-16-9-19-128-104-61(60-73(90)136-86(92)103-60)79(122)102-64-82(125)106-65(84(126)127)39(32-135-83(64)106)30-105-17-7-6-8-18-105/h6-8,10-15,17-18,21-27,33-34,45-46,53,55,57-59,62-64,66-69,71-72,83,85,94,107,112-116H,9,16,19-20,28-32,93H2,1-5H3,(H15-,91,92,95,96,97,98,99,100,101,102,103,104,108,109,110,111,117,118,119,120,121,122,123,124,126,127)/t34-,45+,46-,53+,55-,57+,58+,59-,62+,63-,64+,66+,67+,68+,69-,71+,72+,83+,85-,87-/m0/s1"	""	""	"yes"
"10898"	"cefixime"	""	"Synthetic organic"	"yes"	""	""	""	"405560339"	"5362065"	""	""	"CHEMBL1541"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefixime"	"(E)-Cefixime|Cefspan&reg;|CFIX|FK-027|FR-17027|Suprax&reg;"	"Nc1nc(cs1)/C(=N/OCC(=O)O)/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C=C"	"OKBVVJOGVLARMR-QSWIMTSFSA-N"	"InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1"	""	""	"yes"
"10777"	"cefluprenam"	""	"Synthetic organic"	""	""	""	""	"405560218"	"6536774"	""	""	"CHEMBL2074822"	""	""	""	""	"(6R,7R)-3-[(E)-3-[(2-amino-2-oxoethyl)-ethyl-methylazaniumyl]prop-1-enyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"	"cefluprenam"	"E-1077|E1077"	"FCO/N=C(/c1nsc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])/C=C/C[N+](CC(=O)N)(CC)C"	"XAKKNLNAJBNLPC-MAYKBZFQSA-N"	"InChI=1S/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/b5-4+,26-12-/t13-,18-,29?/m1/s1"	""	""	"yes"
"10778"	"cefmatilen"	""	"Synthetic organic"	""	""	""	""	"405560219"	"6918231"	""	""	""	""	""	""	""	"(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefmatilen"	"S-1090|S1090"	"Nc1nc(cs1)/C(=N\O)/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)SCSc1cn[nH]n1"	"UEQVTKSAEXANEZ-DKQCJYJNSA-N"	"InChI=1S/C15H14N8O5S4/c16-15-18-5(2-30-15)8(21-28)11(24)19-9-12(25)23-10(14(26)27)6(3-29-13(9)23)31-4-32-7-1-17-22-20-7/h1-2,9,13,28H,3-4H2,(H2,16,18)(H,19,24)(H,26,27)(H,17,20,22)/b21-8+/t9-,13-/m1/s1"	""	""	"yes"
"12024"	"cefmenoxime"	""	"Synthetic organic"	"yes"	""	""	""	"464244165"	"9570757"	""	""	"CHEMBL1201224"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefmenoxime"	"A-50912|Abbott 50192|Bestron&reg;|Cefmax&reg;|SCE-1365"	"Cn1c(nnn1)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c2csc(n2)N)SC1)C(=O)O"	"HJJDBAOLQAWBMH-YCRCPZNHSA-N"	"InChI=1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b21-8-/t9-,13-/m1/s1"	""	""	"yes"
"12215"	"cefmetazole"	""	"Synthetic organic"	"yes"	""	""	""	"472319335"	"42008"	""	""	"CHEMBL1201195"	""	""	""	""	"(6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefmetazole"	"CS-1170|U-72791|Zefazone&reg;"	"Cn1c(nnn1)SCC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)CSCC#N)OC)SC1)C(=O)O"	"SNBUBQHDYVFSQF-HIFRSBDPSA-N"	"InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1"	""	""	"yes"
"12255"	"cefminox"	""	"Synthetic organic"	""	""	""	""	"473153843"	"71141"	""	""	"CHEMBL1276342"	""	""	""	""	"(6R,7S)-7-[[2-[(2S)-2-amino-3-hydroxy-3-oxopropyl]sulfanylacetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefminox"	"MT 141"	"Cn1c(nnn1)SCC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)CSC[C@H](C(=O)O)N)OC)SC1)C(=O)O"	"JSDXOWVAHXDYCU-VXSYNFHWSA-N"	"InChI=1S/C16H21N7O7S3/c1-22-15(19-20-21-22)33-4-7-3-32-14-16(30-2,13(29)23(14)10(7)12(27)28)18-9(24)6-31-5-8(17)11(25)26/h8,14H,3-6,17H2,1-2H3,(H,18,24)(H,25,26)(H,27,28)/t8-,14-,16+/m1/s1"	""	""	"yes"
"12032"	"cefodizime"	""	"Synthetic organic"	""	""	""	""	"464244173"	"5361871"	""	""	"CHEMBL2303613"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefodizime"	"HR 221"	"Cc1c(sc(n1)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c2csc(n2)N)SC1)C(=O)O)CC(=O)O"	"XDZKBRJLTGRPSS-BGZQYGJUSA-N"	"InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1"	""	""	"yes"
"12217"	"cefonicid"	""	"Synthetic organic"	"yes"	""	""	""	"472319337"	"43594"	""	""	"CHEMBL1601"	""	""	""	""	"(6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-3-[[1-(sulfomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefonicid"	"Monocid&reg;|SK&F 75073"	"C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)O)C(=O)O)CSc1nnnn1CS(=O)(=O)O"	"DYAIAHUQIPBDIP-AXAPSJFSSA-N"	"InChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1"	""	""	"yes"
"12025"	"cefoperazone"	""	"Synthetic organic"	"yes"	""	""	""	"464244166"	"44187"	""	""	"CHEMBL507674"	""	""	""	""	"(6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefoperazone"	"Cefobid&reg;|T-1551"	"CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c1ccc(cc1)O)C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)CSc1nnnn1C)C(=O)O"	"GCFBRXLSHGKWDP-XCGNWRKASA-N"	"InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1"	""	""	"yes"
"12218"	"ceforanide"	""	"Synthetic organic"	"yes"	""	""	""	"472319338"	"43507"	""	""	"CHEMBL1201046"	""	""	""	""	"(6R,7R)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"ceforanide"	"BL-S786|Precef&reg;"	"C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc1ccccc1CN)C(=O)O)CSc1nnnn1CC(=O)O"	"SLAYUXIURFNXPG-CRAIPNDOSA-N"	"InChI=1S/C20H21N7O6S2/c21-6-11-4-2-1-3-10(11)5-13(28)22-15-17(31)27-16(19(32)33)12(8-34-18(15)27)9-35-20-23-24-25-26(20)7-14(29)30/h1-4,15,18H,5-9,21H2,(H,22,28)(H,29,30)(H,32,33)/t15-,18-/m1/s1"	""	""	"yes"
"12034"	"cefoselis"	""	"Synthetic organic"	"yes"	""	""	""	"464244175"	"5748845"	""	""	"CHEMBL2105940"	""	""	""	""	"(6R,7R)-3-[[3-amino-2-(2-hydroxyethyl)pyrazol-1-ium-1-yl]methyl]-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"	"cefoselis"	"FK-037|Wincef&reg;"	"CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C[n+]1ccc(n1CCO)N)C(=O)[O-]"	"BHXLLRXDAYEMPP-SBGRAJFYSA-N"	"InChI=1S/C19H22N8O6S2/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28/h2-3,8,13,17,20,28H,4-7H2,1H3,(H4,21,22,23,29,31,32)/b24-12-/t13-,17-/m1/s1"	""	""	"yes"
"10893"	"cefotaxime"	""	"Synthetic organic"	"yes"	""	""	""	"405560334"	"5742673"	""	""	"CHEMBL1730"	""	""	""	""	"(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefotaxime"	"Claforan&reg;|Ru-24756"	"CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C"	"GPRBEKHLDVQUJE-QSWIMTSFSA-N"	"InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1"	""	""	"yes"
"10936"	"cefotetan"	""	"Synthetic organic"	"yes"	""	""	""	"405560377"	"53025"	""	""	"CHEMBL474579"	""	""	""	""	"(6R,7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefotetan"	"Apatef&reg;|Cefotan&reg;|ICI-156834|ICI156834"	"CO[C@@]1(NC(=O)C2SC(=C(C(=O)O)C(=O)N)S2)C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C"	"SRZNHPXWXCNNDU-RHBCBLIFSA-N"	"InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/t13?,15-,17+/m1/s1"	""	""	"yes"
"12254"	"cefotiam"	""	"Synthetic organic"	""	""	""	""	"473153842"	"43708"	""	""	"CHEMBL1296"	""	""	""	""	"(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefotiam"	"SCE 963"	"CN(C)CCn1c(nnn1)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc2csc(n2)N)SC1)C(=O)O"	"QYQDKDWGWDOFFU-IUODEOHRSA-N"	"InChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/t12-,15-/m1/s1"	""	""	"yes"
"13654"	"cefovecin"	""	"Synthetic organic"	""	""	""	""	"507750288"	"6336480"	""	""	""	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[(2S)-oxolan-2-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefovecin"	"Convenia&reg; (veterinary)"	"CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)[C@@H]4CCCO4)C(=O)O"	"ZJGQFXVQDVCVOK-QFKLAVHZSA-N"	"InChI=1S/C17H19N5O6S2/c1-27-21-10(8-6-30-17(18)19-8)13(23)20-11-14(24)22-12(16(25)26)7(5-29-15(11)22)9-3-2-4-28-9/h6,9,11,15H,2-5H2,1H3,(H2,18,19)(H,20,23)(H,25,26)/b21-10-/t9-,11+,15+/m0/s1"	""	""	"yes"
"10937"	"cefoxitin"	""	"Synthetic organic"	"yes"	""	""	""	"405560378"	"441199"	""	""	"CHEMBL996"	""	""	""	""	"(6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefoxitin"	"Cenomycin&reg;|CFX|Mefoxin&reg;|MK-306|MK306"	"CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)N"	"WZOZEZRFJCJXNZ-ZBFHGGJFSA-N"	"InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1"	""	""	"yes"
"12054"	"cefozopran"	""	"Synthetic organic"	"yes"	""	""	""	"472319176"	"9571080"	""	""	"CHEMBL1276663"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[2,3-f]pyridazin-4-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"	"cefozopran"	"SCE-2787"	"CO/N=C(/c1nsc(n1)N)\C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C[n+]1c2cccnn2cc1)C(=O)[O-]"	"QDUIJCOKQCCXQY-WHJQOFBOSA-N"	"InChI=1S/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/b24-11-/t12-,17-/m1/s1"	""	""	"yes"
"10779"	"cefpimizole"	""	"Synthetic organic"	""	""	""	""	"405560220"	"68597"	""	""	"CHEMBL2103902"	""	""	""	""	"2-[1-[[(6R,7R)-2-carboxy-7-[[(2R)-2-[(5-carboxy-1H-imidazole-4-carbonyl)amino]-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridin-1-ium-4-yl]ethanesulfonate"	"cefpimizole"	"CPIZ|U 63196E|U-63,196|U-63196E"	"O=C([C@@H](c1ccccc1)NC(=O)c1nc[nH]c1C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1ccc(cc1)CCS(=O)(=O)[O-]"	"LNZMRLHZGOBKAN-KAWPREARSA-N"	"InChI=1S/C28H26N6O10S2/c35-23(18(16-4-2-1-3-5-16)31-24(36)19-20(27(38)39)30-14-29-19)32-21-25(37)34-22(28(40)41)17(13-45-26(21)34)12-33-9-6-15(7-10-33)8-11-46(42,43)44/h1-7,9-10,14,18,21,26H,8,11-13H2,(H5-,29,30,31,32,35,36,38,39,40,41,42,43,44)/t18-,21-,26-/m1/s1"	""	""	"yes"
"12027"	"cefpiramide"	""	"Synthetic organic"	"yes"	""	""	""	"464244168"	"636405"	""	""	"CHEMBL1201204"	""	""	""	""	"(6R,7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefpiramide"	"SM-1652|WY-44635"	"Cc1cc(=O)c(c[nH]1)C(=O)N[C@H](c1ccc(cc1)O)C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)CSc1nnnn1C)C(=O)O"	"PWAUCHMQEXVFJR-PMAPCBKXSA-N"	"InChI=1S/C25H24N8O7S2/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40)/t17-,18-,23-/m1/s1"	""	""	"yes"
"12033"	"cefpirome"	""	"Synthetic organic"	"yes"	""	""	""	"464244174"	"5479539"	""	""	"CHEMBL65794"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"	"cefpirome"	"HR 810|Romecef&reg;"	"CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C[n+]1cccc2c1CCC2)C(=O)[O-]"	"DKOQGJHPHLTOJR-WHRDSVKCSA-N"	"InChI=1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/b26-15-/t16-,20-/m1/s1"	""	""	"yes"
"10780"	"cefpodoxime"	""	"Synthetic organic"	"yes"	""	""	""	"405560221"	"6335986"	""	""	"CHEMBL1672"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefpodoxime"	"RU-51746|Vantin&reg;"	"CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC"	"WYUSVOMTXWRGEK-HBWVYFAYSA-N"	"InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1"	""	""	"yes"
"12219"	"cefprozil"	""	"Synthetic organic"	"yes"	""	""	""	"472319339"	"62977"	""	""	"CHEMBL3301800"	""	""	""	""	"(6R,7R)-7-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-8-oxo-3-(prop-1-en-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefprozil"	"BMY-28100|Cefzil&reg;"	"C(=O)(O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1)C=CC"	"WDLWHQDACQUCJR-PBFPGSCMSA-N"	"InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1"	""	""	"yes"
"13622"	"cefquinome"	""	"Synthetic organic"	""	""	""	""	"504705441"	"5464355"	""	""	"CHEMBL1631107"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"	"cefquinome"	"Cobactan&reg; (veterinary)|HR 111V"	"CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCCC5)C(=O)[O-]"	"YWKJNRNSJKEFMK-PQFQYKRASA-N"	"InChI=1S/C23H24N6O5S2/c1-34-27-16(14-11-36-23(24)25-14)19(30)26-17-20(31)29-18(22(32)33)13(10-35-21(17)29)9-28-8-4-6-12-5-2-3-7-15(12)28/h4,6,8,11,17,21H,2-3,5,7,9-10H2,1H3,(H3-,24,25,26,30,32,33)/b27-16-/t17-,21-/m1/s1"	""	""	"yes"
"13619"	"cefroxadine"	""	"Synthetic organic"	"yes"	""	""	""	"504705438"	"5284529"	""	""	"CHEMBL3186538"	""	""	""	""	"(6R,7R)-7-[[(2R)-2-amino-2-(1-cyclohexa-1,4-dienyl)acetyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefroxadine"	"CGP 9000|CGP-9000|Oraspor&reg;"	"COC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O"	"RDMOROXKXONCAL-UEKVPHQBSA-N"	"InChI=1S/C16H19N3O5S/c1-24-9-7-25-15-11(14(21)19(15)12(9)16(22)23)18-13(20)10(17)8-5-3-2-4-6-8/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1"	""	""	"yes"
"10783"	"cefsulodin"	""	"Synthetic organic"	""	""	""	""	"405560224"	"656575"	""	""	""	""	""	""	""	"(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"	"cefsulodin"	"Cefonomil&reg;|CGP-7174-E|CGP7174/E"	"O=C([C@H](S(=O)(=O)O)c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc(cc1)C(=O)N"	"SYLKGLMBLAAGSC-QLVMHMETSA-N"	"InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/t15-,17-,21-/m1/s1"	""	""	"yes"
"10899"	"ceftaroline fosamil"	""	"Synthetic organic"	"yes"	""	""	""	"405560340"	"9852981"	""	""	"CHEMBL501122"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"	"ceftaroline fosamil"	"PPI-0903|TAK-599|Teflaro&reg;|Zinforo&reg;"	"CCO/N=C(/c1nsc(n1)NP(=O)(O)O)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])Sc1scc(n1)c1cc[n+](cc1)C"	"ZCCUWMICIWSJIX-NQJJCJBVSA-N"	"InChI=1S/C22H21N8O8PS4/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37)/b26-13-/t14-,19-/m1/s1"	""	""	"yes"
"10762"	"ceftazidime"	""	"Synthetic organic"	"yes"	""	""	""	"405560203"	"5481173"	""	""	"CHEMBL44354"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"	"ceftazidime"	"CAZ|Fortaz&reg;|Fortum&reg;|GR 20263|GR-20263|GR20263|LY-139381|LY139381|Pentacef&reg;|Tazicef&reg;"	"O=C1[C@@H](NC(=O)/C(=N\OC(C(=O)O)(C)C)/c2csc(n2)N)[C@@H]2N1C(=C(CS2)C[n+]1ccccc1)C(=O)[O-]"	"ORFOPKXBNMVMKC-DWVKKRMSSA-N"	"InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1"	""	""	"yes"
"11051"	"cefteram"	""	"Synthetic organic"	"yes"	""	""	""	"405560492"	"6537431"	""	""	"CHEMBL2105953"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefteram"	"cefterame|ceftetrame|CFTM|Ro 19-5247|T-2525"	"CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)Cn1nnc(n1)C)/c1csc(n1)N"	"XSPUSVIQHBDITA-RKYNPMAHSA-N"	"InChI=1S/C16H17N9O5S2/c1-6-20-23-24(21-6)3-7-4-31-14-10(13(27)25(14)11(7)15(28)29)19-12(26)9(22-30-2)8-5-32-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b22-9-/t10-,14-/m1/s1"	""	""	"yes"
"12259"	"ceftezole"	""	"Synthetic organic"	""	""	""	""	"473153847"	"65755"	""	""	"CHEMBL1697829"	""	""	""	""	"(6R,7R)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"ceftezole"	"ceftezol|FR10123"	"C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)Cn1cnnn1)C(=O)O)CSc1nncs1"	"DZMVCVMFETWNIU-LDYMZIIASA-N"	"InChI=1S/C13H12N8O4S3/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25)/t8-,11-/m1/s1"	""	""	"yes"
"12029"	"ceftibuten"	""	"Synthetic organic"	"yes"	""	""	""	"464244170"	"5282242"	""	""	"CHEMBL1605"	""	""	""	""	"(6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"ceftibuten"	"7432-S|Cedax&reg;|SCH 39720"	"C1C=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C\CC(=O)O)/c1csc(n1)N)C(=O)O"	"UNJFKXSSGBWRBZ-BJCIPQKHSA-N"	"InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1"	""	""	"yes"
"13653"	"ceftiofur"	""	"Synthetic organic"	""	""	""	""	"507750287"	"6328657"	""	""	"CHEMBL222913"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"ceftiofur"	"Naxcel&reg; (veterinary)"	"CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)O"	"ZBHXIWJRIFEVQY-IHMPYVIRSA-N"	"InChI=1S/C19H17N5O7S3/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28)/b23-11-/t12-,16-/m1/s1"	""	""	"yes"
"10784"	"ceftiolene"	""	"Synthetic organic"	""	""	""	""	"405560225"	"6537430"	""	""	"CHEMBL2106102"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-2-[[5,6-dioxo-4-(2-oxoethyl)-1H-1,2,4-triazin-3-yl]sulfanyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"ceftiolene"	"42980RP|cefatiolene|RP 42,980|RP 42980|RP-42980|RP42980"	"O=CCn1c(S/C=C/C2=C(C(=O)O)N3[C@H](SC2)[C@@H](C3=O)NC(=O)/C(=N\OC)/c2csc(n2)N)n[nH]c(=O)c1=O"	"WJXAHFZIHLTPFR-JLRJEBFFSA-N"	"InChI=1S/C20H18N8O8S3/c1-36-26-10(9-7-39-19(21)22-9)13(30)23-11-15(32)28-12(18(34)35)8(6-38-17(11)28)2-5-37-20-25-24-14(31)16(33)27(20)3-4-29/h2,4-5,7,11,17H,3,6H2,1H3,(H2,21,22)(H,23,30)(H,24,31)(H,34,35)/b5-2+,26-10-/t11-,17-/m1/s1"	""	""	"yes"
"10785"	"ceftizoxime"	""	"Synthetic organic"	"yes"	"yes"	""	""	"405560226"	"6533629"	""	""	"CHEMBL528"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"ceftizoxime"	"Cefizox&reg;|compound 22 {PMID: 2342058]|Epocelin&reg;|FK-749|FK749|FR-13749|FR13749|SK&F 88373-Z"	"CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(=O)O"	"NNULBSISHYWZJU-LLKWHZGFSA-N"	"InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1"	""	""	"yes"
"10786"	"ceftizoxime alapivoxil"	""	"Synthetic organic"	""	""	""	""	"405560227"	"9578661"	""	""	"CHEMBL2106058"	""	""	""	""	"2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"	"ceftizoxime alapivoxil"	"AS-924|AS924|KY-020|KY020"	"CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC=C2C(=O)OCOC(=O)C(C)(C)C)/c1csc(n1)NC(=O)[C@@H](N)C"	"VOPANQNVVCPHQR-IVVGYLHBSA-N"	"InChI=1S/C22H28N6O8S2/c1-10(23)15(29)26-21-24-11(8-38-21)13(27-34-5)16(30)25-14-17(31)28-12(6-7-37-18(14)28)19(32)35-9-36-20(33)22(2,3)4/h6,8,10,14,18H,7,9,23H2,1-5H3,(H,25,30)(H,24,26,29)/b27-13-/t10-,14+,18+/m0/s1"	""	""	"yes"
"10787"	"ceftobiprole"	""	"Synthetic organic"	"yes"	""	""	""	"405560228"	"135413542"	""	""	"CHEMBL520642"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-[(E)-[2-oxo-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"ceftobiprole"	"BAL-9141|BAL9141|BAL9141-000|BAL9141000|Ro-63-9141|Ro-639141|Zeftera&reg;|Zevtera&reg;"	"O/N=C(/c1nsc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)/C=C/1\CCN(C1=O)[C@H]1CNCC1"	"VOAZJEPQLGBXGO-SDAWRPRTSA-N"	"InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10,12,18,22,34H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/b8-5+,25-11-/t10-,12-,18-/m1/s1"	""	""	"yes"
"10788"	"ceftolozane"	""	"Synthetic organic"	"yes"	""	""	""	"405560229"	"53234134"	""	""	""	""	""	""	""	"(6R,7R)-3-[[3-amino-4-(2-aminoethylcarbamoylamino)-2-methylpyrazol-1-ium-1-yl]methyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"	"ceftolozane"	"CXA-101|CXA101|FR-264205|FR264205|Zerbaxa&reg; (ceftolozane + tazobactam)"	"NCCNC(=O)Nc1c[n+](n(c1N)C)CC1=C(C(=O)[O-])N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N\OC(C(=O)O)(C)C)/c1nsc(n1)N"	"JHFNIHVVXRKLEF-DCZLAGFPSA-N"	"InChI=1S/C23H30N12O8S2/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42)/b31-11-/t12-,18-/m1/s1"	""	""	"yes"
"5326"	"ceftriaxone"	""	"Synthetic organic"	"yes"	""	""	""	"178101992"	"5479530"	""	""	"CHEMBL161"	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"ceftriaxone"	"Rocephin&reg;"	"CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nc(=O)c(=O)[nH]n1C"	"VAAUVRVFOQPIGI-SPQHTLEESA-N"	"InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1"	""	""	"yes"
"10900"	"cefuroxime"	""	"Synthetic organic"	"yes"	""	""	""	"405560341"	"5479529"	""	""	"CHEMBL1436"	""	""	""	""	"(6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefuroxime"	"Ceftin&reg;|CXM|Kefurox&reg;|Zinacef&reg;"	"CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)N)/c1ccco1"	"JFPVXVDWJQMJEE-IZRZKJBUSA-N"	"InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1"	""	""	"yes"
"10386"	"celastrol"	""	"Natural product"	""	""	""	""	"384403665"	"122724"	""	""	""	""	""	""	""	"(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid"	""	"compound 2 [PMID: 28621943]"	"O=C1C=C2C(=CC=C3[C@@]2(C)CC[C@@]2([C@]3(C)CC[C@@]3([C@H]2C[C@@](C)(CC3)C(=O)O)C)C)C(=C1O)C"	"KQJSQWZMSAGSHN-JJWQIEBTSA-N"	"InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1"	"yes"	""	""
"2892"	"celecoxib"	""	"Synthetic organic"	"yes"	""	""	""	"178100241"	"2662"	""	""	"CHEMBL118"	""	""	""	""	"4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide"	"celecoxib"	"Celecox&reg;|Elyxyb&reg; (DFN-15; oral solution)|Onsenal&reg;|SC-58635|SC58635"	"Cc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F"	"RZEKVGVHFLEQIL-UHFFFAOYSA-N"	"InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)"	"yes"	""	""
"9064"	"celiprolol"	""	"Synthetic organic"	"yes"	""	""	""	"315661149"	"2663"	""	""	"CHEMBL27810"	""	""	""	""	"3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea"	"celiprolol"	"Celectol&reg;|REV 5320|Selectol&reg;|ST-1396|ST1396"	"CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC"	"JOATXPAWOHTVSZ-UHFFFAOYSA-N"	"InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)"	""	""	""
"13454"	"cellular communication network factor 3"	"Human"	"Peptide"	""	""	""	""	"500839864"	"0"	"P48745"	"ENSG00000136999"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14708"	"cemdisiran"	""	"Nucleic acid"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"cemdisiran"	"AD-62643|ALN-62643|ALN-CC5"	""	""	""	"yes"	""	""
"13726"	"cemdomespib"	""	"Synthetic organic"	""	""	""	""	"507750360"	"60148493"	""	""	"CHEMBL2159227"	""	""	""	""	"N-[2-[4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide"	"cemdomespib"	"BIIB-143|BIIB143|compound 13b [PMID: 22702513]|compound 3 [PMID: 35905686]|KU-596|KU596|RTA 901|RTA-901"	"CC(=O)NCCC1=C(C=C(C=C1)O[C@H]2[C@@H]([C@@H]([C@H](C(O2)(C)C)OC)O)O)C3=CC(=CC=C3)F"	"PDBWOHBMJQOBHL-WBADGQHESA-N"	"InChI=1S/C24H30FNO6/c1-14(27)26-11-10-15-8-9-18(13-19(15)16-6-5-7-17(25)12-16)31-23-21(29)20(28)22(30-4)24(2,3)32-23/h5-9,12-13,20-23,28-29H,10-11H2,1-4H3,(H,26,27)/t20-,21+,22+,23+/m0/s1"	""	""	""
"10090"	"cemiplimab"	""	"Antibody"	"yes"	""	""	""	"381118800"	"0"	""	""	""	""	""	""	""	""	"cemiplimab"	"cemiplimab-rwlc|Libtayo&reg;|REGN-2810|REGN2810|SAR-439684|SAR439684"	""	""	""	"yes"	""	""
"13487"	"cenacitinib"	""	"Synthetic organic"	""	""	""	""	"500839897"	"156338076"	""	""	""	""	""	""	""	"1-[(1R,2S)-2-fluorocyclopropyl]-3-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]urea"	"cenacitinib"	"compound 5 [US20210139486]"	"FC=1C=C(C2=C(OCCO2)C1)NC3=NC=4N(C(=C3)NC)N=CC4NC(=O)N[C@H]5[C@H](C5)F"	"WMXUGUJEUBVMSQ-WDEREUQCSA-N"	"InChI=1S/C19H19F2N7O3/c1-22-16-7-15(24-12-4-9(20)5-14-17(12)31-3-2-30-14)27-18-13(8-23-28(16)18)26-19(29)25-11-6-10(11)21/h4-5,7-8,10-11,22H,2-3,6H2,1H3,(H,24,27)(H2,25,26,29)/t10-,11+/m0/s1"	""	""	""
"9066"	"cenderitide"	""	"Peptide"	""	""	""	""	"315661151"	"155817506"	""	""	"CHEMBL2108721"	""	""	""	""	""	"cenderitide"	"CD-NP"	"CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O"	"YZEJNKFJIYNYMP-MGAVOHMASA-N"	"InChI=1S/C158H264N48O51S3/c1-17-82(12)123(201-132(233)90(37-26-47-169-157(164)165)187-138(239)100(61-121(222)223)193-137(238)97(58-81(10)11)190-129(230)88(35-22-24-45-160)185-134(235)95(56-79(6)7)180-116(216)64-173-127(228)98(59-86-32-19-18-20-33-86)192-144(245)108(75-258)182-118(218)66-171-125(226)87(34-21-23-44-159)184-141(242)105(72-210)197-135(236)94(55-78(4)5)178-114(214)63-161)149(250)175-68-117(217)181-103(70-208)140(241)188-91(43-53-260-16)131(232)196-102(69-207)128(229)174-65-115(215)179-93(54-77(2)3)126(227)172-67-119(219)183-109(76-259)154(255)206-52-31-42-113(206)148(249)198-106(73-211)142(243)191-96(57-80(8)9)136(237)186-89(36-25-46-168-156(162)163)130(231)195-101(62-122(224)225)153(254)205-51-30-40-111(205)145(246)189-92(38-27-48-170-158(166)167)152(253)204-50-29-41-112(204)146(247)194-99(60-120(220)221)133(234)176-83(13)151(252)203-49-28-39-110(203)147(248)199-107(74-212)143(244)202-124(85(15)213)150(251)200-104(71-209)139(240)177-84(14)155(256)257/h18-20,32-33,77-85,87-113,123-124,207-213,258-259H,17,21-31,34-76,159-161H2,1-16H3,(H,171,226)(H,172,227)(H,173,228)(H,174,229)(H,175,250)(H,176,234)(H,177,240)(H,178,214)(H,179,215)(H,180,216)(H,181,217)(H,182,218)(H,183,219)(H,184,242)(H,185,235)(H,186,237)(H,187,239)(H,188,241)(H,189,246)(H,190,230)(H,191,243)(H,192,245)(H,193,238)(H,194,247)(H,195,231)(H,196,232)(H,197,236)(H,198,249)(H,199,248)(H,200,251)(H,201,233)(H,202,244)(H,220,221)(H,222,223)(H,224,225)(H,256,257)(H4,162,163,168)(H4,164,165,169)(H4,166,167,170)/t82-,83-,84-,85+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,123-,124-/m0/s1"	""	""	""
"9824"	"cenerimod"	""	"Synthetic organic"	""	""	""	""	"354702295"	"49871973"	""	""	""	""	""	""	""	"(2S)-3-[4-[5-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]propane-1,2-diol"	""	"ACT-334441"	"OC[C@@H](COc1c(C)cc(cc1CC)c1noc(n1)c1cc(OC)nc(c1)C1CCCC1)O"	"KJKKMMMRWISKRF-FQEVSTJZSA-N"	"InChI=1S/C25H31N3O5/c1-4-16-10-18(9-15(2)23(16)32-14-20(30)13-29)24-27-25(33-28-24)19-11-21(17-7-5-6-8-17)26-22(12-19)31-3/h9-12,17,20,29-30H,4-8,13-14H2,1-3H3/t20-/m0/s1"	"yes"	""	""
"8270"	"cenersen"	""	"Nucleic acid"	""	""	""	""	"252166482"	"168325608"	""	""	"CHEMBL2108280"	""	""	""	""	"2'-deoxy-P-thio-cytidylyl-(3'->5')-2'-deoxy-P-thio-guanylyl-(3'->5')-2'-deoxy-P-thio-guanylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-2'-deoxy-P-thio-adenylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-2'-deoxy-P-thio-guanylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-2'-deoxy-P-thio-guanylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-O2'-methyl-P-thio-adenylyl-(3'->5')-O2'-methyl-P-thio-cytidylyl-(3'->5')-O2'-methyl-cytidine"	"cenersen"	"Aezea&reg; (proposed proprietary name)|EL625"	"CC1=CN(C(=O)N=C1O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC%10CC(OC%10COP(=S)(O)OC%11CC(OC%11COP(=S)(O)OC%12CC(OC%12COP(=S)(O)OC%13CC(OC%13CO)N%14C=CC(=N)N=C%14O)N%15C=NC%16=C%15NC(=N)N=C%16O)N%17C=NC%18=C%17NC(=N)N=C%18O)N%19C=CC(=N)N=C%19O)N%20C=NC%21=C(N=CN=C%21%20)N)N%22C=C(C(=NC%22=O)O)C)N%23C=NC%24=C%23NC(=N)N=C%24O)N%25C=C(C(=NC%25=O)O)C)N%26C=CC(=N)N=C%26O)N%27C=C(C(=NC%27=O)O)C)N%28C=CC(=N)N=C%28O)OP(=S)(O)OCC%29C(CC(O%29)N%30C=CC(=N)N=C%30O)OP(=S)(O)OCC%31C(CC(O%31)N%32C=C(C(=NC%32=O)O)C)OP(=S)(O)OCC%33C(CC(O%33)N%34C=C(C(=NC%34=O)O)C)OP(=S)(O)OCC%35C(CC(O%35)N%36C=NC%37=C%36NC(=N)N=C%37O)OP(=S)(O)OCC%38C(CC(O%38)N%39C=CC(=N)N=C%39O)OP(=S)(O)OCC%40C(C(C(O%40)N%41C=NC%42=C(N=CN=C%42%41)N)OC)OP(=S)(O)OCC%43C(C(C(O%43)N%44C=CC(=N)N=C%44O)OC)OP(=S)(O)OCC%45C(C(C(O%45)N%46C=CC(=N)N=C%46O)OC)O"	"UTNSIDJKCKLZLN-UHFFFAOYSA-N"	"InChI=1S/C195H253N66O106P19S19/c1-77-43-250(190(282)236-165(77)264)134-32-89(107(336-134)56-317-370(290,389)351-85-28-130(244-20-12-122(198)222-184(244)276)332-103(85)52-313-375(295,394)357-91-34-136(252-45-79(3)167(266)238-192(252)284)340-111(91)60-321-382(302,401)364-99-42-144(260-75-219-150-164(260)231-181(209)235-174(150)273)344-115(99)64-324-378(298,397)360-94-37-139(255-48-82(6)170(269)241-195(255)287)339-110(94)59-320-381(301,400)361-95-38-140(256-71-214-145-157(204)210-69-212-159(145)256)341-112(95)61-322-372(292,391)353-87-30-132(246-22-14-124(200)224-186(246)278)333-104(87)53-314-379(299,398)363-98-41-143(259-74-218-149-163(259)230-180(208)234-173(149)272)345-116(98)65-325-383(303,402)365-96-39-141(257-72-216-147-161(257)228-178(206)232-171(147)270)342-113(96)62-310-368(288,387)349-83-26-128(329-100(83)49-262)242-18-10-120(196)220-182(242)274)355-373(293,392)311-50-101-84(27-129(330-101)243-19-11-121(197)221-183(243)275)350-369(289,388)316-55-106-90(33-135(335-106)251-44-78(2)166(265)237-191(251)283)356-374(294,393)312-51-102-86(29-131(331-102)245-21-13-123(199)223-185(245)277)352-371(291,390)318-57-108-92(35-137(337-108)253-46-80(4)168(267)239-193(253)285)358-376(296,395)319-58-109-93(36-138(338-109)254-47-81(5)169(268)240-194(254)286)359-377(297,396)323-63-114-97(40-142(343-114)258-73-217-148-162(258)229-179(207)233-172(148)271)362-380(300,399)315-54-105-88(31-133(334-105)247-23-15-125(201)225-187(247)279)354-384(304,403)327-67-119-153(156(309-9)177(348-119)261-76-215-146-158(205)211-70-213-160(146)261)367-386(306,405)328-68-118-152(155(308-8)176(347-118)249-25-17-127(203)227-189(249)281)366-385(305,404)326-66-117-151(263)154(307-7)175(346-117)248-24-16-126(202)226-188(248)280/h10-25,43-48,69-76,83-119,128-144,151-156,175-177,262-263H,26-42,49-68H2,1-9H3,(H,288,387)(H,289,388)(H,290,389)(H,291,390)(H,292,391)(H,293,392)(H,294,393)(H,295,394)(H,296,395)(H,297,396)(H,298,397)(H,299,398)(H,300,399)(H,301,400)(H,302,401)(H,303,402)(H,304,403)(H,305,404)(H,306,405)(H2,196,220,274)(H2,197,221,275)(H2,198,222,276)(H2,199,223,277)(H2,200,224,278)(H2,201,225,279)(H2,202,226,280)(H2,203,227,281)(H2,204,210,212)(H2,205,211,213)(H,236,264,282)(H,237,265,283)(H,238,266,284)(H,239,267,285)(H,240,268,286)(H,241,269,287)(H3,206,228,232,270)(H3,207,229,233,271)(H3,208,230,234,272)(H3,209,231,235,273)"	""	""	""
"801"	"cenicriviroc"	""	"Synthetic organic"	""	""	""	""	"135651229"	"11285792"	""	""	"CHEMBL2110727"	""	""	""	""	"(5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide"	"cenicriviroc"	"TAK 652|TAK-652|TAK652|TBR-652"	"CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC"	"PNDKCRDVVKJPKG-WHERJAGFSA-N"	"InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1"	"yes"	""	""
"9927"	"cenisertib"	""	"Synthetic organic"	""	""	""	""	"363894221"	"11569967"	""	""	"CHEMBL1614709"	""	""	""	""	"(1S,2S,3R,4R)-3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide"	"cenisertib"	"AS-703569|AS703569|compound 2 [PMID: 22695126]|compound 60a [WO2005118544A2]|enantiomer E1 [WO2005118544A2]|R-763|R763"	"CN1CCN(CC1)c1ccc(cc1C)Nc1ncc(c(n1)N[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)N)C2)F"	"KSOVGRCOLZZTPF-QMKUDKLTSA-N"	"InChI=1S/C24H30FN7O/c1-14-11-17(5-6-19(14)32-9-7-31(2)8-10-32)28-24-27-13-18(25)23(30-24)29-21-16-4-3-15(12-16)20(21)22(26)33/h3-6,11,13,15-16,20-21H,7-10,12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)/t15-,16+,20+,21-/m1/s1"	""	""	""
"10773"	"cenobamate"	""	"Synthetic organic"	"yes"	""	""	""	"405560214"	"11962412"	""	""	"CHEMBL3989949"	""	""	""	""	"[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate"	"cenobamate"	"Ontozry&reg;|Xcopri&reg;|YKP-3089|YKP3089"	"NC(=O)O[C@H](c1ccccc1Cl)Cn1nncn1"	"GFHAXPJGXSQLPT-VIFPVBQESA-N"	"InChI=1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9-/m0/s1"	""	""	""
"14621"	"centanafadine"	""	"Synthetic organic"	"yes"	""	""	""	"530846869"	"16095349"	""	""	"CHEMBL3301621"	""	""	""	""	"(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane"	"centanafadine"	"DOV 216,419|DOV-216419|EB-1020|Simtriyo&reg;"	"[C@@]12([C@](C1)(CNC2)[H])C3=CC4=C(C=C3)C=CC=C4"	"HKHCSWPSUSWGLI-CABCVRRESA-N"	"InChI=1S/C15H15N/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15/h1-7,14,16H,8-10H2/t14-,15+/m1/s1"	""	""	""
"13844"	"centrinone B"	""	"Synthetic organic"	""	""	""	""	"513757529"	"118704753"	""	""	""	""	""	""	""	"2-[2-fluoro-4-[(2-fluoro-3-nitrophenyl)methylsulfonyl]phenyl]sulfanyl-5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine"	""	"Centrinone-B|LCR-323|LCR323"	"FC=1C([N+]([O-])=O)=CC=CC1CS(C2=CC(F)=C(SC3=NC(NC4=NNC(C)=C4)=C(OC)C(N5CCCCC5)=N3)C=C2)(=O)=O"	"UPZNTUYHCRQOIQ-UHFFFAOYSA-N"	"InChI=1S/C27H27F2N7O5S2/c1-16-13-22(34-33-16)30-25-24(41-2)26(35-11-4-3-5-12-35)32-27(31-25)42-21-10-9-18(14-19(21)28)43(39,40)15-17-7-6-8-20(23(17)29)36(37)38/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H2,30,31,32,33,34)"	""	""	""
"8189"	"CEP-11981"	""	"Synthetic organic"	""	""	""	""	"249565869"	"11751922"	""	""	"CHEMBL2010872"	""	""	""	""	""	""	"CEP 11981|CEP11981|compound 11b [PMID 22148921]"	"CC(Cn1c2ccc(cc2c2c1c1CCc3c(c1c1c2CNC1=O)cn(n3)C)Nc1ncccn1)C"	"AEULIVPVIDOLIN-UHFFFAOYSA-N"	"InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)"	""	""	""
"8173"	"CEP-1347"	""	"Synthetic organic"	""	""	""	""	"249565853"	"9917013"	""	""	"CHEMBL290352"	""	""	""	""	""	""	"CEP 1347|CEP1347|KT-7515|KT7515"	"CCSCc1ccc2c(c1)c1c3C(=O)NCc3c3c4c1n2[C@H]1C[C@]([C@](O1)(n4c1c3cc(cc1)CSCC)C)(O)C(=O)OC"	"SCMLRESZJCKCTC-KMYQRJGFSA-N"	"InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1"	""	""	""
"9387"	"CEP-33779"	""	"Synthetic organic"	""	""	""	""	"328083489"	"57336812"	""	""	""	""	""	""	""	"N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine"	""	"CEP33779|compound 29 [PMID: 22594690]"	"CN1CCN(CC1)c1cccc(c1)Nc1nn2c(n1)c(ccc2)c1ccc(cc1)S(=O)(=O)C"	"RFZKSQIFOZZIAQ-UHFFFAOYSA-N"	"InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)20-6-3-5-19(17-20)25-24-26-23-22(7-4-12-30(23)27-24)18-8-10-21(11-9-18)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)"	""	""	""
"9698"	"CEP-37440"	""	"Synthetic organic"	""	""	""	""	"348353657"	"71721648"	""	""	""	""	""	""	""	"2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]pyrimidin-4-yl]amino]-N-methylbenzamide"	""	"CEP37440|compound 27b [PMID: 27527804]"	"OCCN1CCN(CC1)[C@H]1CCCc2c(C1)ccc(c2OC)Nc1ncc(c(n1)Nc1ccccc1C(=O)NC)Cl"	"BCSHRERPHLTPEE-NRFANRHFSA-N"	"InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1"	""	""	""
"11953"	"ceperognastat"	""	"Synthetic organic"	""	""	""	""	"461663508"	"135260636"	""	""	""	""	""	""	""	"N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide"	"ceperognastat"	"LY-3372689|LY3372689"	"C[C@H]1C[C@H](CCN1Cc1c(F)nc(NC(=O)C)s1)OCc1noc(C)n1"	"FRVXHWNHGWUTQO-CABZTGNLSA-N"	"InChI=1S/C16H22FN5O3S/c1-9-6-12(24-8-14-19-11(3)25-21-14)4-5-22(9)7-13-15(17)20-16(26-13)18-10(2)23/h9,12H,4-8H2,1-3H3,(H,18,20,23)/t9-,12-/m0/s1"	""	""	""
"4832"	"cephalexin"	""	"Synthetic organic"	"yes"	""	""	""	"178101534"	"27447"	""	""	"CHEMBL1727"	""	""	""	""	"(6R,7R)-7-[(2R)-2-amino-2-phenylacetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefalexin"	"cefalexin|Ceporex&reg;|Keflex&reg;"	"N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C"	"ZAIPMKNFIOOWCQ-UEKVPHQBSA-N"	"InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1"	""	""	"yes"
"12330"	"cephalosporin P<sub>1</sub>"	""	"Natural product"	""	""	""	""	"479821121"	"3037114"	""	""	"CHEMBL3401949"	""	""	""	""	"(2Z)-2-[(3R,4S,5S,6R,7R,8S,9S,10R,13R,14S,16S)-6,16-diacetyloxy-3,7-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid"	""	"acremonic acid"	"C[C@@H]1[C@@H](CC[C@]2([C@H]1[C@H]([C@@H]([C@]1([C@H]2CC[C@@H]2[C@@]1(C[C@@H](/C/2=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)C)O)OC(=O)C)C)O"	"YJJWILCYIMMPAS-VALXSNPUSA-N"	"InChI=1S/C33H50O8/c1-17(2)10-9-11-21(30(38)39)26-22-12-13-25-31(6)15-14-23(36)18(3)27(31)28(41-20(5)35)29(37)33(25,8)32(22,7)16-24(26)40-19(4)34/h10,18,22-25,27-29,36-37H,9,11-16H2,1-8H3,(H,38,39)/b26-21-/t18-,22+,23-,24+,25+,27-,28-,29+,31-,32+,33-/m1/s1"	""	""	"yes"
"4830"	"cephradine"	""	"Synthetic organic"	"yes"	""	""	""	"178101532"	"38103"	""	""	"CHEMBL1604"	""	""	""	""	"(6R,7R)-7-[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"cefradine"	"cefradine|Infexin&reg;|Velocef&reg;"	"O=C([C@@H](C1=CCC=CC1)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C"	"RDLPVSKMFDYCOR-UEKVPHQBSA-N"	"InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1"	""	""	"yes"
"9390"	"ceralasertib"	""	"Synthetic organic"	""	""	""	""	"328083492"	"54761306"	""	""	""	""	""	""	""	"(R)-imino(methyl)(1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropyl)-λ6-sulfanone"	"ceralasertib"	"AZD-6738|AZD6738"	"C[C@@H]1COCCN1c1cc(nc(n1)c1ccnc2c1cc[nH]2)C1(CC1)[S@@](=O)(=N)C"	"OHUHVTCQTUDPIJ-JYCIKRDWSA-N"	"InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29-/m1/s1"	""	""	""
"14290"	"cerastecin D"	""	"Synthetic organic"	""	""	""	""	"521588930"	"170354409"	""	""	"CHEMBL5596438"	""	""	""	""	"5-[[3-[3-carboxy-4-[[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylamino]phenoxy]azetidin-1-yl]methyl]-2-[[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylamino]benzoic acid"	""	""	"O=S(NC=1C(C(O)=O)=CC(=CC1)CN2CC(OC3=CC(C(O)=O)=C(NS(=O)(C4=CN(C5=CC=C(F)C=C5)N=C4)=O)C=C3)C2)(C6=CN(C7=CC=C(F)C=C7)N=C6)=O"	"KWLPOBODVPIQQW-UHFFFAOYSA-N"	"InChI=1S/C36H29F2N7O9S2/c37-23-2-6-25(7-3-23)44-20-29(15-39-44)55(50,51)41-33-11-1-22(13-31(33)35(46)47)17-43-18-28(19-43)54-27-10-12-34(32(14-27)36(48)49)42-56(52,53)30-16-40-45(21-30)26-8-4-24(38)5-9-26/h1-16,20-21,28,41-42H,17-19H2,(H,46,47)(H,48,49)"	""	""	"yes"
"8957"	"cerdulatinib"	""	"Synthetic organic"	""	""	""	""	"310264738"	"44595079"	""	""	""	""	""	""	""	"4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide"	"cerdulatinib"	"PRT 062070|PRT-062070|PRT-2070|PRT062070"	"CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1)Nc1ncc(c(n1)NC1CC1)C(=O)N"	"BGLPECHZZQDNCD-UHFFFAOYSA-N"	"InChI=1S/C20H27N7O3S/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25)"	"yes"	""	""
"13048"	"cerebral dopamine neurotrophic factor"	"Human"	"Peptide"	""	""	""	""	"491299830"	"0"	"Q49AH0"	"ENSG00000185267"	""	""	""	""	""	""	""	"arginine-rich, mutated in early stage tumors-like 1|ARMETL1"	""	""	""	""	""	""
"7397"	"ceritinib"	""	"Synthetic organic"	"yes"	""	""	""	"178103969"	"57379345"	""	""	"CHEMBL2403108"	""	""	""	""	"5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine"	"ceritinib"	"compound 15b [PMID 23742252]|LDK378|NVP-LDK378-NX|Zykadia&reg;"	"CC(Oc1cc(C2CCNCC2)c(cc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)C)C"	"VERWOWGGCGHDQE-UHFFFAOYSA-N"	"InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)"	""	""	""
"2950"	"cerivastatin"	""	"Synthetic organic"	"yes"	"yes"	""	""	"135650063"	"446156"	""	""	"CHEMBL1477"	""	""	""	""	"(E,3R,5S)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid"	"cerivastatin"	"Baycol&reg;|Lipobay&reg;"	"COCc1c(c2ccc(cc2)F)c(/C=C/[C@H](C[C@H](CC(=O)O)O)O)c(nc1C(C)C)C(C)C"	"SEERZIQQUAZTOL-ANMDKAQQSA-N"	"InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1"	""	""	""
"7356"	"cerlapirdine"	""	"Synthetic organic"	""	""	""	""	"178103928"	"16071605"	""	""	"CHEMBL2103880"	""	""	""	""	"N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]propan-1-amine"	"cerlapirdine"	"PF-05212365|SAM-531|WAY-262531"	"CN(CCCOc1ccc2c(c1)c([nH]n2)S(=O)(=O)c1cccc2c1cccc2)C"	"NXQGEDVQXVTCDA-UHFFFAOYSA-N"	"InChI=1S/C22H23N3O3S/c1-25(2)13-6-14-28-17-11-12-20-19(15-17)22(24-23-20)29(26,27)21-10-5-8-16-7-3-4-9-18(16)21/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,24)"	""	""	""
"6774"	"certolizumab pegol"	""	"Antibody"	"yes"	""	""	""	"178103380"	"0"	""	""	""	""	""	""	""	""	"certolizumab pegol"	"CDP870|Cimzia&reg;|PHA 738144"	""	""	""	"yes"	""	""
"7589"	"ceruletide"	""	"Synthetic organic"	"yes"	""	""	""	"223365924"	"16129675"	""	""	"CHEMBL1201355"	""	""	""	""	"(3S)-3-[[(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid"	"ceruletide"	"caerulein|cerulein|ceruletide diethylamine|Tymtran&reg;"	"CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)N)CC(=O)O)Cc1ccc(cc1)OS(=O)(=O)O"	"YRALAIOMGQZKOW-HYAOXDFASA-N"	"InChI=1S/C58H73N13O21S2/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70-42(25-47(76)77)55(85)67-39(50(60)80)22-30-8-4-3-5-9-30/h3-15,27,29,36-43,49,61,72H,16-26,28H2,1-2H3,(H2,59,73)(H2,60,80)(H,62,88)(H,63,74)(H,64,75)(H,65,81)(H,66,84)(H,67,85)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,76,77)(H,78,79)(H,89,90,91)/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+/m1/s1"	""	""	""
"13603"	"cervimycin C"	""	"Natural product"	""	""	""	""	"504705422"	"54687465"	""	""	""	""	""	""	""	"3-{[(2S,3S,6S)-6-{[(2S,3S,6S)-6-{[(2S,3S,6S)-6-{[(2R,3S,6S)-6-{[(1R,4aS,12aR)-3-carbamoyl-4,6-dihydroxy-4a-{[(2S,5S,6R)-5-{[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-9-methoxy-2,5,7,10-tetraoxo-1,2,4a,5,7,10,12,12a-octahydrotetracen-1-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2,2-dimethyl-3-oxopropanoic acid"	""	""	"C[C@@H]1[C@H](CC[C@@H](O1)O[C@H]2CC[C@@H](O[C@@H]2C)O[C@]34[C@H](CC5=CC6=C(C(=O)C=C(C6=O)OC)C(=C5C3=O)O)[C@H](C(=O)C(=C4O)C(=O)N)O[C@H]7CC[C@@H]([C@H](O7)C)O[C@H]8CC[C@@H]([C@@H](O8)C)O[C@H]9CC[C@@H]([C@@H](O9)C)O[C@H]%10CC[C@@H]([C@@H](O%10)C)OC(=O)C(C)(C)C(=O)O)O"	"CYKZTBKVWQAQLU-KSQSWLAPSA-N"	"InChI=1S/C61H81NO25/c1-25-34(63)10-16-42(75-25)81-39-15-21-47(80-29(39)5)87-61-33(23-31-22-32-49(52(66)48(31)55(61)68)35(64)24-41(74-9)51(32)65)54(53(67)50(56(61)69)57(62)70)86-46-20-13-38(28(4)79-46)84-44-18-11-36(26(2)77-44)82-43-17-12-37(27(3)76-43)83-45-19-14-40(30(6)78-45)85-59(73)60(7,8)58(71)72/h22,24-30,33-34,36-40,42-47,54,63,66,69H,10-21,23H2,1-9H3,(H2,62,70)(H,71,72)/t25-,26+,27+,28-,29-,30+,33-,34+,36+,37+,38+,39+,40+,42+,43+,44+,45+,46+,47+,54-,61-/m1/s1"	""	""	"yes"
"13920"	"CES2 inhibitor 9d"	""	"Synthetic organic"	""	""	""	""	"513757605"	"175670506"	""	""	""	""	""	""	""	"4-methoxy-2-(4-nonanoyl-1-benzofuran-2-yl)phenyl pyrrolidine-1-carboxylate"	""	""	"CCCCCCCCC(=O)C1=C2C=C(C3=CC(OC)=CC=C3OC(=O)N4CCCC4)OC2=CC=C1"	"XFBJUMZGUOUWSC-UHFFFAOYSA-N"	"InChI=1S/C29H35NO5/c1-3-4-5-6-7-8-13-25(31)22-12-11-14-26-23(22)20-28(34-26)24-19-21(33-2)15-16-27(24)35-29(32)30-17-9-10-18-30/h11-12,14-16,19-20H,3-10,13,17-18H2,1-2H3"	""	""	""
"13952"	"cetagliptin"	""	"Synthetic organic"	"yes"	""	""	""	"513757637"	"74221499"	""	""	""	""	""	""	""	"(3R)-3-amino-1-[(8R)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one"	""	"CGT-8012|CGT8012|compound 8 [CN101899047A]"	"C[C@@H]1C2=CN=C(N2CCN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N)C(F)(F)F"	"AEAPWXUIBZJCNV-MWLCHTKSSA-N"	"InChI=1S/C18H18F6N4O/c1-9-15-8-26-17(18(22,23)24)28(15)3-2-27(9)16(29)6-11(25)4-10-5-13(20)14(21)7-12(10)19/h5,7-9,11H,2-4,6,25H2,1H3/t9-,11-/m1/s1"	""	""	""
"10790"	"cetefloxacin"	""	"Synthetic organic"	""	""	""	""	"405560231"	"65995"	""	""	"CHEMBL132468"	""	""	""	""	"7-[(2S,3R)-3-amino-2-methylazetidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid"	"cetefloxacin"	"compound 43f [PMID: 7990118]|E-4868|E4868"	"Fc1ccc(c(c1)F)n1cc(C(=O)O)c(=O)c2c1cc(c(c2)F)N1C[C@H]([C@@H]1C)N"	"LTDOHCZUKCZDEQ-BJOHPYRUSA-N"	"InChI=1S/C20H16F3N3O3/c1-9-15(24)8-25(9)18-6-17-11(5-14(18)23)19(27)12(20(28)29)7-26(17)16-3-2-10(21)4-13(16)22/h2-7,9,15H,8,24H2,1H3,(H,28,29)/t9-,15+/m0/s1"	""	""	"yes"
"10791"	"cethromycin"	""	"Synthetic organic"	""	""	""	""	"405560232"	"447451"	""	""	""	""	""	""	""	"(1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-1,5,7,9,11,13-hexamethyl-9-[(E)-3-quinolin-3-ylprop-2-enoxy]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone"	"cethromycin"	"A-195773|Abbott-195773|ABT-773|ABT773|Restanza&reg;"	"CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)N2)C)C)(C)OC/C=C/c1cnc2c(c1)cccc2"	"PENDGIOBPJLVBT-ONLVEXIXSA-N"	"InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1"	""	""	"yes"
"11433"	"cetilistat"	""	"Synthetic organic"	"yes"	""	""	""	"440816802"	"9952916"	""	""	""	""	""	""	""	"2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one"	"cetilistat"	"ATL-962|ATL962|Oblean&reg;"	"CCCCCCCCCCCCCCCCOc1nc2ccc(cc2c(=O)o1)C"	"MVCQKIKWYUURMU-UHFFFAOYSA-N"	"InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3"	""	""	""
"1222"	"cetirizine"	""	"Synthetic organic"	"yes"	""	""	""	"135650064"	"2678"	""	""	"CHEMBL1000"	""	""	""	""	"2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid"	"cetirizine"	"Reactine&reg;|Zyrtec&reg;"	"OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1"	"ZKLPARSLTMPFCP-UHFFFAOYSA-N"	"InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)"	"yes"	""	""
"10792"	"cetocycline"	""	"Synthetic organic"	""	""	""	""	"405560233"	"71402"	""	""	"CHEMBL2110884"	""	""	""	""	"(1R,4aR,12aS)-3-acetyl-1-amino-4,4a,6,7-tetrahydroxy-8,11-dimethyl-12,12a-dihydro-1H-tetracene-2,5-dione"	"cetocycline"	"A-40728|Abbott 40728|chelocardin|compound 1 [PMID: 379332]"	"CC(=O)C1=C(O)[C@@]2([C@H]([C@H](C1=O)N)Cc1c(C2=O)c(O)c2c(c1C)ccc(c2O)C)O"	"LUYXWZOOMKBUMB-ONJZCGHCSA-N"	"InChI=1S/C22H21NO7/c1-7-4-5-10-8(2)11-6-12-16(23)19(27)13(9(3)24)20(28)22(12,30)21(29)15(11)18(26)14(10)17(7)25/h4-5,12,16,25-26,28,30H,6,23H2,1-3H3/t12-,16+,22+/m0/s1"	""	""	"yes"
"1190"	"cetrorelix"	""	"Peptide"	"yes"	""	""	""	"135652055"	"25074887"	""	""	"CHEMBL1200490"	""	""	""	""	""	"cetrorelix"	"Cetrotide&reg;|SB-075"	"OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N)C)CCCN=C(N)N)CC(C)C)CCCNC(=O)N)Cc1ccc(cc1)O)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(cc1)Cl)NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C"	"SBNPWPIBESPSIF-MHWMIDJBSA-N"	"InChI=1S/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1"	"yes"	""	""
"6882"	"cetuximab"	""	"Antibody"	"yes"	""	""	""	"178103464"	"0"	""	""	""	""	""	""	""	""	"cetuximab"	"C225|Erbitux&reg;|IMC-225|IMC-C225"	""	""	""	""	""	""
"14498"	"cetylpyridinium"	""	"Synthetic organic"	""	""	""	""	"528429819"	"2683"	""	""	"CHEMBL305906"	""	""	""	""	"1-hexadecylpyridin-1-ium"	"cetylpyridinium chloride"	""	"CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1"	"NEUSVAOJNUQRTM-UHFFFAOYSA-N"	"InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3/q+1"	""	""	"yes"
"9658"	"cevimeline"	""	"Synthetic organic"	"yes"	""	""	""	"348353617"	"2684"	""	""	"CHEMBL168815"	""	""	""	""	""	"cevimeline"	"Evoxac&reg;"	"CC1SCC2(O1)CN1CCC2CC1"	"WUTYZMFRCNBCHQ-UHFFFAOYSA-N"	"InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3"	""	""	""
"6340"	"CFMMC"	""	"Synthetic organic"	""	""	""	""	"178102958"	"73755208"	""	""	""	""	""	""	""	"3-cyclohexyl-5-fluoro-6-methyl-7-[2-(morpholin-4-yl)ethoxy]-4H-chromen-4-one"	""	""	"Cc1c(OCCN2CCOCC2)cc2c(c1F)c(=O)c(co2)C1CCCCC1"	"PHQKNLJAPYWXQQ-UHFFFAOYSA-N"	"InChI=1S/C22H28FNO4/c1-15-18(27-12-9-24-7-10-26-11-8-24)13-19-20(21(15)23)22(25)17(14-28-19)16-5-3-2-4-6-16/h13-14,16H,2-12H2,1H3"	""	""	""
"6341"	"CFMTI"	""	"Synthetic organic"	""	""	""	""	"178102959"	"11175501"	""	""	"CHEMBL578995"	""	""	""	""	"2-cyclopropyl-5-[1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-2,3-dihydro-1H-isoindol-1-one"	""	""	"O=C1N(Cc2c1ccc(c2)c1nnn(c1C)c1cccnc1F)C1CC1"	"XZBFQWRAIYRPPZ-UHFFFAOYSA-N"	"InChI=1S/C19H16FN5O/c1-11-17(22-23-25(11)16-3-2-8-21-18(16)20)12-4-7-15-13(9-12)10-24(19(15)26)14-5-6-14/h2-4,7-9,14H,5-6,10H2,1H3"	""	""	""
"12623"	"CFT1946"	""	"Synthetic organic"	""	""	""	""	"479821413"	"166168413"	""	""	""	""	""	""	""	"(3R)-3-[6-[2-cyano-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluorophenoxy]-4-oxoquinazolin-3-yl]-8-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-5-fluoro-1-methylindazol-6-yl]-4-hydroxypiperidin-4-yl]acetyl]-1-oxa-8-azaspiro[4.5]decane"	""	"CFT-1946"	"CCN(C)S(=O)(=O)NC1=CC=C(F)C(OC2=CC3=C(C=C2)N=CN([C@H]4COC5(C4)CCN(CC5)C(=O)CC6(O)CCN(CC6)C7=CC8=C(C=C7F)C(=NN8C)N9CCC(=O)NC9=O)C3=O)=C1C#N"	"OCDRMYDQTIPVOI-HHHXNRCGSA-N"	"InChI=1S/C45H49F2N11O9S/c1-4-53(2)68(64,65)52-35-8-6-32(46)40(31(35)24-48)67-28-5-7-34-29(19-28)42(61)58(26-49-34)27-22-45(66-25-27)12-17-56(18-13-45)39(60)23-44(63)10-15-55(16-11-44)37-21-36-30(20-33(37)47)41(51-54(36)3)57-14-9-38(59)50-43(57)62/h5-8,19-21,26-27,52,63H,4,9-18,22-23,25H2,1-3H3,(H,50,59,62)/t27-/m1/s1"	""	""	""
"11961"	"CFT7455"	""	"Synthetic organic"	""	""	""	""	"464244102"	"155207651"	""	""	""	""	""	""	""	"(3S)-3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione"	""	""	"O=c1n([C@H]2CCC(=O)NC2=O)c2ccc(Cc3ccc(CN4CCOCC4)cc3)c3cccc1c23"	"MUKCJOOKCZSQNW-DEOSSOPVSA-N"	"InChI=1S/C28H27N3O4/c32-25-11-10-24(27(33)29-25)31-23-9-8-20(21-2-1-3-22(26(21)23)28(31)34)16-18-4-6-19(7-5-18)17-30-12-14-35-15-13-30/h1-9,24H,10-17H2,(H,29,32,33)/t24-/m0/s1"	""	""	""
"11965"	"CFT8634"	""	"Synthetic organic"	""	""	""	""	"464244106"	"163322333"	""	""	""	""	""	""	""	""	""	"CFT-8634"	"Cc1c(c(=O)n(cc1c1cc(c(c(c1)OC)CN1CC[C@@H](C(C1)(F)F)N1CCN(CC1)c1c(cc(cc1)N[C@@H]1CCC(=O)NC1=O)F)OC)C)C"	"GNRGNRCQXHMQQV-CPBHLAHYSA-N"	"InChI=1S/C37H45F3N6O5/c1-22-23(2)36(49)43(3)19-26(22)24-16-31(50-4)27(32(17-24)51-5)20-44-11-10-33(37(39,40)21-44)46-14-12-45(13-15-46)30-8-6-25(18-28(30)38)41-29-7-9-34(47)42-35(29)48/h6,8,16-19,29,33,41H,7,9-15,20-21H2,1-5H3,(H,42,47,48)/t29-,33+/m1/s1"	""	""	""
"4153"	"CFTR<sub>inh</sub>-172"	""	"Synthetic organic"	""	""	""	""	"178100974"	"504670"	""	""	""	""	""	""	""	"4-({4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl)benzoic acid"	""	""	"S=C1SC(=Cc2ccc(cc2)C(=O)O)C(=O)N1c1cccc(c1)C(F)(F)F"	"JIMHYXZZCWVCMI-UHFFFAOYSA-N"	"InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)"	""	""	""
"14512"	"CG-0988"	""	"Synthetic organic"	""	""	""	""	"528429833"	"178342678"	""	""	""	""	""	""	""	"(3R,5'S)-1'-[(2S)-2-{2-cyclopropanecarbonyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}-4-fluoro-4-methylpentanoyl]-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carbonitrile"	""	""	"CC(C)(F)C[C@H](N1C=CC2=C(NC(=C2)C(=O)C3CC3)C1=O)C(=O)N4C[C@]5(C[C@H]4C#N)C(=O)NC6=CC=CC=C56"	"VIARCOMDGNQPBM-RIRMVKJXSA-N"	"InChI=1S/C29H28FN5O4/c1-28(2,30)13-22(34-10-9-17-11-21(24(36)16-7-8-16)32-23(17)26(34)38)25(37)35-15-29(12-18(35)14-31)19-5-3-4-6-20(19)33-27(29)39/h3-6,9-11,16,18,22,32H,7-8,12-13,15H2,1-2H3,(H,33,39)/t18-,22-,29-/m0/s1"	""	""	""
"10055"	"CG200745"	""	"Synthetic organic"	""	""	""	""	"375973243"	"16117309"	""	""	""	""	""	""	""	"(E)-N-(3-dimethylaminopropyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide"	""	"CG-2|CG-200745|HDCG-0745"	"ONC(=O)CCCC/C=C(/C(=O)NCCCN(C)C)\COc1cccc2c1cccc2"	"AUGCSOFQTDKPSO-RGVLZGJSSA-N"	"InChI=1S/C24H33N3O4/c1-27(2)17-9-16-25-24(29)20(11-4-3-5-15-23(28)26-30)18-31-22-14-8-12-19-10-6-7-13-21(19)22/h6-8,10-14,30H,3-5,9,15-18H2,1-2H3,(H,25,29)(H,26,28)/b20-11+"	"yes"	""	""
"6241"	"CGEN-855A"	""	"Peptide"	""	""	""	""	"178102862"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7041"	"CGEN-856"	""	"Peptide"	""	""	""	""	"178103620"	"155817500"	""	""	""	""	""	""	""	""	""	"P61"	"CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O"	"SNXBDZJJBKGJKY-CBQXUBDJSA-N"	"InChI=1S/C135H217N45O32S/c1-10-74(8)107(179-125(207)100(70-213)178-121(203)94(63-78-41-45-80(181)46-42-78)161-103(184)68-159-111(193)91(58-71(2)3)172-109(191)82(138)61-76-28-13-11-14-29-76)127(209)176-96(64-79-43-47-81(182)48-44-79)123(205)174-93(60-73(6)7)120(202)175-97(65-102(139)183)124(206)170-88(37-24-54-155-133(146)147)116(198)164-84(32-17-19-49-136)112(194)165-86(35-22-52-153-131(142)143)114(196)163-83(34-21-51-152-130(140)141)110(192)158-69-104(185)162-98(66-105(186)187)128(210)180-57-27-40-101(180)126(208)160-75(9)108(190)171-95(62-77-30-15-12-16-31-77)122(204)168-85(33-18-20-50-137)113(195)166-87(36-23-53-154-132(144)145)115(197)167-89(38-25-55-156-134(148)149)117(199)173-92(59-72(4)5)119(201)169-90(39-26-56-157-135(150)151)118(200)177-99(129(211)212)67-106(188)189/h11-16,28-31,41-48,71-75,82-101,107,181-182,213H,10,17-27,32-40,49-70,136-138H2,1-9H3,(H2,139,183)(H,158,192)(H,159,193)(H,160,208)(H,161,184)(H,162,185)(H,163,196)(H,164,198)(H,165,194)(H,166,195)(H,167,197)(H,168,204)(H,169,201)(H,170,206)(H,171,190)(H,172,191)(H,173,199)(H,174,205)(H,175,202)(H,176,209)(H,177,200)(H,178,203)(H,179,207)(H,186,187)(H,188,189)(H,211,212)(H4,140,141,152)(H4,142,143,153)(H4,144,145,154)(H4,146,147,155)(H4,148,149,156)(H4,150,151,157)/t74-,75-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,107-/m0/s1"	""	""	""
"7040"	"CGEN-857"	""	"Peptide"	""	""	""	""	"178103619"	"155817499"	""	""	""	""	""	""	""	""	""	"P33"	"CSCC[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"	"HPWUNEYLOMSFEY-HVUBXCGRSA-N"	"InChI=1S/C94H144N32O21S2/c1-48(2)35-64(81(136)121-68(36-53-19-10-9-11-20-53)90(145)125-32-17-26-71(125)87(142)112-50(5)74(129)110-51(6)75(130)117-66(38-55-41-102-46-108-55)84(139)116-63(25-16-31-106-94(100)101)89(144)126-33-18-27-72(126)91(146)147)120-88(143)73(49(3)4)124-76(131)52(7)111-78(133)60(23-14-29-104-92(96)97)115-85(140)69(44-128)122-82(137)65(37-54-40-107-59-22-13-12-21-57(54)59)118-79(134)61(24-15-30-105-93(98)99)114-83(138)67(39-56-42-103-47-109-56)119-86(141)70(45-148)123-80(135)62(28-34-149-8)113-77(132)58(95)43-127/h9-13,19-22,40-42,46-52,58,60-73,107,127-128,148H,14-18,23-39,43-45,95H2,1-8H3,(H,102,108)(H,103,109)(H,110,129)(H,111,133)(H,112,142)(H,113,132)(H,114,138)(H,115,140)(H,116,139)(H,117,130)(H,118,134)(H,119,141)(H,120,143)(H,121,136)(H,122,137)(H,123,135)(H,124,131)(H,146,147)(H4,96,97,104)(H4,98,99,105)(H4,100,101,106)/t50-,51-,52-,58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1"	""	""	""
"8066"	"CGI1746"	""	"Synthetic organic"	""	""	""	""	"249565746"	"24857323"	""	""	"CHEMBL1230541"	""	""	""	""	"4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide"	""	"CGI 1746|CGI-1746"	"Cc1c(cccc1c1cn(C)c(=O)c(n1)Nc1ccc(cc1)C(=O)N1CCOCC1)NC(=O)c1ccc(cc1)C(C)(C)C"	"JIFCFQDXHMUPGP-UHFFFAOYSA-N"	"InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)"	"yes"	""	""
"9264"	"CGI560"	""	"Synthetic organic"	""	""	""	""	"315661339"	"11397050"	""	""	"CHEMBL2057914"	""	""	""	""	""	""	"CGI-560"	"O=C(c1ccc(cc1)C(C)(C)C)Nc1cccc(c1)c1nc(Nc2ccccc2)c2n(c1)ccn2"	"IJMHHZDBRUGXNO-UHFFFAOYSA-N"	"InChI=1S/C29H27N5O/c1-29(2,3)22-14-12-20(13-15-22)28(35)32-24-11-7-8-21(18-24)25-19-34-17-16-30-27(34)26(33-25)31-23-9-5-4-6-10-23/h4-19H,1-3H3,(H,31,33)(H,32,35)"	"yes"	""	""
"532"	"CGP12177"	""	"Synthetic organic"	""	""	""	""	"135650065"	"2687"	""	""	"CHEMBL420746"	""	""	""	""	"4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one"	""	"CGP 12177A"	"OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C"	"UMQUQWCJKFOUGV-UHFFFAOYSA-N"	"InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)"	""	""	""
"7848"	"CGP13501"	""	"Synthetic organic"	""	""	""	""	"223366178"	"3519541"	""	""	"CHEMBL1256746"	""	""	""	""	"3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanal"	""	"CGP 13501|CGP-13501"	"O=CC(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C"	"XGWATTXMMMANFJ-UHFFFAOYSA-N"	"InChI=1S/C19H30O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,12,21H,11H2,1-8H3"	""	""	""
"541"	"CGP20712A"	""	"Synthetic organic"	""	""	""	""	"135650066"	"2685"	""	""	"CHEMBL280822"	""	""	""	""	"2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide"	""	"CGP 20712A|CGP-20712A"	"OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O"	"GKJZEKSHCJELPL-UHFFFAOYSA-N"	"InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)"	""	""	""
"2005"	"CGP 23996"	""	"Peptide"	""	""	""	""	"135652056"	"16130961"	""	""	""	""	""	""	""	""	""	"CGP-23996|CGP23996"	"NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)CCCCC[C@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)C(NC1=O)[C@H](O)C)Cc1ccc(cc1)O)[C@H](O)C)CO)C(=O)O)Cc1c[nH]c2c1cccc2"	"HTEPNQQGQXAYEW-YQENAMKYSA-N"	"InChI=1S/C73H99N15O18/c1-41(90)61-71(103)85-55(36-45-28-30-47(92)31-29-45)69(101)88-62(42(2)91)72(104)86-58(40-89)70(102)80-52(73(105)106)26-10-5-11-27-60(94)78-50(24-14-16-32-74)63(95)84-57(38-59(76)93)68(100)82-53(34-43-18-6-3-7-19-43)65(97)81-54(35-44-20-8-4-9-21-44)66(98)83-56(37-46-39-77-49-23-13-12-22-48(46)49)67(99)79-51(64(96)87-61)25-15-17-33-75/h3-4,6-9,12-13,18-23,28-31,39,41-42,50-58,61-62,77,89-92H,5,10-11,14-17,24-27,32-38,40,74-75H2,1-2H3,(H2,76,93)(H,78,94)(H,79,99)(H,80,102)(H,81,97)(H,82,100)(H,83,98)(H,84,95)(H,85,103)(H,86,104)(H,87,96)(H,88,101)(H,105,106)/t41-,42-,50+,51+,52+,53+,54+,55+,56+,57?,58+,61?,62?/m1/s1"	""	""	""
"10963"	"CGP-31608"	""	"Synthetic organic"	""	""	""	""	"405560404"	"129935"	""	""	"CHEMBL308425"	""	""	""	""	"(5R,6S)-3-(aminomethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	""	"CGP 31608|CGP31608"	"NCC1=C(C(=O)O)N2[C@H](S1)[C@H](C2=O)[C@H](O)C"	"RXCNILVLOHRALM-UWBRJAPDSA-N"	"InChI=1S/C9H12N2O4S/c1-3(12)5-7(13)11-6(9(14)15)4(2-10)16-8(5)11/h3,5,8,12H,2,10H2,1H3,(H,14,15)/t3-,5+,8-/m1/s1"	""	""	"yes"
"1069"	"CGP35348"	""	"Synthetic organic"	""	""	""	""	"135650067"	"107699"	""	""	"CHEMBL40157"	""	""	""	""	"3-aminopropyl-(diethoxymethyl)phosphinic acid"	""	"CGP 35348|CGP-35348"	"NCCCP(=O)(C(OCC)OCC)O"	"QIIVUOWTHWIXFO-UHFFFAOYSA-N"	"InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)"	""	""	""
"1085"	"CGP 36742"	""	"Synthetic organic"	""	""	""	""	"135650068"	"130021"	""	""	"CHEMBL112797"	""	""	""	""	"3-aminopropyl-butylphosphinic acid"	""	"CGP-36742|CGP36742"	"CCCCP(=O)(CCCN)O"	"ONNMDRQRSGKZCN-UHFFFAOYSA-N"	"InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)"	""	""	""
"11611"	"CGP-37157"	""	"Synthetic organic"	""	""	""	""	"442878645"	"2688"	""	""	"CHEMBL1495071"	""	""	""	""	"7-chloro-5-(2-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2-one"	""	"CGP37157"	"O=C1CSC(c2c(N1)ccc(c2)Cl)c1ccccc1Cl"	"KQEPIRKXSUIUTH-UHFFFAOYSA-N"	"InChI=1S/C15H11Cl2NOS/c16-9-5-6-13-11(7-9)15(20-8-14(19)18-13)10-3-1-2-4-12(10)17/h1-7,15H,8H2,(H,18,19)"	""	""	""
"4154"	"CGP37849"	""	"Synthetic organic"	""	""	""	""	"178100975"	"5950212"	""	""	"CHEMBL29811"	""	""	""	""	"(E)-2-amino-4-methyl-5-phosphonopent-3-enoic acid"	""	"CGP 37849|CGP-37849"	"C/C(=C\C(C(=O)O)N)/CP(=O)(O)O"	"BDYHNCZIGYIOGJ-DUXPYHPUSA-N"	"InChI=1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H2,1H3,(H,8,9)(H2,10,11,12)/b4-2+"	""	""	""
"3944"	"CGP42112"	""	"Peptide"	""	""	""	""	"178100771"	"123794"	""	""	"CHEMBL1885579"	""	""	""	""	"(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-[[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoyl]amino]hexanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid"	""	"CGP 42112|CGP 42112A"	"CC[C@@H]([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cccnc1)Cc1ccc(cc1)O)CCCCNC(=O)[C@@H](NC(=O)OCc1ccccc1)CCCN=C(N)N)Cc1[nH]cnc1)C"	"UXGNARZDONUMMK-LRMQDCNJSA-N"	"InChI=1S/C52H69N13O11/c1-3-32(2)43(50(73)74)64-48(71)42-17-11-25-65(42)49(72)41(27-36-29-56-31-59-36)62-46(69)39(60-47(70)40(26-33-18-20-37(66)21-19-33)61-44(67)35-14-9-22-55-28-35)15-7-8-23-57-45(68)38(16-10-24-58-51(53)54)63-52(75)76-30-34-12-5-4-6-13-34/h4-6,9,12-14,18-22,28-29,31-32,38-43,66H,3,7-8,10-11,15-17,23-27,30H2,1-2H3,(H,56,59)(H,57,68)(H,60,70)(H,61,67)(H,62,69)(H,63,75)(H,64,71)(H,73,74)(H4,53,54,58)/t32-,38-,39-,40-,41-,42-,43-/m0/s1"	""	""	""
"1082"	"CGP44532"	""	"Synthetic organic"	""	""	""	""	"135650069"	"5310934"	""	""	"CHEMBL113348"	""	""	""	""	"[(2R)-3-amino-2-hydroxypropyl]-methylphosphinic acid"	""	"CGP 44532|CGP-44532"	"CP(=O)(C[C@@H](CN)O)O"	"FUUPFUIGNBPCAY-SCSAIBSYSA-N"	"InChI=1S/C4H12NO3P/c1-9(7,8)3-4(6)2-5/h4,6H,2-3,5H2,1H3,(H,7,8)/t4-/m1/s1"	""	""	""
"1086"	"CGP 46381"	""	"Synthetic organic"	""	""	""	""	"135650070"	"130022"	""	""	"CHEMBL112362"	""	""	""	""	"3-aminopropyl-(cyclohexylmethyl)phosphinic acid"	""	"CGP-46381|CGP46381"	"NCCCP(=O)(CC1CCCCC1)O"	"XOESDNIUAWGCLU-UHFFFAOYSA-N"	"InChI=1S/C10H22NO2P/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2,(H,12,13)"	""	""	""
"1066"	"CGP 47656"	""	"Synthetic organic"	""	""	""	""	"135650071"	"10154248"	""	""	"CHEMBL113553"	""	""	""	""	"3-aminopropyl-(difluoromethyl)phosphinic acid"	""	"CGP-47656|CGP47656"	"NCCCP(=O)(C(F)F)O"	"TXAHGWWWANKBDA-UHFFFAOYSA-N"	"InChI=1S/C4H10F2NO2P/c5-4(6)10(8,9)3-1-2-7/h4H,1-3,7H2,(H,8,9)"	""	""	""
"5163"	"CGP53353"	""	"Synthetic organic"	""	""	""	""	"178101854"	"6711154"	""	""	"CHEMBL7939"	""	""	""	""	"5,6-bis[(4-fluorophenyl)amino]-2,3-dihydro-1H-isoindole-1,3-dione"	""	"CGP 53353|CGP-53353|PKCbII/EGFR Inhibitor"	"Fc1ccc(cc1)Nc1cc2C(=O)NC(=O)c2cc1Nc1ccc(cc1)F"	"RONQPWQYDRPRGG-UHFFFAOYSA-N"	"InChI=1S/C20H13F2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26,27)"	""	""	""
"1070"	"CGP 54626A"	""	"Synthetic organic"	""	""	""	""	"135650072"	"197584"	""	""	"CHEMBL1213187"	""	""	""	""	"cyclohexylmethyl-[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]phosphinic acid"	""	"CGP-54626|CGP54626"	"O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C"	"JGGVBBYJRQOPPA-BBRMVZONSA-N"	"InChI=1S/C18H28Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h7-9,13-14,16,21-22H,2-6,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1"	""	""	""
"1088"	"CGP55845"	""	"Synthetic organic"	""	""	""	""	"135650073"	"5311042"	""	""	"CHEMBL455185"	""	""	""	""	"[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]-(phenylmethyl)phosphinic acid"	""	"CGP 55845|CGP-55845|CGP-55845A"	"O[C@H](CP(=O)(Cc1ccccc1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C"	"ZODSPDOOCZZEIM-BBRMVZONSA-N"	"InChI=1S/C18H22Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h2-9,13,16,21-22H,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1"	""	""	""
"1071"	"CGP 56999A"	""	"Synthetic organic"	""	""	""	""	"135650075"	"9800175"	""	""	""	""	""	""	""	"3-[(1R)-1-[[(2S)-3-(cyclohexylmethyl-hydroxyphosphoryl)-2-hydroxypropyl]amino]ethyl]benzoic acid"	""	"CGP-56999A|CGP56999A"	"O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@@H](c1cccc(c1)C(=O)O)C"	"JCFULPDIJOVUHP-KDOFPFPSSA-N"	"InChI=1S/C19H30NO5P/c1-14(16-8-5-9-17(10-16)19(22)23)20-11-18(21)13-26(24,25)12-15-6-3-2-4-7-15/h5,8-10,14-15,18,20-21H,2-4,6-7,11-13H2,1H3,(H,22,23)(H,24,25)/t14-,18+/m1/s1"	""	""	""
"5474"	"CGP61594"	""	"Synthetic organic"	""	""	""	""	"178102123"	"10025114"	""	""	""	""	""	""	""	"4-[2-(4-azidophenyl)acetamido]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid"	""	"CGP 61594|CGP-61594"	"[N-]=[N+]=Nc1ccc(cc1)CC(=O)NC1CC(Nc2c1c(Cl)cc(c2)Cl)C(=O)O"	"OVAIIHUWSLJJPO-UHFFFAOYSA-N"	"InChI=1S/C18H15Cl2N5O3/c19-10-6-12(20)17-13(7-10)22-15(18(27)28)8-14(17)23-16(26)5-9-1-3-11(4-2-9)24-25-21/h1-4,6-7,14-15,22H,5,8H2,(H,23,26)(H,27,28)"	""	""	""
"1072"	"CGP62349"	""	"Synthetic organic"	""	""	""	""	"135650076"	"5310936"	""	""	""	""	""	""	""	"3-[(1R)-1-[[(2S)-2-hydroxy-3-[hydroxy-[(4-methoxyphenyl)methyl]phosphoryl]propyl]-methylamino]ethyl]benzoic acid"	""	"CGP 62349|CGP-62349"	"COc1ccc(cc1)CP(=O)(C[C@H](CN([C@@H](c1cccc(c1)C(=O)O)C)C)O)O"	"AKUSEWDIEMJQBM-BEFAXECRSA-N"	"InChI=1S/C21H28NO6P/c1-15(17-5-4-6-18(11-17)21(24)25)22(2)12-19(23)14-29(26,27)13-16-7-9-20(28-3)10-8-16/h4-11,15,19,23H,12-14H2,1-3H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1"	""	""	""
"1073"	"CGP 64213"	""	"Synthetic organic"	""	""	""	""	"135650077"	"5311043"	""	""	"CHEMBL1909010"	""	""	""	""	"3-[(1R)-1-[[(2S)-2-hydroxy-3-[hydroxy-[5-[3-(4-hydroxy-3-iodophenyl)propanoylamino]pentyl]phosphoryl]propyl]amino]ethyl]benzoic acid"	""	"CGP-64213|CGP64213"	"O=C(CCc1ccc(c(c1)I)O)NCCCCCP(=O)(C[C@H](CN[C@@H](c1cccc(c1)C(=O)O)C)O)O"	"RLYLJDJFHZHCTR-GCJKJVERSA-N"	"InChI=1S/C26H36IN2O7P/c1-18(20-6-5-7-21(15-20)26(33)34)29-16-22(30)17-37(35,36)13-4-2-3-12-28-25(32)11-9-19-8-10-24(31)23(27)14-19/h5-8,10,14-15,18,22,29-31H,2-4,9,11-13,16-17H2,1H3,(H,28,32)(H,33,34)(H,35,36)/t18-,22+/m1/s1"	""	""	""
"1562"	"CGP 71683A"	""	"Synthetic organic"	""	""	""	""	"135650078"	"5312114"	""	""	"CHEMBL195380"	""	""	""	""	"N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide"	""	"CGP-71683A|CGP71683A|GNF-Pf-1864|TCMDC-124251"	"Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2"	"UULIGRNKXHCLQN-UHFFFAOYSA-N"	"InChI=1S/C26H29N5O2S/c27-25-22-9-3-4-10-23(22)30-26(31-25)28-16-18-12-14-19(15-13-18)17-29-34(32,33)24-11-5-7-20-6-1-2-8-21(20)24/h1-11,18-19,29H,12-17H2,(H3,27,28,30,31)"	""	""	""
"1074"	"CGP 71872"	""	"Synthetic organic"	""	""	""	""	"135650079"	"6324595"	""	""	"CHEMBL1909011"	""	""	""	""	"3-[(1R)-1-[[(2S)-3-[5-[(4-azido-2-hydroxy-5-iodobenzoyl)amino]pentyl-hydroxyphosphoryl]-2-hydroxypropyl]amino]ethyl]benzoic acid"	""	"CGP-71872|CGP71872"	"[N-]=[N+]=Nc1cc(O)c(cc1I)C(=O)NCCCCCP(=O)(C[C@H](CN[C@@H](c1cccc(c1)C(=O)O)C)O)O"	"IHFUJPDKHJTHGQ-QAPCUYQASA-N"	"InChI=1S/C24H31IN5O7P/c1-15(16-6-5-7-17(10-16)24(34)35)28-13-18(31)14-38(36,37)9-4-2-3-8-27-23(33)19-11-20(25)21(29-30-26)12-22(19)32/h5-7,10-12,15,18,28,31-32H,2-4,8-9,13-14H2,1H3,(H,27,33)(H,34,35)(H,36,37)/t15-,18+/m1/s1"	""	""	""
"5945"	"CGP74514A"	""	"Synthetic organic"	""	""	""	""	"178102568"	"2794188"	""	""	"CHEMBL367625"	""	""	""	""	"2-N-[(1R,2S)-2-aminocyclohexyl]-6-N-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine"	""	"CGP 74514A|CGP-74514A"	"CCn1cnc2c1nc(N[C@@H]1CCCC[C@@H]1N)nc2Nc1cccc(c1)Cl"	"UTBSBSOBZHXMHI-LSDHHAIUSA-N"	"InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1"	""	""	""
"1079"	"CGP7930"	""	"Synthetic organic"	""	""	""	""	"135650080"	"5024764"	""	""	"CHEMBL1256697"	""	""	""	""	"2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol"	""	"CGP 7930|CGP-7930"	"OCC(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C"	"XLWJPQQFJNGUPA-UHFFFAOYSA-N"	"InChI=1S/C19H32O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,20-21H,11-12H2,1-8H3"	""	""	""
"109"	"CGS-12066"	""	"Synthetic organic"	""	""	""	""	"135650081"	"2689"	""	""	"CHEMBL27403"	""	""	""	""	"4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline"	""	"CGS 12066|CGS 12066B|CGS-12066A|CGS-12066B|CGS12066"	"CN1CCN(CC1)c1nc2cc(ccc2n2c1ccc2)C(F)(F)F"	"LXFHSCDLMBZYKY-UHFFFAOYSA-N"	"InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3"	""	""	""
"384"	"CGS 15943"	""	"Synthetic organic"	""	""	""	""	"135650082"	"2690"	""	""	"CHEMBL16687"	""	""	""	""	"9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine"	""	"CGS 15943A|CGS-15943|CGS15943"	"Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1"	"MSJODEOZODDVGW-UHFFFAOYSA-N"	"InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)"	""	""	""
"375"	"CGS 21680"	""	"Synthetic organic"	""	""	""	""	"135650083"	"3086599"	""	""	"CHEMBL331372"	""	""	""	""	"3-[4-[2-[[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid"	""	"CGS-21680|CGS21680"	"CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N"	"PAOANWZGLPPROA-RQXXJAGISA-N"	"InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1"	""	""	""
"418"	"CGS 24012"	""	"Synthetic organic"	""	""	""	""	"135650084"	"10391971"	""	""	"CHEMBL2094089"	""	""	""	""	"(2R,3R,4S,5R)-2-[6-[[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	""	"CGS-24012|CGS24012|DPMA"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCC(c1ccccc1C)c1cc(OC)cc(c1)OC"	"BUHVIAUBTBOHAG-FOYDDCNASA-N"	"InChI=1S/C27H31N5O6/c1-15-6-4-5-7-19(15)20(16-8-17(36-2)10-18(9-16)37-3)11-28-25-22-26(30-13-29-25)32(14-31-22)27-24(35)23(34)21(12-33)38-27/h4-10,13-14,20-21,23-24,27,33-35H,11-12H2,1-3H3,(H,28,29,30)/t20?,21-,23-,24-,27-/m1/s1"	""	""	""
"8846"	"CGS-27023A"	""	"Synthetic organic"	""	""	""	""	"252827503"	"446504"	""	""	"CHEMBL267178"	""	""	""	""	"(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide"	""	"CGS 27023A|CGS27023A|MMI270"	"ONC(=O)[C@H](N(S(=O)(=O)c1ccc(cc1)OC)Cc1cccnc1)C(C)C"	"BSIZUMJRKYHEBR-QGZVFWFLSA-N"	"InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1"	""	""	""
"4156"	"CGS8216"	""	"Synthetic organic"	""	""	""	""	"178100977"	"104916"	""	""	"CHEMBL19732"	""	""	""	""	"2-phenyl-1H,2H,3H-pyrazolo[4,3-c]quinolin-3-one"	""	"CGS 8216|CGS-8216"	"O=c1n([nH]c2c1cnc1c2cccc1)c1ccccc1"	"XTYGFVVANLMBHE-UHFFFAOYSA-N"	"InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H"	""	""	""
"2006"	"CH 275"	""	"Peptide"	""	""	""	""	"135652057"	"0"	""	""	""	""	""	""	""	""	""	"CH-275|desAA<sup>1,2,5</sup>[D-Trp<sup>8</sup>,IAmp<sup>9</sup>]somatostatin-14"	""	""	""	""	""	""
"9844"	"CH-4051"	""	"Synthetic organic"	""	""	""	""	"363894138"	"11532464"	""	""	""	""	""	""	""	"(2S)-2-[[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid"	""	"Formula (10) [WO2012078708A1]"	"OC(=O)[C@@H](NC(=O)c1ccc(cc1)CCc1ccc2c(c1)c(N)nc(n2)N)CC(=C)C(=O)O"	"NAWXUBYGYWOOIX-SFHVURJKSA-N"	"InChI=1S/C23H23N5O5/c1-12(21(30)31)10-18(22(32)33)26-20(29)15-7-4-13(5-8-15)2-3-14-6-9-17-16(11-14)19(24)28-23(25)27-17/h4-9,11,18H,1-3,10H2,(H,26,29)(H,30,31)(H,32,33)(H4,24,25,27,28)/t18-/m0/s1"	"yes"	""	""
"9910"	"CH4987655"	""	"Synthetic organic"	""	""	""	""	"363894204"	"11548630"	""	""	"CHEMBL1614766"	""	""	""	""	"3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxooxazinan-2-yl)methyl]benzamide"	""	"compound 24 [PMID: 21316218]|RO4987655"	"OCCONC(=O)c1cc(CN2OCCCC2=O)c(c(c1Nc1ccc(cc1F)I)F)F"	"FIMYFEGKMOCQKT-UHFFFAOYSA-N"	"InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)"	""	""	""
"12237"	"CH7057288"	""	"Synthetic organic"	""	""	""	""	"473153825"	"131839646"	""	""	"CHEMBL4457566"	""	""	""	""	"N-tert-butyl-2-[2-[8-(methanesulfonamido)-6,6-dimethyl-11-oxonaphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methylpyridine-4-carboxamide"	""	"CH-7057288|compound 7 [PMID: 36066182]"	"Cc1cc(cc(n1)C#Cc1ccc2c3C(=O)c4ccc(NS(=O)(=O)C)cc4C(C)(C)c3oc2c1)C(=O)NC(C)(C)C"	"DCGOHGQJHJXBGW-UHFFFAOYSA-N"	"InChI=1S/C32H31N3O5S/c1-18-14-20(30(37)34-31(2,3)4)16-21(33-18)10-8-19-9-12-24-26(15-19)40-29-27(24)28(36)23-13-11-22(35-41(7,38)39)17-25(23)32(29,5)6/h9,11-17,35H,1-7H3,(H,34,37)"	""	""	""
"12985"	"CH7233163"	""	"Synthetic organic"	""	""	""	""	"485206106"	"154701097"	""	""	""	""	""	""	""	"N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-(2,2,2-trifluoroethoxy)pyrido[4,3-b]indol-3-amine"	""	"CH-7233163"	"CC(C)N1C2=CC(=NC=C2C3=C1C=C(C=C3OCC(F)(F)F)N4CCN(CC4)C)NC5=NC(=NC=C5)C6=CN(N=C6)S(=O)(=O)C7CC7"	"KMBMYNDPNVGEFI-UHFFFAOYSA-N"	"InChI=1S/C31H34F3N9O3S/c1-19(2)43-24-14-28(38-27-6-7-35-30(39-27)20-15-37-42(17-20)47(44,45)22-4-5-22)36-16-23(24)29-25(43)12-21(41-10-8-40(3)9-11-41)13-26(29)46-18-31(32,33)34/h6-7,12-17,19,22H,4-5,8-11,18H2,1-3H3,(H,35,36,38,39)"	""	""	""
"8388"	"chaetocin"	""	"Natural product"	""	""	""	""	"252166599"	"161591"	""	""	""	""	""	""	""	""	""	""	"OCC12SSC3(N(C1=O)C1Nc4c(C1(C3)C13CC56N(C3Nc3c1cccc3)C(=O)C(SS5)(N(C6=O)C)CO)cccc4)C(=O)N2C"	"PZPPOCZWRGNKIR-UHFFFAOYSA-N"	"InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3"	""	""	""
"11058"	"chalcomycin"	""	"Natural product"	""	""	""	""	"405560499"	"6436271"	""	""	""	""	""	""	""	"(1S,2R,3R,6E,8S,9R,10S,12S,14E,16S)-12-hydroxy-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-9-[(2S,3R,4S,6R)-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione"	""	""	"CO[C@H]1C[C@@H](C)O[C@H]([C@@H]1O)O[C@H]1[C@@H](C)/C=C/C(=O)O[C@H](C)[C@@H](CO[C@@H]2O[C@H](C)[C@H]([C@H]([C@H]2OC)OC)O)[C@H]2[C@H](/C=C/C(=O)[C@@](C[C@@H]1C)(C)O)O2"	"KLGADJPDTCIJLO-FCNIXBKESA-N"	"InChI=1S/C35H56O14/c1-17-10-13-26(37)46-20(4)22(16-44-34-32(43-9)31(42-8)27(38)21(5)47-34)30-23(48-30)11-12-25(36)35(6,40)15-18(2)29(17)49-33-28(39)24(41-7)14-19(3)45-33/h10-13,17-24,27-34,38-40H,14-16H2,1-9H3/b12-11+,13-10+/t17-,18-,19+,20+,21+,22+,23-,24-,27+,28+,29-,30-,31+,32+,33-,34+,35-/m0/s1"	""	""	"yes"
"2328"	"charybdotoxin"	""	"Peptide"	""	""	""	""	"135652058"	"56842037"	"P13487"	""	""	""	""	""	""	""	""	"ChTX|ChTX-Lql"	""	""	""	""	""	""
"2329"	"charybdotoxin-GLU32 analog"	""	"Peptide"	""	""	""	""	"135652059"	"0"	""	""	""	""	""	""	""	""	""	"ChTX-GLU32"	""	""	""	""	""	""
"9439"	"[Cha<sup>6</sup>]U-II-(4-11)"	""	"Peptide"	""	""	""	""	"329968379"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5953"	"chelerythrine"	""	"Natural product"	""	""	""	""	"178102576"	"2703"	""	""	"CHEMBL13045"	""	""	""	""	"17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{14,19}]henicosa-1(13),2,4(8),9,11,14,16,18,20-nonaen-21-ium"	""	"broussonpapyrine|cheleritrine|chelerythrine hydroxide|toddalin"	"COc1c(OC)ccc2c1c[n+](C)c1c2ccc2c1cc1OCOc1c2"	"LLEJIEBFSOEYIV-UHFFFAOYSA-N"	"InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1"	""	""	""
"2945"	"chemerin"	"Human"	"Peptide"	""	""	""	""	"135651892"	"0"	"Q99969"	"ENSG00000106538"	""	""	""	""	""	""	""	"RARRES2|retinoic acid receptor responder protein 2|TIG2"	""	""	""	""	""	""
"3422"	"chemerin C-terminal peptide"	""	"Peptide"	""	""	""	""	"178100428"	"11332190"	""	""	""	""	""	""	""	""	""	"bioactive chemerin peptide|chemerin 149-157|chemerin 9|chemerin-9"	"C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O"	"QLVGSBXIQFERFK-NBBYSTNSSA-N"	"InChI=1S/C54H66N10O13/c1-32(47(69)60-41(28-34-14-7-3-8-15-34)51(73)63-43(31-65)54(76)77)58-50(72)40(27-33-12-5-2-6-13-33)61-49(71)39(23-24-45(56)67)59-46(68)30-57-52(74)44-18-11-25-64(44)53(75)42(29-35-16-9-4-10-17-35)62-48(70)38(55)26-36-19-21-37(66)22-20-36/h2-10,12-17,19-22,32,38-44,65-66H,11,18,23-31,55H2,1H3,(H2,56,67)(H,57,74)(H,58,72)(H,59,68)(H,60,69)(H,61,71)(H,62,70)(H,63,73)(H,76,77)/t32-,38-,39-,40-,41-,42-,43-,44-/m0/s1"	""	""	""
"608"	"chenodeoxycholic acid"	""	"Metabolite"	"yes"	""	""	""	"135651455"	"10133"	""	""	"CHEMBL240597"	""	""	""	""	"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid"	"chenodeoxycholic acid"	"CDCA|Chenix&reg;|chenodeoxycholate|Chenodiol&reg;|Ctexli&reg;|Leadiant&reg; (formerly Chenodeoxycholic acid sigma-tau)"	"O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C"	"RUDATBOHQWOJDD-BSWAIDMHSA-N"	"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1"	""	""	""
"4770"	"chenodeoxycholyl-N<sup>&epsilon;</sup>-nitrobenzoxadiazol-lysine"	""	"Synthetic organic"	""	""	"yes"	""	"178101478"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7339"	"CHF-5074"	""	"Synthetic organic"	""	""	""	""	"178103911"	"9996409"	""	""	"CHEMBL196945"	""	""	""	""	"1-[4-(3,4-dichlorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid"	""	"CHF 5074|CHF5074"	"OC(=O)C1(CC1)c1ccc(c(c1)F)c1ccc(c(c1)Cl)Cl"	"LIYLTQQDABRNRX-UHFFFAOYSA-N"	"InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)"	""	""	""
"14269"	"CHF6333"	""	"Synthetic organic"	""	""	""	""	"521588909"	"76285164"	""	""	""	""	""	""	""	"2-[5-cyano-2-[(5R)-6-methoxycarbonyl-7-methyl-3-oxo-8-[3-(trifluoromethyl)phenyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl]phenyl]ethyl-trimethylazanium"	""	"CHF 6333|CHF-6333|Example 47 (cation) [US9828382]"	"CC1=C([C@H](N2C(=O)NN=C2N1C3=CC=CC(=C3)C(F)(F)F)C4=C(C=C(C=C4)C#N)CC[N+](C)(C)C)C(=O)OC"	"IHTRPSMRGYWUIM-HSZRJFAPSA-O"	"InChI=1S/C27H27F3N6O3/c1-16-22(24(37)39-5)23(21-10-9-17(15-31)13-18(21)11-12-36(2,3)4)35-25(32-33-26(35)38)34(16)20-8-6-7-19(14-20)27(28,29)30/h6-10,13-14,23H,11-12H2,1-5H3/p+1/t23-/m1/s1"	""	""	""
"12165"	"CHF-6366"	""	"Synthetic organic"	""	""	""	""	"472319287"	"90200922"	""	""	""	""	""	""	""	"4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]butyl 5-[[3-[(S)-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxycarbonylamino]-phenylmethyl]phenoxy]methyl]-1-methylpyrazole-3-carboxylate"	""	"CHF6366|compound 29 [PMID: 35901125]"	"O=C(O[C@@H]1C2CCN(CC2)C1)N[C@@H](c1ccccc1)c1cc(OCc2cc(C(=O)OCCCCNC[C@H](O)c3c4ccc(=O)[nH]c4c(O)cc3)nn2C)ccc1"	"YWSIONULMMKTSJ-UZGNFBRWSA-N"	"InChI=1S/C42H48N6O8/c1-47-30(23-34(46-47)41(52)54-21-6-5-18-43-24-36(50)32-12-14-35(49)40-33(32)13-15-38(51)44-40)26-55-31-11-7-10-29(22-31)39(28-8-3-2-4-9-28)45-42(53)56-37-25-48-19-16-27(37)17-20-48/h2-4,7-15,22-23,27,36-37,39,43,49-50H,5-6,16-21,24-26H2,1H3,(H,44,51)(H,45,53)/t36-,37-,39-/m0/s1"	""	""	""
"13639"	"CHF-6523"	""	"Synthetic organic"	""	""	""	""	"504705458"	"155166738"	""	""	""	""	""	""	""	"3-[(1S)-1-[4-amino-3-(5-hydroxypyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]isochromen-1-one"	""	"CHF 6523|CHF6523|example 1a [WO2020200918]"	"CN1CCN(CC1)CC2=CC(C=3C4=CC=CC=C4C(OC3[C@H](C)N5C=6N=CN=C(N)C6C(C7=CN=CC(O)=C7)=N5)=O)=CC=C2"	"JSUNXOYZTNBLOP-FQEVSTJZSA-N"	"InChI=1S/C33H32N8O3/c1-20(41-32-28(31(34)36-19-37-32)29(38-41)23-15-24(42)17-35-16-23)30-27(25-8-3-4-9-26(25)33(43)44-30)22-7-5-6-21(14-22)18-40-12-10-39(2)11-13-40/h3-9,14-17,19-20,42H,10-13,18H2,1-2H3,(H2,34,36,37)/t20-/m0/s1"	""	""	""
"10540"	"Chgb (511-532)"	"Rat"	"Peptide"	""	""	""	""	"387271632"	"139600924"	"O35314"	"ENSRNOG00000021269"	""	""	""	""	""	""	""	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1ccccc1)CC(=O)O)CO)CC(=O)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CCCN=C(N)N)CC(C)C)C)CC(C)C)Cc1ccccc1)CC(=O)N)Cc1ccc(cc1)O)Cc1ccccc1)CC(=O)O)CC(C)C)CCC(=O)N"	"USZLWOIXWADXRT-HXRUCQLXSA-N"	"InChI=1S/C127H181N31O34/c1-67(2)52-84(145-110(175)81(36-23-49-136-127(134)135)140-107(172)78(130)33-19-21-47-128)108(173)138-65-102(164)139-70(7)106(171)144-85(53-68(3)4)113(178)146-88(56-72-28-13-9-14-29-72)116(181)154-94(61-101(133)163)124(189)157-50-24-38-98(157)123(188)153-90(58-74-39-41-76(160)42-40-74)115(180)147-89(57-73-30-15-10-16-31-73)117(182)155-95(63-105(169)170)125(190)158-51-25-37-97(158)122(187)152-86(54-69(5)6)112(177)142-82(43-45-99(131)161)111(176)149-91(59-75-64-137-79-34-18-17-32-77(75)79)118(183)141-80(35-20-22-48-129)109(174)150-92(60-100(132)162)119(184)156-96(66-159)121(186)151-93(62-104(167)168)120(185)148-87(55-71-26-11-8-12-27-71)114(179)143-83(126(191)192)44-46-103(165)166/h8-18,26-32,34,39-42,64,67-70,78,80-98,137,159-160H,19-25,33,35-38,43-63,65-66,128-130H2,1-7H3,(H2,131,161)(H2,132,162)(H2,133,163)(H,138,173)(H,139,164)(H,140,172)(H,141,183)(H,142,177)(H,143,179)(H,144,171)(H,145,175)(H,146,178)(H,147,180)(H,148,185)(H,149,176)(H,150,174)(H,151,186)(H,152,187)(H,153,188)(H,154,181)(H,155,182)(H,156,184)(H,165,166)(H,167,168)(H,169,170)(H,191,192)(H4,134,135,136)/t70-,78-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-/m0/s1"	""	""	""
"12287"	"chiglitazar"	""	"Synthetic organic"	"yes"	""	""	""	"473153875"	"71402018"	""	""	"CHEMBL4650349"	""	""	""	""	"(2S)-3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-[2-(4-fluorobenzoyl)anilino]propanoic acid"	""	"Bilessglu&reg;|CS-038|CS038"	"c1ccc2c(c1)c1ccccc1n2CCOc1ccc(cc1)C[C@@H](C(=O)O)Nc1ccccc1C(=O)c1ccc(cc1)F"	"QNLWMPLUWMWDMQ-YTTGMZPUSA-N"	"InChI=1S/C36H29FN2O4/c37-26-17-15-25(16-18-26)35(40)30-9-1-4-10-31(30)38-32(36(41)42)23-24-13-19-27(20-14-24)43-22-21-39-33-11-5-2-7-28(33)29-8-3-6-12-34(29)39/h1-20,32,38H,21-23H2,(H,41,42)/t32-/m0/s1"	""	""	""
"11017"	"chinfloxacin"	""	"Synthetic organic"	""	""	""	""	"405560458"	"75253538"	""	""	""	""	""	""	""	"7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid"	""	""	"FC(Oc1c(N2CC3C(C2)CCCN3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1)F"	"KNLARSZRTBDTIA-UHFFFAOYSA-N"	"InChI=1S/C21H22F3N3O4/c22-14-6-12-16(27(11-3-4-11)8-13(18(12)28)20(29)30)19(31-21(23)24)17(14)26-7-10-2-1-5-25-15(10)9-26/h6,8,10-11,15,21,25H,1-5,7,9H2,(H,29,30)"	""	""	"yes"
"3724"	"CHIPS"	""	"Peptide"	""	""	""	""	"178100597"	"0"	""	""	""	""	""	""	""	""	""	"chemotaxis inhibitory protein of <i>S. aureus</i>"	""	""	""	""	""	""
"5770"	"CHIPS-(28-149)"	""	"Peptide"	""	""	""	""	"178102395"	"0"	""	""	""	""	""	""	""	""	""	"CHIPS<sub>28-149</sub>"	""	""	""	""	""	""
"9365"	"CHIR-124"	""	"Synthetic organic"	""	""	""	""	"328083467"	"135399748"	""	""	"CHEMBL377312"	""	""	""	""	"4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-6-chloro-3-(1,3-dihydrobenzimidazol-2-ylidene)quinolin-2-one"	""	"CHIR124|compound 11 [PMID: 6603354]"	"Clc1ccc2=NC(=O)C(=c3[nH]c4c([nH]3)cccc4)C(=c2c1)N[C@@H]1CN2CCC1CC2"	"VBIIUHUSFOLTIU-LJQANCHMSA-N"	"InChI=1S/C23H22ClN5O/c24-14-5-6-16-15(11-14)21(25-19-12-29-9-7-13(19)8-10-29)20(23(30)28-16)22-26-17-3-1-2-4-18(17)27-22/h1-6,11,13,19,25-27H,7-10,12H2/t19-/m1/s1"	""	""	""
"5674"	"CHIR-265"	""	"Synthetic organic"	""	""	""	""	"178102301"	"11656518"	""	""	"CHEMBL558752"	""	""	""	""	"1-methyl-5-({2-[4-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)-N-[4-(trifluoromethyl)phenyl]-1H-1,3-benzodiazol-2-amine"	""	"CHIR 265|CHIR265|RAF 265|RAF-265|RAF265"	"Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2c1ccc(c2)Oc1ccnc(c1)c1[nH]cc(n1)C(F)(F)F"	"YABJJWZLRMPFSI-UHFFFAOYSA-N"	"InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)"	""	""	""
"8016"	"CHIR-98014"	""	"Synthetic organic"	""	""	""	""	"249565696"	"53396311"	""	""	"CHEMBL3185148"	""	""	""	""	"6-N-[2-[[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine"	""	"CHIR 98014|CHIR98014"	"Clc1ccc(c(c1)Cl)c1nc(NCCNc2ccc(c(n2)N)[N+](=O)[O-])ncc1n1cncc1"	"MDZCSIDIPDZWKL-UHFFFAOYSA-N"	"InChI=1S/C20H17Cl2N9O2/c21-12-1-2-13(14(22)9-12)18-16(30-8-7-24-11-30)10-27-20(29-18)26-6-5-25-17-4-3-15(31(32)33)19(23)28-17/h1-4,7-11H,5-6H2,(H3,23,25,28)(H,26,27,29)"	""	""	""
"5954"	"Chk2 inhibitor II"	""	"Synthetic organic"	""	""	""	""	"178102577"	"9969021"	""	""	"CHEMBL179583"	""	""	""	""	"2-[4-(4-chlorophenoxy)phenyl]-1H-1,3-benzodiazole-6-carboxamide"	""	""	"Clc1ccc(cc1)Oc1ccc(cc1)c1nc2c([nH]1)cc(cc2)C(=O)N"	"UXGJAOIJSROTTN-UHFFFAOYSA-N"	"InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)"	""	""	""
"7324"	"chlophedianol"	""	"Synthetic organic"	"yes"	""	""	""	"178103896"	"2795"	""	""	"CHEMBL1201313"	""	""	""	""	"1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol"	"clofedanol"	"SL-501|Ulone&reg;"	"CN(CCC(c1ccccc1Cl)(c1ccccc1)O)C"	"WRCHFMBCVFFYEQ-UHFFFAOYSA-N"	"InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3"	""	""	""
"7143"	"chlorambucil"	""	"Synthetic organic"	"yes"	""	""	""	"178103719"	"2708"	""	""	"CHEMBL515"	""	""	""	""	"4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid"	"chlorambucil"	"chlorbutin|Leukeran&reg;"	"ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl"	"JCKYGMPEJWAADB-UHFFFAOYSA-N"	"InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)"	""	""	""
"10901"	"chloramphenicol"	""	"Natural product"	"yes"	""	""	""	"405560342"	"5959"	""	""	"CHEMBL130"	""	""	""	""	"2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide"	"chloramphenicol"	"Brolene&reg;|chloromycetin"	"OC[C@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl"	"WIIZWVCIJKGZOK-RKDXNWHRSA-N"	"InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1"	""	""	"yes"
"2831"	"chlordane"	""	"Synthetic organic"	""	""	""	""	"135650085"	"5993"	""	""	"CHEMBL196537"	""	""	""	""	"1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene"	""	"chlordan"	"ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl"	"BIWJNBZANLAXMG-UHFFFAOYSA-N"	"InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2"	""	""	""
"3370"	"chlordiazepoxide"	""	"Synthetic organic"	"yes"	""	""	""	"178100393"	"2712"	""	""	"CHEMBL451"	""	""	""	""	"7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine"	"chlordiazepoxide"	"chlordiazepoxide HCl|Librium&reg;|Lygen&reg;"	"CNC1=Nc2ccc(cc2C(=[N+](C1)[O-])c1ccccc1)Cl"	"ANTSCNMPPGJYLG-UHFFFAOYSA-N"	"InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)"	""	""	""
"14052"	"chlorhexidine"	""	"Synthetic organic"	"yes"	""	""	""	"518520679"	"9552079"	""	""	"CHEMBL790"	""	""	""	""	"(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine"	"chlorhexidine"	""	"C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl"	"GHXZTYHSJHQHIJ-UHFFFAOYSA-N"	"InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)"	""	""	"yes"
"7323"	"chlormezanone"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103895"	"2717"	""	""	"CHEMBL1200714"	""	""	""	""	"2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one"	"chlormezanone"	"chlormethazanone|Fenaprim&reg;|Trancopa&reg;"	"CN1C(=O)CCS(=O)(=O)C1c1ccc(cc1)Cl"	"WEQAYVWKMWHEJO-UHFFFAOYSA-N"	"InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3"	""	""	""
"4158"	"chlorobenzylidene malononitrile"	""	"Synthetic organic"	""	""	""	""	"178100978"	"17604"	""	""	"CHEMBL1256101"	""	""	""	""	"2-[(2-chlorophenyl)methylidene]propanedinitrile"	""	"2-chlorobenzylidene malononitrile|alonitrile|CS gas (lacrimator)"	"N#CC(=Cc1ccccc1Cl)C#N"	"JJNZXLAFIPKXIG-UHFFFAOYSA-N"	"InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H"	""	""	""
"11044"	"chlorocardicin"	""	"Natural product"	""	""	""	""	"405560485"	"9577949"	""	""	""	""	""	""	""	"(2R)-2-amino-4-[4-[(E)-C-[[(3S)-1-[(R)-carboxy-(3-chloro-4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl]-N-hydroxycarbonimidoyl]phenoxy]butanoic acid"	""	""	"O/N=C(\c1ccc(cc1)OCC[C@H](C(=O)O)N)/C(=O)N[C@H]1CN(C1=O)[C@H](c1ccc(c(c1)Cl)O)C(=O)O"	"UMDAIHWMUXNVSB-IMUCLJOZSA-N"	"InChI=1S/C23H23ClN4O9/c24-14-9-12(3-6-17(14)29)19(23(34)35)28-10-16(21(28)31)26-20(30)18(27-36)11-1-4-13(5-2-11)37-8-7-15(25)22(32)33/h1-6,9,15-16,19,29,36H,7-8,10,25H2,(H,26,30)(H,32,33)(H,34,35)/b27-18+/t15-,16+,19-/m1/s1"	""	""	"yes"
"2503"	"chloroform"	""	"Synthetic organic"	""	""	""	""	"178100227"	"6212"	""	""	"CHEMBL44618"	""	""	""	""	"Chloroform"	""	""	"ClC(Cl)Cl"	"HEDRZPFGACZZDS-UHFFFAOYSA-N"	"InChI=1S/CHCl3/c2-1(3)4/h1H"	""	""	""
"12477"	"chlorogenic acid"	""	"Natural product"	""	""	""	""	"479821267"	"1794427"	""	""	"CHEMBL284616"	""	""	""	""	"(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid"	""	"3-O-caffeoylquinic acid|caffeoyl quinic acid|chlorogenate"	"C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O"	"CWVRJTMFETXNAD-JUHZACGLSA-N"	"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1"	""	""	""
"6292"	"chloropicrin"	""	"Synthetic organic"	""	""	""	""	"178102912"	"6423"	""	""	"CHEMBL1327143"	""	""	""	""	"trichloro-nitromethane"	""	"nitrotrichloromethane|trichloronitromethane"	"ClC([N+](=O)[O-])(Cl)Cl"	"LFHISGNCFUNFFM-UHFFFAOYSA-N"	"InChI=1S/CCl3NO2/c2-1(3,4)5(6)7"	""	""	""
"7145"	"chloroprocaine"	""	"Synthetic organic"	"yes"	""	""	""	"178103720"	"8612"	""	""	"CHEMBL1179047"	""	""	""	""	"2-(diethylamino)ethyl 4-amino-2-chlorobenzoate"	"chloroprocaine"	"chloroprocaine hydrochloride|Nesacaine&reg;"	"CCN(CCOC(=O)c1ccc(cc1Cl)N)CC"	"VDANGULDQQJODZ-UHFFFAOYSA-N"	"InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3"	""	""	""
"5535"	"chloroquine"	""	"Synthetic organic"	"yes"	""	""	""	"178102177"	"2719"	""	""	"CHEMBL76"	""	""	""	""	"N'-(7-chloroquinolin-4-yl)-N,N-diethylpentane-1,4-diamine"	"chloroquine"	"Aralen&reg;|chloraquine|Malaquin&reg;"	"CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC"	"WHTVZRBIWZFKQO-UHFFFAOYSA-N"	"InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)"	"yes"	"yes"	""
"4835"	"chlorothiazide"	""	"Synthetic organic"	"yes"	""	""	""	"178101537"	"2720"	""	""	"CHEMBL842"	""	""	""	""	"6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide"	"chlorothiazide"	"Diuril&reg;"	"Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N"	"JBMKAUGHUNFTOL-UHFFFAOYSA-N"	"InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)"	""	""	""
"13589"	"chlorotonil A"	""	"Natural product"	""	""	""	""	"504705408"	"24742044"	""	""	"CHEMBL4290170"	""	""	""	""	"(1S,2R,3Z,5E,7S,10S,14R,15R,16S,20S)-12,12-dichloro-2,7,10,16,18-pentamethyl-8-oxatricyclo[12.8.0.0<sup>15,20</sup>]docosa-3,5,17,21-tetraene-9,11,13-trione"	""	""	"C[C@@H]1/C=C\C=C\[C@@H](OC(=O)[C@H](C(=O)C(C(=O)[C@@H]2[C@H]1C=C[C@H]3[C@H]2[C@@H](C=C(C3)C)C)(Cl)Cl)C)C"	"RQYZFUUTQJMTMJ-JCSZEPHKSA-N"	"InChI=1S/C26H32Cl2O4/c1-14-12-16(3)21-19(13-14)10-11-20-15(2)8-6-7-9-17(4)32-25(31)18(5)23(29)26(27,28)24(30)22(20)21/h6-12,15-22H,13H2,1-5H3/b8-6-,9-7+/t15-,16-,17+,18+,19-,20+,21-,22-/m1/s1"	""	"yes"	"yes"
"7146"	"chlorotrianisene"	""	"Synthetic organic"	"yes"	""	""	""	"178103721"	"11289"	""	""	"CHEMBL1200761"	""	""	""	""	"1-[2-chloro-1,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene"	"chlorotrianisene"	"chlortrianisestrol|Tace&reg;"	"COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC"	"BFPSDSIWYFKGBC-UHFFFAOYSA-N"	"InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3"	""	""	""
"1210"	"(+)-chlorpheniramine"	""	"Synthetic organic"	""	""	""	""	"135650087"	"33036"	""	""	"CHEMBL1201353"	""	""	""	""	"(3S)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine"	"chlorphenamine"	"chlorphenamine"	"CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C"	"SOYKEARSMXGVTM-HNNXBMFYSA-N"	"InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1"	""	""	""
"1213"	"(-)-chlorpheniramine"	""	"Synthetic organic"	""	""	""	""	"135650086"	"716121"	""	""	"CHEMBL1554789"	""	""	""	""	"(3R)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine"	"chlorphenamine"	""	"CN(CC[C@@H](c1ccccn1)c1ccc(cc1)Cl)C"	"SOYKEARSMXGVTM-OAHLLOKOSA-N"	"InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m1/s1"	""	""	""
"6976"	"chlorpheniramine"	""	"Synthetic organic"	"yes"	""	""	""	"178103555"	"2725"	""	""	"CHEMBL505"	""	""	""	""	"3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine"	"chlorphenamine"	"chlorprophenpyridamine maleate|Phenetron&reg;|Teldrin&reg;"	"CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C"	"SOYKEARSMXGVTM-UHFFFAOYSA-N"	"InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3"	""	""	""
"83"	"chlorpromazine"	""	"Synthetic organic"	"yes"	""	""	""	"135650088"	"2726"	""	""	"CHEMBL71"	""	""	""	""	"3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine"	"chlorpromazine"	"chlorpromazine HCl|Largactil&reg;|Thorazine&reg;"	"CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C"	"ZPEIMTDSQAKGNT-UHFFFAOYSA-N"	"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3"	""	""	""
"6801"	"chlorpropamide"	""	"Synthetic organic"	"yes"	""	""	""	"178103407"	"2727"	""	""	"CHEMBL498"	""	""	""	""	"1-(4-chlorobenzenesulfonyl)-3-propylurea"	"chlorpropamide"	"Diabenese&reg;|Glucamide&reg;"	"CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1"	"RKWGIWYCVPQPMF-UHFFFAOYSA-N"	"InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)"	""	""	""
"11976"	"chlorprothixene"	""	"Synthetic organic"	"yes"	""	""	""	"464244117"	"667467"	""	""	"CHEMBL908"	""	""	""	""	"(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine"	"chlorprothixene"	"N-714|Ro-4-0403|Taractan&reg;|Truxal&reg;"	"CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl"	"WSPOMRSOLSGNFJ-AUWJEWJLSA-N"	"InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-"	""	""	""
"13537"	"chlortetracycline"	""	"Natural product"	"yes"	""	""	""	"500839947"	"54675777"	""	""	"CHEMBL404520"	""	""	""	""	"(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide"	"chlortetracycline"	"Aureomycin&reg;"	"O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(N)=O)C1=O)(C[C@]3(C(=C2O)C(=O)C=4C([C@@]3(C)O)=C(Cl)C=CC4O)[H])[H]"	"CYDMQBQPVICBEU-XRNKAMNCSA-N"	"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1"	""	""	"yes"
"7147"	"chlorthalidone"	""	"Synthetic organic"	"yes"	""	""	""	"178103722"	"2732"	""	""	"CHEMBL1055"	""	""	""	""	"2-chloro-5-(1,3-dihydroxy-1H-isoindol-1-yl)benzene-1-sulfonamide"	"chlortalidone"	"G-33182|Hygroton&reg;"	"Clc1ccc(cc1S(=O)(=O)N)C1(O)N=C(c2c1cccc2)O"	"JIVPVXMEBJLZRO-UHFFFAOYSA-N"	"InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)"	""	""	""
"2322"	"chlorzoxazone"	""	"Synthetic organic"	"yes"	""	""	""	"135650089"	"2733"	""	""	"CHEMBL1371"	""	""	""	""	"5-chloro-3H-1,3-benzoxazol-2-one"	"chlorzoxazone"	"Paraflex&reg;"	"Clc1ccc2c(c1)[nH]c(=O)o2"	"TZFWDZFKRBELIQ-UHFFFAOYSA-N"	"InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)"	""	""	""
"9516"	"CHMFL-BTK-11"	""	"Synthetic organic"	""	""	""	""	"336446903"	"126970680"	""	""	""	""	""	""	""	"N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-1-yl)-1H,2H,3H,4H-benzo[h]1,6-naphthyridin-1-yl]phenyl}prop-2-enamide"	""	""	"C=CC(=O)Nc1cc(ccc1C)N1C(=O)CCc2c1c1cc(ccc1nc2)n1cccn1"	"AANOKQLITQDWQD-UHFFFAOYSA-N"	"InChI=1S/C25H21N5O2/c1-3-23(31)28-22-14-19(7-5-16(22)2)30-24(32)10-6-17-15-26-21-9-8-18(13-20(21)25(17)30)29-12-4-11-27-29/h3-5,7-9,11-15H,1,6,10H2,2H3,(H,28,31)"	"yes"	""	""
"10420"	"CHMFL-KIT-64"	""	"Synthetic organic"	""	""	""	""	"385612180"	"139030518"	""	""	""	""	""	""	""	"2-(4-Chloro-3-(trifluoromethyl)phenyl)-N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)phenyl)acetamide"	""	"compound 18 [PMID: 31250638]"	"COc1cc2nccc(c2cc1OC)Oc1ccc(cc1)NC(=O)Cc1ccc(c(c1)C(F)(F)F)Cl"	"YOHLRCOPRAVUCJ-UHFFFAOYSA-N"	"InChI=1S/C26H20ClF3N2O4/c1-34-23-13-18-21(14-24(23)35-2)31-10-9-22(18)36-17-6-4-16(5-7-17)32-25(33)12-15-3-8-20(27)19(11-15)26(28,29)30/h3-11,13-14H,12H2,1-2H3,(H,32,33)"	""	""	""
"9301"	"CHMFL-KIT-8140"	""	"Synthetic organic"	""	""	""	""	"318164820"	"122173995"	""	""	""	""	""	""	""	"N-[(1-{4-[({3-[(6,7-dimethoxyquinolin-3-yl)oxy]phenyl}carbamoyl)amino]-2-(trifluoromethyl)phenyl}piperidin-4-yl)methyl]propanamide"	""	""	"CCC(=O)NCC1CCN(CC1)c1ccc(cc1C(F)(F)F)NC(=O)Nc1cccc(c1)Oc1cnc2c(c1)cc(c(c2)OC)OC"	"QNWLWBMZIXFBPZ-UHFFFAOYSA-N"	"InChI=1S/C34H36F3N5O5/c1-4-32(43)39-19-21-10-12-42(13-11-21)29-9-8-24(17-27(29)34(35,36)37)41-33(44)40-23-6-5-7-25(16-23)47-26-14-22-15-30(45-2)31(46-3)18-28(22)38-20-26/h5-9,14-18,20-21H,4,10-13,19H2,1-3H3,(H,39,43)(H2,40,41,44)"	""	""	""
"11285"	"CHMFL-PI4K-127"	""	"Synthetic organic"	""	""	""	""	"434321720"	"141754964"	""	""	""	""	""	""	""	"6'-chloro-N-methyl-5'-(phenylsulfonamido)-[3,3'-bipyridine]-5-carboxamide"	""	""	"CNC(=O)c1cncc(c1)c1cnc(c(c1)NS(=O)(=O)c1ccccc1)Cl"	"IHWSJFBJORCEAK-UHFFFAOYSA-N"	"InChI=1S/C18H15ClN4O3S/c1-20-18(24)14-7-12(9-21-10-14)13-8-16(17(19)22-11-13)23-27(25,26)15-5-3-2-4-6-15/h2-11,23H,1H3,(H,20,24)"	""	"yes"	""
"2802"	"cholesten"	""	"Metabolite"	""	""	""	""	"135651456"	"6857534"	""	""	""	""	""	""	""	"(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene"	""	"alpha-cholestane|cholestan|cholestane"	"CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2[C@]1(C)CCCC2)C)C"	"XIIAYQZJNBULGD-LDHZKLTISA-N"	"InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1"	""	""	""
"2718"	"cholesterol"	""	"Metabolite"	""	""	""	""	"135651457"	"5997"	""	""	"CHEMBL112570"	""	""	""	""	"10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"	""	"cholest-5-en-3&beta;-ol"	"CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C)C"	"HVYWMOMLDIMFJA-DPAQBDIFSA-N"	"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1"	""	""	""
"2738"	"cholesterol sulphate"	""	"Metabolite"	""	""	""	""	"135651458"	"65076"	""	""	"CHEMBL1231592"	""	""	""	""	"[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate"	""	"cholesteryl sulfate"	"CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)O)C)C"	"BHYOQNUELFTYRT-DPAQBDIFSA-N"	"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1"	""	""	""
"609"	"cholic acid"	""	"Metabolite"	"yes"	""	""	""	"135651459"	"221493"	""	""	"CHEMBL205596"	""	""	""	""	"(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid"	""	"CA|cholate|Cholbam&reg;|Kolbam&reg;|Orphacol&Reg;"	"O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C"	"BHQCQFFYRZLCQQ-OELDTZBJSA-N"	"InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1"	""	""	""
"4551"	"choline"	""	"Metabolite"	""	""	""	""	"178101272"	"305"	""	""	"CHEMBL920"	""	""	""	""	"(2-hydroxyethyl)trimethylazanium"	"choline chloride|choline fenofibrate|choline gluconate|choline salicylate|choline theophyllinate"	""	"OCC[N+](C)(C)C"	"OEYIOHPDSNJKLS-UHFFFAOYSA-N"	"InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1"	""	""	""
"6616"	"chondroitin sulphate proteoglycan 3"	"Human"	"Peptide"	""	""	""	""	"178103229"	"0"	"O14594"	"ENSG00000130287"	""	""	""	""	""	""	""	"CSPG3|neurocan"	""	""	""	""	""	""
"4893"	"choriomammotropin"	"Human"	"Peptide"	""	""	""	""	"178101593"	"0"	"P0DML2|P0DML3"	"ENSG00000136488|ENSG00000213218"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4396"	"chorionic gonadotropin beta subunit"	"Human"	"Peptide"	""	""	""	""	"135651935"	"0"	"P01233"	"ENSG00000104827"	""	""	""	""	""	""	""	"CG-beta|choriogonadotropin subunit beta|chorionic gonadotrophin chain beta"	""	""	""	""	""	""
"4894"	"chorionic somatomammotropin hormone-like 1 "	"Human"	"Peptide"	""	""	""	""	"178101594"	"0"	"Q14406"	"ENSG00000204414"	""	""	""	""	""	""	""	"chorionic somatomammotropin-like|lactogen-like"	""	""	""	""	""	""
"1417"	"CHPG"	""	"Synthetic organic"	""	""	""	""	"135650090"	"3645780"	""	""	"CHEMBL345498"	""	""	""	""	"2-amino-2-(2-chloro-5-hydroxyphenyl)acetic acid"	""	"2-chloro-5-hydroxyphenylglycine"	"OC(=O)C(c1cc(O)ccc1Cl)N"	"UNIDAFCQFPGYJJ-UHFFFAOYSA-N"	"InChI=1S/C8H8ClNO3/c9-6-2-1-4(11)3-5(6)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)"	""	""	""
"8391"	"CHR-3996"	""	"Synthetic organic"	""	""	""	""	"252166602"	"49857317"	""	""	"CHEMBL1801250"	""	""	""	""	"2-[(1R,5S,6R)-6-{[(6-fluoroquinolin-2-yl)methyl]amino}-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide"	""	"CHR 3996|CHR3996|compound 21r [PMID 21080647]"	"ONC(=O)c1cnc(nc1)N1C[C@@H]2[C@H](C1)[C@H]2NCc1ccc2c(n1)ccc(c2)F"	"QRGHOAATPOLDPF-VQFNDLOPSA-N"	"InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+"	""	""	""
"664"	"chroman 28"	""	"Synthetic organic"	""	""	""	""	"135650091"	"16108961"	""	""	"CHEMBL415848"	""	""	""	""	"(3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(4R)-7-(piperidin-1-ylmethyl)chroman-4-yl]propanamide"	""	""	"O=C(C[C@H](c1ccccc1)NS(=O)(=O)c1ccc2c(c1)cccc2)N[C@@H]1CCOc2c1ccc(c2)CN1CCCCC1"	"IQPWKAIEQBOLPJ-ROJLCIKYSA-N"	"InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1"	""	""	""
"5165"	"chromogranin A"	"Human"	"Peptide"	""	""	""	""	"178101855"	"0"	"P10645"	"ENSG00000100604"	""	""	""	""	""	""	""	"CgA|pituitary secretory protein I|SP-1"	""	""	""	""	""	""
"8789"	"chrysin"	""	"Natural product"	""	""	""	""	"252827447"	"5281607"	""	""	"CHEMBL117"	""	""	""	""	"5,7-dihydroxy-2-phenylchromen-4-one"	""	"NSC-407436"	"Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1"	"RTIXKCRFFJGDFG-UHFFFAOYSA-N"	"InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H"	""	""	"yes"
"3755"	"[(CH<sub>2</sub>NH)<sup>4,5</sup>]secretin"	""	"Peptide"	""	""	""	""	"178100608"	"0"	""	""	""	""	""	""	""	""	""	"[&psi;4,5]secretin"	""	""	""	""	""	""
"14030"	"ChTX-Lq2"	""	"Peptide"	""	""	""	""	"518520657"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"872"	"CI-1015"	""	"Synthetic organic"	""	""	""	""	"135650092"	"3074331"	""	""	""	""	""	""	""	"1-adamantyl N-[(2R)-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate"	""	"CI 1015|CI1015|PD 144598"	"O=C(N[C@@](C(=O)N[C@H]1CCCC[C@@H]1O)(Cc1c[nH]c2c1cccc2)C)OC12CC3CC(C2)CC(C1)C3"	"UOFRODPUIMDZTB-HDCXSGMISA-N"	"InChI=1S/C29H39N3O4/c1-28(26(34)31-24-8-4-5-9-25(24)33,16-21-17-30-23-7-3-2-6-22(21)23)32-27(35)36-29-13-18-10-19(14-29)12-20(11-18)15-29/h2-3,6-7,17-20,24-25,30,33H,4-5,8-16H2,1H3,(H,31,34)(H,32,35)/t18?,19?,20?,24-,25-,28+,29?/m0/s1"	""	""	""
"5676"	"CI-1040"	""	"Synthetic organic"	""	""	""	""	"178102303"	"6918454"	""	""	"CHEMBL105442"	""	""	""	""	"2-[(2-chloro-4-iodophenyl)amino]-N-(cyclopropylmethoxy)-3,4-difluorobenzamide"	""	"CI 1040|CI1040|PD-184352|PD184352"	"Ic1ccc(c(c1)Cl)Nc1c(ccc(c1F)F)C(=O)NOCC1CC1"	"GFMMXOIFOQCCGU-UHFFFAOYSA-N"	"InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)"	""	""	""
"4612"	"CI-966"	""	"Synthetic organic"	""	""	""	""	"178101332"	"198693"	""	""	"CHEMBL77287"	""	""	""	""	"1-(2-{bis[4-(trifluoromethyl)phenyl]methoxy}ethyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid"	""	"CI 966|CI966"	"OC(=O)C1=CCCN(C1)CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F"	"CMHQDSBIBSKHFP-UHFFFAOYSA-N"	"InChI=1S/C23H21F6NO3/c24-22(25,26)18-7-3-15(4-8-18)20(16-5-9-19(10-6-16)23(27,28)29)33-13-12-30-11-1-2-17(14-30)21(31)32/h2-10,20H,1,11-14H2,(H,31,32)"	""	""	""
"873"	"CI-988"	""	"Synthetic organic"	""	""	""	""	"135650093"	"108187"	""	""	""	""	""	""	""	"4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid"	""	"CI 988|CI988|PD 134308|PD-134,308|PD-134308"	"O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O"	"FVQSSYMRZKLFDR-ZABPBAJSSA-N"	"InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21?,22?,24?,25?,29-,32?,35+/m0/s1"	""	""	""
"12913"	"CIAC001"	""	"Synthetic organic"	""	""	""	""	"485206034"	"168510601"	""	""	""	""	""	""	""	"(1′R,2′R)-4-(1-(2H-1,2,3-Triazol-2-yl)ethyl)-5′-methyl-2′-(prop-1-en-2-yl)-1′,2′,3′,4′-tetrahydro-[1,1′-biphenyl]-2,6-diol"	""	""	"CC1=C[C@@H](C2=C(O)C=C(C(N3N=CC=N3)C)C=C2O)[C@H](C(C)=C)CC1"	"AGJUGOFAIPQXTD-MWSTZMHHSA-N"	"InChI=1S/C20H25N3O2/c1-12(2)16-6-5-13(3)9-17(16)20-18(24)10-15(11-19(20)25)14(4)23-21-7-8-22-23/h7-11,14,16-17,24-25H,1,5-6H2,2-4H3/t14?,16-,17+/m0/s1"	""	""	""
"9677"	"cibinetide"	""	"Peptide"	""	""	""	""	"348353636"	"91810664"	""	""	"CHEMBL3545305"	""	""	""	""	"(4S)-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid"	"cibinetide"	"ARA 290|ARA-290|PH-BSP|PHBSP"	"OC[C@@H](C(=O)N[C@H](C(=O)O)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)O)CCC(=O)N)CC(C)C)CCC(=O)O)CCCN=C(N)N)C)CC(C)C)CC(=O)N"	"WZTIQQBMSJTRBR-WYKNNRPVSA-N"	"InChI=1S/C51H84N16O21/c1-22(2)17-30(47(84)65-32(19-36(53)71)48(85)66-33(20-68)49(86)67-34(21-69)50(87)88)63-40(77)24(5)57-41(78)25(7-6-16-56-51(54)55)59-43(80)29(11-15-39(75)76)62-46(83)31(18-23(3)4)64-45(82)27(8-12-35(52)70)60-44(81)28(10-14-38(73)74)61-42(79)26-9-13-37(72)58-26/h22-34,68-69H,6-21H2,1-5H3,(H2,52,70)(H2,53,71)(H,57,78)(H,58,72)(H,59,80)(H,60,81)(H,61,79)(H,62,83)(H,63,77)(H,64,82)(H,65,84)(H,66,85)(H,67,86)(H,73,74)(H,75,76)(H,87,88)(H4,54,55,56)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1"	"yes"	""	""
"1917"	"cicaprost"	""	"Synthetic organic"	""	""	""	""	"135650094"	"5311044"	""	""	"CHEMBL160629"	""	""	""	""	"2-{2-[(2E,3aS,4S,5R,6aS)-5-hydroxy-4-[(3S,4S)-3-hydroxy-4-methylnona-1,6-diyn-1-yl]-octahydropentalen-2-ylidene]ethoxy}acetic acid"	"cicaprost"	"ZK 96480|ZK-96480"	"CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C"	"ARUGKOZUKWAXDS-SEWALLKFSA-N"	"InChI=1S/C22H30O5/c1-3-4-5-6-15(2)20(23)8-7-18-19-12-16(9-10-27-14-22(25)26)11-17(19)13-21(18)24/h9,15,17-21,23-24H,3,6,10-14H2,1-2H3,(H,25,26)/b16-9+/t15-,17-,18+,19-,20+,21+/m0/s1"	"yes"	""	""
"7469"	"ciclesonide"	""	"Synthetic organic"	"yes"	""	""	""	"187051772"	"6918155"	""	""	"CHEMBL2040682"	""	""	""	""	""	"ciclesonide"	"Alvesco&reg;|Omnaris&reg;|RPR-251526"	"O=C(C(C)C)OCC(=O)[C@@]12O[C@@H](O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)C1CCCCC1"	"LUKZNWIVRBCLON-GXOBDPJESA-N"	"InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29+,30-,31-,32+/m0/s1"	"yes"	""	""
"11349"	"ciclopirox"	""	"Synthetic organic"	"yes"	""	""	""	"440816718"	"2749"	""	""	"CHEMBL1413"	""	""	""	""	"6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one"	"ciclopirox"	"Ciclodan&reg;|HOE-296|HOE-296b|Loprox&reg;"	"Cc1cc(C2CCCCC2)n(c(=O)c1)O"	"SCKYRAXSEDYPSA-UHFFFAOYSA-N"	"InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3"	""	""	""
"552"	"cicloprolol"	""	"Synthetic organic"	""	""	""	""	"135650095"	"146294"	""	""	"CHEMBL2110772"	""	""	""	""	"1-[4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol"	"cicloprolol"	"SL 75-177-10"	"OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C"	"JNDJPKHYZWRRIS-UHFFFAOYSA-N"	"InChI=1S/C18H29NO4/c1-14(2)19-11-16(20)13-23-18-7-5-17(6-8-18)22-10-9-21-12-15-3-4-15/h5-8,14-16,19-20H,3-4,9-13H2,1-2H3"	""	""	""
"14495"	"CID-078"	""	"Peptide"	""	""	""	""	"528429816"	"178342674"	""	""	""	""	""	""	""	"(2R)-N-[(3R,6S,9S)-3-{[5-chloro-2-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}-1,4-dimethyl-6-(2-methylpropyl)-2,5,8-trioxo-1,4,7-triazacyclohexadecan-9-yl]-2-cyclopropyl-2-{[(2R,4S)-1-[3,3-difluoro-1-(trifluoromethyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]formamido}-N-methylacetamide"	""	""	"CC(C)C[C@@H]1NC(=O)[C@H](CCCCCCCN(C)C(=O)[C@@H](CC2=C(C=CC(Cl)=C2)C3=CN(C)N=C3)N(C)C1=O)N(C)C(=O)[C@H](NC(=O)[C@H]4C[C@H](F)CN4C(=O)C5(CC(F)(F)C5)C(F)(F)F)C6CC6"	"LSUMJDILBCWSIG-UQJCHVLTSA-N"	"InChI=1S/C47H63ClF6N8O6/c1-27(2)18-34-41(65)61(6)37(20-29-19-31(48)15-16-33(29)30-22-55-59(4)23-30)42(66)58(3)17-11-9-7-8-10-12-35(39(63)56-34)60(5)43(67)38(28-13-14-28)57-40(64)36-21-32(49)24-62(36)44(68)45(47(52,53)54)25-46(50,51)26-45/h15-16,19,22-23,27-28,32,34-38H,7-14,17-18,20-21,24-26H2,1-6H3,(H,56,63)(H,57,64)/t32-,34-,35-,36+,37+,38+/m0/s1"	""	""	""
"5564"	"CID1172084"	""	"Synthetic organic"	""	""	""	""	"178102202"	"1172084"	""	""	"CHEMBL1718432"	""	""	""	""	"N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(8-methoxy-4-methyl-[1,2,4]triazolo[4,5-a]quinolin-1-yl)sulfanyl]acetamide"	""	"CID 1172084"	"COc1ccc2c(c1)n1c(SCC(=O)Nc3scc(n3)c3ccc(cc3)F)nnc1c(c2)C"	"NQAXYXKWUOWLNN-UHFFFAOYSA-N"	"InChI=1S/C23H18FN5O2S2/c1-13-9-15-5-8-17(31-2)10-19(15)29-21(13)27-28-23(29)33-12-20(30)26-22-25-18(11-32-22)14-3-6-16(24)7-4-14/h3-11H,12H2,1-2H3,(H,25,26,30)"	""	""	""
"6577"	"CID16020046"	""	"Synthetic organic"	""	""	""	""	"178103191"	"16020046"	""	""	"CHEMBL1341792"	""	""	""	""	"4-[4-(3-hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]benzoic acid"	""	"CID 16020046"	"Oc1cccc(c1)C1N(c2ccc(cc2)C(=O)O)C(=O)c2c1c(n[nH]2)c1ccc(cc1)C"	"VGUQVYZXABOXCX-UHFFFAOYSA-N"	"InChI=1S/C25H19N3O4/c1-14-5-7-15(8-6-14)21-20-22(27-26-21)24(30)28(18-11-9-16(10-12-18)25(31)32)23(20)17-3-2-4-19(29)13-17/h2-13,23,29H,1H3,(H,26,27)(H,31,32)"	""	""	""
"8579"	"CID16197121"	""	"Synthetic organic"	""	""	""	""	"252166780"	"16197121"	""	""	"CHEMBL1302410"	""	""	""	""	"(4R,5S,6S)-4-(1-benzothiophen-3-yl)-6-ethoxy-5-(3-hydroxypropyl)-N-phenyl-5,6-dihydro-4H-pyran-2-carboxamide"	""	""	"OCCC[C@@H]1[C@@H](OCC)OC(=C[C@H]1c1csc2c1cccc2)C(=O)Nc1ccccc1"	"DPIFUIZFNOZKRB-DFIYOIEZSA-N"	"InChI=1S/C25H27NO4S/c1-2-29-25-19(12-8-14-27)20(21-16-31-23-13-7-6-11-18(21)23)15-22(30-25)24(28)26-17-9-4-3-5-10-17/h3-7,9-11,13,15-16,19-20,25,27H,2,8,12,14H2,1H3,(H,26,28)/t19-,20+,25-/m0/s1"	""	""	""
"5563"	"CID1792197"	""	"Synthetic organic"	""	""	""	""	"178102201"	"1792197"	""	""	"CHEMBL1532240"	""	""	""	""	"3-(2-methoxyphenyl)-N-[[4-(methyl-phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide"	""	"CID 1792197"	"COc1ccccc1/C=C/C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(c1ccccc1)C"	"XOMQERYBMDFBAG-SFQUDFHCSA-N"	"InChI=1S/C24H23N3O4S2/c1-27(20-9-4-3-5-10-20)33(29,30)21-15-13-19(14-16-21)25-24(32)26-23(28)17-12-18-8-6-7-11-22(18)31-2/h3-17H,1-2H3,(H2,25,26,28,32)/b17-12+"	""	""	""
"5565"	"CID2440433"	""	"Synthetic organic"	""	""	""	""	"178102203"	"2440433"	""	""	"CHEMBL1385076"	""	""	""	""	"3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide"	""	"CID 2440433"	"O=C(c1cc(ccc1N1CCCC1)S(=O)(=O)N(C)C)N1CCN(CC1)c1cccc(c1C)C"	"VRSJAHQGJHDACS-UHFFFAOYSA-N"	"InChI=1S/C25H34N4O3S/c1-19-8-7-9-23(20(19)2)28-14-16-29(17-15-28)25(30)22-18-21(33(31,32)26(3)4)10-11-24(22)27-12-5-6-13-27/h7-11,18H,5-6,12-17H2,1-4H3"	""	""	""
"9741"	"CID2745687"	""	"Synthetic organic"	""	""	""	""	"354702214"	"2745687"	""	""	"CHEMBL1708510"	""	""	""	""	"methyl 5-[(tert-butylcarbamothioylhydrazinylidene)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate"	""	"AC1MCK4S|compound 13 [PMID: 23888932]"	"COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F"	"CYNLZIBKERMMOA-UHFFFAOYSA-N"	"InChI=1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)"	""	""	""
"7780"	"CIFEA"	""	"Synthetic organic"	""	""	""	""	"223366113"	"53238181"	""	""	"CHEMBL1774519"	""	""	""	""	"N-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide"	""	"cyclohexylmethyl-indenofurane-ethylacetamide"	"CC(=O)NCCC1=C(CC2CCCCC2)Cc2c1c1CCOc1cc2"	"MMMAALHYEKMNHU-UHFFFAOYSA-N"	"InChI=1S/C22H29NO2/c1-15(24)23-11-9-19-18(13-16-5-3-2-4-6-16)14-17-7-8-21-20(22(17)19)10-12-25-21/h7-8,16H,2-6,9-14H2,1H3,(H,23,24)"	""	""	""
"10190"	"ciforadenant"	""	"Synthetic organic"	""	""	""	""	"381118900"	"44537963"	""	""	""	""	""	""	""	"7-(5-methylfuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]pyridin-2-yl]methyl]triazolo[4,5-d]pyrimidin-5-amine"	"ciforadenant"	"CPI-444|CPI444|V-81444|V81444"	"Nc1nc(c2ccc(o2)C)c2c(n1)n(nn2)Cc1cccc(n1)CO[C@@H]1COCC1"	"KURQKNMKCGYWRJ-HNNXBMFYSA-N"	"InChI=1S/C20H21N7O3/c1-12-5-6-16(30-12)17-18-19(24-20(21)23-17)27(26-25-18)9-13-3-2-4-14(22-13)10-29-15-7-8-28-11-15/h2-6,15H,7-11H2,1H3,(H2,21,23,24)/t15-/m0/s1"	"yes"	""	""
"13896"	"CIGB-552"	""	"Peptide"	""	""	""	""	"513757581"	"0"	""	""	""	""	""	""	""	""	""	"CIGB552"	""	""	""	""	""	""
"2711"	"ciglitazone"	""	"Synthetic organic"	""	""	""	""	"135650096"	"2750"	""	""	"CHEMBL7002"	""	""	""	""	"5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione"	"ciglitazone"	""	"O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC1(C)CCCCC1"	"YZFWTZACSRHJQD-UHFFFAOYSA-N"	"InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,20,21)"	""	""	""
"2297"	"cilansetron"	""	"Synthetic organic"	""	""	""	""	"135650097"	"6918107"	""	""	"CHEMBL2103778"	""	""	""	""	""	"cilansetron"	""	"O=C1[C@H](CCc2c1c1cccc3c1n2CCC3)Cn1ccnc1C"	"NCNFDKWULDWJDS-OAHLLOKOSA-N"	"InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1"	""	""	""
"5166"	"cilastatin"	""	"Synthetic organic"	"yes"	""	""	""	"178101856"	"6435415"	""	""	"CHEMBL766"	""	""	""	""	"(2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-{[(1S)-2,2-dimethylcyclopropyl]formamido}hept-2-enoic acid"	"cilastatin"	"MK 0791|MK-791|MK791|Primaxin&reg;"	"OC(=O)[C@H](CSCCCC/C=C(/C(=O)O)\NC(=O)[C@H]1CC1(C)C)N"	"DHSUYTOATWAVLW-WFVMDLQDSA-N"	"InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1"	""	""	"yes"
"6459"	"cilazapril"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103074"	"56330"	""	""	"CHEMBL515606"	""	""	""	""	"(1S,9S)-9-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-10-oxo-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]diazepine-1-carboxylic acid"	"cilazapril"	"Inhibace&reg;|Ro 31-2848006|Vascace&reg;"	"CCOC(=O)[C@@H](N[C@H]1CCCN2N(C1=O)[C@@H](CCC2)C(=O)O)CCc1ccccc1"	"HHHKFGXWKKUNCY-FHWLQOOXSA-N"	"InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1"	""	""	""
"6461"	"cilazaprilat"	""	"Synthetic organic"	"yes"	""	""	""	"178103075"	"64766"	""	""	"CHEMBL2104578"	""	""	""	""	"(1S,9S)-9-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]-10-oxo-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]diazepine-1-carboxylic acid"	"cilazaprilat"	"Ro 31-3113"	"OC(=O)[C@@H](N[C@H]1CCCN2N(C1=O)[C@@H](CCC2)C(=O)O)CCc1ccccc1"	"UVAUYSRYXACKSC-ULQDDVLXSA-N"	"InChI=1S/C20H27N3O5/c24-18-15(8-4-12-22-13-5-9-17(20(27)28)23(18)22)21-16(19(25)26)11-10-14-6-2-1-3-7-14/h1-3,6-7,15-17,21H,4-5,8-13H2,(H,25,26)(H,27,28)/t15-,16-,17-/m0/s1"	""	""	""
"6597"	"cilengitide"	""	"Peptide"	""	""	""	""	"178103210"	"176873"	""	""	"CHEMBL429876"	""	""	""	""	"2-[(2S,5R,8S,11S)-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-5-(phenylmethyl)-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid"	"cilengitide"	"EMD-12192|EMD-121974"	"OC(=O)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N(C(=O)[C@H](NC1=O)Cc1ccccc1)C)C(C)C"	"AMLYAMJWYAIXIA-VWNVYAMZSA-N"	"InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1"	""	""	""
"11329"	"cilgavimab"	""	"Antibody"	"yes"	""	""	""	"434321764"	"0"	""	""	""	""	""	""	""	""	"cilgavimab"	"AZD1061|COV2-2130|Evusheld&reg; (tixagevimab + cilgavimab)"	""	""	""	""	""	""
"4897"	"ciliary neurotrophic factor"	"Human"	"Peptide"	""	""	""	""	"178101597"	"0"	"P26441"	"ENSG00000242689"	""	""	""	""	""	""	""	"CNTF"	""	""	""	""	""	""
"7767"	"cilnidipine"	""	"Synthetic organic"	"yes"	""	""	""	"223366100"	"5282138"	""	""	"CHEMBL452076"	""	""	""	""	"O3-(2-methoxyethyl) O5-(3-phenylprop-2-enyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"cilnidipine"	"FRC-8653"	"COCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C"	"KJEBULYHNRNJTE-DHZHZOJOSA-N"	"InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+"	""	""	""
"2355"	"cilobradine"	""	"Synthetic organic"	""	""	""	""	"135650098"	"9869877"	""	""	"CHEMBL1436376"	""	""	""	""	"3-[[(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one"	"cilobradine"	"DK-AH269"	"COc1ccc(cc1OC)CCN1CCC[C@@H](C1)CN1CCc2c(CC1=O)cc(c(c2)OC)OC"	"OBUFMJDDZTXJPY-NRFANRHFSA-N"	"InChI=1S/C28H38N2O5/c1-32-24-8-7-20(14-25(24)33-2)9-12-29-11-5-6-21(18-29)19-30-13-10-22-15-26(34-3)27(35-4)16-23(22)17-28(30)31/h7-8,14-16,21H,5-6,9-13,17-19H2,1-4H3/t21-/m0/s1"	""	""	""
"10644"	"cilofexor"	""	"Synthetic organic"	""	""	""	""	"404859091"	"71228883"	""	""	"CHEMBL4297613"	""	""	""	""	"2-[3-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxyazetidin-1-yl]pyridine-4-carboxylic acid"	"cilofexor"	"example 13/9 [US10485795B2]|GS-9674|GS9674"	"OC(=O)c1ccnc(c1)N1CC(C1)(O)c1ccc(cc1Cl)OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1"	"KZSKGLFYQAYZCO-UHFFFAOYSA-N"	"InChI=1S/C28H22Cl3N3O5/c29-20-2-1-3-21(30)24(20)25-18(26(39-33-25)15-4-5-15)12-38-17-6-7-19(22(31)11-17)28(37)13-34(14-28)23-10-16(27(35)36)8-9-32-23/h1-3,6-11,15,37H,4-5,12-14H2,(H,35,36)"	""	""	""
"7407"	"cilomilast"	""	"Synthetic organic"	""	""	""	""	"178103979"	"151170"	""	""	"CHEMBL511115"	""	""	""	""	"(1s,4s)-4-cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexane-1-carboxylic acid"	"cilomilast"	"SB-207499"	"N#C[C@@]1(CC[C@@H](CC1)C(=O)O)c1ccc(c(c1)OC1CCCC1)OC"	"CFBUZOUXXHZCFB-OYOVHJISSA-N"	"InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-"	"yes"	""	""
"5167"	"cilostamide"	""	"Synthetic organic"	""	""	""	""	"178101857"	"2753"	""	""	"CHEMBL34431"	""	""	""	""	"N-cyclohexyl-N-methyl-4-[(2-oxo-1,2-dihydroquinolin-6-yl)oxy]butanamide"	"cilostamide"	"OPC 3689"	"O=C(N(C1CCCCC1)C)CCCOc1ccc2c(c1)ccc(=O)[nH]2"	"UIAYVIIHMORPSJ-UHFFFAOYSA-N"	"InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)"	""	""	""
"7148"	"cilostazol"	""	"Synthetic organic"	"yes"	""	""	""	"178103723"	"2754"	""	""	"CHEMBL799"	""	""	""	""	"6-[4-(1-cyclohexyl-1H-1,2,3,4-tetrazol-5-yl)butoxy]-1,2,3,4-tetrahydroquinolin-2-one"	"cilostazol"	"OPC-13013|OPC-21|Pletal&reg;"	"O=C1CCc2c(N1)ccc(c2)OCCCCc1nnnn1C1CCCCC1"	"RRGUKTPIGVIEKM-UHFFFAOYSA-N"	"InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)"	""	""	""
"10297"	"CIM0216"	""	"Synthetic organic"	""	""	""	""	"381744978"	"137553169"	""	""	""	""	""	""	""	"N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-2-phenyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)acetamide"	""	"CIM-0216"	"CC1ON=C(C1)NC(=O)C(N1CCCc2c1cccc2)c1ccccc1"	"DBBFLQPLKOEUQN-UHFFFAOYSA-N"	"InChI=1S/C21H23N3O2/c1-15-14-19(23-26-15)22-21(25)20(17-9-3-2-4-10-17)24-13-7-11-16-8-5-6-12-18(16)24/h2-6,8-10,12,15,20H,7,11,13-14H2,1H3,(H,22,23,25)"	""	""	""
"3174"	"cimadronate"	""	"Synthetic organic"	""	""	""	""	"135651341"	"405386"	""	""	"CHEMBL56253"	""	""	""	""	"[(cyclohexylamino)(phosphono)methyl]phosphonic acid"	""	"cimadronic acid|icandronate|incadronic acid|YM-175"	"OP(=O)(C(P(=O)(O)O)NC1CCCCC1)O"	"GBBBPWVJGMFZGX-UHFFFAOYSA-N"	"InChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)8-6-4-2-1-3-5-6/h6-8H,1-5H2,(H2,9,10,11)(H2,12,13,14)"	""	""	""
"12578"	"cimaterol"	""	"Synthetic organic"	""	""	""	""	"479821368"	"2755"	""	""	"CHEMBL1374751"	""	""	""	""	"2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile"	"cimaterol"	"AB-A 663|ABA-663|cimatrol|CL-263,780"	"CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O"	"BUXRLJCGHZZYNE-UHFFFAOYSA-N"	"InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3"	""	""	""
"1231"	"cimetidine"	""	"Synthetic organic"	"yes"	""	""	""	"135650099"	"2756"	""	""	"CHEMBL30"	""	""	""	""	"3-cyano-2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine"	"cimetidine"	"cimetidine HCl|Tagamet&reg;"	"N#CNC(=NC)NCCSCc1nc[nH]c1C"	"AQIXAKUUQRKLND-UHFFFAOYSA-N"	"InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)"	""	""	""
"12555"	"cimifugin"	""	"Natural product"	""	""	""	""	"479821345"	"441960"	""	""	""	""	""	""	""	"(2S)-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one"	""	"Cimitin"	"CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)CO)O"	"ATDBDSBKYKMRGZ-ZDUSSCGKSA-N"	"InChI=1S/C16H18O6/c1-16(2,19)13-5-9-11(22-13)6-12-14(15(9)20-3)10(18)4-8(7-17)21-12/h4,6,13,17,19H,5,7H2,1-3H3/t13-/m0/s1"	""	""	""
"11409"	"cimpuciclib"	""	"Synthetic organic"	""	""	""	""	"440816778"	"134343855"	""	""	""	""	""	""	""	""	"cimpuciclib"	"example 63  [WO2018045956A1]"	"O=C(c1ccc(nc1C)Nc1ncc(c(n1)c1ccc2c(c1)n(C(C)C)c(n2)C)F)N1CCC(CC1)NC1CC1"	"FDSYOFCVZBGPOV-UHFFFAOYSA-N"	"InChI=1S/C30H35FN8O/c1-17(2)39-19(4)34-25-9-5-20(15-26(25)39)28-24(31)16-32-30(37-28)36-27-10-8-23(18(3)33-27)29(40)38-13-11-22(12-14-38)35-21-6-7-21/h5,8-10,15-17,21-22,35H,6-7,11-14H2,1-4H3,(H,32,33,36,37)"	""	""	""
"3308"	"cinacalcet"	""	"Synthetic organic"	"yes"	""	""	""	"178100343"	"156419"	""	""	"CHEMBL1201284"	""	""	""	""	"N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine"	"cinacalcet"	"AMG-073|Mimpara&reg;|Sensipar&reg;"	"C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F"	"VDHAWDNDOKGFTD-MRXNPFEDSA-N"	"InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1"	""	""	""
"5168"	"cinaciguat"	""	"Synthetic organic"	""	""	""	""	"178101858"	"9808022"	""	""	"CHEMBL1236936"	""	""	""	""	"4-{[(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)phenyl]methoxy}phenyl)ethyl]amino]methyl}benzoic acid"	"cinaciguat"	"BAY 58-2667"	"OC(=O)CCCCN(Cc1ccc(cc1)C(=O)O)CCc1ccccc1OCc1ccc(cc1)CCc1ccccc1"	"WPYWMXNXEZFMAK-UHFFFAOYSA-N"	"InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41)"	""	""	""
"13363"	"cinchonine"	""	"Natural product"	""	""	""	""	"496703333"	"90454"	""	""	"CHEMBL588619"	""	""	""	""	"(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol"	""	"(+)-Cinchonine|D-Cinchonine"	"C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O"	"KMPWYEUPVWOPIM-QAMTZSDWSA-N"	"InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1"	""	""	""
"2423"	"cinnamaldehyde"	""	"Synthetic organic"	""	""	""	""	"135650100"	"637511"	""	""	"CHEMBL293492"	""	""	""	""	"(E)-3-phenylprop-2-enal"	""	"cinnamic aldehyde"	"O=C/C=C/c1ccccc1"	"KJPRLNWUNMBNBZ-QPJJXVBHSA-N"	"InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+"	""	""	""
"3203"	"cinnamic acid"	""	"Synthetic organic"	""	""	""	""	"135650101"	"444539"	""	""	"CHEMBL27246"	""	""	""	""	"3-phenylprop-2-enoic acid"	""	""	"OC(=O)/C=C/c1ccccc1"	"WBYWAXJHAXSJNI-VOTSOKGWSA-N"	"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+"	""	""	""
"13186"	"cinnamtannin B1"	""	"Natural product"	""	""	""	""	"491299968"	"475277"	""	""	"CHEMBL540956"	""	""	""	""	""	""	"Cinnamtannin B-1|CTB-1"	"C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC5=C4[C@@H]6[C@H]([C@](O5)(OC7=CC(=CC(=C67)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O)O)O)C%10=CC(=C(C=C%10)O)O)O"	"BYSRPHRKESMCPO-LQNPQWRQSA-N"	"InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41-,44-,45+/m1/s1"	""	""	""
"9072"	"cinnarizine"	""	"Synthetic organic"	"yes"	""	""	""	"315661157"	"1547484"	""	""	"CHEMBL43064"	""	""	""	""	"1-[di(phenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine"	"cinnarizine clofibrate"	"R-1575|Stugeron&reg;"	"c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1"	"DERZBLKQOCDDDZ-JLHYYAGUSA-N"	"InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+"	""	""	""
"12401"	"cinoxacin"	""	"Synthetic organic"	"yes"	"yes"	""	""	"479821192"	"2762"	""	""	"CHEMBL1208"	""	""	""	""	"1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid"	"cinoxacin"	"Cinobac&reg;|Lilly 64716"	"CCn1c2cc3c(cc2c(=O)c(n1)C(=O)O)OCO3"	"VDUWPHTZYNWKRN-UHFFFAOYSA-N"	"InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)"	""	""	"yes"
"13331"	"cinpanemab"	""	"Antibody"	""	""	""	""	"496703301"	"0"	""	""	""	""	""	""	""	""	"cinpanemab"	"antibody 12F4|BIIB-054|BIIB054"	""	""	""	""	""	""
"10256"	"cinromide"	""	"Synthetic organic"	""	""	""	""	"381744938"	"688145"	""	""	"CHEMBL93233"	""	""	""	""	"(2E)-3-(3-bromophenyl)-N-ethylprop-2-enamide"	"cinromide"	"3-bromo-N-ethylcinnamamide"	"CCNC(=O)/C=C/c1cccc(c1)Br"	"LDCXGZCEMNMWIL-VOTSOKGWSA-N"	"InChI=1S/C11H12BrNO/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3,(H,13,14)/b7-6+"	""	""	""
"12867"	"cinsebrutinib"	""	"Synthetic organic"	""	""	""	""	"485205988"	"156888508"	""	""	""	""	""	""	""	"2-fluoro-1-[(3S)-1-prop-2-enoylpiperidin-3-yl]-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide"	""	"5-6 enantiomer A [WO2021207549A1]|example 5-6 [WO2021207549A1]"	"FC=1C(=C2C3=C(NC2=C(C1)C(=O)N)CCCCC3)[C@H]4CN(CCC4)C(C=C)=O"	"NEHJPDSXWUIXGI-CYBMUJFWSA-N"	"InChI=1S/C22H26FN3O2/c1-2-18(27)26-10-6-7-13(12-26)19-16(23)11-15(22(24)28)21-20(19)14-8-4-3-5-9-17(14)25-21/h2,11,13,25H,1,3-10,12H2,(H2,24,28)/t13-/m1/s1"	""	""	""
"10045"	"cintirorgon"	""	"Synthetic organic"	""	""	""	""	"375973233"	"124126348"	""	""	""	""	""	""	""	"3-[(2S)-6-[3-(difluoromethoxy)-5-fluorophenyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2,2-dimethylpropanoic acid"	"cintirorgon"	"compound 32J [WO2016201225A1]|LYC-55716|LYC55716"	"FC(Oc1cc(F)cc(c1)c1ccc2c(c1)N(C[C@@H](O2)CC(C(=O)O)(C)C)S(=O)(=O)c1cccc(c1)C(F)(F)F)F"	"GULSIMHVQYBADX-FQEVSTJZSA-N"	"InChI=1S/C27H23F6NO6S/c1-26(2,24(35)36)13-20-14-34(41(37,38)21-5-3-4-17(11-21)27(31,32)33)22-10-15(6-7-23(22)39-20)16-8-18(28)12-19(9-16)40-25(29)30/h3-12,20,25H,13-14H2,1-2H3,(H,35,36)/t20-/m0/s1"	"yes"	""	""
"9721"	"cipargamin"	""	"Synthetic organic"	""	""	""	""	"374883822"	"44469321"	""	""	"CHEMBL1082723"	""	""	""	""	"(3R,3'S)-5,7'-dichloro-6'-fluoro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one"	"cipargamin"	"KAE609|NITD609"	"C[C@H]1Cc2c3cc(F)c(cc3[nH]c2[C@@]2(N1)C(=O)Nc1c2cc(Cl)cc1)Cl"	"CKLPLPZSUQEDRT-WPCRTTGESA-N"	"InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1"	""	"yes"	""
"6466"	"cipemastat"	""	"Synthetic organic"	""	""	""	""	"178103080"	"9824350"	""	""	"CHEMBL115653"	""	""	""	""	"(2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide"	"cipemastat"	"Ro 28-2653"	"ONC(=O)[C@H]([C@H](C(=O)N1CCCCC1)CC1CCCC1)CN1C(=O)N(C(C1=O)(C)C)C"	"GFUITADOEPNRML-SJORKVTESA-N"	"InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1"	"yes"	""	""
"10812"	"cipepofol"	""	"Synthetic organic"	"yes"	""	""	""	"405560253"	"86301664"	""	""	"CHEMBL4094894"	""	""	""	""	"2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol"	"cipepofol"	"ciprofol|compound 6 [PMID: 28430430]|HSK 3486|HSK-3486|HSK3486"	"C[C@@H](c1cccc(c1O)C(C)C)C1CC1"	"BMEARIQHWSVDBS-SNVBAGLBSA-N"	"InChI=1S/C14H20O/c1-9(2)12-5-4-6-13(14(12)15)10(3)11-7-8-11/h4-6,9-11,15H,7-8H2,1-3H3/t10-/m1/s1"	""	""	""
"1244"	"cipralisant"	""	"Synthetic organic"	""	""	""	""	"135650808"	"6450823"	""	""	"CHEMBL278462"	""	""	""	""	"4-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-3H-imidazole"	"cipralisant"	"GT-2331"	"CC(CCC#C[C@@H]1C[C@H]1c1[nH]cnc1)(C)C"	"CVKJAXCQPFOAIN-VXGBXAGGSA-N"	"InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1"	""	""	""
"14472"	"ciprocopan"	""	"Synthetic organic"	""	""	""	""	"528429793"	"176080762"	""	""	""	""	""	""	""	"4-[(2S,4R)-4-cyclopropyl-1-[[7-methyl-5-(trideuteriomethoxy)-1H-indol-4-yl]methyl]piperidin-2-yl]benzoic acid"	"ciprocopan"	"Compound A [WO2025119266]|HSK-39297|HSK39297"	"[2H]C([2H])([2H])OC1=C(C2=C(C(=C1)C)NC=C2)CN3CC[C@H](C[C@H]3C4=CC=C(C=C4)C(=O)O)C5CC5"	"VHBASIXWLLDPFC-HRFXIYCZSA-N"	"InChI=1S/C26H30N2O3/c1-16-13-24(31-2)22(21-9-11-27-25(16)21)15-28-12-10-20(17-3-4-17)14-23(28)18-5-7-19(8-6-18)26(29)30/h5-9,11,13,17,20,23,27H,3-4,10,12,14-15H2,1-2H3,(H,29,30)/t20-,23+/m1/s1/i2D3"	"yes"	""	""
"3438"	"ciprofibrate"	""	"Synthetic organic"	"yes"	""	""	""	"178100438"	"2763"	""	""	"CHEMBL557555"	""	""	""	""	"2-[4-(2,2-Dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid"	"ciprofibrate"	"Lipanor&reg;|Modalim&reg;|WIN-35833"	"OC(=O)C(Oc1ccc(cc1)C1CC1(Cl)Cl)(C)C"	"KPSRODZRAIWAKH-UHFFFAOYSA-N"	"InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)"	""	""	""
"10902"	"ciprofloxacin"	""	"Synthetic organic"	"yes"	""	""	""	"405560343"	"2764"	""	""	"CHEMBL8"	""	""	""	""	"1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid"	"ciprofloxacin"	"BAY-O-9867|BAY-O9867|Cetraxal&reg;|Ciloxan&reg;|Cipro&reg;|CPFX|Proquin XR"	"Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1"	"MYSWGUAQZAJSOK-UHFFFAOYSA-N"	"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)"	""	""	"yes"
"1265"	"ciproxifan"	""	"Synthetic organic"	""	""	""	""	"135650102"	"6422124"	""	""	"CHEMBL14638"	""	""	""	""	"cyclopropyl-[4-[3-(3H-imidazol-4-yl)propoxy]phenyl]methanone"	""	"FUB-359|FUB359"	"O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1"	"ACQBHJXEAYTHCY-UHFFFAOYSA-N"	"InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)"	""	""	""
"515"	"cirazoline"	""	"Synthetic organic"	""	""	""	""	"135650103"	"2765"	""	""	"CHEMBL13852"	""	""	""	""	"2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole"	"cirazoline"	""	"C1CN=C(N1)COc1ccccc1C1CC1"	"YAORIDZYZDUZCM-UHFFFAOYSA-N"	"InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)"	""	""	""
"14493"	"CIRc-014"	""	"Synthetic organic"	""	""	""	""	"528429814"	"178342673"	""	""	""	""	""	""	""	""	""	"compound 33 [PMID: 41721763]"	"CC(C)C[C@@H]1NC(=O)[C@H](CCCCCCCN(C)C(=O)[C@H](CC2=C(OC3CC3)N=CC(Cl)=C2)N(C)C1=O)N(C)C(=O)[C@@H](NC(=O)[C@@H]4C[C@@H](F)CN4C(=O)C5(CC(F)(F)C5)C(F)(F)F)C6CC6"	"PTZDPNNZZODMBT-FIIVPKDJSA-N"	"InChI=1S/C45H62ClF6N7O7/c1-25(2)17-31-39(62)58(5)34(19-27-18-28(46)21-53-38(27)66-30-14-15-30)40(63)56(3)16-10-8-6-7-9-11-32(36(60)54-31)57(4)41(64)35(26-12-13-26)55-37(61)33-20-29(47)22-59(33)42(65)43(45(50,51)52)23-44(48,49)24-43/h18,21,25-26,29-35H,6-17,19-20,22-24H2,1-5H3,(H,54,60)(H,55,61)/t29-,31+,32+,33+,34+,35+/m1/s1"	""	""	""
"13297"	"cirtociclib"	""	"Synthetic organic"	""	""	""	""	"496703267"	"168752082"	""	""	""	""	""	""	""	"N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine"	"cirtociclib"	"BLU-222|BLU222"	"C1COCCC1CN2C3=NC(=CN=C3C=N2)NC4=CC(=NN4)OC(F)F"	"IFJSYTKOMJJYNP-UHFFFAOYSA-N"	"InChI=1S/C15H17F2N7O2/c16-15(17)26-13-5-11(22-23-13)20-12-7-18-10-6-19-24(14(10)21-12)8-9-1-3-25-4-2-9/h5-7,9,15H,1-4,8H2,(H2,20,21,22,23)"	""	""	""
"12620"	"cirtuvivint"	""	"Synthetic organic"	""	""	""	""	"479821410"	"132056570"	""	""	"CHEMBL4784318"	""	""	""	""	"2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide"	"cirtuvivint"	"example 545 [WO2020150552]|SM-08502|SM08502"	"CN1CCN(CC1)C2=NC=CC(=C2)C(=O)NC3=NC=C4C=CC(=CC4=C3)C5=CN(N=C5)C"	"BQWWOBKMDWACGC-UHFFFAOYSA-N"	"InChI=1S/C24H25N7O/c1-29-7-9-31(10-8-29)23-13-18(5-6-25-23)24(32)28-22-12-20-11-17(3-4-19(20)14-26-22)21-15-27-30(2)16-21/h3-6,11-16H,7-10H2,1-2H3,(H,26,28,32)"	""	""	""
"11254"	"CIS43"	""	"Antibody"	""	""	""	""	"434122314"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""
"240"	"cisapride"	""	"Synthetic organic"	"yes"	"yes"	""	""	"135650104"	"2769"	""	""	"CHEMBL1729"	""	""	""	""	"4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide"	"cisapride"	"Prepulsid&reg;|Propulsid&reg;"	"COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N"	"DCSUBABJRXZOMT-UHFFFAOYSA-N"	"InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)"	""	""	""
"7787"	"cis-JB253"	""	"Synthetic organic"	""	""	""	""	"223366119"	"78060683"	""	""	""	""	""	""	""	"1-cyclohexyl-3-{4-[(Z)-2-[4-(diethylamino)phenyl]diazen-1-yl]benzenesulfonyl}urea"	""	""	"CCN(c1ccc(cc1)/N=N\c1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)CC"	"FCHDFDWESRUUDK-QPLCGJKRSA-N"	"InChI=1S/C23H31N5O3S/c1-3-28(4-2)21-14-10-19(11-15-21)25-26-20-12-16-22(17-13-20)32(30,31)27-23(29)24-18-8-6-5-7-9-18/h10-18H,3-9H2,1-2H3,(H2,24,27,29)/b26-25-"	""	""	""
"5343"	"cisplatin"	""	"Inorganic"	"yes"	""	""	""	"178102005"	"441203"	""	""	"CHEMBL11359"	""	""	""	""	""	"cisplatin"	"Platinol&reg;"	""	""	""	""	""	""
"7547"	"citalopram"	""	"Synthetic organic"	"yes"	""	""	""	"223365883"	"2771"	""	""	"CHEMBL549"	""	""	""	""	"1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile"	"citalopram"	"Celexa&reg;|Cipramil&reg;|LU-10171B"	"N#Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(cc1)F"	"WSEQXVZVJXJVFP-UHFFFAOYSA-N"	"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3"	""	""	""
"9426"	"citarinostat"	""	"Synthetic organic"	""	""	""	""	"328083526"	"53340426"	""	""	"CHEMBL3693786"	""	""	""	""	"2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide"	"citarinostat"	"ACY-241|Compound (I) [WO2016200919]|HDAC-IN-2"	"ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1Cl)c1ccccc1"	"VLIUIBXPEDFJRF-UHFFFAOYSA-N"	"InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)"	""	""	""
"2758"	"CITCO"	""	"Synthetic organic"	""	""	""	""	"135650106"	"9600409"	""	""	"CHEMBL458603"	""	""	""	""	"1-[6-(4-chlorophenyl)imidazo[2,3-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine"	""	""	"Clc1ccc(cc1)c1nc2n(c1/C=N/OCc1ccc(c(c1)Cl)Cl)ccs2"	"ZQWBOKJVVYNKTL-AUEPDCJTSA-N"	"InChI=1S/C19H12Cl3N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+"	""	""	""
"8561"	"citibrasine"	""	"Natural product"	""	""	""	""	"252166762"	"19093029"	""	""	"CHEMBL1668599"	""	""	""	""	"1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one"	""	"compound 7 [PMID: 21277783]"	"COc1c(OC)c(OC)c2c(c1O)c(=O)c1c(n2C)c(O)ccc1"	"QYPQTPVQPNLXHV-UHFFFAOYSA-N"	"InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3"	""	""	""
"6327"	"citral"	""	"Natural product"	""	""	""	""	"178102945"	"638011"	""	""	"CHEMBL1080997"	""	""	""	""	"(2E)-3,7-dimethylocta-2,6-dienal"	""	"citral a|geranial|geranialdehyde|trans-citral"	"O=C/C=C(/CCC=C(C)C)\C"	"WTEVQBCEXWBHNA-JXMROGBWSA-N"	"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+"	""	""	""
"2478"	"citric acid"	""	"Metabolite"	""	""	""	""	"135651460"	"311"	""	""	"CHEMBL1261"	""	""	""	""	"2-hydroxypropane-1,2,3-tricarboxylic acid"	""	"citrate"	"OC(=O)C(CC(=O)O)(CC(=O)O)O"	"KRKNYBCHXYNGOX-UHFFFAOYSA-N"	"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)"	""	""	""
"14236"	"citrocin"	""	"Peptide"	""	""	""	""	"521588876"	"169492567"	""	""	""	""	""	""	""	""	""	""	"CC[C@@H](C)C1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NC(C(=O)N1)CCCCCN)C(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]([C@H](C)CC)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)NCC(=O)O)C(C)CC"	"CNUGGUJSKKNENX-NCROSIFOSA-N"	"InChI=1S/C88H133N23O23/c1-11-49(8)74(85(132)97-41-66(117)94-40-65(116)96-43-70(121)108-73(48(6)7)84(131)99-45-68(119)102-59(33-35-92-88(90)91)79(126)104-60(77(124)100-46-71(122)123)37-53-23-27-55(112)28-24-53)109-82(129)62(36-52-20-16-14-17-21-52)106-81(128)61(38-54-25-29-56(113)30-26-54)105-78(125)58-31-32-63(114)93-39-64(115)95-42-69(120)107-72(47(4)5)83(130)98-44-67(118)101-57(22-18-15-19-34-89)80(127)110-76(51(10)13-3)87(134)111-75(50(9)12-2)86(133)103-58/h14,16-17,20-21,23-30,47-51,57-62,72-76,112-113H,11-13,15,18-19,22,31-46,89H2,1-10H3,(H,93,114)(H,94,117)(H,95,115)(H,96,116)(H,97,132)(H,98,130)(H,99,131)(H,100,124)(H,101,118)(H,102,119)(H,103,133)(H,104,126)(H,105,125)(H,106,128)(H,107,120)(H,108,121)(H,109,129)(H,110,127)(H,111,134)(H,122,123)(H4,90,91,92)/t49-,50?,51-,57?,58+,59+,60+,61+,62+,72+,73+,74+,75+,76?/m1/s1"	""	""	"yes"
"6300"	"citronellal"	""	"Synthetic organic"	""	""	""	""	"178102920"	"7794"	""	""	""	""	""	""	""	"3,7-dimethyloct-6-enal"	""	"3,7-dimethyl-6-octenal|rhodinal"	"O=CCC(CCC=C(C)C)C"	"NEHNMFOYXAPHSD-UHFFFAOYSA-N"	"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3"	""	""	""
"11377"	"Citrusinine II"	""	"Natural product"	""	""	""	""	"440816746"	"10016895"	""	""	"CHEMBL465847"	""	""	""	""	"1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one"	""	"Citrusinine-II|compound 5 [PMID: 21277783]"	"COc1c(O)cc(c2c1n(C)c1c(c2=O)cccc1O)O"	"QEGXAAUCDUFHPJ-UHFFFAOYSA-N"	"InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3"	""	""	""
"12868"	"civorebrutinib"	""	"Synthetic organic"	""	""	""	""	"485205989"	"132162130"	""	""	""	""	""	""	""	"5-amino-3-[4-(5-chloropyridin-2-yl)oxyphenyl]-1-[(6R)-4-cyano-4-azaspiro[2.5]octan-6-yl]pyrazole-4-carboxamide"	""	""	"NC1=C(C(=NN1[C@H]2CN(C3(CC3)CC2)C#N)C4=CC=C(C=C4)OC5=NC=C(C=C5)Cl)C(=O)N"	"OSEITUBGGJDFBK-MRXNPFEDSA-N"	"InChI=1S/C23H22ClN7O2/c24-15-3-6-18(28-11-15)33-17-4-1-14(2-5-17)20-19(22(27)32)21(26)31(29-20)16-7-8-23(9-10-23)30(12-16)13-25/h1-6,11,16H,7-10,12,26H2,(H2,27,32)/t16-/m1/s1"	"yes"	""	""
"14514"	"cizutamig"	""	"Antibody"	""	""	""	""	"528429835"	"0"	""	""	""	""	""	""	""	""	"cizutamig"	"CD3med FIT-Ig|EMB-06|EMB06"	""	""	""	"yes"	""	""
"5857"	"CJ-042794"	""	"Synthetic organic"	""	""	""	""	"178102481"	"11524454"	""	""	"CHEMBL591666"	""	""	""	""	"4-[(1S)-1-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]ethyl]benzoic acid"	""	"ANW-61958|CJ 42794|CJ- 42794|RQ-00015986|RQ-15986"	"Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F"	"MWBNCZHVEXULBD-ZDUSSCGKSA-N"	"InChI=1S/C22H17ClFNO4/c1-13(14-2-4-15(5-3-14)22(27)28)25-21(26)19-12-16(23)6-11-20(19)29-18-9-7-17(24)8-10-18/h2-13H,1H3,(H,25,26)(H,27,28)/t13-/m0/s1"	""	""	""
"5169"	"CJ13610"	""	"Synthetic organic"	""	""	""	""	"178101859"	"9821945"	""	""	"CHEMBL195309"	""	""	""	""	"4-(3-{[4-(2-methyl-1H-imidazol-1-yl)phenyl]sulfanyl}phenyl)oxane-4-carboxamide"	""	"CJ-13,610|CJ-13610"	"Cc1nccn1c1ccc(cc1)Sc1cccc(c1)C1(CCOCC1)C(=O)N"	"VPTONMHDLLMOOV-UHFFFAOYSA-N"	"InChI=1S/C22H23N3O2S/c1-16-24-11-12-25(16)18-5-7-19(8-6-18)28-20-4-2-3-17(15-20)22(21(23)26)9-13-27-14-10-22/h2-8,11-12,15H,9-10,13-14H2,1H3,(H2,23,26)"	""	""	""
"10610"	"CJ-15,801"	""	"Natural product"	""	""	""	""	"404859057"	"6917384"	""	""	"CHEMBL4164243"	""	""	""	""	"(E)-3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]prop-2-enoic acid"	""	"CJ-15801"	"OCC([C@H](C(=O)N/C=C/C(=O)O)O)(C)C"	"HWKKTJQAKVPKTK-SDLBARTOSA-N"	"InChI=1S/C9H15NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h3-4,7,11,14H,5H2,1-2H3,(H,10,15)(H,12,13)/b4-3+/t7-/m0/s1"	""	"yes"	"yes"
"13526"	"CK-586"	""	"Synthetic organic"	""	""	""	""	"500839936"	"164921580"	""	""	""	""	""	""	""	"5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carbaldehyde"	""	"CK-4021586|CK586|compound 4 [WO2022187501A1]"	"[H]C(=O)N1CC2(C1)N(CC3=CC=C(F)C(F)=C3)C(=O)CN([C@H]4CC[C@H](C)CC4)C2=O"	"HLMGUFOCTBBSLK-KOMQPUFPSA-N"	"InChI=1S/C21H25F2N3O3/c1-14-2-5-16(6-3-14)25-10-19(28)26(9-15-4-7-17(22)18(23)8-15)21(20(25)29)11-24(12-21)13-27/h4,7-8,13-14,16H,2-3,5-6,9-12H2,1H3/t14-,16-"	""	""	""
"3462"	"CL316243"	""	"Synthetic organic"	""	""	""	""	"178100458"	"5486546"	""	""	"CHEMBL1204876"	""	""	""	""	"5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid"	""	"CL-316243|CL316,243"	"C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O"	"JEDJMKTVUPSHFW-ABAIWWIYSA-N"	"InChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/t11-,15+/m1/s1"	""	""	""
"5170"	"CL82198"	""	"Synthetic organic"	""	""	""	""	"178101860"	"2777"	""	""	"CHEMBL116757"	""	""	""	""	"N-[4-(morpholin-4-yl)butyl]-1-benzofuran-2-carboxamide"	""	"CL 82198|CL-82198"	"O=C(c1cc2c(o1)cccc2)NCCCCN1CCOCC1"	"KUJQEQAVMNFFAO-UHFFFAOYSA-N"	"InChI=1S/C17H22N2O3/c20-17(16-13-14-5-1-2-6-15(14)22-16)18-7-3-4-8-19-9-11-21-12-10-19/h1-2,5-6,13H,3-4,7-12H2,(H,18,20)"	""	""	""
"10247"	"cladosporin"	""	"Natural product"	""	""	""	""	"381744929"	"13990016"	""	""	"CHEMBL448685"	""	""	""	""	"(3R)-3-[[(2R,6S)-6-methyloxan-2-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one"	""	"asperentin"	"C[C@H]1CCC[C@@H](O1)C[C@@H]1OC(=O)c2c(C1)cc(cc2O)O"	"WOMKDMUZNBFXKG-ZWKOPEQDSA-N"	"InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1"	""	"yes"	"yes"
"4799"	"cladribine"	""	"Synthetic organic"	"yes"	""	""	""	"178101501"	"20279"	""	""	"CHEMBL1619"	""	""	""	""	"(2R,3S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol"	"cladribine"	"Leustatin&reg;|Litak&reg;|Mavenclad&reg;"	"OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(Cl)nc2N"	"PTOAARAWEBMLNO-KVQBGUIXSA-N"	"InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1"	""	""	""
"8685"	"Cl-amidine"	""	"Synthetic organic"	""	""	""	""	"252166885"	"24970878"	""	""	"CHEMBL1962361"	""	""	""	""	"N-[(2S)-1-amino-5-[(1-amino-2-chloroethylidene)amino]-1-oxopentan-2-yl]benzamide"	""	""	"ClCC(=N)NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1"	"BPWATVWOHQZVRP-NSHDSACASA-N"	"InChI=1S/C14H19ClN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1"	""	""	""
"13270"	"clamikalant"	""	"Synthetic organic"	""	""	""	""	"491300052"	"3037766"	""	""	"CHEMBL12531"	""	""	""	""	"5-chloro-2-methoxy-N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]benzamide"	"clamikalant"	"HMR-1883|HMR1883"	"CNC(=S)[N-]S(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)OC)OC"	"JRZBLRXVQSGTJE-UHFFFAOYSA-M"	"InChI=1S/C19H22ClN3O5S2/c1-21-19(29)23-30(25,26)17-10-12(4-6-16(17)28-3)8-9-22-18(24)14-11-13(20)5-7-15(14)27-2/h4-7,10-11H,8-9H2,1-3H3,(H3,21,22,23,24,29)/p-1"	""	""	""
"10903"	"clarithromycin"	""	"Synthetic organic"	"yes"	""	""	""	"405560344"	"84029"	""	""	"CHEMBL1741"	""	""	""	""	"(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione"	"clarithromycin"	"6-O-methylerythromycin|A-56268|ABBOTT-56268|Biaxin&reg;|Klaricid&reg;|TE-031"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@H]([C@@H](O2)C)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)OC"	"AGOYDEPGAOXOCK-KCBOHYOISA-N"	"InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1"	""	""	"yes"
"11215"	"clascoterone"	""	"Synthetic organic"	"yes"	""	""	""	"434122275"	"11750009"	""	""	"CHEMBL3590187"	""	""	""	""	"[(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate"	"clascoterone"	"CB-03-01|CB-0301|cortexolone 17&alpha;-propionate|Winlevi&reg;"	"CCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C(=O)CO"	"GPNHMOZDMYNCPO-PDUMRIMRSA-N"	"InChI=1S/C24H34O5/c1-4-21(28)29-24(20(27)14-25)12-9-19-17-6-5-15-13-16(26)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,25H,4-12,14H2,1-3H3/t17-,18+,19+,22+,23+,24+/m1/s1"	""	""	""
"14583"	"claseprubart"	""	"Antibody"	""	""	""	""	"530846831"	"0"	""	""	""	""	""	""	""	""	"claseprubart"	"DNTH-103|DNTH103|IgG4-MAB39 [US12110344]|MAB39 [US12110344]"	""	""	""	"yes"	""	""
"13808"	"claturafenib"	""	"Synthetic organic"	""	""	""	""	"507750441"	"165150001"	""	""	""	""	""	""	""	"N-[2-chloro-3-[(5-chloro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-3-fluoroazetidine-1-sulfonamide"	"claturafenib"	"ARRY-440|ARRY440|PF-07799933|PF07799933"	"CN1C=NC2=C(C1=O)C(=C(C=C2)NC3=C(C=CC(=C3Cl)NS(=O)(=O)N4CC(C4)F)F)Cl"	"SHENFUUACGRLOZ-UHFFFAOYSA-N"	"InChI=1S/C18H15Cl2F2N5O3S/c1-26-8-23-11-4-5-12(15(19)14(11)18(26)28)24-17-10(22)2-3-13(16(17)20)25-31(29,30)27-6-9(21)7-27/h2-5,8-9,24-25H,6-7H2,1H3"	""	""	""
"11128"	"clavulanic acid"	""	"Natural product"	"yes"	""	""	""	"434122188"	"5280980"	""	""	"CHEMBL777"	""	""	""	""	"(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"clavulanic acid"	"BRL-14151|BRL-14151K|BRL14151|clavulanate|MM 14151"	"OC(=O)[C@@H]1N2[C@H](O/C/1=C\CO)CC2=O"	"HZZVJAQRINQKSD-PBFISZAISA-N"	"InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1"	""	""	"yes"
"9195"	"clazakizumab"	""	"Antibody"	""	""	""	""	"315661274"	"0"	""	""	""	""	""	""	""	""	"clazakizumab"	"ALD-518|ALD518|BMS-945429"	""	""	""	"yes"	""	""
"12286"	"clazosentan"	""	"Synthetic organic"	"yes"	""	""	""	"473153874"	"6433095"	""	""	"CHEMBL109648"	""	""	""	""	"N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)pyridin-4-yl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide"	"clazosentan"	"AXV-034343|AXV034343|compound 22 [PMID: 9703472]|Pivlaz&reg;"	"Cc1cnc(cc1)S(=O)(=O)Nc1c(c(nc(n1)c1cc(ncc1)c1n[nH]nn1)OCCO)Oc1ccccc1OC"	"LFWCJABOXHSRGC-UHFFFAOYSA-N"	"InChI=1S/C25H23N9O6S/c1-15-7-8-20(27-14-15)41(36,37)32-24-21(40-19-6-4-3-5-18(19)38-2)25(39-12-11-35)29-22(28-24)16-9-10-26-17(13-16)23-30-33-34-31-23/h3-10,13-14,35H,11-12H2,1-2H3,(H,28,29,32)(H,30,31,33,34)"	""	""	""
"13980"	"CLB073"	""	"Synthetic organic"	""	""	""	""	"518520607"	"172053920"	""	""	""	""	""	""	""	"1-[4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanone"	""	"mCLB073|TBD11"	"CN1C(=NC=N1)CC(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC=C(C(=C4)Cl)Cl"	"UKPJLECHPQZQLZ-UHFFFAOYSA-N"	"InChI=1S/C18H18Cl2N6O2/c1-25-15(21-10-22-25)9-16(27)26-6-4-11(5-7-26)18-23-17(24-28-18)12-2-3-13(19)14(20)8-12/h2-3,8,10-11H,4-7,9H2,1H3"	""	""	"yes"
"6063"	"clemastine"	""	"Synthetic organic"	"yes"	""	""	""	"178102684"	"26987"	""	""	"CHEMBL1626"	""	""	""	""	"(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine"	"clemastine"	"HS-592|meclastin|Tavegil&reg;|Tavist&reg;"	"Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C"	"YNNUSGIPVFPVBX-NHCUHLMSSA-N"	"InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1"	"yes"	""	""
"14571"	"cleminorexton"	""	"Synthetic organic"	""	""	""	""	"530846819"	"176507653"	""	""	""	""	""	""	""	""	"cleminorexton"	"ORX-750|ORX750"	"C1C[C@@H]([C@@H]2CC3=C(C(=CC=C3)C4=C(C(=CC(=C4)F)F)OCCC(=O)N2C1)F)NS(=O)(=O)C5(CC5)F"	"XGXKCWFIUAZZRS-PMACEKPBSA-N"	"InChI=1S/C24H24F4N2O4S/c25-15-12-17-16-4-1-3-14(22(16)27)11-20-19(29-35(32,33)24(28)7-8-24)5-2-9-30(20)21(31)6-10-34-23(17)18(26)13-15/h1,3-4,12-13,19-20,29H,2,5-11H2/t19-,20-/m0/s1"	""	""	""
"10285"	"clemizole"	""	"Synthetic organic"	""	""	""	""	"381744966"	"2782"	""	""	"CHEMBL1407943"	""	""	""	""	"1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole"	""	""	"Clc1ccc(cc1)Cn1c(CN2CCCC2)nc2c1cccc2"	"CJXAEXPPLWQRFR-UHFFFAOYSA-N"	"InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2"	"yes"	""	""
"12582"	"clenbuterol"	""	"Synthetic organic"	""	""	""	""	"479821372"	"2783"	""	""	"CHEMBL49080"	""	""	""	""	"1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol"	"clenbuterol"	"NAB 365|NAB-365|Planipart&reg;|Spiropent&reg;"	"CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O"	"STJMRWALKKWQGH-UHFFFAOYSA-N"	"InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3"	""	""	""
"12242"	"clesacostat"	""	"Synthetic organic"	""	""	""	""	"473153830"	"57496611"	""	""	"CHEMBL4567446"	""	""	""	""	""	"clesacostat"	"PF-05221304|PF05221304"	"CC(C)n1c2c(CC3(CCN(CC3)C(=O)c3cc(nc(c3)OC)c3ccc(cc3)C(=O)O)CC2=O)cn1"	"LXZMHBHEXAELHH-UHFFFAOYSA-N"	"InChI=1S/C28H30N4O5/c1-17(2)32-25-21(16-29-32)14-28(15-23(25)33)8-10-31(11-9-28)26(34)20-12-22(30-24(13-20)37-3)18-4-6-19(7-5-18)27(35)36/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3,(H,35,36)"	""	""	""
"7468"	"clevidipine"	""	"Synthetic organic"	"yes"	""	""	""	"187051771"	"153994"	""	""	"CHEMBL1237132"	""	""	""	""	"O3-(butanoyloxymethyl) O5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate"	"clevidipine"	"Cleviprex&reg;"	"CCCC(=O)OCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C"	"KPBZROQVTHLCDU-UHFFFAOYSA-N"	"InChI=1S/C21H23Cl2NO6/c1-5-7-15(25)29-10-30-21(27)17-12(3)24-11(2)16(20(26)28-4)18(17)13-8-6-9-14(22)19(13)23/h6,8-9,18,24H,5,7,10H2,1-4H3"	""	""	""
"457"	"Cl-IB-MECA"	""	"Synthetic organic"	""	""	""	""	"135650107"	"3035850"	""	""	"CHEMBL431733"	""	""	""	""	"(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide"	""	"2Cl-IB-MECA"	"CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I"	"IPSYPUKKXMNCNQ-PFHKOEEOSA-N"	"InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1"	""	""	""
"366"	"clidinium"	""	"Synthetic organic"	"yes"	""	""	""	"135650108"	"2784"	""	""	"CHEMBL620"	""	""	""	""	"(1-methyl-1-azoniabicyclo[2.2.2]octan-8-yl) 2-hydroxy-2,2-di(phenyl)acetate"	"clidinium bromide"	"Quarzan&reg;"	"O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2"	"HOOSGZJRQIVJSZ-UHFFFAOYSA-N"	"InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1"	""	""	""
"13919"	"clifutinib"	""	"Synthetic organic"	""	""	""	""	"513757604"	"118665873"	""	""	""	""	""	""	""	"1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]urea"	"clidinium bromide"	"compound 27 [WO2016008433]|compound 9e [PMID: 40213868]"	"CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C=C2)C#CC3=CC=C(OCCCN4CCOCC4)C=C3)=NO1"	"DWZXYPARIPYQKS-UHFFFAOYSA-N"	"InChI=1S/C29H34N4O4/c1-29(2,3)26-21-27(32-37-26)31-28(34)30-24-11-7-22(8-12-24)5-6-23-9-13-25(14-10-23)36-18-4-15-33-16-19-35-20-17-33/h7-14,21H,4,15-20H2,1-3H3,(H2,30,31,32,34)"	""	""	""
"13229"	"cligosiban"	""	"Synthetic organic"	""	""	""	""	"491300011"	"11683187"	""	""	"CHEMBL594828"	""	""	""	""	"5-[3-[3-(2-chloro-4-fluorophenoxy)azetidin-1-yl]-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine"	"cligosiban"	"PF-3274167|PF3274167"	"COCC1=NN=C(N1C2=CN=C(C=C2)OC)N3CC(C3)OC4=C(C=C(C=C4)F)Cl"	"HNIFCPBQMKPRCX-UHFFFAOYSA-N"	"InChI=1S/C19H19ClFN5O3/c1-27-11-17-23-24-19(26(17)13-4-6-18(28-2)22-8-13)25-9-14(10-25)29-16-5-3-12(21)7-15(16)20/h3-8,14H,9-11H2,1-2H3"	""	""	""
"10793"	"clinafloxacin"	""	"Synthetic organic"	""	""	""	""	"405560234"	"60063"	""	""	"CHEMBL278255"	""	""	""	""	"7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid"	"clinafloxacin"	"AM 1091|CI-960|PD-127321"	"NC1CCN(C1)c1c(F)cc2c(c1Cl)n(cc(c2=O)C(=O)O)C1CC1"	"QGPKADBNRMWEQR-UHFFFAOYSA-N"	"InChI=1S/C17H17ClFN3O3/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9/h5,7-9H,1-4,6,20H2,(H,24,25)"	""	""	"yes"
"10607"	"clindamycin"	""	"Synthetic organic"	"yes"	""	""	""	"404859054"	"446598"	""	""	"CHEMBL1753"	""	""	""	""	"(2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide"	"clindamycin"	""	"CCC[C@H]1CN([C@@H](C1)C(=O)N[C@@H]([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)O)[C@@H](Cl)C)C"	"KDLRVYVGXIQJDK-AWPVFWJPSA-N"	"InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1"	""	"yes"	"yes"
"14251"	"cloacaenodin"	""	"Peptide"	""	""	""	""	"521588891"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"
"7149"	"clobazam"	""	"Synthetic organic"	"yes"	""	""	""	"178103724"	"2789"	""	""	"CHEMBL70418"	""	""	""	""	"7-chloro-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2,4-dione"	"clobazam"	"Frisium&reg;|H-4723|HR-376|LM-2717|Onfi&reg;|Urbanol&reg;"	"Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1"	"CXOXHMZGEKVPMT-UHFFFAOYSA-N"	"InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3"	""	""	""
"1223"	"clobenpropit"	""	"Synthetic organic"	""	""	""	""	"135650109"	"2790"	""	""	"CHEMBL14690"	""	""	""	""	"N'-[(4-chlorophenyl)methyl]-1-[3-(3H-imidazol-4-yl)propylsulfanyl]methanimidamide"	""	"VUF 9153|VUF-9153"	"Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N"	"UCAIEVHKDLMIFL-UHFFFAOYSA-N"	"InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)"	"yes"	""	""
"7062"	"clobetasol propionate"	""	"Synthetic organic"	"yes"	""	""	""	"178103641"	"32798"	""	""	"CHEMBL1159650"	""	""	""	""	"[(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate"	"clobetasol"	"CCI-4725|Clobex&reg;|Dermovate&reg;|GR 2/925|Temovate&reg;"	"CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)C(=O)CCl"	"CBGUOGMQLZIXBE-XGQKBEPLSA-N"	"InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1"	"yes"	""	""
"9088"	"clobetasone"	""	"Synthetic organic"	"yes"	""	""	""	"315661173"	"71387"	""	""	""	""	""	""	""	"(8S,9R,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-17-hydroxy-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,11-dione"	"clobetasone"	"Eumovate&reg;"	"ClCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@]1(C)CC(=O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F"	"XXIFVOHLGBURIG-OZCCCYNHSA-N"	"InChI=1S/C22H26ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-16,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19-,20-,21-,22-/m0/s1"	"yes"	""	""
"9605"	"clodronic acid"	""	"Synthetic organic"	"yes"	""	""	""	"340590235"	"25419"	""	""	"CHEMBL12318"	""	""	""	""	"(dichloro-phosphonomethyl)phosphonic acid"	"clodronic acid"	"Bonefos&reg;|Clasteon &reg;|clodronate|Loron&reg;"	"ClC(P(=O)(O)O)(P(=O)(O)O)Cl"	"ACSIXWWBWUQEHA-UHFFFAOYSA-N"	"InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)"	"yes"	""	""
"6802"	"clofarabine"	""	"Synthetic organic"	"yes"	""	""	""	"178103408"	"119182"	""	""	"CHEMBL1750"	""	""	""	""	"(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol"	"clofarabine"	"CAFdA|Cl-F-araA|Clolar&reg;|Evoltra&reg;"	"OC[C@H]1O[C@H]([C@H]([C@@H]1O)F)n1cnc2c1nc(Cl)nc2N"	"WDDPHFBMKLOVOX-AYQXTPAHSA-N"	"InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1"	""	""	""
"9184"	"clofazimine"	""	"Synthetic organic"	"yes"	""	""	""	"315661264"	"2794"	""	""	"CHEMBL1292"	""	""	""	""	"N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine"	"clofazimine"	"Lamprene&reg;"	"Clc1ccc(cc1)Nc1cc2nc3ccccc3n(c2cc1=NC(C)C)c1ccc(cc1)Cl"	"WDQPAMHFFCXSNU-UHFFFAOYSA-N"	"InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3"	"yes"	""	"yes"
"2667"	"clofibrate"	""	"Synthetic organic"	"yes"	""	""	""	"135650110"	"2796"	""	""	"CHEMBL565"	""	""	""	""	"Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate"	"clofibrate"	"Atromid-S&reg;|AY-61123|ICI-28257"	"CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C"	"KNHUKKLJHYUCFP-UHFFFAOYSA-N"	"InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3"	""	""	""
"2507"	"clofilium"	""	"Synthetic organic"	""	""	""	""	"53801073"	"2798"	""	""	"CHEMBL9484"	""	""	""	""	"4-(4-chlorophenyl)butyl-diethyl-heptylazanium"	"clofilium phosphate"	""	"CCCCCCC[N+](CCCCc1ccc(cc1)Cl)(CC)CC"	"WPSYTTKBGAZSCX-UHFFFAOYSA-N"	"InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1"	""	""	""
"12926"	"clofoctol"	""	"Synthetic organic"	"yes"	""	""	""	"485206047"	"2799"	""	""	"CHEMBL1476605"	""	""	""	""	"2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol"	"clofoctol"	"Gramplus&reg;|Octofene&reg;"	"CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)CC2=C(C=C(C=C2)Cl)Cl"	"HQVZOORKDNCGCK-UHFFFAOYSA-N"	"InChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3"	""	""	"yes"
"12294"	"clometocillin"	""	"Synthetic organic"	""	""	""	""	"479821085"	"71807"	""	""	"CHEMBL2106548"	""	""	""	""	"(2S,5R,6R)-6-[[2-(3,4-dichlorophenyl)-2-methoxyacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"clometocillin"	"clometacillin|clomethacillin"	"CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c1cc(c(cc1)Cl)Cl)OC)C(=O)O)C"	"JKXQBIZCQJLVOS-GSNLGQFWSA-N"	"InChI=1S/C17H18Cl2N2O5S/c1-17(2)12(16(24)25)21-14(23)10(15(21)27-17)20-13(22)11(26-3)7-4-5-8(18)9(19)6-7/h4-6,10-12,15H,1-3H3,(H,20,22)(H,24,25)/t10-,11?,12+,15-/m1/s1"	""	""	"yes"
"4159"	"clomiphene"	""	"Synthetic organic"	"yes"	""	""	""	"178100979"	"2800"	""	""	"CHEMBL2355051"	""	""	""	""	"{2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]ethyl}diethylamine"	"clomifene"	"Androxal&reg;|Clomid&reg;|clomifene|MER-41|MRL-41|Omifin&reg;|RMI-16289"	"CCN(CCOc1ccc(cc1)C(=C(c1ccccc1)Cl)c1ccccc1)CC"	"GKIRPKYJQBWNGO-UHFFFAOYSA-N"	"InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3"	""	""	""
"2398"	"clomipramine"	""	"Synthetic organic"	"yes"	""	""	""	"135650111"	"2801"	""	""	"CHEMBL415"	""	""	""	""	"3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine"	"clomipramine"	"Anafranil&reg;|G-34586"	"CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C"	"GDLIGKIOYRNHDA-UHFFFAOYSA-N"	"InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3"	""	""	""
"13541"	"clomocycline"	""	"Synthetic organic"	"yes"	""	""	""	"500839951"	"54680675"	""	""	"CHEMBL2106071"	""	""	""	""	"(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide"	"clomocycline"	"chlormethylenecycline|Megaclor&reg;"	"O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(NCO)=O)C1=O)(C[C@]3(C(=C2O)C(=O)C=4C([C@@]3(C)O)=C(Cl)C=CC4O)[H])[H]"	"GJGDLRSSCNAKGL-KMVLDZISSA-N"	"InChI=1S/C23H25ClN2O9/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22/h4-5,8-9,16,27-28,30-31,34-35H,6-7H2,1-3H3,(H,25,33)/t8-,9-,16-,22-,23-/m0/s1"	""	""	"yes"
"6963"	"clonazepam"	""	"Synthetic organic"	"yes"	""	""	""	"178103544"	"2802"	""	""	"CHEMBL452"	""	""	""	""	"5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one"	"clonazepam"	"Klonopin&reg;|Ro-5-4023|Ro-54023"	"O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1Cl"	"DGBIGWXXNGSACT-UHFFFAOYSA-N"	"InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)"	""	""	""
"516"	"clonidine"	""	"Synthetic organic"	"yes"	""	""	""	"135650112"	"2803"	""	""	"CHEMBL134"	""	""	""	""	"N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine"	"clonidine"	"Catapres&reg;|Kapvay&reg"	"Clc1cccc(c1NC1=NCCN1)Cl"	"GJSURZIOUXUGAL-UHFFFAOYSA-N"	"InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)"	""	""	""
"7150"	"clopidogrel"	""	"Synthetic organic"	"yes"	""	""	""	"178103725"	"60606"	""	""	"CHEMBL1771"	""	""	""	""	"methyl (2S)-2-(2-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetate"	"clopidogrel"	"Iscover&reg;|Plavix&reg|SR-25990C"	"COC(=O)[C@H](c1ccccc1Cl)N1CCc2c(C1)ccs2"	"GKTWGGQPFAXNFI-HNNXBMFYSA-N"	"InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1"	""	""	""
"1772"	"clopidogrel (active metabolite)"	""	"Synthetic organic"	""	""	""	""	"135649894"	"10066813"	""	""	""	""	""	""	""	"(2Z)-2-[1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetic acid"	""	""	"COC(=O)[C@H](c1ccccc1Cl)N1CCC(/C(=C\C(=O)O)/C1)S"	"CWUDNVCEAAXNQA-AWGNNQSZSA-N"	"InChI=1S/C16H18ClNO4S/c1-22-16(21)15(11-4-2-3-5-12(11)17)18-7-6-13(23)10(9-18)8-14(19)20/h2-5,8,13,15,23H,6-7,9H2,1H3,(H,19,20)/b10-8-/t13?,15-/m0/s1"	"yes"	""	""
"1894"	"cloprostenol"	""	"Synthetic organic"	""	""	""	""	"135650113"	"5311053"	""	""	"CHEMBL37853"	""	""	""	""	"(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid"	"cloprostenol"	"ICI 80996"	"OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)Cl)O)O"	"VJGGHXVGBSZVMZ-QIZQQNKQSA-N"	"InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1"	""	""	""
"7548"	"clorazepate"	""	"Synthetic organic"	"yes"	""	""	""	"223365884"	"2809"	""	""	"CHEMBL1213252"	""	""	""	""	"7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid"	"dipotassium clorazepate"	"4306 CB|Tranxene&reg"	"OC(=O)C1N=C(c2ccccc2)c2c(NC1=O)ccc(c2)Cl"	"XDDJGVMJFWAHJX-UHFFFAOYSA-N"	"InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)"	""	""	""
"6636"	"clorgiline"	""	"Synthetic organic"	""	""	""	""	"178103249"	"4380"	""	""	"CHEMBL8706"	""	""	""	""	"N-[3-(2,4-dichlorophenoxy)propyl]-N-methylprop-2-yn-1-amine"	"clorgiline"	"chlorgyline|clorgyline"	"C#CCN(CCCOc1ccc(cc1Cl)Cl)C"	"BTFHLQRNAMSNLC-UHFFFAOYSA-N"	"InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3"	""	""	""
"12127"	"clorobiocin"	""	"Natural product"	""	""	""	""	"472319249"	"54706138"	""	""	"CHEMBL303984"	""	""	""	""	"[(3R,4S,5R,6S)-6-[8-chloro-4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-2-oxochromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate"	""	"chlorobiocin|RP 18,631"	"Cc1ccc([nH]1)C(=O)O[C@H]1[C@H]([C@@H](OC([C@@H]1OC)(C)C)Oc1c(c2c(cc1)c(c(c(=O)o2)NC(=O)c1cc(c(cc1)O)CC=C(C)C)O)Cl)O"	"FJAQNRBDVKIIKK-LFLQOBSNSA-N"	"InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1"	""	""	"yes"
"4524"	"ClO<sub>4</sub><sup>-</sup>"	""	"Inorganic"	""	""	""	""	"178101248"	"123351"	""	""	""	""	""	""	""	""	""	"perchlorate|perchloric acid"	""	""	""	""	""	""
"2330"	"clotrimazole"	""	"Synthetic organic"	"yes"	""	""	""	"135650114"	"2812"	""	""	"CHEMBL104"	""	""	""	""	"1-[(2-chlorophenyl)-di(phenyl)methyl]imidazole"	"clotrimazole"	"Canesten&reg;|Lotrimin&reg;"	"Clc1ccccc1C(n1cncc1)(c1ccccc1)c1ccccc1"	"VNFPBHJOKIVQEB-UHFFFAOYSA-N"	"InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H"	""	""	""
"13080"	"clovibactin"	""	"Natural product"	""	""	""	""	"491299862"	"146342518"	""	""	""	""	""	""	""	"(3S,6S,9S,12R,13R)-12-[[(2S)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-9-methyl-3,6-bis(2-methylpropyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridecane-13-carboxamide"	""	"Novo29"	"C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@H]([C@H](C(=O)N1)NC(=O)[C@H](CO)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N)C(=O)N)CC(C)C)CC(C)C"	"SMQAHGKBWXPEHB-HHHSQLJLSA-N"	"InChI=1S/C43H70N10O11/c1-22(2)17-29-40(60)51-31(19-24(5)6)43(63)64-34(35(46)55)33(42(62)47-25(7)36(56)49-29)53-41(61)32(21-54)52-38(58)28(15-11-12-16-44)48-39(59)30(18-23(3)4)50-37(57)27(45)20-26-13-9-8-10-14-26/h8-10,13-14,22-25,27-34,54H,11-12,15-21,44-45H2,1-7H3,(H2,46,55)(H,47,62)(H,48,59)(H,49,56)(H,50,57)(H,51,60)(H,52,58)(H,53,61)/t25-,27-,28+,29-,30+,31-,32-,33+,34+/m0/s1"	""	""	"yes"
"11126"	"cloxacillin"	""	"Synthetic organic"	"yes"	""	""	""	"434122186"	"6098"	""	""	"CHEMBL891"	""	""	""	""	"(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"cloxacillin"	"BRL-1621|BRL1621|chloroxacillin|Methocillin S|Syntarpen&reg;|Tegopen&reg;"	"OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1Cl"	"LQOLIRLGBULYKD-JKIFEVAISA-N"	"InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1"	""	""	"yes"
"38"	"clozapine"	""	"Synthetic organic"	"yes"	""	""	""	"135650115"	"135398737"	""	""	"CHEMBL42"	""	""	""	""	"6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0<sup>3,8</sup>]pentadeca-1(11),3,5,7,9,12,14-heptaene"	"clozapine"	"Clorazil&reg;|HF-1854"	"CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2"	"QZUDBNBUXVUHMW-UHFFFAOYSA-N"	"InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3"	""	""	""
"2339"	"Cl<sup>-</sup>"	""	"Inorganic"	""	""	""	""	"135652733"	"312"	""	""	""	""	""	""	""	""	""	"chloride"	""	""	""	""	""	""
"10543"	"CLUL1 (52-77)"	"Human"	"Peptide"	""	""	""	""	"387271635"	"139600927"	"Q15846"	"ENSG00000079101"	""	""	""	""	""	""	""	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](O)C)CO)CCSC)CC(C)C)CC(=O)N)[C@H](O)C)Cc1c[nH]cn1)CCC(=O)O)CCCCN)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(C)C)CCCCN)CCC(=O)N)CCSC)CCCCN)CCSC)CCSC)CCC(=O)O)CCCN=C(N)N"	"RVUJAIDUVQKVDU-OTFOMDLSSA-N"	"InChI=1S/C130H229N37O39S4/c1-19-68(9)100(163-96(174)62-142-124(200)102(71(12)169)165-121(197)89(57-66(5)6)157-105(181)70(11)135)125(201)155-77(32-23-27-49-133)108(184)148-80(35-39-94(136)172)110(186)152-84(43-52-207-15)114(190)146-78(33-24-28-50-134)118(194)164-101(69(10)20-2)126(202)156-87(46-55-210-18)116(192)153-85(44-53-208-16)115(191)151-82(37-41-98(177)178)112(188)147-79(34-29-51-141-130(138)139)109(185)144-75(30-21-25-47-131)106(182)149-81(36-40-97(175)176)111(187)145-76(31-22-26-48-132)107(183)150-83(38-42-99(179)180)113(189)159-90(59-74-61-140-64-143-74)122(198)166-103(72(13)170)127(203)160-91(60-95(137)173)120(196)158-88(56-65(3)4)119(195)154-86(45-54-209-17)117(193)162-93(63-168)123(199)167-104(73(14)171)128(204)161-92(129(205)206)58-67(7)8/h61,64-73,75-93,100-104,168-171H,19-60,62-63,131-135H2,1-18H3,(H2,136,172)(H2,137,173)(H,140,143)(H,142,200)(H,144,185)(H,145,187)(H,146,190)(H,147,188)(H,148,184)(H,149,182)(H,150,183)(H,151,191)(H,152,186)(H,153,192)(H,154,195)(H,155,201)(H,156,202)(H,157,181)(H,158,196)(H,159,189)(H,160,203)(H,161,204)(H,162,193)(H,163,174)(H,164,194)(H,165,197)(H,166,198)(H,167,199)(H,175,176)(H,177,178)(H,179,180)(H,205,206)(H4,138,139,141)/t68-,69-,70-,71+,72+,73+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,100-,101-,102-,103-,104-/m0/s1"	""	""	""
"13289"	"CM-272"	""	"Synthetic organic"	""	""	""	""	"496703259"	"118607432"	""	""	"CHEMBL4170114"	""	""	""	""	""	""	"CM272"	"CC1=CC=C(O1)C2=NC3=CC(=C(C=C3C(=C2)NC4CCN(CC4)C)OC)OCCCN5CCCC5"	"RLQLKZTYUYIWDB-UHFFFAOYSA-N"	"InChI=1S/C28H38N4O3/c1-20-7-8-26(35-20)25-18-23(29-21-9-14-31(2)15-10-21)22-17-27(33-3)28(19-24(22)30-25)34-16-6-13-32-11-4-5-12-32/h7-8,17-19,21H,4-6,9-16H2,1-3H3,(H,29,30)"	""	""	""
"8259"	"CM-352"	""	"Synthetic organic"	""	""	""	""	"249565939"	"91623362"	""	""	""	""	""	""	""	"(2R)-N-hydroxy-2-{4-[4-(methylcarbamoyl)phenoxy]benzenesulfonyl}-8-azaspiro[4.5]decane-2-carboxamide"	""	"compound 2 [PMID 25686022]"	"ONC(=O)[C@]1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)NC"	"ZUZGJCNWNOCKEB-XMMPIXPASA-N"	"InChI=1S/C24H29N3O6S/c1-25-21(28)17-2-4-18(5-3-17)33-19-6-8-20(9-7-19)34(31,32)24(22(29)27-30)11-10-23(16-24)12-14-26-15-13-23/h2-9,26,30H,10-16H2,1H3,(H,25,28)(H,27,29)/t24-/m1/s1"	""	""	""
"9448"	"CMF-019"	""	"Synthetic organic"	""	""	""	""	"329968388"	"73442763"	""	""	""	""	""	""	""	"(3S)-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]hexanoic acid"	""	""	"CCC(n1c(Cc2cccs2)nc2c1ccc(c2)C(=O)N[C@H](CC(=O)O)CC(C)C)CC"	"VCQKKZXFASLXAH-SFHVURJKSA-N"	"InChI=1S/C25H33N3O3S/c1-5-19(6-2)28-22-10-9-17(25(31)26-18(12-16(3)4)14-24(29)30)13-21(22)27-23(28)15-20-8-7-11-32-20/h7-11,13,16,18-19H,5-6,12,14-15H2,1-4H3,(H,26,31)(H,29,30)/t18-/m0/s1"	""	""	""
"8288"	"cmp5 [PMID: 25742700]"	""	"Synthetic organic"	""	""	""	""	"252166500"	"4722575"	""	""	""	""	""	""	""	"1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine"	""	"ChemBridge ID 9033823"	"CCn1c2ccc(cc2c2c1cccc2)CNCc1cccnc1"	"GAVUWQFIRGBDHN-UHFFFAOYSA-N"	"InChI=1S/C21H21N3/c1-2-24-20-8-4-3-7-18(20)19-12-16(9-10-21(19)24)13-23-15-17-6-5-11-22-14-17/h3-12,14,23H,2,13,15H2,1H3"	""	""	""
"1179"	"CMPD-1"	""	"Synthetic organic"	""	""	""	""	"135650116"	"9957278"	""	""	"CHEMBL494803"	""	""	""	""	"5-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide"	""	"furan-1"	"COc1cc(OC)c(c(c1)OC)NC(=O)c1ccc(o1)Cc1cc2c(cc1C)C(C)(C)CCC2(C)C"	"IPEMCIBPDYCJLO-UHFFFAOYSA-N"	"InChI=1S/C30H37NO5/c1-18-13-22-23(30(4,5)12-11-29(22,2)3)15-19(18)14-20-9-10-24(36-20)28(32)31-27-25(34-7)16-21(33-6)17-26(27)35-8/h9-10,13,15-17H,11-12,14H2,1-8H3,(H,31,32)"	""	""	""
"4663"	"CMP-sialic acid"	""	"Metabolite"	""	""	""	""	"178101378"	"448209"	""	""	""	""	""	""	""	"(2R,4S,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid"	""	""	"OC[C@H]([C@H]([C@@H]1O[C@](C[C@@H]([C@H]1NC(=O)C)O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)C(=O)O)O)O"	"TXCIAUNLDRJGJZ-BILDWYJOSA-N"	"InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1"	""	""	""
"9314"	"CM-TPMF"	""	"Synthetic organic"	""	""	""	""	"318164833"	"3780244"	""	""	""	""	""	""	""	"N-{7-[1-(4-chloro-2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N'-methoxy-formamidine"	""	"(-)-CM-TPMF"	"CON=CNc1nn2c(n1)nccc2C(Oc1ccc(cc1C)Cl)C"	"OZWWQEQUDKBSCF-UHFFFAOYSA-N"	"InChI=1S/C16H17ClN6O2/c1-10-8-12(17)4-5-14(10)25-11(2)13-6-7-18-16-21-15(22-23(13)16)19-9-20-24-3/h4-9,11H,1-3H3,(H,19,20,22)"	""	""	""
"13582"	"CMTX-101"	""	"Antibody"	""	""	""	""	"504705401"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"
"13169"	"CMX990"	""	"Synthetic organic"	""	""	""	""	"491299951"	"166170518"	""	""	""	""	""	""	""	"(6S)-5-[(2R)-2-hydroxy-4-methylpentanoyl]-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide"	""	"CMX-990"	"CC(C)C[C@@H](O)C(=O)N1CC2(CC2)C[C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)COC(F)(F)F"	"LTCAMZPTBRHGIT-YHUYYLMFSA-N"	"InChI=1S/C22H32F3N3O6/c1-12(2)7-16(29)20(33)28-11-21(4-5-21)9-15(28)19(32)27-14(8-13-3-6-26-18(13)31)17(30)10-34-22(23,24)25/h12-16,29H,3-11H2,1-2H3,(H,26,31)(H,27,32)/t13-,14-,15-,16+/m0/s1"	""	""	""
"5475"	"CNQX"	""	"Synthetic organic"	""	""	""	""	"178102124"	"3721046"	""	""	"CHEMBL222418"	""	""	""	""	"7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile"	""	"6-cyano-2,3-dihydroxy-7-nitroquinoxaline|6-cyano-7-nitroquinoxaline-2,3-dione|FG 9065"	"N#Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]"	"RPXVIAFEQBNEAX-UHFFFAOYSA-N"	"InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)"	""	""	""
"9266"	"CNX-774"	""	"Synthetic organic"	""	""	""	""	"315661341"	"59174579"	""	""	"CHEMBL2216827"	""	""	""	""	"4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide"	""	""	"C=CC(=O)Nc1cccc(c1)Nc1nc(ncc1F)Nc1ccc(cc1)Oc1ccnc(c1)C(=O)NC"	"VVLHQJDAUIPZFH-UHFFFAOYSA-N"	"InChI=1S/C26H22FN7O3/c1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2/h3-15H,1H2,2H3,(H,28,36)(H,31,35)(H2,30,32,33,34)"	"yes"	""	""
"9531"	"CO"	""	"Inorganic"	""	""	""	""	"336446917"	"281"	""	""	""	""	""	""	""	""	""	"carbon monoxide"	""	""	""	""	""	""
"8902"	"cobalt protoporphyrin IX"	""	"Synthetic organic"	""	""	""	""	"310264683"	"4972"	""	""	""	""	""	""	""	""	""	"CoPP|protoporphyrin IX containing Co"	"C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)CCC(=O)O)C=C1N=C(C=c3[n-]c(=C2)c(C=C)c3C)C(=C1CCC(=O)O)C.[Co+2]"	"AQTFKGDWFRRIHR-UHFFFAOYSA-L"	"InChI=1S/C34H34N4O4.Co/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2"	""	""	""
"7535"	"cobicistat"	""	"Synthetic organic"	"yes"	""	""	""	"187051836"	"25151504"	""	""	"CHEMBL2095208"	""	""	""	""	"1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate"	"cobicistat"	"GS-9350"	"O=C(N[C@@H](Cc1ccccc1)CC[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(Cc1csc(n1)C(C)C)C)CCN1CCOCC1)OCc1cncs1"	"ZCIGNRJZKPOIKD-CQXVEOKZSA-N"	"InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1"	""	""	""
"7626"	"cobimetinib"	""	"Synthetic organic"	"yes"	""	""	""	"223365961"	"16222096"	""	""	"CHEMBL2146883"	""	""	""	""	"[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone"	"cobimetinib"	"cobimetinib butyrate|cobimetinib fumarate|cometinib|Cotellic&reg;|GDC-0973|XL-518|XL518"	"Ic1ccc(c(c1)F)Nc1c(ccc(c1F)F)C(=O)N1CC(C1)(O)[C@@H]1CCCCN1"	"BSMCAPRUBJMWDF-KRWDZBQOSA-N"	"InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1"	""	""	""
"14709"	"cobitolimod"	""	"Nucleic acid"	""	""	""	""	""	"121492440"	""	""	""	""	""	""	""	""	"cobitolimod"	"DIMS-0150|DIMS0150|IDX0150"	"CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=S)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=S)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=S)(O)O[C@H]%10C[C@@H](O[C@@H]%10CO)N%11C=NC%12=C%11N=C(NC%12=O)N)N%13C=NC%14=C%13N=C(NC%14=O)N)N%15C=NC%16=C(N=CN=C%16%15)N)N%17C=NC%18=C(N=CN=C%18%17)N)N%19C=CC(=NC%19=O)N)N%20C=NC%21=C(N=CN=C%21%20)N)N%22C=NC%23=C%22N=C(NC%23=O)N)N%24C=C(C(=O)NC%24=O)C)OP(=O)(O)OC[C@@H]%25[C@H](C[C@@H](O%25)N%26C=CC(=NC%26=O)N)OP(=O)(O)OC[C@@H]%27[C@H](C[C@@H](O%27)N%28C=NC%29=C%28N=C(NC%29=O)N)OP(=O)(O)OC[C@@H]%30[C@H](C[C@@H](O%30)N%31C=C(C(=O)NC%31=O)C)OP(=O)(O)OC[C@@H]%32[C@H](C[C@@H](O%32)N%33C=CC(=NC%33=O)N)OP(=O)(O)OC[C@@H]%34[C@H](C[C@@H](O%34)N%35C=CC(=NC%35=O)N)OP(=O)(O)OC[C@@H]%36[C@H](C[C@@H](O%36)N%37C=NC%38=C(N=CN=C%38%37)N)OP(=O)(O)OC[C@@H]%39[C@H](C[C@@H](O%39)N%40C=C(C(=O)NC%40=O)C)OP(=S)(O)OC[C@@H]%41[C@H](C[C@@H](O%41)N%42C=NC%43=C%42N=C(NC%43=O)N)OP(=S)(O)OC[C@@H]%44[C@H](C[C@@H](O%44)N%45C=NC%46=C%45N=C(NC%46=O)N)OP(=S)(O)OC[C@@H]%47[C@H](C[C@@H](O%47)N%48C=CC(=NC%48=O)N)O"	"IXYNFLOLUBKHQU-FZCWJHTDSA-N"	"InChI=1S/C185H233N73O106P18S6/c1-71-34-245(182(276)236-161(71)261)123-21-81(100(334-123)44-314-371(292,293)353-83-23-125(247-36-73(3)163(263)238-184(247)278)336-102(83)46-316-373(296,297)357-87-28-133(255-67-215-143-157(255)226-173(197)232-167(143)267)341-106(87)50-320-374(298,299)354-84-24-127(249-61-209-137-147(191)201-57-205-151(137)249)338-103(84)47-317-366(282,283)349-80-20-122(244-14-9-117(190)223-181(244)275)333-99(80)43-313-375(300,301)358-88-26-129(251-63-211-139-149(193)203-59-207-153(139)251)342-108(88)52-323-379(306,385)362-90-30-130(252-64-212-140-150(194)204-60-208-154(140)252)343-109(90)53-325-381(308,387)363-92-32-135(257-69-217-145-159(257)228-175(199)234-169(145)269)344-110(92)54-324-378(305,384)359-76-16-131(328-94(76)38-259)253-65-213-141-155(253)224-171(195)230-165(141)265)351-369(288,289)312-42-98-79(19-121(332-98)243-13-8-116(189)222-180(243)274)350-368(286,287)319-49-105-86(27-132(340-105)254-66-214-142-156(254)225-172(196)231-166(142)266)356-372(294,295)315-45-101-82(22-124(335-101)246-35-72(2)162(262)237-183(246)277)352-370(290,291)311-41-97-77(17-119(331-97)241-11-6-114(187)220-178(241)272)347-365(280,281)310-40-96-78(18-120(330-96)242-12-7-115(188)221-179(242)273)348-367(284,285)318-48-104-85(25-128(339-104)250-62-210-138-148(192)202-58-206-152(138)250)355-376(302,303)321-51-107-89(29-126(337-107)248-37-74(4)164(264)239-185(248)279)360-380(307,386)326-56-112-93(33-136(346-112)258-70-218-146-160(258)229-176(200)235-170(146)270)364-382(309,388)327-55-111-91(31-134(345-111)256-68-216-144-158(256)227-174(198)233-168(144)268)361-377(304,383)322-39-95-75(260)15-118(329-95)240-10-5-113(186)219-177(240)271/h5-14,34-37,57-70,75-112,118-136,259-260H,15-33,38-56H2,1-4H3,(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,304,383)(H,305,384)(H,306,385)(H,307,386)(H,308,387)(H,309,388)(H2,186,219,271)(H2,187,220,272)(H2,188,221,273)(H2,189,222,274)(H2,190,223,275)(H2,191,201,205)(H2,192,202,206)(H2,193,203,207)(H2,194,204,208)(H,236,261,276)(H,237,262,277)(H,238,263,278)(H,239,264,279)(H3,195,224,230,265)(H3,196,225,231,266)(H3,197,226,232,267)(H3,198,227,233,268)(H3,199,228,234,269)(H3,200,229,235,270)/t75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,377?,378?,379?,380?,381?,382?/m0/s1"	"yes"	""	""
"2286"	"cocaine"	""	"Natural product"	"yes"	""	""	""	"135652677"	"446220"	""	""	"CHEMBL370805"	""	""	""	""	"methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate"	""	""	"COC(=O)[C@H]1[C@H](C[C@H]2N([C@@H]1CC2)C)OC(=O)c1ccccc1"	"ZPUCINDJVBIVPJ-LJISPDSOSA-N"	"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1"	""	""	""
"1673"	"codeine"	""	"Natural product"	"yes"	""	""	""	"135650117"	"5284371"	""	""	"CHEMBL485"	""	""	""	""	"(1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18),15-tetraen-14-ol"	""	"Codicept&reg;|methylmorphine"	"COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C"	"OROGSEYTTFOCAN-DNJOTXNNSA-N"	"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1"	""	""	""
"8406"	"codrituzumab"	""	"Antibody"	""	""	""	""	"252166616"	"0"	""	""	""	""	""	""	""	""	"codrituzumab"	"GC33|RG-7686|RG7686|RO-5137382|RO5137382"	""	""	""	""	""	""
"3044"	"coenzyme A"	""	"Metabolite"	""	""	""	""	"135651461"	"87642"	""	""	"CHEMBL1213327"	""	""	""	""	"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl [hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl] hydrogen phosphate"	""	"co-enzyme-A|CoA"	"SCCNC(=O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O"	"RGJOEKWQDUBAIZ-IBOSZNHHSA-N"	"InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1"	""	""	""
"13765"	"cofrogliptin"	""	"Synthetic organic"	"yes"	""	""	""	"507750398"	"118613788"	""	""	"CHEMBL4646510"	""	""	""	""	"(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine"	"cofrogliptin"	"compound 2 [PMID: 32452679]|Haisco HSK7653|HSK-7653|HSK7653"	"CS(=O)(=O)N1C=C2CN(CC2=N1)[C@@H]3C[C@@H]([C@H](O[C@@H]3C(F)(F)F)C4=C(C=CC(=C4)F)F)N"	"GUBOXFWNNXSQNH-SVGFKBNWSA-N"	"InChI=1S/C18H19F5N4O3S/c1-31(28,29)27-7-9-6-26(8-14(9)25-27)15-5-13(24)16(30-17(15)18(21,22)23)11-4-10(19)2-3-12(11)20/h2-4,7,13,15-17H,5-6,8,24H2,1H3/t13-,15+,16+,17-/m0/s1"	""	""	""
"12422"	"cohumulone"	""	"Natural product"	""	""	""	""	"479821213"	"196915"	""	""	""	""	""	""	""	"3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one"	""	"(+/-)-cohumulone"	"CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O"	"DRSITEVYZGOOQG-UHFFFAOYSA-N"	"InChI=1S/C20H28O5/c1-11(2)7-8-14-17(22)15(16(21)13(5)6)19(24)20(25,18(14)23)10-9-12(3)4/h7,9,13,22-23,25H,8,10H2,1-6H3"	""	""	""
"4898"	"COL1A1"	"Human"	"Peptide"	""	""	""	""	"178101598"	"0"	"P02452"	"ENSG00000108821"	""	""	""	""	""	""	""	"alpha-1 type I collagen|collagen alpha-1(I) chain"	""	""	""	""	""	""
"4899"	"COL2A1"	"Human"	"Peptide"	""	""	""	""	"178101599"	"0"	"P02458"	"ENSG00000139219"	""	""	""	""	""	""	""	"alpha-1 type II collagen|collagen alpha-1(II) chain"	""	""	""	""	""	""
"4900"	"COL3A1"	"Human"	"Peptide"	""	""	""	""	"178101600"	"0"	"P02461"	"ENSG00000168542"	""	""	""	""	""	""	""	"collagen alpha-1(III) chain"	""	""	""	""	""	""
"4901"	"COL4A1"	"Human"	"Peptide"	""	""	""	""	"178101601"	"0"	"P02462"	"ENSG00000187498"	""	""	""	""	""	""	""	"collagen alpha-1(IV) chain"	""	""	""	""	""	""
"2367"	"colchicine"	""	"Synthetic organic"	"yes"	""	""	""	"135650118"	"6167"	""	""	"CHEMBL107"	""	""	""	""	"N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide"	""	"Colcrys&reg;|methoxylated analogue of XD1|XD25"	"COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)OC"	"IAKHMKGGTNLKSZ-INIZCTEOSA-N"	"InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1"	"yes"	""	""
"2799"	"colfosceril palmitate"	""	"Metabolite"	"yes"	""	""	""	"178100237"	"160339"	""	""	""	""	""	""	""	"2-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium"	"colfosceril palmitate"	"DPPC|Exosurf Neonatal&reg;"	"CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O"	"KILNVBDSWZSGLL-KXQOOQHDSA-O"	"InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/p+1/t38-/m1/s1"	""	""	""
"10794"	"colistin"	""	"Natural product"	"yes"	""	""	""	"405560235"	"5311054"	""	""	"CHEMBL499783"	""	""	""	""	"N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-methylheptanamide"	"colistin"	"Colobreathe&reg;|polymyxin E|Promixin&reg;"	"NCC[C@@H](C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)[C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)CCCC(CC)C)CCN"	"YKQOSKADJPQZHB-QNPLFGSASA-N"	"InChI=1S/C52H98N16O13/c1-9-29(6)11-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-27(2)3)66-50(79)39(26-28(4)5)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t29?,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+/m1/s1"	""	""	"yes"
"8854"	"combretastatin A4"	""	"Synthetic organic"	""	""	""	""	"252827511"	"5351344"	""	""	"CHEMBL67"	""	""	""	""	"2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol"	""	"CA-4|combretastatin A-4|NSC-613729"	"COc1cc(/C=C\c2ccc(c(c2)O)OC)cc(c1OC)OC"	"HVXBOLULGPECHP-WAYWQWQTSA-N"	"InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-"	""	""	""
"13995"	"comp-43"	""	"Synthetic organic"	""	""	""	""	"518520622"	"156588927"	""	""	"CHEMBL4782344"	""	""	""	""	"(E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one"	""	"compound 43 [PMID: 33185430]"	"O=C(/C=C/CCC1=CC=CC=C1)C2=CC=CS2"	"XUIAIACHIPOOHR-BJMVGYQFSA-N"	"InChI=1S/C15H14OS/c16-14(15-11-6-12-17-15)10-5-4-9-13-7-2-1-3-8-13/h1-3,5-8,10-12H,4,9H2/b10-5+"	""	""	""
"9414"	"complement C3"	"Human"	"Peptide"	""	""	""	""	"328083516"	"0"	"P01024"	"ENSG00000125730"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"8712"	"complement C5"	"Human"	"Peptide"	""	""	""	""	"252827370"	"0"	"P01031"	"ENSG00000106804"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"8437"	"compound 101 [PMID: 21596927]"	""	"Synthetic organic"	""	""	""	""	"252166647"	"11677079"	""	""	""	""	""	""	""	"3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide"	""	"cmpd101|Takeda compound 101"	"O=C(c1cccc(c1)NCc1nnc(n1C)c1ccncc1)NCc1ccccc1C(F)(F)F"	"WFOVEDJTASPCIR-UHFFFAOYSA-N"	"InChI=1S/C24H21F3N6O/c1-33-21(31-32-22(33)16-9-11-28-12-10-16)15-29-19-7-4-6-17(13-19)23(34)30-14-18-5-2-3-8-20(18)24(25,26)27/h2-13,29H,14-15H2,1H3,(H,30,34)"	""	""	""
"13564"	"compound 104 [WO2023245166]"	""	"Synthetic organic"	""	""	""	""	"504705383"	"170632302"	""	""	""	""	""	""	""	"(1R,2S,5S)-N-[2-(6-chloro-2-oxo-1H-quinolin-3-yl)-1-cyanoethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide"	""	""	"CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3=CC4=C(C=CC(=C4)Cl)NC3=O)C#N)C"	"WNFPLLRFXOLCIP-LWKDCUQFSA-N"	"InChI=1S/C28H31ClF3N5O4/c1-26(2,3)21(36-25(41)28(30,31)32)24(40)37-12-17-19(27(17,4)5)20(37)23(39)34-16(11-33)10-14-8-13-9-15(29)6-7-18(13)35-22(14)38/h6-9,16-17,19-21H,10,12H2,1-5H3,(H,34,39)(H,35,38)(H,36,41)/t16?,17-,19-,20-,21+/m0/s1"	""	""	""
"12998"	"compound 108 [PMID: 37918435]"	""	"Synthetic organic"	""	""	""	""	"485206119"	"25220500"	""	""	""	""	""	""	""	"3-[[3-(trifluoromethyl)phenyl]methoxy]benzoic acid"	""	""	"FC(C=1C=C(COC=2C=C(C(=O)O)C=CC2)C=CC1)(F)F"	"XUPCVKCPGXGXEO-UHFFFAOYSA-N"	"InChI=1S/C15H11F3O3/c16-15(17,18)12-5-1-3-10(7-12)9-21-13-6-2-4-11(8-13)14(19)20/h1-8H,9H2,(H,19,20)"	""	""	""
"8753"	"compound 10a [PMID: 1447738]"	""	"Synthetic organic"	""	""	""	""	"252827411"	"9803080"	""	""	"CHEMBL136762"	""	""	""	""	"8-[(4-fluorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoic acid"	""	""	"OC(=O)CCC(CCCc1cccnc1)CCCCNS(=O)(=O)c1ccc(cc1)F"	"TYYCNSUODPEVQP-UHFFFAOYSA-N"	"InChI=1S/C22H29FN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)"	""	""	""
"10435"	"compound 10a [PMID: 31283223]"	""	"Synthetic organic"	""	""	""	""	"385612195"	"139030521"	""	""	""	""	""	""	""	"2-butylpyrazolo[1,5-a]quinoxalin-4-amine"	""	""	"CCCCc1nn2c(c1)c(N)nc1c2cccc1"	"YMNPLUINBRDMEW-UHFFFAOYSA-N"	"InChI=1S/C14H16N4/c1-2-3-6-10-9-13-14(15)16-11-7-4-5-8-12(11)18(13)17-10/h4-5,7-9H,2-3,6H2,1H3,(H2,15,16)"	"yes"	""	""
"8731"	"compound 10b [PMID: 26222319]"	""	"Synthetic organic"	""	""	""	""	"252827389"	"20854918"	""	""	""	""	""	""	""	"2-(3-methoxypropyl)-3-oxo-1H-isoindole-4-carboxamide"	""	""	"COCCCN1Cc2c(C1=O)c(ccc2)C(=O)N"	"VARCSQSOWLMGTH-UHFFFAOYSA-N"	"InChI=1S/C13H16N2O3/c1-18-7-3-6-15-8-9-4-2-5-10(12(14)16)11(9)13(15)17/h2,4-5H,3,6-8H2,1H3,(H2,14,16)"	""	""	""
"14418"	"compound 10b [PMID: 41766566]"	""	"Synthetic organic"	""	""	""	""	"523352210"	"62533772"	""	""	""	""	""	""	""	"5-[(3-chlorophenyl)methylamino]furan-2-carboxylic acid"	""	""	"OC(C1=CC=C(NCC2=CC(Cl)=CC=C2)O1)=O"	"PFSXXJWFQHJTJI-UHFFFAOYSA-N"	"InChI=1S/C12H10ClNO3/c13-9-3-1-2-8(6-9)7-14-11-5-4-10(17-11)12(15)16/h1-6,14H,7H2,(H,15,16)"	""	""	""
"12016"	"compound 10c [PMID: 35638577]"	""	"Synthetic organic"	""	""	""	""	"464244157"	"162371055"	""	""	""	""	""	""	""	"(1R,2S)-1-hydroxy-2-[[(2S)-4-methyl-2-[(7-methylsulfonyl-7-azaspiro[3.5]nonan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid"	""	""	"O[C@@H]([C@H](C[C@H]1C(=O)NCC1)NC(=O)[C@@H](NC(=O)OC1CC2(C1)CCN(CC2)S(=O)(=O)C)CC(C)C)S(=O)(=O)O"	"DXHKTWBJEAVWSD-QUJKESNLSA-N"	"InChI=1S/C23H40N4O10S2/c1-14(2)10-17(20(29)25-18(21(30)39(34,35)36)11-15-4-7-24-19(15)28)26-22(31)37-16-12-23(13-16)5-8-27(9-6-23)38(3,32)33/h14-18,21,30H,4-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,31)(H,34,35,36)/t15-,17-,18-,21+/m0/s1"	""	""	""
"13672"	"compound 10c [PMID: 39813204]"	""	"Synthetic organic"	""	""	""	""	"507750306"	"172879831"	""	""	""	""	""	""	""	"(S)-N-((S)-1-(3-Chlorophenyl)-3-oxopent-4-en-2-yl)-2-(2-(3-methoxyphenoxy)acetamido)-4-methylpentanamide"	""	""	"O=C(N[C@@H](CC(C)C)C(N[C@@H](CC1=CC=CC(Cl)=C1)C(C=C)=O)=O)CSC2=CC=CC=C2"	"IWIONGUENUQUQH-VXKWHMMOSA-N"	"InChI=1S/C25H29ClN2O3S/c1-4-23(29)21(15-18-9-8-10-19(26)14-18)28-25(31)22(13-17(2)3)27-24(30)16-32-20-11-6-5-7-12-20/h4-12,14,17,21-22H,1,13,15-16H2,2-3H3,(H,27,30)(H,28,31)/t21-,22-/m0/s1"	""	""	""
"11906"	"compound 10d [PMID: 34855388]"	""	"Synthetic organic"	""	""	""	""	"461663461"	"162679544"	""	""	""	""	""	""	""	"Methyl 4-(2-{N′-[(E)-[(5-Cyano-7-methyl-1H-indol-3-yl)methylidene]amino]carbamimidamido}ethyl)benzoate"	""	""	"C(#N)c1cc2c(c[nH]c2c(c1)C)/C=N/NC(=N)NCCc1ccc(C(=O)OC)cc1"	"XIVYUSRYHWXGLX-UVHMKAGCSA-N"	"InChI=1S/C22H22N6O2/c1-14-9-16(11-23)10-19-18(12-26-20(14)19)13-27-28-22(24)25-8-7-15-3-5-17(6-4-15)21(29)30-2/h3-6,9-10,12-13,26H,7-8H2,1-2H3,(H3,24,25,28)/b27-13+"	""	""	""
"8602"	"compound 10f [PMID: 24556381]"	""	"Synthetic organic"	""	""	""	""	"252166803"	"54613196"	""	""	"CHEMBL3125346"	""	""	""	""	"6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline"	""	""	"Clc1ccc2c(c1)c(cc(n2)c1c[nH]c2c1cccc2)c1ccccc1"	"LTUZPODERZUPRD-UHFFFAOYSA-N"	"InChI=1S/C23H15ClN2/c24-16-10-11-22-19(12-16)18(15-6-2-1-3-7-15)13-23(26-22)20-14-25-21-9-5-4-8-17(20)21/h1-14,25H"	""	""	""
"8779"	"compound 10h [PMID: 20832306]"	""	"Synthetic organic"	""	""	""	""	"252827437"	"52944985"	""	""	"CHEMBL1258253"	""	""	""	""	"3-[4-carbamoyl-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]benzoic acid"	""	""	"NC(=O)C1(CCN(CC1)c1ncc(s1)C(C(F)(F)F)(C(F)(F)F)O)c1cccc(c1)C(=O)O"	"WNFAQVLTRONMFD-UHFFFAOYSA-N"	"InChI=1S/C19H17F6N3O4S/c20-18(21,22)17(32,19(23,24)25)12-9-27-15(33-12)28-6-4-16(5-7-28,14(26)31)11-3-1-2-10(8-11)13(29)30/h1-3,8-9,32H,4-7H2,(H2,26,31)(H,29,30)"	""	""	""
"6365"	"compound 10i [PMID: 23084894]"	""	"Synthetic organic"	""	""	""	""	"178102983"	"57559562"	""	""	"CHEMBL2205915"	""	""	""	""	"13-(cyclopropylamino)-5-(4-methoxyphenyl)-8-thia-3,5,10,12-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one"	""	""	"COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ncn1)NC1CC1"	"DBUMITZHDMTTNX-UHFFFAOYSA-N"	"InChI=1S/C18H15N5O2S/c1-25-12-6-4-11(5-7-12)23-9-21-14-13-16(22-10-2-3-10)19-8-20-17(13)26-15(14)18(23)24/h4-10H,2-3H2,1H3,(H,19,20,22)"	""	""	""
"8603"	"compound 10l [PMID: 24556381]"	""	"Synthetic organic"	""	""	""	""	"252166804"	"76318115"	""	""	"CHEMBL3125351"	""	""	""	""	"2-(1H-indol-3-yl)-6-nitro-4-phenylquinoline"	""	""	"[O-][N+](=O)c1ccc2c(c1)c(cc(n2)c1c[nH]c2c1cccc2)c1ccccc1"	"LQGHUZLZFHCQPO-UHFFFAOYSA-N"	"InChI=1S/C23H15N3O2/c27-26(28)16-10-11-22-19(12-16)18(15-6-2-1-3-7-15)13-23(25-22)20-14-24-21-9-5-4-8-17(20)21/h1-14,24H"	""	""	""
"11974"	"compound 10 [O'Mahony <i>et al</i>., 2022]"	""	"Synthetic organic"	""	""	""	""	"464244115"	"163201213"	""	""	""	""	""	""	""	""	""	""	"Clc1cc(Cn2nc(c3ccc(cc3c2=O)Oc2ccccc2)C(=O)O)ccc1Cl"	"IQKNCBUBONVBNJ-UHFFFAOYSA-N"	"InChI=1S/C22H14Cl2N2O4/c23-18-9-6-13(10-19(18)24)12-26-21(27)17-11-15(30-14-4-2-1-3-5-14)7-8-16(17)20(25-26)22(28)29/h1-11H,12H2,(H,28,29)"	""	""	""
"6450"	"compound 10 [PMID: 15482906]"	""	"Synthetic organic"	""	""	""	""	"178103066"	"9967471"	""	""	"CHEMBL186151"	""	""	""	""	"2-{2-[3-fluoro-5-(pyridin-3-yloxy)phenyl]-2H-1,2,3,4-tetrazol-5-yl}pyridine"	""	""	"Fc1cc(Oc2cccnc2)cc(c1)n1nnc(n1)c1ccccn1"	"IQSMPFFGKFZZMI-UHFFFAOYSA-N"	"InChI=1S/C17H11FN6O/c18-12-8-13(10-15(9-12)25-14-4-3-6-19-11-14)24-22-17(21-23-24)16-5-1-2-7-20-16/h1-11H"	""	""	""
"6449"	"compound 10 [PMID: 15482908]"	""	"Synthetic organic"	""	""	""	""	"178103065"	"135463043"	""	""	"CHEMBL186808"	""	""	""	""	"3-fluoro-5-[5-(4-methyl-1H-imidazol-2-yl)-2H-1,2,3,4-tetrazol-2-yl]benzonitrile"	""	""	"N#Cc1cc(F)cc(c1)n1nnc(n1)c1[nH]cc(n1)C"	"BKGULEDZLIMLMY-UHFFFAOYSA-N"	"InChI=1S/C12H8FN7/c1-7-6-15-11(16-7)12-17-19-20(18-12)10-3-8(5-14)2-9(13)4-10/h2-4,6H,1H3,(H,15,16)"	""	""	""
"3075"	"compound 10 [PMID: 18754614]"	""	"Synthetic organic"	""	""	""	""	"135649721"	"25108247"	""	""	"CHEMBL492680"	""	""	""	""	"3-[4-(1,3-benzothiazol-2-yl)phenyl]-octahydropyrido[2,1-c]morpholin-3-ol"	""	""	"OC1(OCC2N(C1)CCCC2)c1ccc(cc1)c1nc2c(s1)cccc2"	"ZTONOAATDZXAON-UHFFFAOYSA-N"	"InChI=1S/C21H22N2O2S/c24-21(14-23-12-4-3-5-17(23)13-25-21)16-10-8-15(9-11-16)20-22-18-6-1-2-7-19(18)26-20/h1-2,6-11,17,24H,3-5,12-14H2"	""	""	""
"8838"	"compound 10 [PMID: 18759424]"	""	"Synthetic organic"	""	""	""	""	"252827495"	"23577110"	""	""	"CHEMBL461415"	""	""	""	""	"(E)-3-[3-chloro-4-[3-(3,5-dimethyl-1-adamantyl)-4-hydroxyphenyl]phenyl]prop-2-enoic acid"	""	"3-Cl-AHPC analogue 10"	"OC(=O)/C=C/c1ccc(c(c1)Cl)c1ccc(c(c1)C12CC3CC(C2)(CC(C1)(C3)C)C)O"	"DIXYWCRPNNUEHU-XBXARRHUSA-N"	"InChI=1S/C27H29ClO3/c1-25-11-18-12-26(2,14-25)16-27(13-18,15-25)21-10-19(5-7-23(21)29)20-6-3-17(9-22(20)28)4-8-24(30)31/h3-10,18,29H,11-16H2,1-2H3,(H,30,31)/b8-4+"	""	""	""
"8665"	"compound 10 [PMID: 18790648]"	""	"Synthetic organic"	""	""	""	""	"252166865"	"44580457"	""	""	"CHEMBL447457"	""	""	""	""	"[(2S)-3-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-[(2-methoxyphenyl)sulfanylmethyl]-3-oxopropyl]-[(1R)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid"	""	""	"COc1ccccc1SC[C@@H](C(=O)N[C@H](C(=O)N)Cc1c[nH]c2c1cccc2)CP(=O)([C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)O"	"YDDMVPLLJTZTQL-LAABSITASA-N"	"InChI=1S/C38H41N4O7PS/c1-48-33-18-10-11-19-34(33)51-25-29(37(44)41-32(36(39)43)21-28-22-40-31-17-9-8-16-30(28)31)24-50(46,47)35(20-26-12-4-2-5-13-26)42-38(45)49-23-27-14-6-3-7-15-27/h2-19,22,29,32,35,40H,20-21,23-25H2,1H3,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)/t29-,32-,35+/m0/s1"	""	""	""
"8466"	"compound 10 [PMID: 19402633]"	""	"Synthetic organic"	""	""	""	""	"252166676"	"44139710"	""	""	"CHEMBL502124"	""	""	""	""	"N-(2-chlorophenyl)-4-[[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]anilino]-5-fluoropyrimidin-4-yl]amino]benzamide"	""	"2,4-Bisanilinopyrimidine, 10|Aurora A inhibitor I"	"CCN1CCN(CC1)C(=O)Cc1ccc(cc1)Nc1ncc(c(n1)Nc1ccc(cc1)C(=O)Nc1ccccc1Cl)F"	"AKSIZPIFQAYJGF-UHFFFAOYSA-N"	"InChI=1S/C31H31ClFN7O2/c1-2-39-15-17-40(18-16-39)28(41)19-21-7-11-24(12-8-21)36-31-34-20-26(33)29(38-31)35-23-13-9-22(10-14-23)30(42)37-27-6-4-3-5-25(27)32/h3-14,20H,2,15-19H2,1H3,(H,37,42)(H2,34,35,36,38)"	""	""	""
"6717"	"compound 10 [PMID: 22533316]"	""	"Synthetic organic"	""	""	""	""	"178103328"	"11475734"	""	""	"CHEMBL2164238"	""	""	""	""	"4-chlorophenyl N-methyl-N-{2-[(1r,4r)-4-[(4-hydroxypiperidin-1-yl)carbonyl]cyclohexyl]ethyl}carbamate"	""	""	"OC1CCN(CC1)C(=O)[C@@H]1CC[C@H](CC1)CCN(C(=O)Oc1ccc(cc1)Cl)C"	"PAHWPIPXJDOVHD-QAQDUYKDSA-N"	"InChI=1S/C22H31ClN2O4/c1-24(22(28)29-20-8-6-18(23)7-9-20)13-10-16-2-4-17(5-3-16)21(27)25-14-11-19(26)12-15-25/h6-9,16-17,19,26H,2-5,10-15H2,1H3/t16-,17-"	""	""	""
"8133"	"compound 10 [PMID: 23147077]"	""	"Synthetic organic"	""	""	""	""	"249565813"	"24944925"	""	""	"CHEMBL1642655"	""	""	""	""	"4-tert-butyl-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide"	""	"TC ASK 10"	"O=C(c1ccc(cc1)C(C)(C)C)Nc1cn2c(n1)ccc(c2)n1cncc1"	"SMJAMOAYGIVKRI-UHFFFAOYSA-N"	"InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)"	""	""	""
"10443"	"compound 10 [PMID: 31306001]"	""	"Synthetic organic"	""	""	""	""	"385612203"	"139030524"	""	""	""	""	""	""	""	"Methyl 3-(((6-Amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl)sulfanyl)methyl)benzoate"	""	""	"COC(=O)c1cccc(c1)CSc1nc(N)c(c(c1C#N)c1ccco1)C#N"	"IKBOAPCYYHRBSI-UHFFFAOYSA-N"	"InChI=1S/C20H14N4O3S/c1-26-20(25)13-5-2-4-12(8-13)11-28-19-15(10-22)17(16-6-3-7-27-16)14(9-21)18(23)24-19/h2-8H,11H2,1H3,(H2,23,24)"	""	""	""
"10488"	"compound 10 [PMID: 31411465]"	""	"Synthetic organic"	""	""	""	""	"385612247"	"139030534"	""	""	""	""	""	""	""	"1-(3-((cis)-3-(2-Butylpyrrolidine-1-carbonyl)cyclohexyl)phenyl)-5-cyclopropyl-1H-pyrazole-4-carboxylic acid"	""	"example 8 (cis racemate) [WO2017060855A1]"	"CCCCC1CCCN1C(=O)[C@@H]1CCC[C@@H](C1)c1cccc(c1)n1ncc(c1C1CC1)C(=O)O"	"UHBPMQISVQNVGD-PDOMDSBESA-N"	"InChI=1S/C28H37N3O3/c1-2-3-10-23-12-6-15-30(23)27(32)22-9-4-7-20(16-22)21-8-5-11-24(17-21)31-26(19-13-14-19)25(18-29-31)28(33)34/h5,8,11,17-20,22-23H,2-4,6-7,9-10,12-16H2,1H3,(H,33,34)/t20-,22+,23?/m0/s1"	"yes"	""	""
"10548"	"compound 10 [PMID: 31663733]"	""	"Synthetic organic"	""	""	""	""	"387065625"	"139592939"	""	""	""	""	""	""	""	"(R)-N-(1-(3-Chloro-4′-fluoro-[1,1′-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl)-1,3,4-oxadiazol-2-yl)benzamide"	""	""	"Fc1cc(cc(c1)c1ncncc1F)c1nnc(o1)c1ccc(cc1)C(=O)N[C@H](c1ccc(cc1Cl)c1ccc(cc1)F)Cn1ccnc1"	"ZSDQWZVUVIKSDR-YTTGMZPUSA-N"	"InChI=1S/C36H23ClF3N7O2/c37-30-16-24(21-5-8-27(38)9-6-21)7-10-29(30)32(18-47-12-11-41-20-47)44-34(48)22-1-3-23(4-2-22)35-45-46-36(49-35)26-13-25(14-28(39)15-26)33-31(40)17-42-19-43-33/h1-17,19-20,32H,18H2,(H,44,48)/t32-/m0/s1"	""	""	""
"11689"	"compound 10 [PMID: 34279934]"	""	"Synthetic organic"	""	""	""	""	"442878715"	"156587566"	""	""	""	""	""	""	""	"1-((5-(Hydroxymethyl)-3-(4-(methylsulfonyl)phenyl)-6-propoxypyridin-2-yl)oxy)-2-methylpropan-2-ol"	""	""	"O=S(=O)(c1ccc(cc1)c1c(OCC(O)(C)C)nc(OCCC)c(CO)c1)C"	"MIGCLPHEGAEITL-UHFFFAOYSA-N"	"InChI=1S/C20H27NO6S/c1-5-10-26-18-15(12-22)11-17(19(21-18)27-13-20(2,3)23)14-6-8-16(9-7-14)28(4,24)25/h6-9,11,22-23H,5,10,12-13H2,1-4H3"	""	""	""
"11802"	"compound 10 [PMID: 34704759]"	""	"Synthetic organic"	""	""	""	""	"458923837"	"162366974"	""	""	""	""	""	""	""	""	""	""	"Fc1ccc(cc1Cl)c1c(n(CCOCNC(=O)OCc2ccc(NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)CO)CCCCN)cc2)cn1)c1ccc2n(n1)c(cn2)C#N"	"RRGOOOPOTXFKKZ-UNVBUFFDSA-N"	"InChI=1S/C84H121ClFN17O23/c1-56(2)45-67(99-75(110)53-124-44-42-122-39-36-90-74(109)52-123-43-41-121-38-35-89-70(105)32-29-65(82(116)117)98-72(107)33-30-66(83(118)119)97-71(106)20-15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-76(111)112)81(115)100-68(50-104)79(113)92-49-73(108)96-64(19-17-18-34-87)80(114)95-59-25-22-57(23-26-59)51-126-84(120)94-55-125-40-37-102-54-93-77(58-24-27-62(86)61(85)46-58)78(102)63-28-31-69-91-48-60(47-88)103(69)101-63/h22-28,31,46,48,54,56,64-68,104H,3-21,29-30,32-45,49-53,55,87H2,1-2H3,(H,89,105)(H,90,109)(H,92,113)(H,94,120)(H,95,114)(H,96,108)(H,97,106)(H,98,107)(H,99,110)(H,100,115)(H,111,112)(H,116,117)(H,118,119)/t64-,65-,66-,67-,68-/m0/s1"	""	""	""
"11832"	"compound 10 [PMID: 34989568]"	""	"Synthetic organic"	""	""	""	""	"461663388"	"162679531"	""	""	""	""	""	""	""	"2-Butyloxy-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)quinoline-4-carboxamide"	""	""	"O=C(c1cc(OCCCC)nc2c1cccc2)Nc1cc(C(F)(F)F)cc(n2cc(C)nc2)c1"	"RTKBIHCZDFXHLC-UHFFFAOYSA-N"	"InChI=1S/C25H23F3N4O2/c1-3-4-9-34-23-13-21(20-7-5-6-8-22(20)31-23)24(33)30-18-10-17(25(26,27)28)11-19(12-18)32-14-16(2)29-15-32/h5-8,10-15H,3-4,9H2,1-2H3,(H,30,33)"	""	""	""
"13749"	"compound 10 [PMID: 39952925]"	""	"Synthetic organic"	""	""	""	""	"507750382"	"172879836"	""	""	""	""	""	""	""	"ethyl 4-(4-cyclopropaneamidophenyl)-2-(morpholin-4-yl)pyrimidine-5-carboxylate"	""	""	"CCOC(=O)C1=CN=C(N=C1C2=CC=C(NC(=O)C3CC3)C=C2)N4CCOCC4"	"RCZAQQYXCSDWBP-UHFFFAOYSA-N"	"InChI=1S/C21H24N4O4/c1-2-29-20(27)17-13-22-21(25-9-11-28-12-10-25)24-18(17)14-5-7-16(8-6-14)23-19(26)15-3-4-15/h5-8,13,15H,2-4,9-12H2,1H3,(H,23,26)"	""	""	""
"12997"	"compound 111 [PMID: 37918435]"	""	"Synthetic organic"	""	""	""	""	"485206118"	"961606"	""	""	""	""	""	""	""	"3-[(2,4-Dichlorobenzyl)oxy]benzoic acid"	""	""	"ClC1=C(COC=2C=C(C(=O)O)C=CC2)C=CC(=C1)Cl"	"HYYJRKVTWQOQRO-UHFFFAOYSA-N"	"InChI=1S/C14H10Cl2O3/c15-11-5-4-10(13(16)7-11)8-19-12-3-1-2-9(6-12)14(17)18/h1-7H,8H2,(H,17,18)"	""	""	""
"6426"	"compound 11a [PMID: 14697765]"	""	"Synthetic organic"	""	""	""	""	"178103042"	"73755219"	""	""	""	""	""	""	""	"2-[3-methoxy-4-(pyridin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole"	""	""	"COc1cc(ccc1c1ccccn1)C1Nc2c(O1)cccc2"	"DNFFCLRSKDXRKM-UHFFFAOYSA-N"	"InChI=1S/C19H16N2O2/c1-22-18-12-13(9-10-14(18)15-6-4-5-11-20-15)19-21-16-7-2-3-8-17(16)23-19/h2-12,19,21H,1H3"	""	""	""
"11071"	"compound 11b [PMID: 32321856]"	""	"Synthetic organic"	""	""	""	""	"434122132"	"154699438"	""	""	""	""	""	""	""	""	""	""	"O=C[C@@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](NC(=O)c1cc2c([nH]1)cccc2)Cc1cccc(c1)F"	"HCRBVFBQANEDDM-DSKINZAPSA-N"	"InChI=1S/C25H25FN4O4/c26-18-6-3-4-15(10-18)11-21(24(33)28-19(14-31)12-17-8-9-27-23(17)32)30-25(34)22-13-16-5-1-2-7-20(16)29-22/h1-7,10,13-14,17,19,21,29H,8-9,11-12H2,(H,27,32)(H,28,33)(H,30,34)/t17-,19+,21-/m0/s1"	""	""	""
"6343"	"compound 11c [PMID: 17929793]"	""	"Synthetic organic"	""	""	""	""	"178102961"	"73755209"	""	""	""	""	""	""	""	"13-(4-methoxyphenyl)-10-thia-3,8,13,15-tetraazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2(6),7,14-tetraen-12-one"	""	""	"COc1ccc(cc1)N1C=NC2C(C1=O)Sc1c2c2NCCc2cn1"	"SIUQQICXQVLRLA-UHFFFAOYSA-N"	"InChI=1S/C18H16N4O2S/c1-24-12-4-2-11(3-5-12)22-9-21-15-13-14-10(6-7-19-14)8-20-17(13)25-16(15)18(22)23/h2-5,8-9,15-16,19H,6-7H2,1H3"	""	""	""
"11263"	"compound 11c  [PMID: 30613327]"	""	"Synthetic organic"	""	""	""	""	"434321698"	"67617845"	""	""	""	""	""	""	""	"7-methoxy-3-methyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-1H-quinolin-4-one"	""	""	"COc1ccc2c(c1)[nH]c(c(c2=O)C)c1cnn(c1)Cc1ccc(cc1)OC(F)(F)F"	"CJKMEXVEIKDLMA-UHFFFAOYSA-N"	"InChI=1S/C22H18F3N3O3/c1-13-20(27-19-9-17(30-2)7-8-18(19)21(13)29)15-10-26-28(12-15)11-14-3-5-16(6-4-14)31-22(23,24)25/h3-10,12H,11H2,1-2H3,(H,27,29)"	""	"yes"	""
"8197"	"compound 11d [DOI: 10.1039/c0md00194e]"	""	"Synthetic organic"	""	""	""	""	"249565877"	"90668081"	""	""	"CHEMBL3221815"	""	""	""	""	"(3S)-N-[2-(3-hydroxypropoxy)-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide"	""	""	"OCCCOc1cc(ccc1NC(=O)[C@@H]1COc2c(C1)cc(cc2)OC)c1c[nH]nc1"	"YHIPVWFQESXDIE-KRWDZBQOSA-N"	"InChI=1S/C23H25N3O5/c1-29-19-4-6-21-16(10-19)9-17(14-31-21)23(28)26-20-5-3-15(18-12-24-25-13-18)11-22(20)30-8-2-7-27/h3-6,10-13,17,27H,2,7-9,14H2,1H3,(H,24,25)(H,26,28)/t17-/m0/s1"	""	""	""
"3017"	"compound 11dd [PMID: 1656041]"	""	"Synthetic organic"	""	""	""	""	"135649771"	"56947041"	""	""	"CHEMBL317142"	""	""	""	""	"(3R)-6-({3-[bis(4-fluorophenyl)methyl]-1-(propan-2-yl)naphthalen-2-yl}oxy)-3,5-dihydroxyhexanoate"	""	""	"OC(C[C@H](CC(=O)[O-])O)COc1c(cc2c(c1C(C)C)cccc2)C(c1ccc(cc1)F)c1ccc(cc1)F"	"KMUHRPGZKRKKCZ-DCWQJPKNSA-M"	"InChI=1S/C32H32F2O5/c1-19(2)30-27-6-4-3-5-22(27)15-28(32(30)39-18-26(36)16-25(35)17-29(37)38)31(20-7-11-23(33)12-8-20)21-9-13-24(34)14-10-21/h3-15,19,25-26,31,35-36H,16-18H2,1-2H3,(H,37,38)/p-1/t25-,26?/m1/s1"	""	""	""
"6946"	"compound 11d  [PMID: 23981898]"	""	"Synthetic organic"	""	""	""	""	"178103528"	"51003469"	""	""	"CHEMBL2425612"	""	""	""	""	"(1R,3S,4S,5R)-3-[(4-amino-3-fluoro-5-{[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy}phenyl)methyl]-5-{[(3-tert-butylphenyl)methyl]amino}-4-hydroxy-1&lambda;<small><sup>4</sup></small>-thian-1-one"	""	""	"COC[C@H](C(F)(F)F)Oc1cc(C[C@@H]2C[S@@](=O)C[C@@H]([C@H]2O)NCc2cccc(c2)C(C)(C)C)cc(c1N)F"	"FIUDDEQHPBHZBI-XPLIUGCLSA-N"	"InChI=1S/C27H36F4N2O4S/c1-26(2,3)19-7-5-6-16(9-19)12-33-21-15-38(35)14-18(25(21)34)8-17-10-20(28)24(32)22(11-17)37-23(13-36-4)27(29,30)31/h5-7,9-11,18,21,23,25,33-34H,8,12-15,32H2,1-4H3/t18-,21+,23-,25+,38-/m1/s1"	""	""	""
"11697"	"compound 11d [PMID: 34406006]"	""	"Synthetic organic"	""	""	""	""	"442878723"	"156304705"	""	""	""	""	""	""	""	"(1R,3aS,5aR,5bR,9R,11aR)-9-((Cyclopropylcarbamoyl)oxy)-1-((S)-1-hydroxyethyl)-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylate"	""	""	"CC1(C)[C@H](OC(=O)NC2CC2)CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]1(C)CC[C@]1(C(=O)O)C2[C@H]([C@H](C)O)CC1"	"NZSQBRZWARZNQH-ZWOACCQCSA-N"	"InChI=1S/C33H53NO5/c1-19(35)21-11-16-33(27(36)37)18-17-31(5)22(26(21)33)9-10-24-30(4)14-13-25(39-28(38)34-20-7-8-20)29(2,3)23(30)12-15-32(24,31)6/h19-26,35H,7-18H2,1-6H3,(H,34,38)(H,36,37)/t19-,21-,22?,23?,24?,25+,26?,30-,31+,32+,33-/m0/s1"	""	""	""
"3016"	"compound 11ff [PMID: 1656041]"	""	"Synthetic organic"	""	""	""	""	"135649769"	"56947039"	""	""	"CHEMBL100165"	""	""	""	""	"(3R)-6-[2-(4-fluorophenyl)-4,6-bis(propan-2-yl)phenoxy]-3,5-dihydroxyhexanoate"	""	""	"OC(C[C@H](CC(=O)[O-])O)COc1c(cc(cc1c1ccc(cc1)F)C(C)C)C(C)C"	"GWJDCGLHTDEKGT-FIWHBWSRSA-M"	"InChI=1S/C24H31FO5/c1-14(2)17-9-21(15(3)4)24(22(10-17)16-5-7-18(25)8-6-16)30-13-20(27)11-19(26)12-23(28)29/h5-10,14-15,19-20,26-27H,11-13H2,1-4H3,(H,28,29)/p-1/t19-,20?/m1/s1"	""	""	""
"9970"	"compound 11h [PMID: 29808961]"	""	"Synthetic organic"	""	""	""	""	"374883857"	"134611889"	""	""	""	""	""	""	""	"3-{[1-(2,4-difluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-2-one"	""	""	"Fc1ccc(c(c1)F)n1nnc(c1)CN1C(=O)Nc2c(C1c1ccccc1)cc(cc2)c1c(C)noc1C"	"GTJYIEXTEWAMFX-UHFFFAOYSA-N"	"InChI=1S/C28H22F2N6O2/c1-16-26(17(2)38-33-16)19-8-10-24-22(12-19)27(18-6-4-3-5-7-18)35(28(37)31-24)14-21-15-36(34-32-21)25-11-9-20(29)13-23(25)30/h3-13,15,27H,14H2,1-2H3,(H,31,37)"	""	""	""
"3015"	"compound 11jj [PMID: 1656041]"	""	"Synthetic organic"	""	""	""	""	"135649768"	"56947038"	""	""	"CHEMBL102168"	""	""	""	""	"(3R)-6-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)sulfanyl]-6-(propan-2-yl)phenoxy]-3,5-dihydroxyhexanoate"	""	"compound 10jj [PMID: 1656041]|compound 4jj [PMID: 1656041]"	"OC(C[C@H](CC(=O)[O-])O)COc1c(cc(cc1c1ccc(cc1)F)Sc1ccc(cc1)F)C(C)C"	"UFSXOKMGOHBXIH-VQCQRNETSA-M"	"InChI=1S/C27H28F2O5S/c1-16(2)24-13-23(35-22-9-7-19(29)8-10-22)14-25(17-3-5-18(28)6-4-17)27(24)34-15-21(31)11-20(30)12-26(32)33/h3-10,13-14,16,20-21,30-31H,11-12,15H2,1-2H3,(H,32,33)/p-1/t20-,21?/m1/s1"	""	""	""
"8827"	"compound 11j [PMID: 23021994]"	""	"Synthetic organic"	""	""	""	""	"252827484"	"71458575"	""	""	"CHEMBL2158866"	""	""	""	""	"1-[4-[4-[2-[4-chloro-3-(diethylsulfamoyl)anilino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methylurea"	""	""	"CNC(=O)Nc1ccc(cc1)c1nccc(c1)c1ccnc(n1)Nc1ccc(c(c1)S(=O)(=O)N(CC)CC)Cl"	"RZFJBSIAXYEPBX-UHFFFAOYSA-N"	"InChI=1S/C27H28ClN7O3S/c1-4-35(5-2)39(37,38)25-17-21(10-11-22(25)28)32-26-31-15-13-23(34-26)19-12-14-30-24(16-19)18-6-8-20(9-7-18)33-27(36)29-3/h6-17H,4-5H2,1-3H3,(H2,29,33,36)(H,31,32,34)"	""	""	""
"3014"	"compound 11nn [PMID: 1656041]"	""	"Synthetic organic"	""	""	""	""	"135649770"	"56947040"	""	""	"CHEMBL101497"	""	""	""	""	"(3R)-6-{[2-(4-fluorophenyl)-4-(propan-2-yl)quinolin-3-yl]oxy}-3,5-dihydroxyhexanoate"	""	""	"OC(C[C@H](CC(=O)[O-])O)COc1c(nc2c(c1C(C)C)cccc2)c1ccc(cc1)F"	"WFJBUGLKYOMEIA-QNSVNVJESA-M"	"InChI=1S/C24H26FNO5/c1-14(2)22-19-5-3-4-6-20(19)26-23(15-7-9-16(25)10-8-15)24(22)31-13-18(28)11-17(27)12-21(29)30/h3-10,14,17-18,27-28H,11-13H2,1-2H3,(H,29,30)/p-1/t17-,18?/m1/s1"	""	""	""
"665"	"compound 11 [PMID: 12812482]"	""	"Synthetic organic"	""	""	""	""	"135650119"	"9916412"	""	""	"CHEMBL189123"	""	""	""	""	"2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide"	""	""	"O=C(C[C@@H]1C(=O)Nc2c(N1S(=O)(=O)c1ccc(c(c1)Cl)Cl)cccc2)NCCc1ccc(cc1)C1=NCCN1"	"HYJYRDCPGUEYND-XMMPIXPASA-N"	"InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1"	""	""	""
"9415"	"compound 11 [PMID: 15261275]"	""	"Synthetic organic"	""	""	""	""	"328083517"	"10048862"	""	""	"CHEMBL185088"	""	""	""	""	"3-(4-bromo-2-chlorophenyl)-1-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]urea"	""	""	"O=C(Nc1ccc(cc1Cl)Br)N[C@H]1COC(O[C@H]1c1ccccc1)(C)C"	"HHNAHVCOGFTMSQ-IRXDYDNUSA-N"	"InChI=1S/C19H20BrClN2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1"	""	""	""
"8493"	"compound 11 [PMID: 16413183]"	""	"Synthetic organic"	""	""	""	""	"252166701"	"135532896"	""	""	"CHEMBL206454"	""	""	""	""	"2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(3-carbamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]butanedioic acid"	""	""	"OC(=O)CC(C1=C/C(=c/2\[nH]c3c([nH]2)ccc(c3)C(=N)N)/C(=O)C(=C1)c1cccc(c1)C(=O)N)C(=O)O"	"WFPGMUDIBWJJND-JJIBRWJFSA-N"	"InChI=1S/C25H21N5O6/c26-22(27)12-4-5-18-19(9-12)30-24(29-18)17-8-14(16(25(35)36)10-20(31)32)7-15(21(17)33)11-2-1-3-13(6-11)23(28)34/h1-9,16,29-30H,10H2,(H3,26,27)(H2,28,34)(H,31,32)(H,35,36)/b24-17+"	""	""	""
"3191"	"compound 11 [PMID: 18800762]"	""	"Synthetic organic"	""	""	""	""	"135650200"	"4395717"	""	""	"CHEMBL416301"	""	""	""	""	"(1-hydroxy-1-phosphonododecyl)phosphonic acid"	""	"bisphosphonate, 11"	"CCCCCCCCCCCC(P(=O)(O)O)(P(=O)(O)O)O"	"KKVZONPEMODBBG-UHFFFAOYSA-N"	"InChI=1S/C12H28O7P2/c1-2-3-4-5-6-7-8-9-10-11-12(13,20(14,15)16)21(17,18)19/h13H,2-11H2,1H3,(H2,14,15,16)(H2,17,18,19)"	""	""	""
"6235"	"compound 11 [PMID: 20638279]"	""	"Synthetic organic"	""	""	""	""	"178102856"	"46911068"	""	""	"CHEMBL1209431"	""	""	""	""	"4-[(E)-2-phenylethenyl]pyrimidin-2-amine"	""	""	"Nc1nccc(n1)/C=C/c1ccccc1"	"LNUXNUNUGIHCPA-VOTSOKGWSA-N"	"InChI=1S/C12H11N3/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)/b7-6+"	""	""	""
"9989"	"compound 11 [PMID: 26431428]"	""	"Synthetic organic"	""	""	""	""	"374883876"	"91936970"	""	""	"CHEMBL3629013"	""	""	""	""	"2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile"	""	""	"N#Cc1ccnc(c1)Nc1cc(n(n1)C1CCCC1)C1CCN(CC1)C1COC1"	"GMTAOJMPNXLKJI-UHFFFAOYSA-N"	"InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)"	""	""	""
"9819"	"compound 11 [PMID: 29442501]"	""	"Synthetic organic"	""	""	""	""	"354702291"	"132427690"	""	""	""	""	""	""	""	"(3S)-3-[(2S)-2-[(2S)-2-{5-[(3aS,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamido}-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-({1-[bis(4-chlorophenoxy)phosphoryl]butyl}carbamoyl)propanoic acid"	""	""	"CCCC(P(=O)(Oc1ccc(cc1)Cl)Oc1ccc(cc1)Cl)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)CCCCC1SC[C@H]2[C@@H]1NC(=O)N2)Cc1ccc(cc1)O)CC(=O)O"	"QFLWZFQWSBQYPS-AWRAUJHKSA-N"	"InChI=1S/C44H55Cl2N6O11PS/c1-4-7-37(64(61,62-30-18-12-27(45)13-19-30)63-31-20-14-28(46)15-21-31)51-42(58)33(23-38(55)56)47-41(57)32(22-26-10-16-29(53)17-11-26)48-43(59)39(25(2)3)50-36(54)9-6-5-8-35-40-34(24-65-35)49-44(60)52-40/h10-21,25,32-35,37,39-40,53H,4-9,22-24H2,1-3H3,(H,47,57)(H,48,59)(H,50,54)(H,51,58)(H,55,56)(H2,49,52,60)/t32-,33-,34-,35?,37?,39-,40-/m0/s1"	"yes"	""	""
"13327"	"compound 11 [PMID: 30694059]"	""	"Natural product"	""	""	""	""	"496703297"	"71533368"	""	""	""	""	""	""	""	"1-[2,4-dihydroxy-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one"	""	"compound 1 [PMID: 23180340]"	"COC1=C(C(=C(C(=C1)O)CC2=CC=CC=C2O)O)C(=O)CCC3=CC=C(C=C3)O"	"XUVYBXROEMCRIV-UHFFFAOYSA-N"	"InChI=1S/C23H22O6/c1-29-21-13-20(27)17(12-15-4-2-3-5-18(15)25)23(28)22(21)19(26)11-8-14-6-9-16(24)10-7-14/h2-7,9-10,13,24-25,27-28H,8,11-12H2,1H3"	""	""	""
"12047"	"compound 11 [PMID: 35653642]"	""	"Synthetic organic"	""	""	""	""	"472319170"	"163359801"	""	""	""	""	""	""	""	"5-[4-[[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]amino]phenyl]-2-phenylmethoxybenzoic acid"	""	""	"Nc1nc(Nc2ccc(S(=O)(=O)N)cc2)nn1C(=O)Nc1ccc(c2cc(C(=O)O)c(OCc3ccccc3)cc2)cc1"	"KMNBCUUTUMNJGS-UHFFFAOYSA-N"	"InChI=1S/C29H25N7O6S/c30-27-34-28(32-21-11-13-23(14-12-21)43(31,40)41)35-36(27)29(39)33-22-9-6-19(7-10-22)20-8-15-25(24(16-20)26(37)38)42-17-18-4-2-1-3-5-18/h1-16H,17H2,(H,33,39)(H,37,38)(H2,31,40,41)(H3,30,32,34,35)"	""	""	""
"12803"	"compound 11 [PMID: 37449845]"	""	"Synthetic organic"	""	""	""	""	"483123351"	"168433305"	""	""	""	""	""	""	""	"(2S,4R)-1-((S)-22-(tert-Butyl)-2-(6-methyl-2-((4-(2-phenylacetamido)phenyl)amino)pyrimidin-4-yl)-20-oxo-5,8,11,14,17-pentaoxa-2,21-diazatricosan-23-oyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide"	""	"NUCC-0226543"	"CN(CCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(C)N=CS3)C(C)(C)C)C4=CC(C)=NC(NC5=CC=C(NC(=O)CC6=CC=CC=C6)C=C5)=N4"	"MYUZJYLLOWISNU-WXTQVCCASA-N"	"InChI=1S/C55H73N9O10S/c1-38-32-47(61-54(58-38)60-44-18-16-43(17-19-44)59-49(67)33-40-10-8-7-9-11-40)63(6)21-23-71-25-27-73-29-31-74-30-28-72-26-24-70-22-20-48(66)62-51(55(3,4)5)53(69)64-36-45(65)34-46(64)52(68)56-35-41-12-14-42(15-13-41)50-39(2)57-37-75-50/h7-19,32,37,45-46,51,65H,20-31,33-36H2,1-6H3,(H,56,68)(H,59,67)(H,62,66)(H,58,60,61)/t45-,46+,51-/m1/s1"	""	""	""
"14261"	"compound 11 [PMID: 41150938]"	""	"Synthetic organic"	""	""	""	""	"521588901"	"177746927"	""	""	""	""	""	""	""	"N-(2-Aminophenyl)-4-((3-(4-sulfamoylphenyl)Ureido)Methyl)benzamide"	""	""	"NC1=C(C=CC=C1)NC(C2=CC=C(C=C2)CNC(=O)NC3=CC=C(C=C3)S(N)(=O)=O)=O"	"WBFRXZJOSHBDSK-UHFFFAOYSA-N"	"InChI=1S/C21H21N5O4S/c22-18-3-1-2-4-19(18)26-20(27)15-7-5-14(6-8-15)13-24-21(28)25-16-9-11-17(12-10-16)31(23,29)30/h1-12H,13,22H2,(H,26,27)(H2,23,29,30)(H2,24,25,28)"	""	""	""
"3096"	"compound 11 [PMID: 7473541]"	""	"Synthetic organic"	""	""	""	""	"135650242"	"12238216"	""	""	"CHEMBL31608"	""	""	""	""	"ethyl 4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzoate"	""	""	"CCOC(=O)c1ccc(cc1)OCC(CNC(C)C)O"	"SLTRHTRCERUIHA-UHFFFAOYSA-N"	"InChI=1S/C15H23NO4/c1-4-19-15(18)12-5-7-14(8-6-12)20-10-13(17)9-16-11(2)3/h5-8,11,13,16-17H,4,9-10H2,1-3H3"	""	""	""
"6214"	"compound 11q [PMID: 19433355]"	""	"Synthetic organic"	""	""	""	""	"178102835"	"23634171"	""	""	"CHEMBL1783874"	""	""	""	""	"5-(4-chlorophenyl)-13-[(prop-2-yn-1-yl)amino]-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one"	""	""	"C#CCNc1ccnc2c1c1ncn(c(=O)c1s2)c1ccc(cc1)Cl"	"MAYHTEHJUHRFSA-UHFFFAOYSA-N"	"InChI=1S/C18H11ClN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h1,3-7,9-10H,8H2,(H,20,21)"	""	""	""
"10705"	"compound 11r [PMID: 32045235]"	""	"Synthetic organic"	""	""	""	""	"404859152"	"145996541"	""	""	""	""	""	""	""	"(S)-N-Benzyl-3-((S)-2-cinnamamido-3-cyclohexylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide"	""	"Cinnamoyl-cyclopropylalanine-GlnLactam-CO-CO-NH-benzyl"	"O=C(N[C@H](C(=O)N[C@H](C(=O)C(=O)NCc1ccccc1)C[C@@H]1CCNC1=O)CC1CCCCC1)/C=C/c1ccccc1"	"QTGORSKTHIBLJT-FIVJMQNTSA-N"	"InChI=1S/C33H40N4O5/c38-29(17-16-23-10-4-1-5-11-23)36-28(20-24-12-6-2-7-13-24)32(41)37-27(21-26-18-19-34-31(26)40)30(39)33(42)35-22-25-14-8-3-9-15-25/h1,3-5,8-11,14-17,24,26-28H,2,6-7,12-13,18-22H2,(H,34,40)(H,35,42)(H,36,38)(H,37,41)/b17-16+/t26-,27-,28-/m0/s1"	""	""	""
"6215"	"compound 11s [PMID: 19433355]"	""	"Synthetic organic"	""	""	""	""	"178102836"	"23634102"	""	""	"CHEMBL1783876"	""	""	""	""	"5-(4-methoxyphenyl)-13-[(prop-2-yn-1-yl)amino]-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one"	""	""	"C#CCNc1ccnc2c1c1ncn(c(=O)c1s2)c1ccc(cc1)OC"	"WIAAIYJUCDAKFY-UHFFFAOYSA-N"	"InChI=1S/C19H14N4O2S/c1-3-9-20-14-8-10-21-18-15(14)16-17(26-18)19(24)23(11-22-16)12-4-6-13(25-2)7-5-12/h1,4-8,10-11H,9H2,2H3,(H,20,21)"	""	""	""
"9684"	"compound 12a [PMID: 29031075]"	""	"Synthetic organic"	""	""	""	""	"348353643"	"131801158"	""	""	""	""	""	""	""	"9-(4-chlorobenzoyl)-6-methanesulfonyl-2,3,4,9-tetrahydro-1H-carbazol-4-one"	""	""	"Clc1ccc(cc1)C(=O)n1c2ccc(cc2c2c1CCCC2=O)S(=O)(=O)C"	"MITGKKFYIJJQGL-UHFFFAOYSA-N"	"InChI=1S/C20H16ClNO4S/c1-27(25,26)14-9-10-16-15(11-14)19-17(3-2-4-18(19)23)22(16)20(24)12-5-7-13(21)8-6-12/h5-11H,2-4H2,1H3"	"yes"	""	""
"10489"	"compound 12b [PMID: 31465220]"	""	"Synthetic organic"	""	""	""	""	"385612248"	"139030535"	""	""	""	""	""	""	""	"5-((R)-4-((R)-3-Methylmorpholino)-5a,6,8,9-tetrahydro-5H-pyrimido[5',4':4,5]pyrrolo[2,1-c][1,4]oxazin-2-yl)pyrazin-2-amine"	""	""	"Nc1ncc(nc1)c1nc(N2CCOC[C@H]2C)c2c(n1)N1CCOC[C@H]1C2"	"KUZSBKJSGSKPJH-VXGBXAGGSA-N"	"InChI=1S/C18H23N7O2/c1-11-9-26-4-2-24(11)17-13-6-12-10-27-5-3-25(12)18(13)23-16(22-17)14-7-21-15(19)8-20-14/h7-8,11-12H,2-6,9-10H2,1H3,(H2,19,21)/t11-,12-/m1/s1"	""	""	""
"8663"	"compound 12c [PMID: 16516466]"	""	"Synthetic organic"	""	""	""	""	"252166863"	"10160968"	""	""	"CHEMBL208009"	""	""	""	""	"N-[4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide"	""	""	"ONC(=O)CC1(CCNCC1)NC(=O)c1ccc(cc1)OCc1cc(C)nc2c1cccc2"	"BODLESUVCQEUII-UHFFFAOYSA-N"	"InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30)"	""	""	""
"11505"	"compound 12d [PMID: 33821636]"	""	"Synthetic organic"	""	""	""	""	"441604877"	"155884491"	""	""	""	""	""	""	""	"((R)-4-Phenyl-1-((R)-2-(pyrazine-2-carboxamido)pentanamido)butyl)boronic acid"	""	""	"CCC[C@H](C(=O)N[C@H](B(O)O)CCCc1ccccc1)NC(=O)c1cnccn1"	"KSQVGVMZECCPAT-AEFFLSMTSA-N"	"InChI=1S/C20H27BN4O4/c1-2-7-16(24-20(27)17-14-22-12-13-23-17)19(26)25-18(21(28)29)11-6-10-15-8-4-3-5-9-15/h3-5,8-9,12-14,16,18,28-29H,2,6-7,10-11H2,1H3,(H,24,27)(H,25,26)/t16-,18+/m1/s1"	""	""	""
"8787"	"compound 12e [PMID: 18605714]"	""	"Synthetic organic"	""	""	""	""	"252827445"	"9867345"	""	""	"CHEMBL515637"	""	""	""	""	"2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)benzo[g]indol-4-yl]oxyacetic acid"	""	""	"CCc1c(C(=O)C(=O)N)c2c(n1Cc1ccccc1)c1ccccc1cc2OCC(=O)O"	"YLSSVFGTKZXLPA-UHFFFAOYSA-N"	"InChI=1S/C25H22N2O5/c1-2-18-21(24(30)25(26)31)22-19(32-14-20(28)29)12-16-10-6-7-11-17(16)23(22)27(18)13-15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3,(H2,26,31)(H,28,29)"	""	""	""
"6357"	"compound 12e [PMID: 22266036]"	""	"Synthetic organic"	""	""	""	""	"178102975"	"16118537"	""	""	"CHEMBL1951683"	""	""	""	""	"13-(cyclopropylamino)-5-(4-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one"	""	""	"COc1ccc(cc1)n1ccc2c(c1=O)sc1c2c(ccn1)NC1CC1"	"ZUUBRGCTXRXCLV-UHFFFAOYSA-N"	"InChI=1S/C20H17N3O2S/c1-25-14-6-4-13(5-7-14)23-11-9-15-17-16(22-12-2-3-12)8-10-21-19(17)26-18(15)20(23)24/h4-12H,2-3H2,1H3,(H,21,22)"	""	""	""
"9690"	"compound 12p [Larson <i>et al.</i>, 2017]"	""	"Synthetic organic"	""	""	""	""	"348353649"	"130276131"	""	""	""	""	""	""	""	"methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate"	""	""	"NCCn1c(CCCC)nc2c1c1ccc(cc1nc2N)C(=O)OC"	"ZYCFMHCDZSVIGF-UHFFFAOYSA-N"	"InChI=1S/C18H23N5O2/c1-3-4-5-14-22-15-16(23(14)9-8-19)12-7-6-11(18(24)25-2)10-13(12)21-17(15)20/h6-7,10H,3-5,8-9,19H2,1-2H3,(H2,20,21)"	"yes"	""	""
"3192"	"compound 12  [PMID: 12014956]"	""	"Synthetic organic"	""	""	""	""	"135649719"	"5473007"	""	""	"CHEMBL419627"	""	""	""	""	"{[(3-{[(3E)-4,8-dimethylnona-3,7-dien-1-yl](methyl)amino}propoxy)(hydroxy)phosphoryl]oxy}phosphonic acid"	""	"AC1NV8HB"	"CN(CC/C=C(/CCC=C(C)C)\C)CCCOP(=O)(OP(=O)(O)O)O"	"PNEIVJAQBZSMGD-XNTDXEJSSA-N"	"InChI=1S/C15H31NO7P2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-22-25(20,21)23-24(17,18)19/h8,10H,5-7,9,11-13H2,1-4H3,(H,20,21)(H2,17,18,19)/b15-10+"	""	""	""
"666"	"compound 12 [PMID: 12723943]"	""	"Synthetic organic"	""	""	""	""	"135650120"	"10281725"	""	""	"CHEMBL299164"	""	""	""	""	"1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]urea"	""	""	"CCCN1C(=O)C(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2cccnc2)N=C(c2c1cccc2)C1CCCCC1"	"AIHOVEHIRAAXQV-UHFFFAOYSA-N"	"InChI=1S/C34H41N7O2/c1-2-19-41-30-13-7-6-12-29(30)31(25-9-4-3-5-10-25)37-32(33(41)42)38-34(43)36-26-14-16-27(17-15-26)39-20-22-40(23-21-39)28-11-8-18-35-24-28/h6-8,11-18,24-25,32H,2-5,9-10,19-23H2,1H3,(H2,36,38,43)"	""	""	""
"6989"	"compound 12 [PMID: 19800804]"	""	"Synthetic organic"	""	""	""	""	"178103568"	"73755253"	""	""	""	""	""	""	""	"5-(4-methylphenoxy)-1,3-dioxoisoindole-2-carboxylic acid"	""	""	"Cc1ccc(cc1)Oc1ccc2c(c1)C(=O)N(C2=O)C(=O)O"	"QSPCKQSNISDWOH-UHFFFAOYSA-N"	"InChI=1S/C16H11NO5/c1-9-2-4-10(5-3-9)22-11-6-7-12-13(8-11)15(19)17(14(12)18)16(20)21/h2-8H,1H3,(H,20,21)"	""	""	""
"3134"	"compound 12 [PMID: 20299227]"	""	"Synthetic organic"	""	""	""	""	"135649820"	"46885682"	""	""	"CHEMBL1090779"	""	""	""	""	"{5-[(4-phenyl-1,2,5-oxadiazol-3-yl)oxy]-1-phosphonopentyl}phosphonic acid"	""	""	"OP(=O)(C(P(=O)(O)O)CCCCOc1nonc1c1ccccc1)O"	"NPUHGRMCBDPTIW-UHFFFAOYSA-N"	"InChI=1S/C13H18N2O8P2/c16-24(17,18)11(25(19,20)21)8-4-5-9-22-13-12(14-23-15-13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H2,16,17,18)(H2,19,20,21)"	""	""	""
"8125"	"compound 12 [PMID: 22521646]"	""	"Synthetic organic"	""	""	""	""	"249565805"	"25060878"	""	""	"CHEMBL2087507"	""	""	""	""	"N-cyclopropyl-3-fluoro-4-methyl-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide"	""	""	"Fc1cc(cc(c1C)c1ccn2c(c1)nnc2C1(C)CC1)C(=O)NC1CC1"	"REGFSKAVJRCHTE-UHFFFAOYSA-N"	"InChI=1S/C21H21FN4O/c1-12-16(9-14(10-17(12)22)19(27)23-15-3-4-15)13-5-8-26-18(11-13)24-25-20(26)21(2)6-7-21/h5,8-11,15H,3-4,6-7H2,1-2H3,(H,23,27)"	""	""	""
"13151"	"compound 12 [PMID: 26238322]"	""	"Synthetic organic"	""	""	""	""	"491299933"	"9930376"	""	""	"CHEMBL3609360"	""	""	""	""	"2-[3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-3,4-dihydro-1H-isoquinoline"	""	""	"FC1=CC=C2C(=CNC2=C1)C3CCN(CC3)CCCN4CC5=CC=CC=C5CC4"	"IVAFCEYIMKCAJY-UHFFFAOYSA-N"	"InChI=1S/C25H30FN3/c26-22-6-7-23-24(17-27-25(23)16-22)20-9-13-28(14-10-20)11-3-12-29-15-8-19-4-1-2-5-21(19)18-29/h1-2,4-7,16-17,20,27H,3,8-15,18H2"	""	""	""
"9453"	"compound 12 [PMID: 27448772]"	""	"Synthetic organic"	""	""	""	""	"329968393"	"135567181"	""	""	""	""	""	""	""	"N-[3-(4-methylpiperazine-1-carbonyl)-2-propan-2-yloxyphenyl]-4-oxo-1H-thieno[3,2-d]pyrimidine-7-carboxamide"	""	""	"CN1CCN(CC1)C(=O)c1cccc(c1OC(C)C)NC(=O)c1csc2c1nc[nH]c2=O"	"MJJJFOLDERHCND-UHFFFAOYSA-N"	"InChI=1S/C22H25N5O4S/c1-13(2)31-18-14(22(30)27-9-7-26(3)8-10-27)5-4-6-16(18)25-20(28)15-11-32-19-17(15)23-12-24-21(19)29/h4-6,11-13H,7-10H2,1-3H3,(H,25,28)(H,23,24,29)"	"yes"	""	""
"9823"	"Compound 12 [PMID:28626832]"	""	"Synthetic organic"	""	""	""	""	"354702294"	"52108499"	""	""	""	""	""	""	""	"N,N-dimethyl-2-pyrrolidin-1-ylquinazolin-4-amine"	""	""	"CN(c1nc(nc2c1cccc2)N1CCCC1)C"	"VONNLDQOEHSECV-UHFFFAOYSA-N"	"InChI=1S/C14H18N4/c1-17(2)13-11-7-3-4-8-12(11)15-14(16-13)18-9-5-6-10-18/h3-4,7-8H,5-6,9-10H2,1-2H3"	""	""	""
"10664"	"compound 12 [PMID: 31990537]"	""	"Synthetic organic"	""	""	""	""	"404859111"	"90057968"	""	""	""	""	""	""	""	"2-(6-phenyl-1,3-benzothiazole-2-carbonyl)-5-[(sulfamoylamino)methyl]-1,3,4-oxadiazole"	""	"example 24 [WO2014042939A1]"	"O=C(c1nc2c(s1)cc(cc2)c1ccccc1)c1nnc(o1)CNS(=O)(=O)N"	"LXSODRTWQNWTOG-UHFFFAOYSA-N"	"InChI=1S/C17H13N5O4S2/c18-28(24,25)19-9-14-21-22-16(26-14)15(23)17-20-12-7-6-11(8-13(12)27-17)10-4-2-1-3-5-10/h1-8,19H,9H2,(H2,18,24,25)"	""	""	""
"13284"	"compound 12 [PMID: 38150587]"	""	"Synthetic organic"	""	""	""	""	"491300066"	"170453151"	""	""	""	""	""	""	""	"1-(1-naphthalen-1-ylethyl)-N-[[3-(pyrazin-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide"	""	""	"C1(=CC=CC2=CC=CC=C12)C(C)N3CCC(CC3)C(=O)NCC4=CC(=CC=C4)C(NCC5=NC=CN=C5)=O"	"ZPGWKJMBBGLGBN-UHFFFAOYSA-N"	"InChI=1S/C31H33N5O2/c1-22(28-11-5-8-24-7-2-3-10-29(24)28)36-16-12-25(13-17-36)30(37)34-19-23-6-4-9-26(18-23)31(38)35-21-27-20-32-14-15-33-27/h2-11,14-15,18,20,22,25H,12-13,16-17,19,21H2,1H3,(H,34,37)(H,35,38)"	""	""	""
"3130"	"compound 12 [Wattanasin <i>et al.,</i>1997]"	""	"Synthetic organic"	""	""	""	""	"135649683"	"56947012"	""	""	"CHEMBL1205490"	""	""	""	""	"2-({[(3-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)methyl]carbamoyl}(hydroxy)amino)-2-methylpropanoate"	""	""	"C/C(=C\COc1cccc(c1)CNC(=O)N(C(C(=O)[O-])(C)C)O)/CCC=C(C)C"	"NOJVBPONEXVKGV-SFQUDFHCSA-M"	"InChI=1S/C22H32N2O5/c1-16(2)8-6-9-17(3)12-13-29-19-11-7-10-18(14-19)15-23-21(27)24(28)22(4,5)20(25)26/h7-8,10-12,14,28H,6,9,13,15H2,1-5H3,(H,23,27)(H,25,26)/p-1/b17-12+"	""	""	""
"14689"	"compound 12 [Zhu <i>et al</i>., 2026]"	""	"Synthetic organic"	""	""	""	""	"530846937"	"179075716"	""	""	""	""	""	""	""	""	""	""	"C(C)(C)C=1N=C(SC1)NC([C@H](CCCC)NC(=O)C=2NC3=CC=CC(=C3C2)OC)=O"	"UNQTXRAWHRUBPT-INIZCTEOSA-N"	"InChI=1S/C22H28N4O3S/c1-5-6-8-16(20(27)26-22-25-18(12-30-22)13(2)3)24-21(28)17-11-14-15(23-17)9-7-10-19(14)29-4/h7,9-13,16,23H,5-6,8H2,1-4H3,(H,24,28)(H,25,26,27)/t16-/m0/s1"	""	""	""
"10294"	"compound 130 [PMID: 29157600]"	""	"Synthetic organic"	""	""	""	""	"381744975"	"41023370"	""	""	""	""	""	""	""	"(2S)-2-{[5-(4-fluorophenyl)furan-2-yl]formamido}butanedioic acid"	""	"(5-(4-Fluorophenyl)furan-2-carbonyl)-L-aspartic acid"	"O=C(c1ccc(o1)c1ccc(cc1)F)N[C@H](C(=O)O)CC(=O)O"	"DXDJHKUZMNAXTM-JTQLQIEISA-N"	"InChI=1S/C15H12FNO6/c16-9-3-1-8(2-4-9)11-5-6-12(23-11)14(20)17-10(15(21)22)7-13(18)19/h1-6,10H,7H2,(H,17,20)(H,18,19)(H,21,22)/t10-/m0/s1"	""	""	""
"11565"	"compound 13ac [PMID: 33256400]"	""	"Synthetic organic"	""	""	""	""	"441604937"	"155925850"	""	""	""	""	""	""	""	"(2E)-4-(dimethylamino)-1-[6-({5-methyl-4-[1-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl}amino)-1,2,3,4-tetrahydroisoquinolin-2-yl]but-2-en-1-one"	""	""	"CN(C/C=C/C(=O)N1CCc2c(C1)ccc(c2)Nc1ncc(c(n1)c1cnn(c1)C(C)C)C)C"	"SURRDPSGERGIIM-VOTSOKGWSA-N"	"InChI=1S/C26H33N7O/c1-18(2)33-17-22(15-28-33)25-19(3)14-27-26(30-25)29-23-9-8-21-16-32(12-10-20(21)13-23)24(34)7-6-11-31(4)5/h6-9,13-15,17-18H,10-12,16H2,1-5H3,(H,27,29,30)/b7-6+"	""	""	""
"8155"	"compound 13a [PMID: 23639540]"	""	"Synthetic organic"	""	""	""	""	"249565835"	"60182393"	""	""	"CHEMBL2385579"	""	""	""	""	"4-[4-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]morpholine"	""	""	"O1CCN(CC1)c1ccc(cc1)c1cnc2n(c1)ncc2c1cn[nH]c1"	"WCDLCPLAAKUJNY-UHFFFAOYSA-N"	"InChI=1S/C19H18N6O/c1-3-17(24-5-7-26-8-6-24)4-2-14(1)16-9-20-19-18(12-23-25(19)13-16)15-10-21-22-11-15/h1-4,9-13H,5-8H2,(H,21,22)"	""	""	""
"2988"	"compound 13b [PMID: 18412317]"	""	"Synthetic organic"	""	""	""	""	"135649764"	"56947036"	""	""	"CHEMBL466929"	""	""	""	""	"(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[methyl(1-methyl-1H-1,2,3,4-tetrazol-5-yl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate"	""	""	"O[C@@H](C[C@H](CC(=O)[O-])O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(c1nnnn1C)C)C(C)C"	"KOTLFRFIWUOROR-VEUZHWNKSA-M"	"InChI=1S/C23H28FN7O4/c1-13(2)20-18(10-9-16(32)11-17(33)12-19(34)35)21(14-5-7-15(24)8-6-14)26-22(25-20)30(3)23-27-28-29-31(23)4/h5-10,13,16-17,32-33H,11-12H2,1-4H3,(H,34,35)/p-1/b10-9+/t16-,17-/m1/s1"	""	""	""
"8808"	"compound 13b [PMID: 19101153]"	""	"Synthetic organic"	""	""	""	""	"252827466"	"42609940"	""	""	"CHEMBL473744"	""	""	""	""	"(3S,4R)-4-(6-chloro-3-oxo-1,2-benzoxazol-2-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile"	""	""	"N#Cc1ccc2c(c1)[C@@H](n1oc3c(c1=O)ccc(c3)Cl)[C@@H](C(O2)(C)C)O"	"LSWVRWFSRJQEKB-SJORKVTESA-N"	"InChI=1S/C19H15ClN2O4/c1-19(2)17(23)16(13-7-10(9-21)3-6-14(13)25-19)22-18(24)12-5-4-11(20)8-15(12)26-22/h3-8,16-17,23H,1-2H3/t16-,17+/m1/s1"	""	""	""
"3005"	"compound 13b [PMID: 2153213]"	""	"Synthetic organic"	""	""	""	""	"135649750"	"56947025"	""	""	"CHEMBL162125"	""	""	""	""	"(3R,5R)-7-[4-(4-fluorophenyl)-1-phenyl-2-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate"	""	""	"O[C@@H](C[C@H](CC(=O)[O-])O)CCc1c(cn(c1C(C)C)c1ccccc1)c1ccc(cc1)F"	"UBFHWBHHCSSZAB-FGZHOGPDSA-M"	"InChI=1S/C26H30FNO4/c1-17(2)26-23(13-12-21(29)14-22(30)15-25(31)32)24(18-8-10-19(27)11-9-18)16-28(26)20-6-4-3-5-7-20/h3-11,16-17,21-22,29-30H,12-15H2,1-2H3,(H,31,32)/p-1/t21-,22-/m1/s1"	""	""	""
"10720"	"compound 13b [PMID: 32198291]"	""	"Synthetic organic"	""	""	""	""	"405067314"	"146018708"	""	""	""	""	""	""	""	"Tert-butyl  (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-butan-2-yl)ami-no)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate"	""	""	"O=C(OC(C)(C)C)Nc1cccn(c1=O)[C@H](C(=O)N[C@H]([C@H](C(=O)NCc1ccccc1)O)C[C@@H]1CCNC1=O)CC1CC1"	"FRACPXUHUTXLCX-BELIEFIBSA-N"	"InChI=1S/C31H41N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-25,37H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24-,25+/m0/s1"	""	""	""
"11077"	"compound 13B [PMID: 32506913]"	""	"Synthetic organic"	""	""	""	""	"434122138"	"154665740"	""	""	""	""	""	""	""	"N-(trans-4-Hydroxycyclohexyl)-6-phenylhexanamide"	""	""	"O[C@@H]1CC[C@H](CC1)NC(=O)CCCCCc1ccccc1"	"SUKXKLNDBLNTSW-QAQDUYKDSA-N"	"InChI=1S/C18H27NO2/c20-17-13-11-16(12-14-17)19-18(21)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,20H,2,5-6,9-14H2,(H,19,21)/t16-,17-"	""	""	""
"9205"	"compound 13 [Chen <i>et al.</i>, 2016]"	""	"Synthetic organic"	""	""	""	""	"315661281"	"121231410"	""	""	""	""	""	""	""	""	""	""	"CNc1ccnc(n1)Nc1ccc2c(c1)n(c(c2)C)c1ccccc1Oc1cnc2c(c1)ncn2C"	"RQVLGMREYUFLPQ-UHFFFAOYSA-N"	"InChI=1S/C27H24N8O/c1-17-12-18-8-9-19(32-27-29-11-10-25(28-2)33-27)13-23(18)35(17)22-6-4-5-7-24(22)36-20-14-21-26(30-15-20)34(3)16-31-21/h4-16H,1-3H3,(H2,28,29,32,33)"	""	""	""
"9681"	"compound 13c [PMID: 20684591]"	""	"Synthetic organic"	""	""	""	""	"348353640"	"25020250"	""	""	"CHEMBL1214998"	""	""	""	""	"N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine"	""	""	"C1CCC(CC1)Nc1nccc(c1)c1cc2cnccc2c(n1)N1CCNCC1"	"DIZACSOTRSXCHC-UHFFFAOYSA-N"	"InChI=1S/C23H28N6/c1-2-4-19(5-3-1)27-22-15-17(6-9-26-22)21-14-18-16-25-8-7-20(18)23(28-21)29-12-10-24-11-13-29/h6-9,14-16,19,24H,1-5,10-13H2,(H,26,27)"	""	""	""
"13014"	"compound 13c [PMID: 30457869]"	""	"Synthetic organic"	""	""	""	""	"485206135"	"169422753"	""	""	""	""	""	""	""	"5-(2-(4-(4-Aminophenyl)-1H-1,2,3-triazol-1-yl)) acetamido-2,3,5-trideoxy-d-glycero-d-galacto-2-nonulopyranosonic Acid"	""	""	"OC(C(O)CO)C1[C@H](NC(CN2C=C(C3=CC=C(N)C=C3)N=N2)=O)[C@@H](O)C=C(C(O)=O)O1"	"UJCGSVDVRDOQKA-FXJFUIJASA-N"	"InChI=1S/C19H23N5O8/c20-10-3-1-9(2-4-10)11-6-24(23-22-11)7-15(28)21-16-12(26)5-14(19(30)31)32-18(16)17(29)13(27)8-25/h1-6,12-13,16-18,25-27,29H,7-8,20H2,(H,21,28)(H,30,31)/t12-,13?,16+,17?,18?/m0/s1"	""	""	""
"8120"	"compound 13d [PMID: 23639540]"	""	"Synthetic organic"	""	""	""	""	"249565800"	"60182389"	""	""	"CHEMBL2385582"	""	""	""	""	"4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine"	""	""	"O1CCN(CC1)c1ccc(cc1)c1cnc2n(c1)ncc2c1ccnc2c1cccc2"	"SZVLDZCYMADNPG-UHFFFAOYSA-N"	"InChI=1S/C25H21N5O/c1-2-4-24-22(3-1)21(9-10-26-24)23-16-28-30-17-19(15-27-25(23)30)18-5-7-20(8-6-18)29-11-13-31-14-12-29/h1-10,15-17H,11-14H2"	""	""	""
"8786"	"compound 13e [PMID: 16759857]"	""	"Synthetic organic"	""	""	""	""	"252827444"	"16043227"	""	""	"CHEMBL1185062"	""	""	""	""	"[4-[2,2-bis(3-methyl-1,2,4-oxadiazol-5-yl)-5-phenylpentyl]phenyl]sulfamic acid"	""	""	"Cc1noc(n1)C(c1onc(n1)C)(Cc1ccc(cc1)NS(=O)(=O)O)CCCc1ccccc1"	"MKLXYDUSWQDVEW-UHFFFAOYSA-N"	"InChI=1S/C23H25N5O5S/c1-16-24-21(32-26-16)23(22-25-17(2)27-33-22,14-6-9-18-7-4-3-5-8-18)15-19-10-12-20(13-11-19)28-34(29,30)31/h3-5,7-8,10-13,28H,6,9,14-15H2,1-2H3,(H,29,30,31)"	""	""	""
"10581"	"compound 13e [PMID: 31811124]"	""	"Synthetic organic"	""	""	""	""	"404859028"	"145996520"	""	""	""	""	""	""	""	"4-(5-carboxy-2-oxopentyl)-8-(2-oxo-2-{4-[(5-phenylpentyl)oxy]phenyl}ethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid"	""	""	"O=C(CN1CC(Oc2c1cccc2CC(=O)c1ccc(cc1)OCCCCCc1ccccc1)C(=O)O)CCCC(=O)O"	"MUBSBSWICVQHHN-UHFFFAOYSA-N"	"InChI=1S/C34H37NO8/c36-27(13-8-15-32(38)39)22-35-23-31(34(40)41)43-33-26(12-7-14-29(33)35)21-30(37)25-16-18-28(19-17-25)42-20-6-2-5-11-24-9-3-1-4-10-24/h1,3-4,7,9-10,12,14,16-19,31H,2,5-6,8,11,13,15,20-23H2,(H,38,39)(H,40,41)"	""	""	""
"3002"	"compound 13g [PMID: 2153213]"	""	"Synthetic organic"	""	""	""	""	"135649753"	"56947028"	""	""	"CHEMBL436037"	""	""	""	""	"(3R,5R)-7-[4-(4-fluorophenyl)-5-methyl-1-phenyl-2-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate"	""	""	"O[C@@H](C[C@H](CC(=O)[O-])O)CCc1c(C(C)C)n(c(c1c1ccc(cc1)F)C)c1ccccc1"	"JHURQXGATCGLIV-DHIUTWEWSA-M"	"InChI=1S/C27H32FNO4/c1-17(2)27-24(14-13-22(30)15-23(31)16-25(32)33)26(19-9-11-20(28)12-10-19)18(3)29(27)21-7-5-4-6-8-21/h4-12,17,22-23,30-31H,13-16H2,1-3H3,(H,32,33)/p-1/t22-,23-/m1/s1"	""	""	""
"7579"	"compound 13k [PMID: 22390415]"	""	"Synthetic organic"	""	""	""	""	"223365914"	"54674305"	""	""	"CHEMBL2048241"	""	""	""	""	"[phosphono-[[4-(4-propan-2-yloxyphenyl)pyridin-2-yl]amino]methyl]phosphonic acid"	""	""	"CC(Oc1ccc(cc1)c1ccnc(c1)NC(P(=O)(O)O)P(=O)(O)O)C"	"DTXBFSJBRGLOHO-UHFFFAOYSA-N"	"InChI=1S/C15H20N2O7P2/c1-10(2)24-13-5-3-11(4-6-13)12-7-8-16-14(9-12)17-15(25(18,19)20)26(21,22)23/h3-10,15H,1-2H3,(H,16,17)(H2,18,19,20)(H2,21,22,23)"	""	""	""
"6447"	"compound 13 [PMID: 15686941]"	""	"Synthetic organic"	""	""	""	""	"178103063"	"11206949"	""	""	"CHEMBL183081"	""	""	""	""	"3-amino-6-methyl-N-pyridin-2-ylpyrazine-2-carboxamide"	""	""	"Cc1cnc(c(n1)C(=O)Nc1ccccn1)N"	"NAQODRYELYCKDS-UHFFFAOYSA-N"	"InChI=1S/C11H11N5O/c1-7-6-14-10(12)9(15-7)11(17)16-8-4-2-3-5-13-8/h2-6H,1H3,(H2,12,14)(H,13,16,17)"	""	""	""
"8188"	"compound 13 [PMID: 15925511]"	""	"Synthetic organic"	""	""	""	""	"249565868"	"11668217"	""	""	"CHEMBL426445"	""	""	""	""	"2,3-di(thiophen-2-yl)benzo[g]quinoxaline-8-carboxylic acid"	""	""	"OC(=O)c1ccc2c(c1)cc1c(c2)nc(c(n1)c1cccs1)c1cccs1"	"GXGUVSXXUOACEX-UHFFFAOYSA-N"	"InChI=1S/C21H12N2O2S2/c24-21(25)13-6-5-12-10-15-16(11-14(12)9-13)23-20(18-4-2-8-27-18)19(22-15)17-3-1-7-26-17/h1-11H,(H,24,25)"	""	""	""
"8797"	"compound 13 [PMID: 17502136]"	""	"Synthetic organic"	""	""	""	""	"252827455"	"69586250"	""	""	"CHEMBL1908862"	""	""	""	""	"2,3-bis[(2,4-dichlorophenyl)methoxy]benzoic acid"	""	""	"Clc1ccc(c(c1)Cl)COc1c(cccc1C(=O)O)OCc1ccc(cc1Cl)Cl"	"RZFRHJXGOFXNIG-UHFFFAOYSA-N"	"InChI=1S/C21H14Cl4O4/c22-14-6-4-12(17(24)8-14)10-28-19-3-1-2-16(21(26)27)20(19)29-11-13-5-7-15(23)9-18(13)25/h1-9H,10-11H2,(H,26,27)"	""	""	""
"3127"	"compound 13 [PMID: 19456099]"	""	"Synthetic organic"	""	""	""	""	"135649668"	"44185378"	""	""	"CHEMBL1207858"	""	""	""	""	"[2-methyl-1-oxo-1-[3-(3-phenoxyphenyl)propylamino]propan-2-yl]phosphonic acid"	""	"compound 1d [PMID: 19456099]"	"O=C(C(P(=O)(O)O)(C)C)NCCCc1cccc(c1)Oc1ccccc1"	"AGJZDRXKAQZWEP-UHFFFAOYSA-N"	"InChI=1S/C19H24NO5P/c1-19(2,26(22,23)24)18(21)20-13-7-9-15-8-6-12-17(14-15)25-16-10-4-3-5-11-16/h3-6,8,10-12,14H,7,9,13H2,1-2H3,(H,20,21)(H2,22,23,24)"	""	""	""
"2983"	"compound 13 [PMID: 1992149]"	""	"Synthetic organic"	""	""	""	""	"135649773"	"56947043"	""	""	""	""	""	""	""	"(3R,6E)-7-[6-chloro-4-(4-fluorophenyl)-2-(propan-2-yl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate"	""	""	"O[C@H](CC(/C=C/c1c(nc2c(c1c1ccc(cc1)F)cc(cc2)Cl)C(C)C)O)CC(=O)[O-]"	"FMCKOMPEFSASBD-FLRXWSLESA-M"	"InChI=1S/C25H25ClFNO4/c1-14(2)25-20(9-8-18(29)12-19(30)13-23(31)32)24(15-3-6-17(27)7-4-15)21-11-16(26)5-10-22(21)28-25/h3-11,14,18-19,29-30H,12-13H2,1-2H3,(H,31,32)/p-1/b9-8+/t18?,19-/m1/s1"	""	""	""
"8888"	"compound 13 [PMID: 23098072]"	""	"Synthetic organic"	""	""	""	""	"310264669"	"71462638"	""	""	"CHEMBL2179401"	""	""	""	""	"1-[6-[2-[3-[3-[3-[2-[2-[3-[[2-[2-[[(2R)-1-[[2-[[(2R)-1-[3-[2-[2-[3-[[2-(2-amino-2-oxoethoxy)acetyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanyl-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-6-oxohexyl]-2-[(1E,3E,5Z)-5-(1-ethyl-5-sulfonato-3H-indol-2-ylidene)penta-1,3-dienyl]-3H-indol-1-ium-5-sulfonate"	""	""	"CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CSC[C@@H](C(=O)NCC(=O)N[C@@H](C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N)CO)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CCSC1CC(=O)N(C1=O)CCNC(=O)CCCCC[N+]1=C(/C=C/C=C/C=C\2/Cc3c(N2CC)ccc(c3)S(=O)(=O)[O-])Cc2c1ccc(c2)S(=O)(=O)[O-]"	"UNILWMWFPHPYOR-KXEYIPSPSA-M"	"InChI=1S/C109H176N12O30S4/c1-4-7-9-11-13-15-17-19-21-23-25-27-34-44-105(131)150-78-89(151-106(132)45-35-28-26-24-22-20-18-16-14-12-10-8-5-2)83-152-84-93(108(134)116-76-100(126)117-92(77-122)107(133)115-54-40-61-145-65-69-147-68-64-143-59-38-52-112-101(127)80-148-79-97(110)123)118-103(129)82-149-81-102(128)113-53-39-60-144-63-67-146-66-62-142-58-37-51-111-99(125)50-70-153-96-75-104(130)121(109(96)135)57-55-114-98(124)43-33-30-36-56-120-88(72-86-74-91(155(139,140)141)47-49-95(86)120)42-32-29-31-41-87-71-85-73-90(154(136,137)138)46-48-94(85)119(87)6-3/h29,31-32,41-42,46-49,73-74,89,92-93,96,122H,4-28,30,33-40,43-45,50-72,75-84H2,1-3H3,(H11-,110,111,112,113,114,115,116,117,118,123,124,125,126,127,128,129,133,134,136,137,138,139,140,141)/p-1/t89-,92-,93+,96?/m1/s1"	""	""	""
"8399"	"compound 13 [PMID: 23412139]"	""	"Synthetic organic"	""	""	""	""	"252166609"	"23627211"	""	""	"CHEMBL2151141"	""	""	""	""	"(6S)-2-amino-3,6-dimethyl-6-[4-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-5H-pyrimidin-4-one"	""	""	"CC#Cc1cncc(c1)c1csc(c1)[C@]1(C)CC(=O)N(C(=N1)N)C"	"IKFZEHQGULJMKI-SFHVURJKSA-N"	"InChI=1S/C18H18N4OS/c1-4-5-12-6-13(10-20-9-12)14-7-15(24-11-14)18(2)8-16(23)22(3)17(19)21-18/h6-7,9-11H,8H2,1-3H3,(H2,19,21)/t18-/m0/s1"	""	""	""
"12839"	"compound 13 [PMID: 33984473]"	""	"Synthetic organic"	""	""	""	""	"483123387"	"4051932"	""	""	""	""	""	""	""	"N'-[(2-hydroxyphenyl)methylideneamino]-4-[[[4-[N'-[(2-hydroxyphenyl)methylideneamino]carbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]methylamino]-1,2,5-oxadiazole-3-carboximidamide"	""	""	"OC1=CC=CC=C1C=NNC(=N)C2=NON=C2NCNC3=NON=C3C(=N)NN=CC4=CC=CC=C4O"	"NDDNJOIBDROFPF-UHFFFAOYSA-N"	"InChI=1S/C21H20N12O4/c22-18(28-26-9-12-5-1-3-7-14(12)34)16-20(32-36-30-16)24-11-25-21-17(31-37-33-21)19(23)29-27-10-13-6-2-4-8-15(13)35/h1-10,34-35H,11H2,(H2,22,28)(H2,23,29)(H,24,32)(H,25,33)"	""	""	""
"11895"	"compound 13 [PMID: 34333981]"	""	"Synthetic organic"	""	""	""	""	"461663450"	"145900913"	""	""	""	""	""	""	""	"N-[3-[[5-bromo-4-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide"	""	""	"NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2Br)cc1"	"OEZHSZIDGUKBRK-UHFFFAOYSA-N"	"InChI=1S/C22H24BrN7O3S/c23-19-14-26-21(29-20(19)25-13-15-6-8-18(9-7-15)34(24,32)33)27-16-4-3-5-17(12-16)28-22(31)30-10-1-2-11-30/h3-9,12,14H,1-2,10-11,13H2,(H,28,31)(H2,24,32,33)(H2,25,26,27,29)"	""	""	""
"12048"	"compound 13 [PMID: 35653642]"	""	"Synthetic organic"	""	""	""	""	"472319171"	"165368927"	""	""	""	""	""	""	""	"4′-(5-Amino-3-((4-(methylcarbamoyl)phenyl)amino)-1H-1,2,4-triazole-1-carboxamido)-4-(benzyloxy)-[1,1′-biphenyl]-3-carboxylic acid"	""	""	"Nc1nc(Nc2ccc(C(=O)NC)cc2)nn1C(=O)Nc1ccc(c2cc(C(=O)O)c(OCc3ccccc3)cc2)cc1"	"SBHYXGMXVZWIKR-UHFFFAOYSA-N"	"InChI=1S/C31H27N7O5/c1-33-27(39)21-9-14-23(15-10-21)34-30-36-29(32)38(37-30)31(42)35-24-12-7-20(8-13-24)22-11-16-26(25(17-22)28(40)41)43-18-19-5-3-2-4-6-19/h2-17H,18H2,1H3,(H,33,39)(H,35,42)(H,40,41)(H3,32,34,36,37)"	""	""	""
"12815"	"compound 13 [PMID: 37465299]"	""	"Synthetic organic"	""	""	""	""	"483123363"	"168069227"	""	""	""	""	""	""	""	"1-(4-{4-[(2-aminoethyl)amino]-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl}piperazin-1-yl)ethan-1-one"	""	""	"CC(=O)N1CCN(CC1)C2=CC=C3C(NCCN)=NC(=NC3=C2)C4(CCCCC4)C5=CC=C(Cl)C=C5"	"GGEKTDCCHNVLNE-UHFFFAOYSA-N"	"InChI=1S/C28H35ClN6O/c1-20(36)34-15-17-35(18-16-34)23-9-10-24-25(19-23)32-27(33-26(24)31-14-13-30)28(11-3-2-4-12-28)21-5-7-22(29)8-6-21/h5-10,19H,2-4,11-18,30H2,1H3,(H,31,32,33)"	""	""	""
"8144"	"compound 13r [PMID: 23639540]"	""	"Synthetic organic"	""	""	""	""	"249565824"	"60182364"	""	""	"CHEMBL2385596"	""	""	""	""	"4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline"	""	""	"CN1CCN(CC1)c1ccc(cc1)c1cnc2n(c1)ncc2c1ccnc2c1cccc2"	"XBGWAKUQSRNWMA-UHFFFAOYSA-N"	"InChI=1S/C26H24N6/c1-30-12-14-31(15-13-30)21-8-6-19(7-9-21)20-16-28-26-24(17-29-32(26)18-20)22-10-11-27-25-5-3-2-4-23(22)25/h2-11,16-18H,12-15H2,1H3"	""	""	""
"6254"	"compound 14a [PMID: 18812259]"	""	"Synthetic organic"	""	""	""	""	"178102874"	"73755200"	""	""	""	""	""	""	""	"2-{[(1R,5S,6S)-6-{[(5-chloropyridin-2-yl)methoxy]methyl}-3-azabicyclo[3.1.0]hexan-3-yl]methyl}-1-methyl-1H-1,3-benzodiazole"	""	""	"Clc1ccc(nc1)COC[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1nc2c(n1C)cccc2"	"XOVYESUODKGPJX-PIIMJCKOSA-N"	"InChI=1S/C21H23ClN4O/c1-25-20-5-3-2-4-19(20)24-21(25)11-26-9-16-17(10-26)18(16)13-27-12-15-7-6-14(22)8-23-15/h2-8,16-18H,9-13H2,1H3/t16-,17+,18+"	""	""	""
"11837"	"compound 14a [PMID: 34795866]"	""	"Synthetic organic"	""	""	""	""	"461663393"	"162679533"	""	""	""	""	""	""	""	"(R)-2-butyl-5-(3-(5-chloropyridin-2-yl)pyrrolidine-1-carbonyl)-1-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4(1H)-one"	""	""	"C(CCC)c1n(c(c(c(=O)n1)C(=O)N1C[C@@H](CC1)c1ncc(cc1)Cl)O)c1c(cccc1OC)OC"	"KSQCOKRJNWPXJJ-MRXNPFEDSA-N"	"InChI=1S/C26H29ClN4O5/c1-4-5-9-21-29-24(32)22(26(34)31(21)23-19(35-2)7-6-8-20(23)36-3)25(33)30-13-12-16(15-30)18-11-10-17(27)14-28-18/h6-8,10-11,14,16,34H,4-5,9,12-13,15H2,1-3H3/t16-/m1/s1"	""	""	""
"11958"	"compound 14a [WO2021155612A1]"	""	"Synthetic organic"	""	""	""	""	"461663513"	"162679555"	""	""	""	""	""	""	""	"3-[(1R)-1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methylbutyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]benzamide"	""	""	"[C@H](CC(C)C)(N1C(=O)CC(CC)(CC)N=C1N)c1cc(C(=O)N[C@@H]2c3c(OCC2)cccc3)ccc1"	"PDKYBFRBTVUAEM-BJKOFHAPSA-N"	"InChI=1S/C29H38N4O3/c1-5-29(6-2)18-26(34)33(28(30)32-29)24(16-19(3)4)20-10-9-11-21(17-20)27(35)31-23-14-15-36-25-13-8-7-12-22(23)25/h7-13,17,19,23-24H,5-6,14-16,18H2,1-4H3,(H2,30,32)(H,31,35)/t23-,24+/m0/s1"	""	"yes"	""
"8684"	"compound 14b [PMID: 25742366]"	""	"Synthetic organic"	""	""	""	""	"252166884"	"91827386"	""	""	""	""	""	""	""	"4-{3-[(1-amino-2-chloroethyl)amino]propyl}-1-{[3-(2-chlorophenyl)phenyl]methyl}-5-hydroxyimidazolidin-2-one"	""	""	"ClCC(NCCCC1NC(=O)N(C1O)Cc1cccc(c1)c1ccccc1Cl)N"	"TXEBWPPWSVMYOA-UHFFFAOYSA-N"	"InChI=1S/C21H26Cl2N4O2/c22-12-19(24)25-10-4-9-18-20(28)27(21(29)26-18)13-14-5-3-6-15(11-14)16-7-1-2-8-17(16)23/h1-3,5-8,11,18-20,25,28H,4,9-10,12-13,24H2,(H,26,29)"	""	""	""
"6255"	"compound 14c [PMID: 18812259]"	""	"Synthetic organic"	""	""	""	""	"178102875"	"73755201"	""	""	""	""	""	""	""	"1-methyl-2-{[(1R,5S,6S)-6-({[5-(trifluoromethyl)pyridin-2-yl]methoxy}methyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl}-1H-1,3-benzodiazole"	""	""	"Cn1c(CN2C[C@@H]3[C@H](C2)[C@H]3COCc2ccc(cn2)C(F)(F)F)nc2c1cccc2"	"YKYWUHHZZRBGMG-PIIMJCKOSA-N"	"InChI=1S/C22H23F3N4O/c1-28-20-5-3-2-4-19(20)27-21(28)11-29-9-16-17(10-29)18(16)13-30-12-15-7-6-14(8-26-15)22(23,24)25/h2-8,16-18H,9-13H2,1H3/t16-,17+,18+"	""	""	""
"11936"	"compound 14f [PMID: 35063894]"	""	"Synthetic organic"	""	""	""	""	"461663491"	"162679547"	""	""	""	""	""	""	""	"N-(cyclopropanesulfonyl)-5-cyclopropyl-2-[(cyclopropylmethyl)[(1R)-1-[5'-methyl-2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl]ethyl]amino]-1,3-thiazole-4-carboxamide"	""	""	"C[C@@H](N(CC1CC1)c1nc(C(=O)NS(=O)(=O)C2CC2)c(s1)C1CC1)c1ccc(cc1)c1cc(C)ccc1c1nc(=O)o[nH]1"	"FQGLCYYIHLNVRG-GOSISDBHSA-N"	"InChI=1S/C31H33N5O5S2/c1-17-3-14-24(28-33-31(38)41-34-28)25(15-17)21-8-6-20(7-9-21)18(2)36(16-19-4-5-19)30-32-26(27(42-30)22-10-11-22)29(37)35-43(39,40)23-12-13-23/h3,6-9,14-15,18-19,22-23H,4-5,10-13,16H2,1-2H3,(H,35,37)(H,33,34,38)/t18-/m1/s1"	"yes"	""	""
"12746"	"compound 14i [PMID: 37204466]"	""	"Synthetic organic"	""	""	""	""	"483123294"	"162718203"	""	""	""	""	""	""	""	"2-chloro-N-[1-(5,6-diphenylpyrazin-2-yl)piperidin-4-yl]acetamide"	""	""	"O=C(CCl)NC1CCN(CC1)C2=NC(C3=CC=CC=C3)=C(C4=CC=CC=C4)N=C2"	"MKWLNXUIWPRODH-UHFFFAOYSA-N"	"InChI=1S/C23H23ClN4O/c24-15-21(29)26-19-11-13-28(14-12-19)20-16-25-22(17-7-3-1-4-8-17)23(27-20)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2,(H,26,29)"	""	""	""
"9147"	"compound 14j [PMID: 27050842]"	""	"Synthetic organic"	""	""	""	""	"315661232"	"119081688"	""	""	""	""	""	""	""	"4-methyl-6-(2-{5-[3-(methylamino)propyl]pyridin-3-yl}ethyl)pyridin-2-amine"	""	""	"CNCCCc1cncc(c1)CCc1cc(C)cc(n1)N"	"YUXWMCKGSHXUGW-UHFFFAOYSA-N"	"InChI=1S/C17H24N4/c1-13-8-16(21-17(18)9-13)6-5-15-10-14(11-20-12-15)4-3-7-19-2/h8-12,19H,3-7H2,1-2H3,(H2,18,21)"	""	""	""
"8214"	"compound 14k [PMID: 21982499]"	""	"Synthetic organic"	""	""	""	""	"249565894"	"44222958"	""	""	"CHEMBL1915438"	""	""	""	""	"N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine"	""	""	"Clc1ccccc1Nc1nc2c(cccc2c2c1ccnc2)c1[nH]cnn1"	"WNOHFJIMKSDPHP-UHFFFAOYSA-N"	"InChI=1S/C20H13ClN6/c21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27)"	""	""	""
"9423"	"compound 14n [PMID: 25589934]"	""	"Synthetic organic"	""	""	""	""	"328083523"	"71506845"	""	""	"CHEMBL3092468"	""	""	""	""	"N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide"	""	"Sanofi-14n"	"Clc1ccc(c(c1)S(=O)(=O)Nc1ccc(cc1)c1cnc2c(n1)n[nH]c2N)F"	"DDKHTWASHUKHLD-UHFFFAOYSA-N"	"InChI=1S/C17H12ClFN6O2S/c18-10-3-6-12(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)13-8-21-15-16(20)23-24-17(15)22-13/h1-8,25H,(H3,20,22,23,24)"	""	""	""
"3194"	"compound 14 [PMID: 18800762]"	""	"Synthetic organic"	""	""	""	""	"135649714"	"25023861"	""	""	"CHEMBL494694"	""	""	""	""	"3-(decyloxy)-5-(2-hydrogen phosphonato-2-phosphonoethyl)-1-methylpyridin-1-ium"	""	"bisphosphonate, 14"	"CCCCCCCCCCOc1cc(c[n+](c1)C)CC(P(=O)(O)O)P(=O)(O)[O-]"	"PUCSJEGLZHMUSS-UHFFFAOYSA-N"	"InChI=1S/C18H33NO7P2/c1-3-4-5-6-7-8-9-10-11-26-17-12-16(14-19(2)15-17)13-18(27(20,21)22)28(23,24)25/h12,14-15,18H,3-11,13H2,1-2H3,(H3-,20,21,22,23,24,25)"	""	""	""
"3125"	"compound 14 [PMID: 19191557]"	""	"Synthetic organic"	""	""	""	""	"135649688"	"56947013"	""	""	"CHEMBL1207945"	""	""	""	""	"2-(3-phenoxyphenyl)-1-phosphonatoethane-1-sulfonate"	""	""	"[O-]P(=O)(C(S(=O)(=O)[O-])Cc1cccc(c1)Oc1ccccc1)[O-]"	"QZTDQEVQGQAOKB-UHFFFAOYSA-K"	"InChI=1S/C14H15O7PS/c15-22(16,17)14(23(18,19)20)10-11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h1-9,14H,10H2,(H2,15,16,17)(H,18,19,20)/p-3"	""	""	""
"8151"	"compound 14 [PMID: 19831390]"	""	"Synthetic organic"	""	""	""	""	"249565831"	"44477445"	""	""	"CHEMBL570126"	""	""	""	""	"(E,2S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-{5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboximidamide"	""	""	"N#CNC(=Nc1cccc(c1)Br)N1CCN(C[C@@H]1C)c1ncnc2c1c(C)c[nH]2"	"KSECQYDNQYAZMQ-AWEZNQCLSA-N"	"InChI=1S/C20H21BrN8/c1-13-9-23-18-17(13)19(26-12-25-18)28-6-7-29(14(2)10-28)20(24-11-22)27-16-5-3-4-15(21)8-16/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,24,27)(H,23,25,26)/t14-/m0/s1"	""	""	""
"6323"	"compound 14 [PMID: 21155570]"	""	"Synthetic organic"	""	""	""	""	"178102941"	"46182736"	""	""	"CHEMBL1651219"	""	""	""	""	"2-chloro-5-(3-{[(2-cyclopentyl-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)oxy]methyl}phenyl)benzoic acid"	""	""	"OC(=O)c1cc(ccc1Cl)c1cccc(c1)COc1ccc2c(c1)sn(c2=O)C1CCCC1"	"ZQBPXBADOJMCRU-UHFFFAOYSA-N"	"InChI=1S/C26H22ClNO4S/c27-23-11-8-18(13-22(23)26(30)31)17-5-3-4-16(12-17)15-32-20-9-10-21-24(14-20)33-28(25(21)29)19-6-1-2-7-19/h3-5,8-14,19H,1-2,6-7,15H2,(H,30,31)"	""	""	""
"8557"	"compound 14 [PMID: 23634668]"	""	"Synthetic organic"	""	""	""	""	"252166758"	"71663862"	""	""	""	""	""	""	""	"N-[(2S)-1-oxo-3-phenyl-1-[4-(2-pyridin-2-ylquinazolin-4-yl)piperazin-1-yl]propan-2-yl]acetamide"	""	""	"CC(=O)N[C@H](C(=O)N1CCN(CC1)c1nc(nc2c1cccc2)c1ccccn1)Cc1ccccc1"	"NHHPRDYQOKYIBK-VWLOTQADSA-N"	"InChI=1S/C28H28N6O2/c1-20(35)30-25(19-21-9-3-2-4-10-21)28(36)34-17-15-33(16-18-34)27-22-11-5-6-12-23(22)31-26(32-27)24-13-7-8-14-29-24/h2-14,25H,15-19H2,1H3,(H,30,35)/t25-/m0/s1"	""	""	""
"8154"	"compound 14 [PMID: 24900428]"	""	"Synthetic organic"	""	""	""	""	"249565834"	"71461150"	""	""	"CHEMBL2203564"	""	""	""	""	"2-[2-(4-fluoro-2-methylphenoxymethyl)-5-methoxypyridin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one"	""	""	"COc1cnc(cc1c1cc2c([nH]1)CCNC2=O)COc1ccc(cc1C)F"	"WYOFSHLAFWJJAZ-UHFFFAOYSA-N"	"InChI=1S/C21H20FN3O3/c1-12-7-13(22)3-4-19(12)28-11-14-8-15(20(27-2)10-24-14)18-9-16-17(25-18)5-6-23-21(16)26/h3-4,7-10,25H,5-6,11H2,1-2H3,(H,23,26)"	""	""	""
"8539"	"compound 14 [PMID: 25050158]"	""	"Synthetic organic"	""	""	""	""	"252166741"	"86279004"	""	""	""	""	""	""	""	"(3E)-4-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-oxobut-3-enoic acid"	""	""	"OC(=O)C(=O)/C=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C"	"XIQDGAUDNMVMCD-BQYQJAHWSA-N"	"InChI=1S/C18H24O4/c1-17(2,3)12-9-11(7-8-14(19)16(21)22)10-13(15(12)20)18(4,5)6/h7-10,20H,1-6H3,(H,21,22)/b8-7+"	""	""	""
"10372"	"compound 14 [PMID: 30925062]"	""	"Synthetic organic"	""	""	""	""	"384403652"	"16618023"	""	""	""	""	""	""	""	"2-[4-(7-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[3,2-e]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide"	""	""	"CC1CCc2c(C1)sc1c2c(nc(n1)c1cccnc1)N1CCN(CC1)C(c1ccccc1)C(=O)N"	"QAWHHEOBNCCSJP-UHFFFAOYSA-N"	"InChI=1S/C28H30N6OS/c1-18-9-10-21-22(16-18)36-28-23(21)27(31-26(32-28)20-8-5-11-30-17-20)34-14-12-33(13-15-34)24(25(29)35)19-6-3-2-4-7-19/h2-8,11,17-18,24H,9-10,12-16H2,1H3,(H2,29,35)"	""	""	""
"12840"	"compound 14 [PMID: 33786375]"	""	"Synthetic organic"	""	""	""	""	"483123388"	"155803730"	""	""	""	""	""	""	""	"5-[5-(3-chloro-5-phenylmethoxyphenyl)-6-oxo-1-pyridin-3-ylpyridin-3-yl]-1H-pyrimidine-2,4-dione"	""	""	"ClC1=CC(OCC2=CC=CC=C2)=CC(=C1)C3=CC(=CN(C3=O)C4=CN=CC=C4)C5=CNC(=O)NC5=O"	"IVPUTCRGJCQUQU-UHFFFAOYSA-N"	"InChI=1S/C27H19ClN4O4/c28-20-9-18(10-22(12-20)36-16-17-5-2-1-3-6-17)23-11-19(24-14-30-27(35)31-25(24)33)15-32(26(23)34)21-7-4-8-29-13-21/h1-15H,16H2,(H2,30,31,33,35)"	""	""	""
"11896"	"compound 14 [PMID: 34333981]"	""	"Synthetic organic"	""	""	""	""	"461663451"	"145900918"	""	""	""	""	""	""	""	"5-cyclopropyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine"	""	""	"C(Cc1c[nH]cn1)Nc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1"	"HZHDCONQUBRRDH-UHFFFAOYSA-N"	"InChI=1S/C23H29N7O/c1-2-17(15-30-8-10-31-11-9-30)12-19(3-1)28-23-26-14-21(18-4-5-18)22(29-23)25-7-6-20-13-24-16-27-20/h1-3,12-14,16,18H,4-11,15H2,(H,24,27)(H2,25,26,28,29)"	""	""	""
"3106"	"compound 14 [PMID: 9871507]"	""	"Synthetic organic"	""	""	""	""	"135649674"	"44382842"	""	""	"CHEMBL170032"	""	""	""	""	"(1S,2S,3S,5R)-1-(carboxymethyl)-3,5-bis({[(4-phenoxyphenyl)methyl](propyl)carbamoyl})cyclopentane-1,2-dicarboxylic acid"	""	""	"CCCN(C(=O)[C@H]1C[C@H]([C@]([C@H]1C(=O)O)(CC(=O)O)C(=O)O)C(=O)N(Cc1ccc(cc1)Oc1ccccc1)CCC)Cc1ccc(cc1)Oc1ccccc1"	"SZUVGFMDDVSKSI-WIFOCOSTSA-N"	"InChI=1S/C43H46N2O10/c1-3-23-44(27-29-15-19-33(20-16-29)54-31-11-7-5-8-12-31)39(48)35-25-36(43(42(52)53,26-37(46)47)38(35)41(50)51)40(49)45(24-4-2)28-30-17-21-34(22-18-30)55-32-13-9-6-10-14-32/h5-22,35-36,38H,3-4,23-28H2,1-2H3,(H,46,47)(H,50,51)(H,52,53)/t35-,36-,38+,43-/m0/s1"	""	""	""
"12351"	"compound 14 [Schnute <i>et al</i>., 2023]"	""	"Synthetic organic"	""	""	""	""	"479821142"	"167993636"	""	""	""	""	""	""	""	""	""	""	"CC(C)C(=O)N1CCN2C[C@@H]1CCCCCS(=O)(=O)Nc1cccc(C2)c1C"	"GMUUZFVHYAPQEI-IBGZPJMESA-N"	"InChI=1S/C21H33N3O3S/c1-16(2)21(25)24-12-11-23-14-18-8-7-10-20(17(18)3)22-28(26,27)13-6-4-5-9-19(24)15-23/h7-8,10,16,19,22H,4-6,9,11-15H2,1-3H3/t19-/m0/s1"	"yes"	""	""
"10557"	"compound 15a"	""	"Synthetic organic"	""	""	""	""	"404859005"	"137501999"	""	""	""	""	""	""	""	"2-[2-(1H-benzimidazol-2-yl)-6-chlorophenyl]-5-[[(1R)-1-phenylbutyl]carbamoyl]benzoic acid"	""	""	"CCC[C@H](c1ccccc1)NC(=O)c1ccc(c(c1)C(=O)O)c1c(Cl)cccc1c1nc2c([nH]1)cccc2"	"KCWRZNXFHSFVKD-RUZDIDTESA-N"	"InChI=1S/C31H26ClN3O3/c1-2-9-25(19-10-4-3-5-11-19)35-30(36)20-16-17-21(23(18-20)31(37)38)28-22(12-8-13-24(28)32)29-33-26-14-6-7-15-27(26)34-29/h3-8,10-18,25H,2,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/s1"	""	""	""
"6724"	"compound 15a [PMID: 16242323]"	""	"Synthetic organic"	""	""	""	""	"178103335"	"45265749"	""	""	"CHEMBL556797"	""	""	""	""	"1-[3-amino-2,6-bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride"	""	""	"CCCCn1c(=O)c(NC(=O)Nc2c(ccc(c2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl"	"HALGUFCFUQNPBN-UHFFFAOYSA-N"	"InChI=1S/C32H39N5O3.ClH/c1-7-8-17-37-30-24(13-10-16-34-30)27(21-11-9-12-22(18-21)40-6)29(31(37)38)36-32(39)35-28-23(19(2)3)14-15-25(33)26(28)20(4)5;/h9-16,18-20H,7-8,17,33H2,1-6H3,(H2,35,36,39);1H"	""	""	""
"7578"	"compound 15a [PMID: 22464687]"	""	"Synthetic organic"	""	""	""	""	"223365913"	"57778011"	""	""	"CHEMBL2057280"	""	""	""	""	"2-[1-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl]piperidin-4-yl]acetic acid"	""	""	"COc1cccc(c1OC)[C@H]1O[C@H](CC(=O)N2CCC(CC2)CC(=O)O)c2n(c3c1cc(Cl)cc3)ccc2"	"MSSQOQPKGAMUSY-LEAFIULHSA-N"	"InChI=1S/C29H31ClN2O6/c1-36-24-7-3-5-20(29(24)37-2)28-21-16-19(30)8-9-22(21)32-12-4-6-23(32)25(38-28)17-26(33)31-13-10-18(11-14-31)15-27(34)35/h3-9,12,16,18,25,28H,10-11,13-15,17H2,1-2H3,(H,34,35)/t25-,28-/m1/s1"	""	""	""
"10702"	"compound 15a [PMID: 32069401]"	""	"Synthetic organic"	""	""	""	""	"404859149"	"145996540"	""	""	""	""	""	""	""	"2,4-Difluoro-N-(2-methoxy-5-(3-(5-(2-(4-methylpiperazin-1-yl)ethyl)-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)benzenesulfonamide"	""	""	"COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc2n(c1)c(cn2)c1nnc(o1)CCN1CCN(CC1)C"	"LSPJWTULWKYRTQ-UHFFFAOYSA-N"	"InChI=1S/C28H28F2N8O4S/c1-36-9-11-37(12-10-36)8-7-26-33-34-28(42-26)23-16-31-25-6-3-18(17-38(23)25)19-13-22(27(41-2)32-15-19)35-43(39,40)24-5-4-20(29)14-21(24)30/h3-6,13-17,35H,7-12H2,1-2H3"	""	""	""
"12352"	"compound 15a [PMID: 36642961]"	""	"Synthetic organic"	""	""	""	""	"479821143"	"167993637"	""	""	""	""	""	""	""	"N-(3-((7-Chloro-5,8-dioxo-5,8-dihydroquinolin-6-yl)amino)bicyclo[1.1.1]pentan-1-yl)but-2-ynamide"	""	""	"O=C1C(=C(Cl)C(=O)c2ncccc12)NC12CC(C1)(NC(=O)C#CC)C2"	"XLARJZRINWFNRT-UHFFFAOYSA-N"	"InChI=1S/C18H14ClN3O3/c1-2-4-11(23)21-17-7-18(8-17,9-17)22-14-12(19)16(25)13-10(15(14)24)5-3-6-20-13/h3,5-6,22H,7-9H2,1H3,(H,21,23)"	""	""	""
"3131"	"compound 15 [Biller <i>et al.</i>, 1993]"	""	"Synthetic organic"	""	""	""	""	"135649784"	"44370656"	""	""	"CHEMBL1161373"	""	""	""	""	"({[({4-[(1E)-2,6-dimethylhepta-1,5-dien-1-yl]phenyl}methoxy)methyl](hydroxy)phosphoryl}methyl)phosphonic acid"	""	""	"CC(=CCC/C(=C/c1ccc(cc1)COCP(=O)(CP(=O)(O)O)O)/C)C"	"HEPFCZUDKRBZIK-LFIBNONCSA-N"	"InChI=1S/C18H28O6P2/c1-15(2)5-4-6-16(3)11-17-7-9-18(10-8-17)12-24-13-25(19,20)14-26(21,22)23/h5,7-11H,4,6,12-14H2,1-3H3,(H,19,20)(H2,21,22,23)/b16-11+"	""	""	""
"6725"	"compound 15b [PMID: 16242323]"	""	"Synthetic organic"	""	""	""	""	"178103336"	"45265746"	""	""	"CHEMBL541893"	""	""	""	""	"1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride"	""	""	"CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl"	"NPAVKCDQHSYXFT-UHFFFAOYSA-N"	"InChI=1S/C32H39N5O3.ClH/c1-7-8-15-37-30-24(13-10-14-34-30)27(21-11-9-12-23(16-21)40-6)29(31(37)38)36-32(39)35-28-25(19(2)3)17-22(33)18-26(28)20(4)5;/h9-14,16-20H,7-8,15,33H2,1-6H3,(H2,35,36,39);1H"	""	""	""
"8194"	"compound 15b [PMID: 16539403]"	""	"Synthetic organic"	""	""	""	""	"249565874"	"10361101"	""	""	"CHEMBL203619"	""	""	""	""	"3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol"	""	""	"OCCCn1cnc2c1cc(cc2)c1c2CCCn2nc1c1ccccn1"	"SYCWRTUPLPDKDX-UHFFFAOYSA-N"	"InChI=1S/C21H21N5O/c27-12-4-10-25-14-23-16-8-7-15(13-19(16)25)20-18-6-3-11-26(18)24-21(20)17-5-1-2-9-22-17/h1-2,5,7-9,13-14,27H,3-4,6,10-12H2"	""	""	""
"8157"	"compound 15b [PMID: 18334293]"	""	"Synthetic organic"	""	""	""	""	"249565837"	"44453784"	""	""	"CHEMBL270849"	""	""	""	""	"N-(3-chlorophenyl)-4-[3-(piperazin-1-yl)phenyl]pyrimidin-2-amine"	""	"Scios-15b"	"Clc1cccc(c1)Nc1nccc(n1)c1cccc(c1)N1CCNCC1"	"UGXVRWRXHWTSCU-UHFFFAOYSA-N"	"InChI=1S/C20H20ClN5/c21-16-4-2-5-17(14-16)24-20-23-8-7-19(25-20)15-3-1-6-18(13-15)26-11-9-22-10-12-26/h1-8,13-14,22H,9-12H2,(H,23,24,25)"	""	""	""
"10582"	"compound 15b [PMID: 31811124]"	""	"Synthetic organic"	""	""	""	""	"404859029"	"145996521"	""	""	""	""	""	""	""	"4-(4-carboxybutyl)-8-(2-oxo-2-{4-[(6-phenylhexyl)oxy]phenyl}ethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid"	""	""	"OC(=O)CCCCN1CC(Oc2c1cccc2CC(=O)c1ccc(cc1)OCCCCCCc1ccccc1)C(=O)O"	"HEZMXOWAEONYPI-UHFFFAOYSA-N"	"InChI=1S/C34H39NO7/c36-30(26-17-19-28(20-18-26)41-22-9-2-1-4-11-25-12-5-3-6-13-25)23-27-14-10-15-29-33(27)42-31(34(39)40)24-35(29)21-8-7-16-32(37)38/h3,5-6,10,12-15,17-20,31H,1-2,4,7-9,11,16,21-24H2,(H,37,38)(H,39,40)"	""	""	""
"8553"	"compound 15c [PMID: 21536437]"	""	"Synthetic organic"	""	""	""	""	"252166754"	"54585928"	""	""	"CHEMBL1784369"	""	""	""	""	"N-[4-[[4-[2-(4-chloro-2-methylphenyl)ethyl]piperidin-1-yl]sulfonylmethyl]-1-(cyclobutanecarbonyl)piperidin-4-yl]-N-hydroxyformamide"	""	""	"O=CN(C1(CCN(CC1)C(=O)C1CCC1)CS(=O)(=O)N1CCC(CC1)CCc1ccc(cc1C)Cl)O"	"SIXCEPSXNLUZTE-UHFFFAOYSA-N"	"InChI=1S/C26H38ClN3O5S/c1-20-17-24(27)8-7-22(20)6-5-21-9-13-29(14-10-21)36(34,35)18-26(30(33)19-31)11-15-28(16-12-26)25(32)23-3-2-4-23/h7-8,17,19,21,23,33H,2-6,9-16,18H2,1H3"	""	""	""
"11834"	"compound 15c [PMID: 34865476]"	""	"Synthetic organic"	""	""	""	""	"461663390"	"162641715"	""	""	""	""	""	""	""	"(4,4-difluorocyclohexyl)(phenyl)methyl N-[(1S)-1-{[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(sodiooxy)sulfonyl]propan-2-yl]carbamoyl}-3-methylbutyl]carbamate"	""	""	"O=C(N[C@H](C(=O)N[C@H](C(S(=O)(=O)O[Na])O)C[C@H]1C(=O)NCC1)CC(C)C)OC(C1CCC(F)(F)CC1)c1ccccc1"	"DVWOYOSIEJRHKW-UIRZNSHLSA-M"	"InChI=1S/C27H39F2N3O8S.Na/c1-16(2)14-20(24(34)31-21(25(35)41(37,38)39)15-19-10-13-30-23(19)33)32-26(36)40-22(17-6-4-3-5-7-17)18-8-11-27(28,29)12-9-18;/h3-7,16,18-22,25,35H,8-15H2,1-2H3,(H,30,33)(H,31,34)(H,32,36)(H,37,38,39);/q;+1/p-1/t19-,20-,21-,22?,25?;/m0./s1"	""	""	""
"12821"	"compound 15g {PMID: 34242027]"	""	"Synthetic organic"	""	""	""	""	"483123369"	"156023315"	""	""	"CHEMBL5191464"	""	""	""	""	"[(3S)-3-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-2-oxo-4-[(3S)-2-oxopiperidin-3-yl]butyl] 2,6-dichlorobenzoate"	""	""	"COC1=C2C=C(NC2=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)COC(=O)C4=C(Cl)C=CC=C4Cl"	"QHAHSNXJBQCKEG-NWVWQQAFSA-N"	"InChI=1S/C32H36Cl2N4O7/c1-17(2)13-24(38-31(42)25-15-19-22(36-25)10-5-11-27(19)44-3)30(41)37-23(14-18-7-6-12-35-29(18)40)26(39)16-45-32(43)28-20(33)8-4-9-21(28)34/h4-5,8-11,15,17-18,23-24,36H,6-7,12-14,16H2,1-3H3,(H,35,40)(H,37,41)(H,38,42)/t18-,23-,24-/m0/s1"	""	""	""
"7528"	"compound 15 [Hay <i>et al</i>., 2013]"	""	"Synthetic organic"	""	""	""	""	"187051829"	"72684073"	""	""	"CHEMBL3220860"	""	""	""	""	"6-(dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol"	""	""	"Cc1onc(c1c1ccc2c(c1)C(O)(CC2)c1ccccc1)C"	"SEOJJNHYXOQNOZ-UHFFFAOYSA-N"	"InChI=1S/C20H19NO2/c1-13-19(14(2)23-21-13)16-9-8-15-10-11-20(22,18(15)12-16)17-6-4-3-5-7-17/h3-9,12,22H,10-11H2,1-2H3"	""	""	""
"11606"	"compound 15l [PMID: 34242027]"	""	"Synthetic organic"	""	""	""	""	"442878640"	"156023320"	""	""	""	""	""	""	""	"(3S)-3-{[N-(4-Methoxy-1H-indole-2-carbonyl)-l-leucyl]amino}-2-oxo-4-[(3S)-2-oxopiperidin-3-yl]butyl 2,4,6-Trimethylpyridine-3-carboxylate"	""	""	"COc1cccc2c1cc([nH]2)C(=O)N[C@H](C(=O)N[C@H](C(=O)COC(=O)c1c(C)cc(nc1C)C)C[C@@H]1CCCNC1=O)CC(C)C"	"DVFMRMSQBLLRFB-HRNNMHKYSA-N"	"InChI=1S/C34H43N5O7/c1-18(2)13-26(39-33(43)27-16-23-24(37-27)10-7-11-29(23)45-6)32(42)38-25(15-22-9-8-12-35-31(22)41)28(40)17-46-34(44)30-19(3)14-20(4)36-21(30)5/h7,10-11,14,16,18,22,25-26,37H,8-9,12-13,15,17H2,1-6H3,(H,35,41)(H,38,42)(H,39,43)/t22-,25-,26-/m0/s1"	""	""	""
"12829"	"compound 15m [PMID: 34242027]"	""	"Synthetic organic"	""	""	""	""	"483123377"	"156023321"	""	""	"CHEMBL5173658"	""	""	""	""	"[(3S)-3-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-2-oxo-4-[(3S)-2-oxopiperidin-3-yl]butyl] 2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylate"	""	""	"COC1=C2C=C(NC2=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(=O)COC(=O)C4=C(C)N=C(C)C=C4C(F)(F)F"	"ZOSDANWQBTXOLM-OPXMRZJTSA-N"	"InChI=1S/C34H40F3N5O7/c1-17(2)12-25(42-32(46)26-15-21-23(40-26)9-6-10-28(21)48-5)31(45)41-24(14-20-8-7-11-38-30(20)44)27(43)16-49-33(47)29-19(4)39-18(3)13-22(29)34(35,36)37/h6,9-10,13,15,17,20,24-25,40H,7-8,11-12,14,16H2,1-5H3,(H,38,44)(H,41,45)(H,42,46)/t20-,24-,25-/m0/s1"	""	""	""
"6993"	"compound 15 [PMID: 18178086]"	""	"Synthetic organic"	""	""	""	""	"178103572"	"73755255"	""	""	""	""	""	""	""	"N-[(2S)-1-[4-[(3,4-dichlorophenyl)-dimethylidene-$l^{6}-sulfanyl]piperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine"	""	""	"C[C@H](Nc1ncnc2c1scc2C)CN1CCN(CC1)S(=C)(=C)c1ccc(c(c1)Cl)Cl"	"WBVRCGUUZYPAGR-INIZCTEOSA-N"	"InChI=1S/C22H27Cl2N5S2/c1-15-13-30-21-20(15)25-14-26-22(21)27-16(2)12-28-7-9-29(10-8-28)31(3,4)17-5-6-18(23)19(24)11-17/h5-6,11,13-14,16H,3-4,7-10,12H2,1-2H3,(H,25,26,27)/t16-/m0/s1"	""	""	""
"3120"	"compound 15 [PMID: 19456099]"	""	"Synthetic organic"	""	""	""	""	"135649665"	"44185382"	""	""	"CHEMBL1208103"	""	""	""	""	"[1-(hydroxyamino)-1-oxo-5-(3-phenoxyphenyl)pentan-2-yl]phosphonic acid"	""	"compound 1j [PMID:19456099]"	"ONC(=O)C(P(=O)(O)O)CCCc1cccc(c1)Oc1ccccc1"	"HGDWHTASNMRJMP-UHFFFAOYSA-N"	"InChI=1S/C17H20NO6P/c19-17(18-20)16(25(21,22)23)11-5-7-13-6-4-10-15(12-13)24-14-8-2-1-3-9-14/h1-4,6,8-10,12,16,20H,5,7,11H2,(H,18,19)(H2,21,22,23)"	""	""	""
"8636"	"compound 15 [PMID: 22017539]"	""	"Synthetic organic"	""	""	""	""	"252166836"	"45376872"	""	""	"CHEMBL1939876"	""	""	""	""	"4-[[[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazole-3-carbonyl]amino]methyl]benzoic acid"	""	"4UF"	"CCOC(=O)c1[nH]c2c(c1)cc(cc2)c1cc(nn1C)C(=O)NCc1ccc(cc1)C(=O)O"	"MMJPVSDTLGFIQW-UHFFFAOYSA-N"	"InChI=1S/C24H22N4O5/c1-3-33-24(32)20-11-17-10-16(8-9-18(17)26-20)21-12-19(27-28(21)2)22(29)25-13-14-4-6-15(7-5-14)23(30)31/h4-12,26H,3,13H2,1-2H3,(H,25,29)(H,30,31)"	""	""	""
"8220"	"compound 15 [PMID: 24900237]"	""	"Synthetic organic"	""	""	""	""	"249565900"	"25229528"	""	""	"CHEMBL2042829"	""	""	""	""	"(1S,2S,3R,4R)-3-[[5-chloro-2-[(1-ethyl-6-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide"	""	""	"CCN1C(=O)CCCc2c1ccc(c2OC)Nc1ncc(c(n1)N[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)N)C2)Cl"	"GLGNXYJARSMNGJ-VKTIVEEGSA-N"	"InChI=1S/C25H29ClN6O3/c1-3-32-18-10-9-17(22(35-2)15(18)5-4-6-19(32)33)29-25-28-12-16(26)24(31-25)30-21-14-8-7-13(11-14)20(21)23(27)34/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t13-,14+,20+,21-/m1/s1"	""	""	""
"7803"	"compound 15 [PMID: 25313322]"	""	"Synthetic organic"	""	""	""	""	"223366134"	"86277841"	""	""	""	""	""	""	""	"4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine"	""	""	"CNc1nc(NCc2ccc(cc2Cl)Cl)cc(n1)c1ccccn1"	"HOVRMCPKCWLHJS-UHFFFAOYSA-N"	"InChI=1S/C17H15Cl2N5/c1-20-17-23-15(14-4-2-3-7-21-14)9-16(24-17)22-10-11-5-6-12(18)8-13(11)19/h2-9H,10H2,1H3,(H2,20,22,23,24)"	""	""	""
"9078"	"compound 15 [PMID: 25411721]"	""	"Synthetic organic"	""	""	""	""	"315661163"	"60166172"	""	""	""	""	""	""	""	"N-(4-fluoro-2-methylphenyl)-3-methyl-N-[(2-methyl-1H-indol-4-yl)methyl]pyridine-4-carboxamide"	""	"example 252 [WO2007110237]"	"Fc1ccc(c(c1)C)N(C(=O)c1ccncc1C)Cc1cccc2c1cc([nH]2)C"	"FMASTMURQSHELY-UHFFFAOYSA-N"	"InChI=1S/C24H22FN3O/c1-15-11-19(25)7-8-23(15)28(24(29)20-9-10-26-13-16(20)2)14-18-5-4-6-22-21(18)12-17(3)27-22/h4-13,27H,14H2,1-3H3"	"yes"	""	""
"9982"	"compound 15 [PMID: 25699151]"	""	"Synthetic organic"	""	""	""	""	"374883869"	"67436561"	""	""	"CHEMBL3394220"	""	""	""	""	"(4S)-3'-(3,6-dihydro-2H-pyran-5-yl)-1'-fluoro-7'-(3-fluoropyridin-2-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine"	""	"example 385 [US8883782]"	"NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c2cc(nc1F)C1=CCCOC1)c1ncccc1F"	"HGRWHBQLRXWSLV-DEOSSOPVSA-N"	"InChI=1S/C24H18F2N4O3/c25-17-4-1-7-28-20(17)13-5-6-19-15(9-13)24(12-32-23(27)30-24)16-10-18(14-3-2-8-31-11-14)29-22(26)21(16)33-19/h1,3-7,9-10H,2,8,11-12H2,(H2,27,30)/t24-/m0/s1"	""	""	""
"10706"	"compound 15 [PMID: 32045236]"	""	"Synthetic organic"	""	""	""	""	"404859153"	"145996542"	""	""	""	""	""	""	""	"2-Iodoadenosine-5′-O-[(phosphonomethyl)phosphonic Acid]"	""	""	"O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(I)nc2N"	"OJRUSAPKCPIVBY-KQYNXXCUSA-N"	"InChI=1S/C11H16IN5O9P2/c12-11-15-8(13)5-9(16-11)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1"	"yes"	""	""
"12573"	"compound 15 [PMID: 33738061]"	""	"Synthetic organic"	""	""	""	""	"479821363"	"77846592"	""	""	"CHEMBL4748198"	""	""	""	""	"1-[[2-(4-tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methyl]piperidine-4-carboxylic acid"	""	""	"C(C)(C)(C)[C@@H]1CC[C@H](CC1)OC2=C(C3=CC=CC=C3C(=C2)C)CN4CCC(CC4)C(=O)O"	"KVRMGFKQCUEJMS-HZCBDIJESA-N"	"InChI=1S/C28H39NO3/c1-19-17-26(32-22-11-9-21(10-12-22)28(2,3)4)25(24-8-6-5-7-23(19)24)18-29-15-13-20(14-16-29)27(30)31/h5-8,17,20-22H,9-16,18H2,1-4H3,(H,30,31)/t21-,22-"	""	""	""
"12841"	"compound 15 [PMID: 34438124]"	""	"Synthetic organic"	""	""	""	""	"483123389"	"10922309"	""	""	"CHEMBL5081176"	""	""	""	""	"2-acetyl-8-methoxynaphthalene-1,4-dione"	""	""	"COC1=CC=CC2=C1C(=O)C(=CC2=O)C(C)=O"	"QASXCIRROULNNX-UHFFFAOYSA-N"	"InChI=1S/C13H10O4/c1-7(14)9-6-10(15)8-4-3-5-11(17-2)12(8)13(9)16/h3-6H,1-2H3"	""	""	""
"12115"	"compound 15 [PMID: 35034442]"	""	"Synthetic organic"	""	""	""	""	"472319237"	"164946907"	""	""	""	""	""	""	""	"(E)-1-(3-((3-(2-(4-Chloro-3-(trifluoromethyl)benzylidene)hydrazine-1-carbonyl)-6,6-dimethyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)phenyl)-20-(2-methoxyethyl)-2,5,8,11,14,17-hexaoxa-20-azadocosan-22-oic Acid"	""	""	"O=C(c1cccc(COCCOCCOCCOCCOCCOCCN(CC(=O)O)CCOC)c1)Nc1c(C(=O)N/N=C/c2cc(C(F)(F)F)c(Cl)cc2)c2CCC(C)(C)Cc2s1"	"KDDSSBXRLQRJDR-GBIUOOPFSA-N"	"InChI=1S/C44H58ClF3N4O11S/c1-43(2)10-9-34-37(27-43)64-42(39(34)41(56)51-49-28-31-7-8-36(45)35(26-31)44(46,47)48)50-40(55)33-6-4-5-32(25-33)30-63-24-23-62-22-21-61-20-19-60-18-17-59-16-15-58-14-12-52(11-13-57-3)29-38(53)54/h4-8,25-26,28H,9-24,27,29-30H2,1-3H3,(H,50,55)(H,51,56)(H,53,54)/b49-28+"	""	""	""
"11989"	"compound 15 [PMID: 35450354]"	""	"Synthetic organic"	""	""	""	""	"464244130"	"163358783"	""	""	""	""	""	""	""	""	""	""	"C1(CC1)c1cc2c(n[nH]c2cc1c1cc(nc(c1)C)C)N[C@H]1[C@@H](CN(CC1)C)F"	"PNGWZDXPZBZBRC-NHCUHLMSSA-N"	"InChI=1S/C23H28FN5/c1-13-8-16(9-14(2)25-13)18-11-22-19(10-17(18)15-4-5-15)23(28-27-22)26-21-6-7-29(3)12-20(21)24/h8-11,15,20-21H,4-7,12H2,1-3H3,(H2,26,27,28)/t20-,21-/m1/s1"	""	""	""
"14423"	"compound 15 [PMID: 41769711]"	""	"Synthetic organic"	""	""	""	""	"523352215"	"177924598"	""	""	""	""	""	""	""	"1-((4aR,10S)-10-(5-Amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl)-11-chloro-9-fluoro-1,2,4a,5-tetrahydropyrazino[1′,2′:4,5][1,4]oxazino[2,3-c]quinolin-3(4H)-yl)prop-2-en-1-one"	""	""	"NC1=CC(C2=C(Cl)C=C3C=4N5[C@@H](COC4C=NC3=C2F)CN(C(C=C)=O)CC5)=C(C(F)(F)F)C(C)=C1F"	"DNDDKPAWCOTOAU-GFCCVEGCSA-N"	"InChI=1S/C25H20ClF5N4O2/c1-3-18(36)34-4-5-35-12(9-34)10-37-17-8-33-23-14(24(17)35)6-15(26)19(22(23)28)13-7-16(32)21(27)11(2)20(13)25(29,30)31/h3,6-8,12H,1,4-5,9-10,32H2,2H3/t12-/m1/s1"	""	""	""
"3092"	"compound 15 [PMID: 8709131]"	""	"Synthetic organic"	""	""	""	""	"135649734"	"19077549"	""	""	"CHEMBL327957"	""	""	""	""	"3-[(E)-2-(4-phenylphenyl)ethenyl]-1-azabicyclo[2.2.2]octane"	""	""	"C(=C\c1ccc(cc1)c1ccccc1)/C1CN2CCC1CC2"	"OBORHRVWTIDYCG-DHZHZOJOSA-N"	"InChI=1S/C21H23N/c1-2-4-18(5-3-1)19-9-6-17(7-10-19)8-11-21-16-22-14-12-20(21)13-15-22/h1-11,20-21H,12-16H2/b11-8+"	""	""	""
"13044"	"compound 15z [PMID: 38029358]"	""	"Synthetic organic"	""	""	""	""	"491299826"	"169494481"	""	""	""	""	""	""	""	"N-(5-Chloro-2-(2-methoxyethoxy)benzyl)-N-(5-(N-propylsulfamoyl)-2,3-dihydro-1H-inden-2-yl)benzofuran-2-carboxamide"	""	"NLRP3 inhibitor 15z"	"O=S(C1=CC2=C(CC(N(C(C3=CC4=C(C=CC=C4)O3)=O)CC5=C(OCCOC)C=CC(Cl)=C5)C2)C=C1)(NCCC)=O"	"NDHJABNMYOMGPH-UHFFFAOYSA-N"	"InChI=1S/C31H33ClN2O6S/c1-3-12-33-41(36,37)27-10-8-21-16-26(17-23(21)18-27)34(31(35)30-19-22-6-4-5-7-29(22)40-30)20-24-15-25(32)9-11-28(24)39-14-13-38-2/h4-11,15,18-19,26,33H,3,12-14,16-17,20H2,1-2H3"	"yes"	""	""
"6427"	"compound 16a [PMID: 14697765]"	""	"Synthetic organic"	""	""	""	""	"178103043"	"10380127"	""	""	""	""	""	""	""	"2-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,2-a]pyridine"	""	""	"COc1cc(ccc1c1ccccn1)c1nc2n(c1)cccc2"	"DNCGFJANVDVZIZ-UHFFFAOYSA-N"	"InChI=1S/C19H15N3O/c1-23-18-12-14(8-9-15(18)16-6-2-4-10-20-16)17-13-22-11-5-3-7-19(22)21-17/h2-13H,1H3"	""	""	""
"13947"	"compound 16a [PMID: 38522114]"	""	"Synthetic organic"	""	""	""	""	"513757632"	"171038153"	""	""	""	""	""	""	""	"N-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-3-piperidin-1-ylpropanamide"	""	""	"O=C(CCN1CCCCC1)NCC2(CC3=C4C=CC=CC4=CC=C3)CCN(CC5=CC=CC=C5)CC2"	"NDLDMUWZIWYVEB-UHFFFAOYSA-N"	"InChI=1S/C32H41N3O/c36-31(16-21-34-19-7-2-8-20-34)33-26-32(24-29-14-9-13-28-12-5-6-15-30(28)29)17-22-35(23-18-32)25-27-10-3-1-4-11-27/h1,3-6,9-15H,2,7-8,16-26H2,(H,33,36)"	""	""	""
"3107"	"compound 16a [Sharratt <i>et al.</i>, 1994]"	""	"Synthetic organic"	""	""	""	""	"135649713"	"44373472"	""	""	"CHEMBL160176"	""	""	""	""	"(2S,4R,5S,6S)-2-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-2-carbamoyl-4-({[(2E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy}methyl)-5-hydroxy-1,3-dioxane-4,5,6-tricarboxylic acid"	""	""	"CC[C@@H](C[C@@H](/C=C/C(=O)OC[C@]1(O[C@](CCC(=C)[C@H]([C@@H](Cc2ccccc2)C)OC(=O)C)(O[C@@H]([C@@]1(O)C(=O)O)C(=O)O)C(=O)N)C(=O)O)C)C"	"TWYYFYNJOJGNFP-CUXYNZQBSA-N"	"InChI=1S/C35H47NO14/c1-7-20(2)17-21(3)13-14-26(38)47-19-33(31(42)43)35(46,32(44)45)28(29(39)40)49-34(50-33,30(36)41)16-15-22(4)27(48-24(6)37)23(5)18-25-11-9-8-10-12-25/h8-14,20-21,23,27-28,46H,4,7,15-19H2,1-3,5-6H3,(H2,36,41)(H,39,40)(H,42,43)(H,44,45)/b14-13+/t20-,21+,23+,27+,28+,33-,34-,35+/m0/s1"	""	""	""
"12337"	"compound 16d [PMID: 36573286]"	""	"Synthetic organic"	""	""	""	""	"479821128"	"163264127"	""	""	""	""	""	""	""	"[(2S)-4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-phenylmethanone"	""	""	"C[C@H]1CN(CCN1C(=O)c1ccccc1)C(=O)c1nn2c(c3ccc(c(c3)OC)OC)ccnc2c1"	"IZQQHYQEKBFWAG-SFHVURJKSA-N"	"InChI=1S/C27H27N5O4/c1-18-17-30(13-14-31(18)26(33)19-7-5-4-6-8-19)27(34)21-16-25-28-12-11-22(32(25)29-21)20-9-10-23(35-2)24(15-20)36-3/h4-12,15-16,18H,13-14,17H2,1-3H3/t18-/m0/s1"	""	""	""
"9988"	"compound 16d [Tao <i>et al.</i>, 2009]"	""	"Synthetic organic"	""	""	""	""	"374883875"	"11305809"	""	""	""	""	""	""	""	"2‐Methyl‐11‐(1‐methylethyl)‐8‐(pyrimidin‐2‐yloxy)‐2,5,6,11,12,13‐hexahydro‐4H‐indazolo[5,4‐a]pyrrolo[3,4‐c]carbazol‐4‐one"	""	"example 19 [US8084472]"	"Cn1nc2c(c1)c1c3C(=O)NCc3c3c(c1CC2)n(C(C)C)c1c3cc(cc1)Oc1ncccn1"	"GCRBQBQLMPBGQC-UHFFFAOYSA-N"	"InChI=1S/C27H24N6O2/c1-14(2)33-21-8-5-15(35-27-28-9-4-10-29-27)11-17(21)23-18-12-30-26(34)24(18)22-16(25(23)33)6-7-20-19(22)13-32(3)31-20/h4-5,8-11,13-14H,6-7,12H2,1-3H3,(H,30,34)"	""	""	""
"3011"	"compound 16f [PMID: 18155906]"	""	"Synthetic organic"	""	""	""	""	"135649748"	"44446672"	""	""	"CHEMBL1207386"	""	""	""	""	"(3R,5R)-7-[4-[[3-(2-amino-2-oxoethyl)phenyl]sulfamoyl]-2,3-bis(4-fluorophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid"	""	""	"O[C@@H](C[C@H](CC(=O)O)O)CCn1c(c2ccc(cc2)F)c(c(c1C(C)C)S(=O)(=O)Nc1cccc(c1)CC(=O)N)c1ccc(cc1)F"	"ZXGVFUKWWWNTTQ-VSGBNLITSA-N"	"InChI=1S/C34H37F2N3O7S/c1-20(2)32-34(47(45,46)38-26-5-3-4-21(16-26)17-29(37)42)31(22-6-10-24(35)11-7-22)33(23-8-12-25(36)13-9-23)39(32)15-14-27(40)18-28(41)19-30(43)44/h3-13,16,20,27-28,38,40-41H,14-15,17-19H2,1-2H3,(H2,37,42)(H,43,44)/t27-,28-/m1/s1"	""	""	""
"12028"	"compound 16g [PMID: 35507418]"	""	"Synthetic organic"	""	""	""	""	"464244169"	"163358788"	""	""	""	""	""	""	""	"(7-(4-(3-Fluoro-5-methoxybenzoyl)-2,6-dimethylphenoxy)-4-hydroxy-1-methoxyisoquinoline-3-carbonyl)glycine"	""	""	"O=C(NCC(=O)O)c1c(O)c2ccc(Oc3c(C)cc(C(=O)c4cc(OC)cc(F)c4)cc3C)cc2c(OC)n1"	"CRBPLLHXFFMVKV-UHFFFAOYSA-N"	"InChI=1S/C29H25FN2O8/c1-14-7-16(25(35)17-9-18(30)11-20(10-17)38-3)8-15(2)27(14)40-19-5-6-21-22(12-19)29(39-4)32-24(26(21)36)28(37)31-13-23(33)34/h5-12,36H,13H2,1-4H3,(H,31,37)(H,33,34)"	""	""	""
"10502"	"compound 16i [PMID: 31525963]"	""	"Synthetic organic"	""	""	""	""	"387065584"	"139593558"	""	""	""	""	""	""	""	""	""	""	"O=C([C@@H]1CCC(=O)N1c1cccs1)NCc1ccc(cc1Cl)Cl"	"PCHSDJRKGJKOAG-ZDUSSCGKSA-N"	"InChI=1S/C16H14Cl2N2O2S/c17-11-4-3-10(12(18)8-11)9-19-16(22)13-5-6-14(21)20(13)15-2-1-7-23-15/h1-4,7-8,13H,5-6,9H2,(H,19,22)/t13-/m0/s1"	"yes"	""	""
"6429"	"compound 16m [PMID: 19931453]"	""	"Synthetic organic"	""	""	""	""	"178103045"	"23725699"	""	""	"CHEMBL593590"	""	""	""	""	"[5-chloro-6-[(6-methylpyridin-3-yl)amino]pyridin-3-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone"	""	""	"CC[C@@H]1CCCCN1C(=O)c1cnc(c(c1)Cl)Nc1ccc(nc1)C"	"QABUURICQJOWID-MRXNPFEDSA-N"	"InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)/t16-/m1/s1"	""	""	""
"6726"	"compound 16 [PMID: 16242323]"	""	"Synthetic organic"	""	""	""	""	"178103337"	"73755234"	""	""	""	""	""	""	""	"1-[2,4-bis(propan-2-yl)-1,2-dihydropyridin-3-yl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride"	""	""	"CCCCn1c(=O)c(NC(=O)NC2=C(C=CNC2C(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl"	"UXCQVIIRKWYPHK-UHFFFAOYSA-N"	"InChI=1S/C31H39N5O3.ClH/c1-7-8-17-36-29-24(13-10-15-33-29)25(21-11-9-12-22(18-21)39-6)28(30(36)37)35-31(38)34-27-23(19(2)3)14-16-32-26(27)20(4)5;/h9-16,18-20,26,32H,7-8,17H2,1-6H3,(H2,34,35,38);1H"	""	""	""
"8177"	"compound 16 [PMID: 17480064]"	""	"Synthetic organic"	""	""	""	""	"249565857"	"10389239"	""	""	"CHEMBL226403"	""	""	""	""	"2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one"	""	""	"O=C1NCCc2c1cc([nH]2)c1ccnc(c1)c1cnc2c(c1)cccc2"	"OWFLADWRSCINST-UHFFFAOYSA-N"	"InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)"	""	""	""
"12977"	"compound 16 [PMID: 17585909]"	""	"Synthetic organic"	""	""	""	""	"485206098"	"13671155"	""	""	"CHEMBL1231507"	""	""	""	""	"(3R)-3-(hexadecanoylamino)-4-(trimethylazaniumyl)butanoate"	""	""	"C(CCCCCCCCCCCCCCC)(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C"	"IUBZDMWVMKIBIS-OAQYLSRUSA-N"	"InChI=1S/C23H46N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)24-21(19-23(27)28)20-25(2,3)4/h21H,5-20H2,1-4H3,(H-,24,26,27,28)/t21-/m1/s1"	""	""	""
"3195"	"compound 16 [PMID: 18800762]"	""	"Synthetic organic"	""	""	""	""	"135649698"	"25023863"	""	""	"CHEMBL494896"	""	""	""	""	"{2-[dodecyl(methyl)amino]-1-phosphonoethyl}phosphonic acid"	""	"bisphosphonate, 16"	"CCCCCCCCCCCCN(CC(P(=O)(O)O)P(=O)(O)O)C"	"FQYMJTHEUPKDPQ-UHFFFAOYSA-N"	"InChI=1S/C15H35NO6P2/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14-15(23(17,18)19)24(20,21)22/h15H,3-14H2,1-2H3,(H2,17,18,19)(H2,20,21,22)"	""	""	""
"8178"	"compound 16 [PMID: 18945615]"	""	"Synthetic organic"	""	""	""	""	"249565858"	"135524168"	""	""	"CHEMBL461139"	""	""	""	""	"6-[2-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]pyridin-4-yl]-1,7-dihydropyrrolo[3,2-e]pyrimidin-4-one"	""	""	"O=c1[nH]cnc2c1cc([nH]2)c1ccnc(c1)/C=C/c1ccc(cc1)CN1CCOCC1"	"AWZFCQRICMFIES-AATRIKPKSA-N"	"InChI=1S/C24H23N5O2/c30-24-21-14-22(28-23(21)26-16-27-24)19-7-8-25-20(13-19)6-5-17-1-3-18(4-2-17)15-29-9-11-31-12-10-29/h1-8,13-14,16H,9-12,15H2,(H2,26,27,28,30)/b6-5+"	""	""	""
"8837"	"compound 16 [PMID: 19097778]"	""	"Synthetic organic"	""	""	""	""	"252827494"	"25195323"	""	""	"CHEMBL482331"	""	""	""	""	"1-[2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one"	""	""	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)Oc1cc(O)cc(c1C(=O)CCc1ccc(cc1)O)O"	"ONBQEOIKXPHGMB-VBSBHUPXSA-N"	"InChI=1S/C20H22O9/c21-9-16-18(26)19(27)20(29-16)28-15-8-12(23)7-14(25)17(15)13(24)6-3-10-1-4-11(22)5-2-10/h1-2,4-5,7-8,16,18-23,25-27H,3,6,9H2/t16-,18-,19-,20-/m1/s1"	""	""	""
"7057"	"compound 16 [PMID: 20947351]"	""	"Synthetic organic"	""	""	""	""	"178103636"	"50908800"	""	""	"CHEMBL1289931"	""	""	""	""	"tert-butyl N-[(2S)-1-(cyclopentylamino)-8-(hydroxyamino)-1,8-dioxooctan-2-yl]carbamate"	""	""	"ONC(=O)CCCCC[C@@H](C(=O)NC1CCCC1)NC(=O)OC(C)(C)C"	"YKINZQJOQFMNPU-AWEZNQCLSA-N"	"InChI=1S/C18H33N3O5/c1-18(2,3)26-17(24)20-14(11-5-4-6-12-15(22)21-25)16(23)19-13-9-7-8-10-13/h13-14,25H,4-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)/t14-/m0/s1"	""	""	""
"8698"	"compound 16 [PMID: 23412139]"	""	"Synthetic organic"	""	""	""	""	"252166898"	"66575082"	""	""	"CHEMBL2151181"	""	""	""	""	"(6S)-2-amino-6-[3-chloro-5-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one"	""	"0V6"	"CC#Cc1cncc(c1)c1cc(c(s1)[C@]1(C)CC(=O)N(C(=N1)N)C)Cl"	"IJYPXSRDUPWKPB-SFHVURJKSA-N"	"InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(19)16(25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1"	""	""	""
"9223"	"compound 16 [PMID: 26794040]"	""	"Synthetic organic"	""	""	""	""	"315661299"	"90309142"	""	""	""	""	""	""	""	"2-[4-[3-(4-fluorophenoxy)-5-[[3-hydroxy-3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]phenoxy]phenyl]-2-methylpropanoic acid"	""	""	"Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C"	"WCDFXVWDGHHCSI-UHFFFAOYSA-N"	"InChI=1S/C31H35FN2O6/c1-20(2)18-31(38)13-14-34(19-31)29(37)33-23-15-26(17-27(16-23)40-25-11-7-22(32)8-12-25)39-24-9-5-21(6-10-24)30(3,4)28(35)36/h5-12,15-17,20,38H,13-14,18-19H2,1-4H3,(H,33,37)(H,35,36)"	"yes"	""	""
"10482"	"compound 16 [PMID: 31498617]"	""	"Synthetic organic"	""	""	""	""	"385612241"	"139030531"	""	""	""	""	""	""	""	"N-(2-(1-Aminoisoquinolin-6-yloxy)-4-methylphenyl)-2-methoxybenzenesulfonamide"	""	""	"COc1ccccc1S(=O)(=O)Nc1ccc(cc1Oc1ccc2c(c1)ccnc2N)C"	"BWEJNHRMGZUMNU-UHFFFAOYSA-N"	"InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25)"	""	""	""
"10501"	"compound 16 [PMID: 31525966]"	""	"Synthetic organic"	""	""	""	""	"387065583"	"139269773"	""	""	""	""	""	""	""	""	""	""	"COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc(s1)c1cnc2c(c1)CN(C2=O)C"	"ZYYGNLSPUWSHQW-UHFFFAOYSA-N"	"InChI=1S/C24H18F2N4O4S2/c1-30-12-15-7-13(10-27-22(15)24(30)31)19-4-5-20(35-19)14-8-18(23(34-2)28-11-14)29-36(32,33)21-6-3-16(25)9-17(21)26/h3-11,29H,12H2,1-2H3"	"yes"	""	""
"10713"	"compound 16 [PMID: 31653597]"	""	"Synthetic organic"	""	""	""	""	"404859160"	"139592542"	""	""	""	""	""	""	""	"4-[4-[[(1R)-6-[2-[2-[[(2S)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]ethoxy]ethoxy]-1-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,4-dihydro-2H-isoquinolin-7-yl]oxy]-2-fluorophenyl]benzoic acid"	""	""	"CC(OC(=O)N[C@H](C(=O)NCCOCCOc1cc2CCN[C@](c2cc1Oc1ccc(c(c1)F)c1ccc(cc1)C(=O)O)(C)CC(=O)Nc1nccs1)CCCN/C(=N/C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C)(C)C"	"BOAJXEFAPWTSFX-FXASYPJLSA-N"	"InChI=1S/C53H69FN8O13S/c1-50(2,3)73-47(67)59-39(12-11-20-56-45(61-48(68)74-51(4,5)6)62-49(69)75-52(7,8)9)43(64)55-22-24-70-25-26-71-40-28-34-19-21-58-53(10,31-42(63)60-46-57-23-27-76-46)37(34)30-41(40)72-35-17-18-36(38(54)29-35)32-13-15-33(16-14-32)44(65)66/h13-18,23,27-30,39,58H,11-12,19-22,24-26,31H2,1-10H3,(H,55,64)(H,59,67)(H,65,66)(H,57,60,63)(H2,56,61,62,68,69)/t39-,53+/m0/s1"	""	""	""
"10881"	"compound 16 [PMID: 31955138]"	""	"Synthetic organic"	""	""	""	""	"405560322"	"146170994"	""	""	""	""	""	""	""	"4-(cyclopent-1-en-3-ylamino)-5-(2-(4-iodophenyl)hydrazinyl)-4H-1,2,4-triazole-3-thiol"	""	""	"Sc1nnc(n1NC1CCC=C1)NNc1ccc(cc1)I"	"HZJRZVOMEGOUMN-UHFFFAOYSA-N"	"InChI=1S/C13H15IN6S/c14-9-5-7-10(8-6-9)15-16-12-17-18-13(21)20(12)19-11-3-1-2-4-11/h1,3,5-8,11,15,19H,2,4H2,(H,16,17)(H,18,21)"	""	""	""
"10650"	"compound 16 [PMID: 31977207]"	""	"Synthetic organic"	""	""	""	""	"404859097"	"145996537"	""	""	""	""	""	""	""	""	""	""	"CN(CC1C(=O)O[C@H]2[C@H]1CC/C(=C\CC[C@@]1([C@H]2O1)C)/C(=O)OCCOCCOC(=O)/C/1=C/CC[C@@]2(C)O[C@H]2[C@@H]2[C@@H](CC1)[C@H](CN(C)C)C(=O)O2)C"	"ZNXWRMSQZDHKCM-SBRQVZBJSA-N"	"InChI=1S/C38H56N2O11/c1-37-15-7-9-23(11-13-25-27(21-39(3)4)35(43)48-29(25)31(37)50-37)33(41)46-19-17-45-18-20-47-34(42)24-10-8-16-38(2)32(51-38)30-26(14-12-24)28(22-40(5)6)36(44)49-30/h9-10,25-32H,7-8,11-22H2,1-6H3/b23-9+,24-10+/t25-,26-,27-,28?,29-,30-,31-,32-,37+,38+/m0/s1"	""	""	""
"12835"	"compound 16 [PMID: 34408808]"	""	"Synthetic organic"	""	""	""	""	"483123383"	"164621134"	""	""	"CHEMBL4870541"	""	""	""	""	"5-[5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-6-oxo-1-pyridin-3-ylpyridin-3-yl]-1-methylpyrimidine-2,4-dione"	""	""	"CN1C=C(C(=O)NC1=O)C2=CN(C(=O)C(=C2)C3=CC(Cl)=CC(OCC4CC4)=C3)C5=CN=CC=C5"	"WQPXNFAUKKEFHC-UHFFFAOYSA-N"	"InChI=1S/C25H21ClN4O4/c1-29-13-22(23(31)28-25(29)33)17-9-21(24(32)30(12-17)19-3-2-6-27-11-19)16-7-18(26)10-20(8-16)34-14-15-4-5-15/h2-3,6-13,15H,4-5,14H2,1H3,(H,28,31,33)"	""	""	""
"13259"	"compound 16 [PMID: 38385364]"	""	"Synthetic organic"	""	""	""	""	"491300041"	"168841449"	""	""	""	""	""	""	""	"[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.0<sup>1,8</sup>]tetradecanyl] 2-[4-[6-[(6-piperazin-1-ylpurin-9-yl)methyl]pyridin-3-yl]triazol-1-yl]acetate"	""	""	"C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CN4C=C(N=N4)C5=CN=C(C=C5)CN6C=NC7=C6N=CN=C7N8CCNCC8)C"	"JMWFCYTVJBGCRD-ODXCVMAQSA-N"	"InChI=1S/C39H50N10O4/c1-6-37(4)17-30(38(5)24(2)9-11-39(25(3)34(37)52)12-10-29(50)33(38)39)53-31(51)21-49-20-28(45-46-49)26-7-8-27(41-18-26)19-48-23-44-32-35(42-22-43-36(32)48)47-15-13-40-14-16-47/h6-8,18,20,22-25,30,33-34,40,52H,1,9-17,19,21H2,2-5H3/t24-,25+,30-,33+,34+,37-,38+,39+/m1/s1"	""	""	"yes"
"13292"	"compound 16 [PMID: 38526960]"	""	"Synthetic organic"	""	""	""	""	"496703262"	"171364418"	""	""	""	""	""	""	""	"(1R,3aR,4aS,6aS,7S,9aS,9bS)-7-(((2,6-dichlorophenyl)sulfonyl)methyl)-1-hydroxy-1,4a-dimethyloctahydro-1H-oxireno[2′,3′:8,8a]azuleno[4,5-b]furan-8(4aH)-one"	""	""	"O=C1O[C@@H]2[C@]3([H])[C@]4(CC[C@@]3(C)O)[C@](O4)(C)CC[C@H]2[C@@H]1CS(=O)(C5=C(Cl)C=CC=C5Cl)=O"	"UZKFXCLLQZGSMT-ZTNHXCFJSA-N"	"InChI=1S/C21H24Cl2O6S/c1-19(25)8-9-21-17(19)15-11(6-7-20(21,2)29-21)12(18(24)28-15)10-30(26,27)16-13(22)4-3-5-14(16)23/h3-5,11-12,15,17,25H,6-10H2,1-2H3/t11-,12-,15-,17-,19+,20-,21+/m0/s1"	""	""	""
"14197"	"compound 16 [PMID: 40916365]"	""	"Synthetic organic"	""	""	""	""	"518520824"	"170781146"	""	""	""	""	""	""	""	"3-(2-hydroxyethoxy)-5-methyl-8-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile"	""	"example 23 [US20240051958]"	"CC1=CC2=C(C=C1)OC(=N2)C3CCN(CC3)C4=CC(=O)N(C5=CC(=C(N=C54)C#N)OCCO)C"	"PLYHTIOJQKZXDZ-UHFFFAOYSA-N"	"InChI=1S/C25H25N5O4/c1-15-3-4-21-17(11-15)28-25(34-21)16-5-7-30(8-6-16)20-13-23(32)29(2)19-12-22(33-10-9-31)18(14-26)27-24(19)20/h3-4,11-13,16,31H,5-10H2,1-2H3"	""	""	""
"14211"	"compound 16 [PMID: 40939708]"	""	"Synthetic organic"	""	""	""	""	"521588851"	"172537895"	""	""	""	""	""	""	""	"4-chloro-3-{8-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-7,9-dioxo-6-[(3,4,5-trifluorophenyl)methyl]-2H,3H,6H,7H,8H,9H-furo[2,3-f]quinazolin-4-yl}benzonitrile"	""	""	"CN1C=NC(CN2C(=O)N(CC3=CC(F)=C(F)C(F)=C3)C4=C(C5=C(CCO5)C(=C4)C6=CC(=CC=C6Cl)C#N)C2=O)=N1"	"YEURKSBHYBZKBT-UHFFFAOYSA-N"	"InChI=1S/C28H18ClF3N6O3/c1-36-13-34-23(35-36)12-38-27(39)24-22(37(28(38)40)11-15-7-20(30)25(32)21(31)8-15)9-17(16-4-5-41-26(16)24)18-6-14(10-33)2-3-19(18)29/h2-3,6-9,13H,4-5,11-12H2,1H3"	""	""	""
"13172"	"compound 16z [PMID: 35609303]"	""	"Synthetic organic"	""	""	""	""	"491299954"	"166161683"	""	""	"CHEMBL5191392"	""	""	""	""	""	""	"2-16z"	"C(C1=CC=CC=C1)N2CC=3C(N=C4N(C3CC2)CCN4CC5=CC(=C(C=C5)F)Br)=O"	"MXNHOWULPTWEIK-UHFFFAOYSA-N"	"InChI=1S/C23H22BrFN4O/c24-19-12-17(6-7-20(19)25)14-28-10-11-29-21-8-9-27(13-16-4-2-1-3-5-16)15-18(21)22(30)26-23(28)29/h1-7,12H,8-11,13-15H2"	""	""	""
"6263"	"compound 1754-31 [PMID: 23788657]"	""	"Synthetic organic"	""	""	""	""	"178102883"	"91827351"	""	""	""	""	""	""	""	""	""	""	"CC([C@H]1CNC(=O)C(=O)N1C[C@@H]1CCCN1C[C@H](N1C[C@@H](Cc2ccc(cc2)O)N(C(=O)C1=O)CC1CCCCC1)Cc1ccc2c(c1)cccc2)C"	"RWNPDBWKKCTTOI-WIQNKZILSA-N"	"InChI=1S/C43H55N5O5/c1-29(2)39-24-44-40(50)41(51)48(39)27-35-13-8-20-45(35)26-36(23-32-14-17-33-11-6-7-12-34(33)21-32)47-28-37(22-30-15-18-38(49)19-16-30)46(42(52)43(47)53)25-31-9-4-3-5-10-31/h6-7,11-12,14-19,21,29,31,35-37,39,49H,3-5,8-10,13,20,22-28H2,1-2H3,(H,44,50)/t35-,36+,37+,39+/m0/s1"	""	""	""
"14231"	"compound 17af [PMID: 39967629]"	""	"Synthetic organic"	""	""	""	""	"521588871"	"3703583"	""	""	""	""	""	""	""	"3-amino-6-(4-methoxyphenyl)-N-(1-phenylethyl)-4-(trifluoromethyl)thieno[5,4-b]pyridine-2-carboxamide"	""	""	"CC(C1=CC=CC=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=C(C=C4)OC)N"	"ABGDZTGIJDTUMB-UHFFFAOYSA-N"	"InChI=1S/C24H20F3N3O2S/c1-13(14-6-4-3-5-7-14)29-22(31)21-20(28)19-17(24(25,26)27)12-18(30-23(19)33-21)15-8-10-16(32-2)11-9-15/h3-13H,28H2,1-2H3,(H,29,31)"	""	""	"yes"
"5790"	"compound (+)17a [PMID: 20363624]"	""	"Synthetic organic"	""	""	""	""	"178102415"	"11672811"	""	""	"CHEMBL1169573"	""	""	""	""	""	""	""	"n1nnc([nH]1)c1n[nH]c2c1CC1C2C1"	"DKSPRNJUDCWTID-UHFFFAOYSA-N"	"InChI=1S/C8H8N6/c1-3-2-5-6(4(1)3)9-10-7(5)8-11-13-14-12-8/h3-4H,1-2H2,(H,9,10)(H,11,12,13,14)"	""	""	""
"14146"	"compound 17b [PMID: 19639995]"	""	"Synthetic organic"	""	""	""	""	"518520773"	"44232925"	""	""	"CHEMBL564392"	""	""	""	""	"N-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide"	""	""	"BrC1=CC=C(C=C1)NC(C(C)N2N=C(C=C(C2=O)CC3=CC(=CC=C3)OC)C)=O"	"IXJJOFFFTXGHHC-UHFFFAOYSA-N"	"InChI=1S/C22H22BrN3O3/c1-14-11-17(12-16-5-4-6-20(13-16)29-3)22(28)26(25-14)15(2)21(27)24-19-9-7-18(23)8-10-19/h4-11,13,15H,12H2,1-3H3,(H,24,27)"	""	""	""
"11941"	"compound 17b [PMID: 35286086]"	""	"Synthetic organic"	""	""	""	""	"461663496"	"162679548"	""	""	""	""	""	""	""	"(Z)-N-(3-((4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)propyl)-6-((2-(4-(1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl)phenoxy)ethyl)(methyl)amino)hexanamide"	""	""	"Clc1cc(Nc2c3c(cc(c(OCCCNC(=O)CCCCCN(C)CCOc4ccc(/C(=C(\c5ccccc5)/CC)/c5ccc(O)cc5)cc4)c3)OC)ncn2)ccc1F"	"RMOTTYOBLRRJDT-XXBDBSAUSA-N"	"InChI=1S/C49H53ClFN5O5/c1-4-40(34-12-7-5-8-13-34)48(35-15-20-38(57)21-16-35)36-17-22-39(23-18-36)60-29-27-56(2)26-10-6-9-14-47(58)52-25-11-28-61-46-31-41-44(32-45(46)59-3)53-33-54-49(41)55-37-19-24-43(51)42(50)30-37/h5,7-8,12-13,15-24,30-33,57H,4,6,9-11,14,25-29H2,1-3H3,(H,52,58)(H,53,54,55)/b48-40-"	""	""	""
"8507"	"compound 17c [PMID: 25497965]"	""	"Synthetic organic"	""	""	""	""	"252166715"	"91827364"	""	""	""	""	""	""	""	"2-[(5R)-4-(2-{3-[(3-methylbutanoyl)oxy]phenyl}acetyl)-8-(trifluoromethyl)-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-5-yl]acetic acid"	""	""	"CC(CC(=O)Oc1cccc(c1)CC(=O)N1CCNc2c([C@H]1CC(=O)O)ccc(n2)C(F)(F)F)C"	"CJLZUKCACMUYFP-GOSISDBHSA-N"	"InChI=1S/C24H26F3N3O5/c1-14(2)10-22(34)35-16-5-3-4-15(11-16)12-20(31)30-9-8-28-23-17(18(30)13-21(32)33)6-7-19(29-23)24(25,26)27/h3-7,11,14,18H,8-10,12-13H2,1-2H3,(H,28,29)(H,32,33)/t18-/m1/s1"	""	""	""
"8196"	"compound 17d [PMID: 23099093]"	""	"Synthetic organic"	""	""	""	""	"249565876"	"44465558"	""	""	"CHEMBL2207198"	""	""	""	""	"N-{3-[(5-cyclopropyl-2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide"	""	""	"O=C(C1CCC1)NCCCNc1nc(ncc1C1CC1)Nc1ccc(cc1)N1CCOCC1"	"CJPMSUUANYLPET-UHFFFAOYSA-N"	"InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)"	"yes"	""	""
"7031"	"compound 17f [PMID: 19632837]"	""	"Synthetic organic"	""	""	""	""	"178103610"	"44622850"	""	""	"CHEMBL584335"	""	""	""	""	"(2-{4-[2-(2,6-dimethoxyphenyl)-4-methyl-1H-1,3-benzodiazol-6-yl]piperidin-1-yl}ethyl)(methyl)amine"	""	"benzo[d]imidazole inhibitors of PRMT4 from BMS"	"CNCCN1CCC(CC1)c1cc(C)c2c(c1)[nH]c(n2)c1c(OC)cccc1OC"	"PFOQIHIIOLBCEQ-UHFFFAOYSA-N"	"InChI=1S/C24H32N4O2/c1-16-14-18(17-8-11-28(12-9-17)13-10-25-2)15-19-23(16)27-24(26-19)22-20(29-3)6-5-7-21(22)30-4/h5-7,14-15,17,25H,8-13H2,1-4H3,(H,26,27)"	""	""	""
"10035"	"compound 17l [PMID: 26288691]"	""	"Synthetic organic"	""	""	""	""	"375973223"	"122192273"	""	""	"CHEMBL3623107"	""	""	""	""	"2-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione"	""	""	"COc1ccc(cc1OC)/C=C/c1ccccc1N1C(=O)c2c(C1=O)cccc2"	"MKFOSSOUEAENMG-ACCUITESSA-N"	"InChI=1S/C24H19NO4/c1-28-21-14-12-16(15-22(21)29-2)11-13-17-7-3-6-10-20(17)25-23(26)18-8-4-5-9-19(18)24(25)27/h3-15H,1-2H3/b13-11+"	"yes"	""	""
"715"	"compound 17 [PMID: 15300839]"	""	"Synthetic organic"	""	""	""	""	"135650672"	"44415153"	""	""	"CHEMBL1197056"	""	""	""	""	"4-methoxy-N-[(1R,2R)-2-{[1-(naphthalen-1-yl)ethyl]amino}cyclohexyl]benzene-1-sulfonamide"	""	""	"COc1ccc(cc1)S(=O)(=O)N[C@@H]1CCCC[C@H]1NC(c1cccc2c1cccc2)C"	"AKPJKVQQBSNRID-XTEKXTAFSA-N"	"InChI=1S/C25H30N2O3S/c1-18(22-11-7-9-19-8-3-4-10-23(19)22)26-24-12-5-6-13-25(24)27-31(28,29)21-16-14-20(30-2)15-17-21/h3-4,7-11,14-18,24-27H,5-6,12-13H2,1-2H3/t18?,24-,25-/m1/s1"	""	""	""
"3000"	"compound 17 [PMID: 15686906]"	""	"Synthetic organic"	""	""	""	""	"135649744"	"14849849"	""	""	"CHEMBL1161663"	""	""	""	""	"(3R,5R,6E)-7-[4,5-bis(4-fluorophenyl)-2-(propan-2-yl)-1H-imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid"	""	""	"O[C@H](C[C@H](/C=C/n1c(nc(c1c1ccc(cc1)F)c1ccc(cc1)F)C(C)C)O)CC(=O)O"	"GQOQQDINYJTQDY-LBNTZDJNSA-N"	"InChI=1S/C25H26F2N2O4/c1-15(2)25-28-23(16-3-7-18(26)8-4-16)24(17-5-9-19(27)10-6-17)29(25)12-11-20(30)13-21(31)14-22(32)33/h3-12,15,20-21,30-31H,13-14H2,1-2H3,(H,32,33)/b12-11+/t20-,21+/m0/s1"	""	""	""
"1306"	"compound 17 [PMID: 17125263]"	""	"Synthetic organic"	""	""	""	""	"135650121"	"11994411"	""	""	"CHEMBL214523"	""	""	""	""	"6-(4-chlorophenyl)-3-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]thieno[2,3-e]pyrimidin-4-one"	""	""	"Clc1ccc(cc1)c1cc2c(s1)c(=O)n(cn2)c1ccc2c(c1)ccc(c2)CN1CCCCC1"	"FJPBPFUKHDZYIJ-UHFFFAOYSA-N"	"InChI=1S/C28H24ClN3OS/c29-23-9-6-20(7-10-23)26-16-25-27(34-26)28(33)32(18-30-25)24-11-8-21-14-19(4-5-22(21)15-24)17-31-12-2-1-3-13-31/h4-11,14-16,18H,1-3,12-13,17H2"	""	""	""
"3076"	"compound 17 [PMID: 18754614]"	""	"Synthetic organic"	""	""	""	""	"135649690"	"25108301"	""	""	"CHEMBL492659"	""	""	""	""	"2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol"	""	""	"CN1CCOC(C1)(O)c1ccc(cc1)c1ccc(cc1)Br"	"NALOOEVGTGAOHW-UHFFFAOYSA-N"	"InChI=1S/C17H18BrNO2/c1-19-10-11-21-17(20,12-19)15-6-2-13(3-7-15)14-4-8-16(18)9-5-14/h2-9,20H,10-12H2,1H3"	""	""	""
"8778"	"compound 17 [PMID: 23570514]"	""	"Synthetic organic"	""	""	""	""	"252827436"	"71654771"	""	""	"CHEMBL2332041"	""	""	""	""	"tert-butyl 5-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethylcarbamoyl]thiophene-2-carboxylate"	""	""	"O=C(c1ccc(s1)C(=O)OC(C)(C)C)NCCC1CCN(CC1)c1ncnc2c1sc(c2)C(=O)N"	"XZEVSGANERUOOE-UHFFFAOYSA-N"	"InChI=1S/C24H29N5O4S2/c1-24(2,3)33-23(32)17-5-4-16(34-17)22(31)26-9-6-14-7-10-29(11-8-14)21-19-15(27-13-28-21)12-18(35-19)20(25)30/h4-5,12-14H,6-11H2,1-3H3,(H2,25,30)(H,26,31)"	""	""	""
"8161"	"compound 17 [PMID: 23642479]"	""	"Synthetic organic"	""	""	""	""	"249565841"	"46926513"	""	""	"CHEMBL2392364"	""	""	""	""	"4-(1,3-benzodioxol-5-yl)-N-[(3,5-dichlorophenyl)methyl]pyrimidin-2-amine"	""	""	"Clc1cc(CNc2nccc(n2)c2ccc3c(c2)OCO3)cc(c1)Cl"	"FFJGYBJUQCZAAY-UHFFFAOYSA-N"	"InChI=1S/C18H13Cl2N3O2/c19-13-5-11(6-14(20)8-13)9-22-18-21-4-3-15(23-18)12-1-2-16-17(7-12)25-10-24-16/h1-8H,9-10H2,(H,21,22,23)"	""	""	""
"7494"	"compound 17 [PMID: 23888693]"	""	"Synthetic organic"	""	""	""	""	"315661090"	"121231391"	""	""	""	""	""	""	""	"4-acetyl-N-benzyl-2-methyl-octahydro-2H-1,4-benzothiazine-7-sulfonamide"	""	""	"CC1SC2CC(CCC2N(C1)C(=O)C)S(=O)(=O)NCc1ccccc1"	"XWNJYOGTDUJRND-UHFFFAOYSA-N"	"InChI=1S/C18H26N2O3S2/c1-13-12-20(14(2)21)17-9-8-16(10-18(17)24-13)25(22,23)19-11-15-6-4-3-5-7-15/h3-7,13,16-19H,8-12H2,1-2H3"	""	""	""
"8666"	"compound 17 [PMID: 23916253]"	""	"Synthetic organic"	""	""	""	""	"252166866"	"71817810"	""	""	"CHEMBL2420382"	""	""	""	""	"(2S)-6-amino-2-[[4-amino-3-[[(2S)-2-amino-4-phenylbutanoyl]amino]benzoyl]amino]hexanoic acid"	""	""	"NCCCC[C@@H](C(=O)O)NC(=O)c1ccc(c(c1)NC(=O)[C@H](CCc1ccccc1)N)N"	"XPUCDWKMNQBXIH-OALUTQOASA-N"	"InChI=1S/C23H31N5O4/c24-13-5-4-8-19(23(31)32)27-21(29)16-10-12-17(25)20(14-16)28-22(30)18(26)11-9-15-6-2-1-3-7-15/h1-3,6-7,10,12,14,18-19H,4-5,8-9,11,13,24-26H2,(H,27,29)(H,28,30)(H,31,32)/t18-,19-/m0/s1"	""	""	""
"9449"	"compound 17 [PMID: 24257095]"	""	"Synthetic organic"	""	""	""	""	"329968389"	"71566654"	""	""	""	""	""	""	""	"(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S)-1-(1H-indole-3-carbonylamino)-3-methylbutyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid"	""	""	"CC(C[C@@H](c1occ(n1)C(=O)N[C@H](C(=O)O)CCCN=C(N)N)NC(=O)c1c[nH]c2c1cccc2)C"	"WGEOKEOSKNNXJR-ROUUACIJSA-N"	"InChI=1S/C24H31N7O5/c1-13(2)10-18(30-20(32)15-11-28-16-7-4-3-6-14(15)16)22-31-19(12-36-22)21(33)29-17(23(34)35)8-5-9-27-24(25)26/h3-4,6-7,11-13,17-18,28H,5,8-10H2,1-2H3,(H,29,33)(H,30,32)(H,34,35)(H4,25,26,27)/t17-,18-/m0/s1"	""	""	""
"10005"	"compound 17 [PMID: 29741897]"	""	"Synthetic organic"	""	""	""	""	"374883892"	"58392644"	""	""	""	""	""	""	""	""	""	""	"OCC(=O)[C@@]12CN(C[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1C[C@@H](C1=CC(=O)C=C[C@]21C)F)F)Cc1cccc(c1)Cl"	"AOSZTAHDEDLTLQ-AZKQZHLXSA-N"	"InChI=1S/C30H34ClF2NO4/c1-27-7-6-20(36)10-23(27)24(32)11-22-21-9-18-14-34(13-17-4-3-5-19(31)8-17)16-29(18,26(38)15-35)28(21,2)12-25(37)30(22,27)33/h3-8,10,18,21-22,24-25,35,37H,9,11-16H2,1-2H3/t18-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1"	"yes"	""	""
"11520"	"compound 17 [PMID: 33655614]"	""	"Synthetic organic"	""	""	""	""	"441604892"	"155925842"	""	""	""	""	""	""	""	""	""	""	"Clc1cncc(c1)OC(=O)c1[nH]c2c(c1)cc(cc2)Cl"	"WGTDTRRECQYDFW-UHFFFAOYSA-N"	"InChI=1S/C14H8Cl2N2O2/c15-9-1-2-12-8(3-9)4-13(18-12)14(19)20-11-5-10(16)6-17-7-11/h1-7,18H"	""	""	""
"11588"	"compound 17 [PMID: 34176264]"	""	"Synthetic organic"	""	""	""	""	"442878622"	"155142832"	""	""	""	""	""	""	""	"8-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile"	""	""	"N#Cc1ccc2c(c1)[nH]c1c2C(=O)c2c(C1(C)C)cc(c(c2)CC)N1CCN(CC1)C(=O)CNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O"	"UMEMOEKJTJMMJN-UHFFFAOYSA-N"	"InChI=1S/C40H37N7O6/c1-4-22-17-25-26(40(2,3)36-34(35(25)50)23-9-8-21(19-41)16-28(23)43-36)18-30(22)45-12-14-46(15-13-45)32(49)20-42-27-7-5-6-24-33(27)39(53)47(38(24)52)29-10-11-31(48)44-37(29)51/h5-9,16-18,29,42-43H,4,10-15,20H2,1-3H3,(H,44,48,51)"	""	""	""
"12834"	"compound 17 [PMID: 34408808]"	""	"Synthetic organic"	""	""	""	""	"483123382"	"164623015"	""	""	""	""	""	""	""	"5-[5-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-6-oxo-1-pyridin-3-ylpyridin-3-yl]-1-methylpyrimidine-2,4-dione"	""	""	"CN1C=C(C(=O)NC1=O)C2=CN(C(=O)C(=C2)C3=CC(Cl)=CC(OCCC(F)(F)F)=C3)C4=CN=CC=C4"	"UJBVSKKPZZUOLN-UHFFFAOYSA-N"	"InChI=1S/C24H18ClF3N4O4/c1-31-13-20(21(33)30-23(31)35)15-9-19(22(34)32(12-15)17-3-2-5-29-11-17)14-7-16(25)10-18(8-14)36-6-4-24(26,27)28/h2-3,5,7-13H,4,6H2,1H3,(H,30,33,35)"	""	""	""
"12185"	"compound 17 [PMID: 36111834]"	""	"Synthetic organic"	""	""	""	""	"472319307"	"165368936"	""	""	""	""	""	""	""	"11-(3-(Dimethylamino)prop-1-yn-1-yl)-5,6,7,8-tetrahydropyrimido[4′,5′:3,4]cyclohepta[1,2-b]indol-2-amine"	""	""	"Nc1ncc2CCCc3c(c2n1)c1c([nH]3)ccc(c1)C#CCN(C)C"	"DORZPJWJOBMQKC-UHFFFAOYSA-N"	"InChI=1S/C20H21N5/c1-25(2)10-4-5-13-8-9-16-15(11-13)18-17(23-16)7-3-6-14-12-22-20(21)24-19(14)18/h8-9,11-12,23H,3,6-7,10H2,1-2H3,(H2,21,22,24)"	""	""	""
"2974"	"compound 17 [PMID: 3701793]"	""	"Synthetic organic"	""	""	""	""	"135649805"	"44381199"	""	""	"CHEMBL424546"	""	""	""	""	"(4R)-6-[(1,3-dichloro-7-fluoro-9H-fluoren-9-yl)methyl]-4-hydroxyoxan-2-one"	""	""	"O[C@@H]1CC(OC(=O)C1)CC1c2cc(F)ccc2c2c1c(Cl)cc(c2)Cl"	"GRRYPQNGDOCSIL-OPGSHWCFSA-N"	"InChI=1S/C19H15Cl2FO3/c20-9-3-15-13-2-1-10(22)5-14(13)16(19(15)17(21)4-9)8-12-6-11(23)7-18(24)25-12/h1-5,11-12,16,23H,6-8H2/t11-,12?,16?/m1/s1"	""	""	""
"13347"	"compound 17 [PMID: 38325398]"	""	"Synthetic organic"	""	""	""	""	"496703317"	"155688637"	""	""	""	""	""	""	""	"1-[4-[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol"	""	""	"CC(C)(O)CN1C=C(C=N1)C2=C(C=NC(NC3CCN(CC3)S(=O)(=O)C4CC4)=N2)C(F)(F)F"	"HTBKVAJZYRVZSW-UHFFFAOYSA-N"	"InChI=1S/C20H27F3N6O3S/c1-19(2,30)12-28-11-13(9-25-28)17-16(20(21,22)23)10-24-18(27-17)26-14-5-7-29(8-6-14)33(31,32)15-3-4-15/h9-11,14-15,30H,3-8,12H2,1-2H3,(H,24,26,27)"	""	""	""
"13346"	"compound 17 [PMID: 38477582]"	""	"Synthetic organic"	""	""	""	""	"496703316"	"168255584"	""	""	""	""	""	""	""	"2-[[(1R)-1-[3-cyano-2-(4,4-difluoropiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]benzoic acid"	""	""	"CC=1C=C(C2=NC(=C(C(=O)N2C1)C#N)N3CCC(CC3)(F)F)[C@@H](C)NC4=CC=CC=C4C(=O)O"	"OIVDIJHGKFXNJF-OAHLLOKOSA-N"	"InChI=1S/C24H23F2N5O3/c1-14-11-17(15(2)28-19-6-4-3-5-16(19)23(33)34)21-29-20(18(12-27)22(32)31(21)13-14)30-9-7-24(25,26)8-10-30/h3-6,11,13,15,28H,7-10H2,1-2H3,(H,33,34)/t15-/m1/s1"	""	""	""
"3093"	"compound 17 [PMID: 8709131]"	""	"Synthetic organic"	""	""	""	""	"135649716"	"19077556"	""	""	"CHEMBL322868"	""	""	""	""	"3-[2-(4-phenylphenyl)ethyl]-1-azabicyclo[2.2.2]octane"	""	""	"C(C1CN2CCC1CC2)Cc1ccc(cc1)c1ccccc1"	"DZTCLALNSKOSGM-UHFFFAOYSA-N"	"InChI=1S/C21H25N/c1-2-4-18(5-3-1)19-9-6-17(7-10-19)8-11-21-16-22-14-12-20(21)13-15-22/h1-7,9-10,20-21H,8,11-16H2"	""	""	""
"3061"	"compound 17 [Shechter <i>et al</i>., 1996]"	""	"Synthetic organic"	""	""	""	""	"135649799"	"10475079"	""	""	"CHEMBL87862"	""	""	""	""	"4-[dimethyl(9-phenylnonyl)azaniumyl]butane-1-sulfonate"	""	""	"C[N+](CCCCS(=O)(=O)[O-])(CCCCCCCCCc1ccccc1)C"	"MFCJHDHTDIKHEA-UHFFFAOYSA-N"	"InChI=1S/C21H37NO3S/c1-22(2,19-13-14-20-26(23,24)25)18-12-7-5-3-4-6-9-15-21-16-10-8-11-17-21/h8,10-11,16-17H,3-7,9,12-15,18-20H2,1-2H3"	""	""	""
"14132"	"compound 17 [WO2024240153]"	""	"Synthetic organic"	""	""	""	""	"518520759"	"176516524"	""	""	""	""	""	""	""	""	""	""	"CN1CCC[C@H](C1)N2CCCC3=NC=C4N3C2=NN=C4C5=C(O)C=C(C=C5)C(F)(F)F"	"LXBPWEROBDFFIW-CQSZACIVSA-N"	"InChI=1S/C21H23F3N6O/c1-28-8-2-4-14(12-28)29-9-3-5-18-25-11-16-19(26-27-20(29)30(16)18)15-7-6-13(10-17(15)31)21(22,23)24/h6-7,10-11,14,31H,2-5,8-9,12H2,1H3/t14-/m1/s1"	""	""	""
"13005"	"compound 182 [PMID: 37500611]"	""	"Synthetic organic"	""	""	""	""	"485206126"	"155103226"	""	""	""	""	""	""	""	"5-(1-Fluoro-3-hydroxy-7-(3-hydroxy-3-methylbutoxy)naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide"	""	"compound XI [PMID: 37500611]"	"FC1=C(C(=CC2=CC=C(C=C12)OCCC(C)(C)O)O)N3CC(NS3(=O)=O)=O"	"KJYRSQLWJMEJNM-UHFFFAOYSA-N"	"InChI=1S/C17H19FN2O6S/c1-17(2,23)5-6-26-11-4-3-10-7-13(21)16(15(18)12(10)8-11)20-9-14(22)19-27(20,24)25/h3-4,7-8,21,23H,5-6,9H2,1-2H3,(H,19,22)"	"yes"	""	""
"6727"	"compound 18a [PMID: 16242323]"	""	"Synthetic organic"	""	""	""	""	"178103338"	"45263291"	""	""	"CHEMBL558774"	""	""	""	""	"1-[4-(aminomethyl)-2,6-bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride"	""	""	"CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)CN)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl"	"SZCBDIVMCGFVPW-UHFFFAOYSA-N"	"InChI=1S/C33H41N5O3.ClH/c1-7-8-15-38-31-25(13-10-14-35-31)28(23-11-9-12-24(18-23)41-6)30(32(38)39)37-33(40)36-29-26(20(2)3)16-22(19-34)17-27(29)21(4)5;/h9-14,16-18,20-21H,7-8,15,19,34H2,1-6H3,(H2,36,37,40);1H"	""	""	""
"6728"	"compound 18b [PMID: 16242323]"	""	"Synthetic organic"	""	""	""	""	"178103339"	"73755236"	""	""	""	""	""	""	""	"3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]-1-{4-[(dimethylamino)methyl]-2,6-bis(propan-2-yl)phenyl}urea hydrochloride"	""	""	"CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)CN(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl"	"YCGQPIRMLGEWMW-UHFFFAOYSA-N"	"InChI=1S/C35H45N5O3.ClH/c1-9-10-17-40-33-27(15-12-16-36-33)30(25-13-11-14-26(20-25)43-8)32(34(40)41)38-35(42)37-31-28(22(2)3)18-24(21-39(6)7)19-29(31)23(4)5;/h11-16,18-20,22-23H,9-10,17,21H2,1-8H3,(H2,37,38,42);1H"	""	""	""
"10589"	"compound 18c [PMID:19143533]"	""	"Synthetic organic"	""	""	""	""	"404859036"	"11410354"	""	""	"CHEMBL457071"	""	""	""	""	"(S)-6-((1-hydroxy-3-phenylpropan-2-yl)amino)-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)nicotinamide"	""	"BMS compound 1"	"OC[C@@H](Nc1ccc(c(n1)c1cc(OC)c(c(c1)OC)OC)C(=O)NCCOc1ccccc1)Cc1ccccc1"	"FCBOUJYKAGWYQM-DEOSSOPVSA-N"	"InChI=1S/C32H35N3O6/c1-38-27-19-23(20-28(39-2)31(27)40-3)30-26(32(37)33-16-17-41-25-12-8-5-9-13-25)14-15-29(35-30)34-24(21-36)18-22-10-6-4-7-11-22/h4-15,19-20,24,36H,16-18,21H2,1-3H3,(H,33,37)(H,34,35)/t24-/m0/s1"	""	""	""
"9227"	"compound 18c [PMID: 25901531]"	""	"Synthetic organic"	""	""	""	""	"315661302"	"71660551"	""	""	"CHEMBL3426781"	""	""	""	""	"8-(3,5-dichlorophenyl)sulfanyl-9-[3-(propan-2-ylamino)propyl]purin-6-amine"	""	""	"CC(NCCCn1c(Sc2cc(Cl)cc(c2)Cl)nc2c1ncnc2N)C"	"JYSLFQTWNRYWJT-UHFFFAOYSA-N"	"InChI=1S/C17H20Cl2N6S/c1-10(2)21-4-3-5-25-16-14(15(20)22-9-23-16)24-17(25)26-13-7-11(18)6-12(19)8-13/h6-10,21H,3-5H2,1-2H3,(H2,20,22,23)"	"yes"	""	""
"14432"	"compound 18f [PMID: 41819156]"	""	"Synthetic organic"	""	""	""	""	"528429753"	"172537846"	""	""	""	""	""	""	""	"5-[1-(3-chloro-4-fluorophenyl)-7-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methoxy-2,4-dioxopyrido[4,3-d]pyrimidin-3-yl]pyridine-3-carbonitrile"	""	"I-0957"	"COC1=C2C(=CC(=N1)N3CC[C@H](C3)O)N(C(=O)N(C2=O)C4=CN=CC(=C4)C#N)C5=CC(=C(C=C5)F)Cl"	"XTWFARBDMAVOBF-MRXNPFEDSA-N"	"InChI=1S/C24H18ClFN6O4/c1-36-22-21-19(8-20(29-22)30-5-4-16(33)12-30)31(14-2-3-18(26)17(25)7-14)24(35)32(23(21)34)15-6-13(9-27)10-28-11-15/h2-3,6-8,10-11,16,33H,4-5,12H2,1H3/t16-/m1/s1"	""	""	""
"12987"	"compound 18j [PMID: 35446588]"	""	"Synthetic organic"	""	""	""	""	"485206108"	"164887498"	""	""	"CHEMBL5193609"	""	""	""	""	""	""	""	"CCS(=O)(=O)N1C=C2C3=C1C=C(OCCCCCCOC4=CC(NC5=NC2=C(Cl)C=N5)=C(C)C=C4N6CCOCC6)C=C3"	"SOZJLUNPQMFFFL-UHFFFAOYSA-N"	"InChI=1S/C31H36ClN5O5S/c1-3-43(38,39)37-20-24-23-9-8-22(17-27(23)37)41-12-6-4-5-7-13-42-29-18-26(34-31-33-19-25(32)30(24)35-31)21(2)16-28(29)36-10-14-40-15-11-36/h8-9,16-20H,3-7,10-15H2,1-2H3,(H,33,34,35)"	""	""	""
"11735"	"compound 18n [PMID: 34382802]"	""	"Synthetic organic"	""	""	""	""	"458923770"	"150189198"	""	""	""	""	""	""	""	""	""	""	"Clc1ccc(c(c1)C#Cc1c(cc(nc1)C(=O)O)OC)NS(=O)(=O)c1ccc(c2cccnc12)OCC"	"FNBUZGRPJLEIMO-UHFFFAOYSA-N"	"InChI=1S/C26H20ClN3O6S/c1-3-36-22-10-11-24(25-19(22)5-4-12-28-25)37(33,34)30-20-9-8-18(27)13-16(20)6-7-17-15-29-21(26(31)32)14-23(17)35-2/h4-5,8-15,30H,3H2,1-2H3,(H,31,32)"	""	""	""
"6536"	"compound 18 [PMID: 15664838]"	""	"Synthetic organic"	""	""	""	""	"178103150"	"11375559"	""	""	"CHEMBL367368"	""	""	""	""	"2-amino-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione"	""	""	"NC(C(=O)N1Cc2c(C1)cccc2)CC(=O)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F"	"ZKIQFLSGMMYCGS-UHFFFAOYSA-N"	"InChI=1S/C29H30F2N4O2/c30-24-9-5-20(6-10-24)28(21-7-11-25(31)12-8-21)34-15-13-33(14-16-34)27(36)17-26(32)29(37)35-18-22-3-1-2-4-23(22)19-35/h1-12,26,28H,13-19,32H2"	""	""	""
"6443"	"compound 18 [PMID: 17723296]"	""	"Synthetic organic"	""	""	""	""	"178103059"	"24180510"	""	""	"CHEMBL393843"	""	""	""	""	"3-methoxy-5-(7-methylpyrido[2,3-d]pyrimidin-2-yl)benzonitrile"	""	""	"COc1cc(C#N)cc(c1)c1ncc2c(n1)nc(cc2)C"	"NGRPBCOEAPBKCI-UHFFFAOYSA-N"	"InChI=1S/C16H12N4O/c1-10-3-4-12-9-18-15(20-16(12)19-10)13-5-11(8-17)6-14(7-13)21-2/h3-7,9H,1-2H3"	""	""	""
"3212"	"compound 18 [PMID: 17888661]"	""	"Synthetic organic"	""	""	""	""	"135649661"	"56947006"	""	""	""	""	""	""	""	"3-hydroxy-3-methylpentyl phosphanylidenephosphinite"	""	""	"P=POCCC(CC)(O)C"	"QGZAHEYJZLWZDX-UHFFFAOYSA-N"	"InChI=1S/C6H14O2P2/c1-3-6(2,7)4-5-8-10-9/h7,9H,3-5H2,1-2H3"	""	""	""
"3028"	"compound 18 [PMID: 1875346]"	""	"Synthetic organic"	""	""	""	""	"135649676"	"44461899"	""	""	"CHEMBL310463"	""	""	""	""	"(1S,3R,4R,4aR,7S,8S)-4-[(benzylcarbamoyl)oxy]-8-{2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-decahydronaphthalen-1-yl 2,2-dimethylbutanoate"	""	""	"CCC(C(=O)O[C@H]1C[C@@H](C)[C@H]([C@H]2C1[C@@H](CCC1C[C@@H](O)CC(=O)O1)[C@H](CC2)C)OC(=O)NCc1ccccc1)(C)C"	"ZUURLVDIZFDZJT-UQLLKHDVSA-N"	"InChI=1S/C33H49NO7/c1-6-33(4,5)31(37)40-27-16-21(3)30(41-32(38)34-19-22-10-8-7-9-11-22)26-14-12-20(2)25(29(26)27)15-13-24-17-23(35)18-28(36)39-24/h7-11,20-21,23-27,29-30,35H,6,12-19H2,1-5H3,(H,34,38)/t20-,21+,23+,24?,25-,26+,27-,29?,30+/m0/s1"	""	""	""
"3071"	"compound 18 [PMID: 18754614]"	""	"Synthetic organic"	""	""	""	""	"135649691"	"25108235"	""	""	"CHEMBL524003"	""	""	""	""	"2-[4-(4-bromophenyl)phenyl]-4-methyl-octahydro-2H-1,4-benzoxazin-2-ol"	""	""	"CN1CC(O)(OC2C1CCCC2)c1ccc(cc1)c1ccc(cc1)Br"	"CFDRWKHPJHJISG-UHFFFAOYSA-N"	"InChI=1S/C21H24BrNO2/c1-23-14-21(24,25-20-5-3-2-4-19(20)23)17-10-6-15(7-11-17)16-8-12-18(22)13-9-16/h6-13,19-20,24H,2-5,14H2,1H3"	""	""	""
"8191"	"compound 18 [PMID: 20873740]"	""	"Synthetic organic"	""	""	""	""	"249565871"	"24809764"	""	""	"CHEMBL1270230"	""	""	""	""	"5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide"	""	""	"Nc1nccc(n1)c1[nH]c(c(c1)C(=O)N)c1ccccc1"	"VOQXQYXTZZHYBF-UHFFFAOYSA-N"	"InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)"	""	""	""
"6442"	"compound 18 [PMID: 21927650]"	""	"Synthetic organic"	""	""	""	""	"178103058"	"73755222"	""	""	""	""	""	""	""	"3-fluoro-5-(2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl)benzonitrile"	""	""	"N#Cc1cc(F)cc(c1)c1ccc2c(c1)NC(S2)C"	"DUFLWBPOXGXKEK-UHFFFAOYSA-N"	"InChI=1S/C15H11FN2S/c1-9-18-14-7-11(2-3-15(14)19-9)12-4-10(8-17)5-13(16)6-12/h2-7,9,18H,1H3"	""	""	""
"11157"	"compound 18 [PMID: 32330443]"	""	"Synthetic organic"	""	""	""	""	"434122217"	"154699452"	""	""	""	""	""	""	""	"(E)-4-(8-hydroxy-2,2-dimethyl-4,7-dioxo-1,2,5,7-tetrahydro-1,5-methanofuro[2,3-d]xanthen-3a(4H)-yl)-2-methylbut-2-en-1-yl nicotinate"	""	""	"C/C(=C\CC12OC(C3C42Oc2cccc(c2C(=O)C4=CC(C1=O)C3)O)(C)C)/COC(=O)c1cccnc1"	"ZSOFJUIAJLLJBK-CXUHLZMHSA-N"	"InChI=1S/C29H27NO7/c1-16(15-35-26(34)17-6-5-11-30-14-17)9-10-28-25(33)18-12-19-24(32)23-20(31)7-4-8-21(23)36-29(19,28)22(13-18)27(2,3)37-28/h4-9,11-12,14,18,22,31H,10,13,15H2,1-3H3/b16-9+"	""	""	""
"11595"	"compound 18 [PMID: 34212719]"	""	"Synthetic organic"	""	""	""	""	"442878629"	"156587558"	""	""	""	""	""	""	""	"4-(6-((4-Ethynylpyrimidin-2-yl)Ethynyl)-1H-Benzo[d]Imidazol-1-yl)Pyrimidin-2-Amine"	""	""	"C#Cc1ccnc(n1)C#Cc1ccc2c(c1)n(cn2)c1ccnc(n1)N"	"WHGGGFMSJFAYSV-UHFFFAOYSA-N"	"InChI=1S/C19H11N7/c1-2-14-7-9-21-17(24-14)6-4-13-3-5-15-16(11-13)26(12-23-15)18-8-10-22-19(20)25-18/h1,3,5,7-12H,(H2,20,22,25)"	""	""	""
"13109"	"compound 18 [PMID: 38090813]"	""	"Synthetic organic"	""	""	""	""	"491299891"	"169171740"	""	""	""	""	""	""	""	"(2S,4R)-N-[(3S)-5-amino-5-oxopent-1-yn-3-yl]-4-fluoro-1-[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide"	""	""	"F[C@H]1CN([C@@H](C1)C(=O)N[C@@H](CC(=O)N)C#C)C(=O)C2(CC2)C3=CC=C(C=C3)OC(F)(F)F"	"WXTJCPHELGTTJU-FMKPAKJESA-N"	"InChI=1S/C21H21F4N3O4/c1-2-14(10-17(26)29)27-18(30)16-9-13(22)11-28(16)19(31)20(7-8-20)12-3-5-15(6-4-12)32-21(23,24)25/h1,3-6,13-14,16H,7-11H2,(H2,26,29)(H,27,30)/t13-,14-,16+/m1/s1"	""	""	""
"14114"	"compound 18 [PMID: 40773370]"	""	"Synthetic organic"	""	""	""	""	"518520741"	"167254618"	""	""	""	""	""	""	""	"N-[(1R)-2-[[(2S)-3-cyclobutyl-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-cyclopentyl-2-oxoethyl]-2,2-dimethylpropanamide"	""	"compound 102 [WO2022265577]"	"O=C(NC1CC1)C([C@@H](NC([C@@H](N(C)C([C@@H](C2CCCC2)NC(C(C)(C)C)=O)=O)CC3CCC3)=O)C[C@H]4C(NCCC4)=O)=O"	"JSTYPRJETNBSEZ-BELIEFIBSA-N"	"InChI=1S/C32H51N5O6/c1-32(2,3)31(43)36-25(20-11-5-6-12-20)30(42)37(4)24(17-19-9-7-10-19)28(40)35-23(18-21-13-8-16-33-27(21)39)26(38)29(41)34-22-14-15-22/h19-25H,5-18H2,1-4H3,(H,33,39)(H,34,41)(H,35,40)(H,36,43)/t21-,23-,24-,25+/m0/s1"	""	""	""
"2961"	"compound 18 [PMID: 8426367]"	""	"Synthetic organic"	""	""	""	""	"135649644"	"44354270"	""	""	"CHEMBL133434"	""	""	""	""	"1-[(2R,5S,11S,14R,15R)-5-hydroxy-2,6,6,15-tetramethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-11-yl]ethan-1-one"	""	""	"CC(CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1C2=CCC2[C@]1(C)CC[C@@H](C2(C)C)O)C(=O)C)C)C"	"DZMAIPFWPZZKSY-MBDGPJGJSA-N"	"InChI=1S/C31H52O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-21,23-24,26-27,33H,9-11,13-19H2,1-8H3/t21-,23-,24?,26?,27+,29-,30-,31-/m1/s1"	""	""	""
"14157"	"compound 18-S4 [PMID: 31413801]"	""	"Peptide"	""	""	""	""	"518520784"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2996"	"compound 18t [PMID: 8246237]"	""	"Synthetic organic"	""	""	""	""	"135649761"	"56947034"	""	""	"CHEMBL122674"	""	""	""	""	"(3R,5S,6E)-7-[2-(4-fluorophenyl)-7-[(4-phenylphenyl)methyl]-4,5,6,7-tetrahydro-2H-indazol-3-yl]-3,5-dihydroxyhept-6-enoate"	""	""	"O[C@@H](C[C@H](CC(=O)[O-])O)/C=C/c1c2CCCC(c2nn1c1ccc(cc1)F)Cc1ccc(cc1)c1ccccc1"	"LRLBHWLNEJHHLJ-CDTDMYBXSA-M"	"InChI=1S/C33H33FN2O4/c34-26-13-15-27(16-14-26)36-31(18-17-28(37)20-29(38)21-32(39)40)30-8-4-7-25(33(30)35-36)19-22-9-11-24(12-10-22)23-5-2-1-3-6-23/h1-3,5-6,9-18,25,28-29,37-38H,4,7-8,19-21H2,(H,39,40)/p-1/b18-17+/t25?,28-,29-/m1/s1"	""	""	""
"8186"	"compound 19a [PMID: 21855335]"	""	"Synthetic organic"	""	""	""	""	"249565866"	"56675928"	""	""	"CHEMBL1836842"	""	""	""	""	"[2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(2,2-dimethylpiperazin-1-yl)methanone"	""	""	"Clc1cc(ccc1C(=O)N1CCNCC1(C)C)Nc1nc(cn2c1ncc2c1c[nH]nc1)C1CC1"	"MEQKJTZVPMNRIL-UHFFFAOYSA-N"	"InChI=1S/C25H27ClN8O/c1-25(2)14-27-7-8-34(25)24(35)18-6-5-17(9-19(18)26)31-22-23-28-12-21(16-10-29-30-11-16)33(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,27H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32)"	""	""	""
"6977"	"compound 19a [PMID: 24359159]"	""	"Synthetic organic"	""	""	""	""	"178103556"	"45275255"	""	""	"CHEMBL3116050"	""	""	""	""	"2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)- 7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine"	""	""	"Fc1cnc(nc1)[C@@H](Nc1nc(Nc2ncn(c2)C)c2c(n1)[nH]cc2)C"	"QHXBWJSQXSYAGG-VIFPVBQESA-N"	"InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1"	""	""	""
"9842"	"compound 19a [PMID: 26506089]"	""	"Synthetic organic"	""	""	""	""	"363894136"	"86292328"	""	""	"CHEMBL3741938"	""	""	""	""	"[4-[(E)-4-[[(2S)-1-[(2S)-2-[(4-iodophenyl)-phenylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobut-2-en-2-yl]phenyl] dihydrogen phosphate"	""	""	"Ic1ccc(cc1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)/C=C(/c1ccc(cc1)OP(=O)(O)O)\C)c1ccccc1"	"CGLGRSOJPUXNFA-YVXBOAIISA-N"	"InChI=1S/C33H37IN3O7P/c1-22(23-12-18-27(19-13-23)44-45(41,42)43)21-29(38)35-30(33(2,3)4)32(40)36-20-8-11-28(36)31(39)37(25-9-6-5-7-10-25)26-16-14-24(34)15-17-26/h5-7,9-10,12-19,21,28,30H,8,11,20H2,1-4H3,(H,35,38)(H2,41,42,43)/b22-21+/t28-,30+/m0/s1"	"yes"	""	""
"10181"	"compound 19a [PMID: 30503936]"	""	"Synthetic organic"	""	""	""	""	"381118891"	"137321162"	""	""	""	""	""	""	""	""	""	""	"CCN1CCN(CC1)CCCOc1cc2nccc(c2cc1OC)Oc1c(F)cc(cc1F)NC(=O)NN1C(=O)CSC1c1c(F)cccc1F"	"GZVQZLVAKXRTHU-UHFFFAOYSA-N"	"InChI=1S/C35H36F4N6O5S/c1-3-43-11-13-44(14-12-43)10-5-15-49-30-19-27-22(18-29(30)48-2)28(8-9-40-27)50-33-25(38)16-21(17-26(33)39)41-35(47)42-45-31(46)20-51-34(45)32-23(36)6-4-7-24(32)37/h4,6-9,16-19,34H,3,5,10-15,20H2,1-2H3,(H2,41,42,47)"	""	""	""
"12610"	"compound 19b [PMID: 37058391]"	""	"Synthetic organic"	""	""	""	""	"479821400"	"167993666"	""	""	""	""	""	""	""	"(S)-(R)-3-(3,4-Dimethoxyphenyl)-1-(3-(2-morpholinoethoxy)phenyl)propyl-1-((S)-2-(5-chlorothiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxylate"	""	""	"COC=1C=C(C=CC1OC)CC[C@@H](C2=CC(=CC=C2)OCCN3CCOCC3)OC(=O)[C@@H]4N(CCCC4)C([C@H](C5=CC(=C(C(=C5)OC)OC)OC)C=6SC(=CC6)Cl)=O"	"YNEIEJWJOCHOPA-PURUWSQVSA-N"	"InChI=1S/C44H53ClN2O10S/c1-50-35-15-13-29(25-36(35)51-2)12-14-34(30-9-8-10-32(26-30)56-24-21-46-19-22-55-23-20-46)57-44(49)33-11-6-7-18-47(33)43(48)41(39-16-17-40(45)58-39)31-27-37(52-3)42(54-5)38(28-31)53-4/h8-10,13,15-17,25-28,33-34,41H,6-7,11-12,14,18-24H2,1-5H3/t33-,34+,41-/m1/s1"	""	""	""
"3211"	"compound 19 [PMID: 17888661]"	""	"Synthetic organic"	""	""	""	""	"135649660"	"56947005"	""	""	""	""	""	""	""	"3-hydroxy-3,4-dimethylpentyl phosphanylidenephosphinite"	""	""	"P=POCCC(C(C)C)(O)C"	"VODAHBTZSLKFBN-UHFFFAOYSA-N"	"InChI=1S/C7H16O2P2/c1-6(2)7(3,8)4-5-9-11-10/h6,8,10H,4-5H2,1-3H3"	""	""	""
"3074"	"compound 19 [PMID: 18754614]"	""	"Synthetic organic"	""	""	""	""	"135649722"	"25108303"	""	""	"CHEMBL494913"	""	""	""	""	"3-[4-(4-bromophenyl)phenyl]-octahydropyrido[2,1-c]morpholin-3-ol"	""	""	"Brc1ccc(cc1)c1ccc(cc1)C1(O)OCC2N(C1)CCCC2"	"IFRLXVCJEQULMZ-UHFFFAOYSA-N"	"InChI=1S/C20H22BrNO2/c21-18-10-6-16(7-11-18)15-4-8-17(9-5-15)20(23)14-22-12-2-1-3-19(22)13-24-20/h4-11,19,23H,1-3,12-14H2"	""	""	""
"3193"	"compound 19 [PMID: 18800762]"	""	"Synthetic organic"	""	""	""	""	"135649686"	"25023868"	""	""	"CHEMBL493443"	""	""	""	""	"{2-[3-(decyloxy)phenyl]-1-hydroxy-1-phosphonoethyl}phosphonic acid"	""	""	"CCCCCCCCCCOc1cccc(c1)CC(P(=O)(O)O)(P(=O)(O)O)O"	"MHLLAPRPDYGFFU-UHFFFAOYSA-N"	"InChI=1S/C18H32O8P2/c1-2-3-4-5-6-7-8-9-13-26-17-12-10-11-16(14-17)15-18(19,27(20,21)22)28(23,24)25/h10-12,14,19H,2-9,13,15H2,1H3,(H2,20,21,22)(H2,23,24,25)"	""	""	""
"6256"	"compound 19 [PMID: 18812259]"	""	"Synthetic organic"	""	""	""	""	"178102876"	"73755202"	""	""	""	""	""	""	""	"(1R,5S,6S)-6-{[(3-chlorophenyl)methoxy]methyl}-3-({1-methyl-1H-imidazo[4,5-b]pyridin-2-yl}methyl)-3-azabicyclo[3.1.0]hexane"	""	""	"Clc1cccc(c1)COC[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1nc2c(n1C)cccn2"	"TYMQEQIUYIJHBZ-PIIMJCKOSA-N"	"InChI=1S/C21H23ClN4O/c1-25-19-6-3-7-23-21(19)24-20(25)11-26-9-16-17(10-26)18(16)13-27-12-14-4-2-5-15(22)8-14/h2-8,16-18H,9-13H2,1H3/t16-,17+,18+"	""	""	""
"3124"	"compound 19 [PMID: 19191557]"	""	"Synthetic organic"	""	""	""	""	"135649794"	"56947058"	""	""	"CHEMBL1208007"	""	""	""	""	"4-(9-ethyl-9H-carbazol-3-yl)-1-phosphonatobutane-1-sulfonate"	""	""	"CCn1c2ccc(cc2c2c1cccc2)CCCC(S(=O)(=O)[O-])P(=O)([O-])[O-]"	"ZZMVEURNXXVJQQ-UHFFFAOYSA-K"	"InChI=1S/C18H22NO6PS/c1-2-19-16-8-4-3-7-14(16)15-12-13(10-11-17(15)19)6-5-9-18(26(20,21)22)27(23,24)25/h3-4,7-8,10-12,18H,2,5-6,9H2,1H3,(H2,20,21,22)(H,23,24,25)/p-3"	""	""	""
"8758"	"compound 19 [PMID: 22142545]"	""	"Synthetic organic"	""	""	""	""	"252827416"	"44243146"	""	""	"CHEMBL1939914"	""	""	""	""	"4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]morpholine"	""	""	"COc1cc(C)c2c(c1)c(CN1CCOCC1)c1c(n2)n[nH]c1C"	"UBGXXNXAPLUDQK-UHFFFAOYSA-N"	"InChI=1S/C18H22N4O2/c1-11-8-13(23-3)9-14-15(10-22-4-6-24-7-5-22)16-12(2)20-21-18(16)19-17(11)14/h8-9H,4-7,10H2,1-3H3,(H,19,20,21)"	""	""	""
"11615"	"compound 19 [PMID: 33786375]"	""	"Synthetic organic"	""	""	""	""	"442878649"	"156587560"	""	""	""	""	""	""	""	"5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione"	""	""	"Clc1cc(cc(c1F)OCc1ccccc1Cl)c1cc(cn(c1=O)c1cccnc1)c1cn(C)c(=O)[nH]c1=O"	"KIJKUSPNZALBLD-UHFFFAOYSA-N"	"InChI=1S/C28H19Cl2FN4O4/c1-34-14-21(26(36)33-28(34)38)18-9-20(27(37)35(13-18)19-6-4-8-32-12-19)17-10-23(30)25(31)24(11-17)39-15-16-5-2-3-7-22(16)29/h2-14H,15H2,1H3,(H,33,36,38)"	""	""	""
"11543"	"compound 19 [PMID: 33979649]"	""	"Synthetic organic"	""	""	""	""	"441604915"	"155925847"	""	""	""	""	""	""	""	"N-{3-fluoro-5-[({1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidin-4-yl}formamido)methyl]phenyl}-4-methylpiperazine-1-carboxamide"	""	""	"CN1CCN(CC1)C(=O)Nc1cc(CNC(=O)C2CCN(CC2)[C@@H](c2cccc3c2cccc3)C)cc(c1)F"	"ZGUISYSWQQIAHK-JOCHJYFZSA-N"	"InChI=1S/C31H38FN5O2/c1-22(28-9-5-7-24-6-3-4-8-29(24)28)36-12-10-25(11-13-36)30(38)33-21-23-18-26(32)20-27(19-23)34-31(39)37-16-14-35(2)15-17-37/h3-9,18-20,22,25H,10-17,21H2,1-2H3,(H,33,38)(H,34,39)/t22-/m1/s1"	""	""	""
"12838"	"compound 19 [PMID: 34347470]"	""	"Synthetic organic"	""	""	""	""	"483123386"	"156026026"	""	""	"CHEMBL5092270"	""	""	""	""	"2-(benzotriazol-1-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-N-(thiophen-3-ylmethyl)acetamide"	""	""	"O=C(CN1N=NC2=CC=CC=C12)N(CC3=CSC=C3)C4=CC=C(C=C4)C5=CNN=C5"	"PYVQFTGANJRGEP-UHFFFAOYSA-N"	"InChI=1S/C22H18N6OS/c29-22(14-28-21-4-2-1-3-20(21)25-26-28)27(13-16-9-10-30-15-16)19-7-5-17(6-8-19)18-11-23-24-12-18/h1-12,15H,13-14H2,(H,23,24)"	""	""	""
"11903"	"compound 19 [PMID: 35142215]"	""	"Synthetic organic"	""	""	""	""	"461663458"	"162679543"	""	""	""	""	""	""	""	"2-(2-chlorophenyl)-7-(isoquinolin-4-yl)-5,7-diazaspiro[3.4]octane-6,8-dione"	""	""	"Clc1c(cccc1)C1CC2(C1)NC(=O)N(C2=O)c1c2ccccc2cnc1"	"XQFMLNUPNCXPRN-UHFFFAOYSA-N"	"InChI=1S/C21H16ClN3O2/c22-17-8-4-3-6-15(17)14-9-21(10-14)19(26)25(20(27)24-21)18-12-23-11-13-5-1-2-7-16(13)18/h1-8,11-12,14H,9-10H2,(H,24,27)"	""	""	""
"12105"	"compound 19 [PMID: 35925768]"	""	"Synthetic organic"	""	""	""	""	"472319227"	"154642303"	""	""	""	""	""	""	""	"N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide"	""	""	"CCn1c(=O)n(nc1CO)c1nc(O[C@@H](C)C(F)(F)F)c(cc1F)C(=O)Nc1c(C)ccnc1Cl"	"XEDJGCIOZDHXOR-JTQLQIEISA-N"	"InChI=1S/C20H19ClF4N6O4/c1-4-30-13(8-32)29-31(19(30)34)16-12(22)7-11(18(28-16)35-10(3)20(23,24)25)17(33)27-14-9(2)5-6-26-15(14)21/h5-7,10,32H,4,8H2,1-3H3,(H,27,33)/t10-/m0/s1"	""	""	""
"3112"	"compound 19 [PMID: 7473541]"	""	"Synthetic organic"	""	""	""	""	"135649740"	"10662370"	""	""	"CHEMBL134337"	""	""	""	""	"3-(prop-2-en-1-yl)-4-{3-[(propan-2-yl)amino]propoxy}phenyl propanoate"	""	""	"C=CCc1cc(ccc1OCCCNC(C)C)OC(=O)CC"	"TYOWLIKQVJJCEX-UHFFFAOYSA-N"	"InChI=1S/C18H27NO3/c1-5-8-15-13-16(22-18(20)6-2)9-10-17(15)21-12-7-11-19-14(3)4/h5,9-10,13-14,19H,1,6-8,11-12H2,2-4H3"	""	""	""
"8892"	"compound 19 [PMID: 7707314]"	""	"Synthetic organic"	""	""	""	""	"310264673"	"10460355"	""	""	"CHEMBL13935"	""	""	""	""	""	""	""	"CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4cnc(cc4c(c3Cn1c2=O)C)Br"	"WBLBIGPXRKCBEI-FQEVSTJZSA-N"	"InChI=1S/C20H16BrN3O4/c1-3-20(27)13-5-15-17-11(7-24(15)18(25)12(13)8-28-19(20)26)9(2)10-4-16(21)22-6-14(10)23-17/h4-6,27H,3,7-8H2,1-2H3/t20-/m0/s1"	""	""	""
"8569"	"compound 19 [PMID: 8831774]"	""	"Synthetic organic"	""	""	""	""	"252166770"	"44353781"	""	""	"CHEMBL130506"	""	""	""	""	"benzyl N-[1-[[1-[(2-hydroxy-2-phenylethyl)amino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate"	""	"Z-Leu-Abu-CONH-CH2-CHOH-Ph"	"CCC(C(=O)C(=O)NCC(c1ccccc1)O)NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C"	"CZZWUFZBGQIPTE-UHFFFAOYSA-N"	"InChI=1S/C27H35N3O6/c1-4-21(24(32)26(34)28-16-23(31)20-13-9-6-10-14-20)29-25(33)22(15-18(2)3)30-27(35)36-17-19-11-7-5-8-12-19/h5-14,18,21-23,31H,4,15-17H2,1-3H3,(H,28,34)(H,29,33)(H,30,35)"	""	""	""
"9013"	"compound 19y [Kiss <i>et al</i>., 2011]"	""	"Synthetic organic"	""	""	""	""	"310264791"	"90665948"	""	""	"CHEMBL3218814"	""	""	""	""	"5-(4-chlorophenoxy)-3-(3,4-dihydroxyphenyl)-1,3,4-oxadiazol-2-one"	""	""	"Clc1ccc(cc1)Oc1oc(=O)n(n1)c1ccc(c(c1)O)O"	"NLWUQNVDUOHGIP-UHFFFAOYSA-N"	"InChI=1S/C14H9ClN2O5/c15-8-1-4-10(5-2-8)21-13-16-17(14(20)22-13)9-3-6-11(18)12(19)7-9/h1-7,18-19H"	""	""	""
"6514"	"compound 1a [PMID: 15055993]"	""	"Synthetic organic"	""	""	""	""	"178103128"	"9910222"	""	""	"CHEMBL61193"	""	""	""	""	"(2R,3R,4R,5S)-N,3,4,5-tetrahydroxy-1-[4-(phenoxy)phenyl]sulfonylpiperidine-2-carboxamide"	""	""	"ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](CN1S(=O)(=O)c1ccc(cc1)Oc1ccccc1)O"	"WLWNRAWQDZRXMB-YLFCFFPRSA-N"	"InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1"	""	""	""
"2833"	"compound 1a [PMID: 17556356]"	""	"Synthetic organic"	""	""	""	""	"135650147"	"16122612"	""	""	"CHEMBL478524"	""	""	""	""	"1-cyclohexyl-N-[[1-(4-methylphenyl)indol-3-yl]methyl]methanamine"	""	""	"Cc1ccc(cc1)n1cc(c2c1cccc2)CNCC1CCCCC1"	"MMIJMYOYKAKQPN-UHFFFAOYSA-N"	"InChI=1S/C23H28N2/c1-18-11-13-21(14-12-18)25-17-20(22-9-5-6-10-23(22)25)16-24-15-19-7-3-2-4-8-19/h5-6,9-14,17,19,24H,2-4,7-8,15-16H2,1H3"	""	""	""
"8872"	"compound 1a [PMID: 18573659]"	""	"Synthetic organic"	""	""	""	""	"252827529"	"24893978"	""	""	"CHEMBL495075"	""	""	""	""	"N-[(3S)-1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]pyrrolidin-3-yl]-3,4-dichlorobenzamide"	""	""	"Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl"	"SXVZDDYARZWATR-KRWDZBQOSA-N"	"InChI=1S/C23H26BrCl2N3O2/c24-19-11-15(1-4-22(19)31-18-5-8-27-9-6-18)13-29-10-7-17(14-29)28-23(30)16-2-3-20(25)21(26)12-16/h1-4,11-12,17-18,27H,5-10,13-14H2,(H,28,30)/t17-/m0/s1"	""	""	""
"2987"	"compound 1a [PMID: 2153213]"	""	"Synthetic organic"	""	""	""	""	"135649765"	"56947037"	""	""	""	""	""	""	""	"(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxyhept-6-enoate"	""	""	"O[C@H](C[C@@H](/C=C/c1c(cn(c1C)c1ccccc1)c1ccc(cc1)F)O)CC(=O)[O-]"	"FQMQFMROIGKGDU-LKWCPCFXSA-M"	"InChI=1S/C24H24FNO4/c1-16-22(12-11-20(27)13-21(28)14-24(29)30)23(17-7-9-18(25)10-8-17)15-26(16)19-5-3-2-4-6-19/h2-12,15,20-21,27-28H,13-14H2,1H3,(H,29,30)/p-1/b12-11+/t20-,21-/m1/s1"	""	""	""
"8881"	"compound 1a [PMID: 23597791]"	""	"Synthetic organic"	""	""	""	""	"252827538"	"16019476"	""	""	"CHEMBL1394231"	""	""	""	""	""	""	""	"CCc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(NCc1cccs1)c1c2ccs1"	"UYFZCWXRMHSLTC-UHFFFAOYSA-N"	"InChI=1S/C20H17N5O2S3/c1-2-13-5-7-15(8-6-13)30(26,27)20-19-22-18(21-12-14-4-3-10-28-14)17-16(9-11-29-17)25(19)24-23-20/h3-11H,2,12H2,1H3,(H,21,22)"	""	""	""
"7799"	"compound 1a [PMID: 24900311]"	""	"Synthetic organic"	""	""	""	""	"223366130"	"86277840"	""	""	""	""	""	""	""	"1-[(3,5-dimethoxybenzoyl)amino]-3-naphthalen-2-ylurea"	""	""	"COc1cc(OC)cc(c1)C(=O)NNC(=O)Nc1ccc2c(c1)cccc2"	"IFQNPGNCFXITTG-UHFFFAOYSA-N"	"InChI=1S/C20H19N3O4/c1-26-17-10-15(11-18(12-17)27-2)19(24)22-23-20(25)21-16-8-7-13-5-3-4-6-14(13)9-16/h3-12H,1-2H3,(H,22,24)(H2,21,23,25)"	""	""	""
"8128"	"compound 1a [PMID: 24900749]"	""	"Synthetic organic"	""	""	""	""	"249565808"	"72163809"	""	""	"CHEMBL2409175"	""	""	""	""	"N-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]acetamide"	""	""	"N#Cc1cnn2c1nc(Nc1ccc(c(c1)NC(=O)C)C)cc2NC1CC1"	"GDSQVLMYYCNAGP-UHFFFAOYSA-N"	"InChI=1S/C19H19N7O/c1-11-3-4-15(7-16(11)22-12(2)27)23-17-8-18(24-14-5-6-14)26-19(25-17)13(9-20)10-21-26/h3-4,7-8,10,14,24H,5-6H2,1-2H3,(H,22,27)(H,23,25)"	""	""	""
"9091"	"compound 1a [PMID: 25692029]"	""	"Synthetic organic"	""	""	""	""	"315661176"	"5478838"	""	""	""	""	""	""	""	"(2S)-2-[[(2S)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]methyl]-3-(4-phenylphenyl)propanoyl]amino]propanoic acid"	""	""	"C[C@@H](C(=O)O)NC(=O)[C@@H](CP(=O)([C@@H](N)C)O)Cc1ccc(cc1)c1ccccc1"	"CWJPVKSBGVPXRD-QMTMVMCOSA-N"	"InChI=1S/C21H27N2O5P/c1-14(21(25)26)23-20(24)19(13-29(27,28)15(2)22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t14-,15+,19+/m0/s1"	""	""	""
"13994"	"compound 1a [PMID: 27184081]"	""	"Synthetic organic"	""	""	""	""	"518520621"	"928340"	""	""	""	""	""	""	""	"4-[4-(4-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol"	""	""	"CCOC1=CC=C(OC2=C(C)NN=C2C3=C(O)C=C(O)C=C3)C=C1"	"FTAMKKMCMPITAD-UHFFFAOYSA-N"	"InChI=1S/C18H18N2O4/c1-3-23-13-5-7-14(8-6-13)24-18-11(2)19-20-17(18)15-9-4-12(21)10-16(15)22/h4-10,21-22H,3H2,1-2H3,(H,19,20)"	""	""	""
"11928"	"compound 1a [WO2021204952A1]"	""	"Synthetic organic"	""	""	""	""	"461663483"	"157022436"	""	""	""	""	""	""	""	"(3S,4S)-N-(3-cyano-4-fluorophenyl)-3-(6-cyclopropyloxypyridin-3-yl)-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinoline-4-carboxamide"	""	""	"C1CC1Oc1ncc(cc1)[C@@H]1[C@H](c2ccccc2C(=O)N1CC(F)(F)F)C(=O)Nc1cc(c(cc1)F)C#N"	"KYICPNWURYGJCB-BJKOFHAPSA-N"	"InChI=1S/C27H20F4N4O3/c28-21-9-6-17(11-16(21)12-32)34-25(36)23-19-3-1-2-4-20(19)26(37)35(14-27(29,30)31)24(23)15-5-10-22(33-13-15)38-18-7-8-18/h1-6,9-11,13,18,23-24H,7-8,14H2,(H,34,36)/t23-,24+/m0/s1"	""	"yes"	""
"8613"	"compound 1b [PMID: 16290936]"	""	"Synthetic organic"	""	""	""	""	"252166814"	"44343301"	""	""	"CHEMBL114161"	""	""	""	""	"[(2S)-1-phenylpropan-2-yl] N-[(2S)-1-oxohexan-2-yl]carbamate"	""	""	"CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C)C=O"	"WNKGMQLRHKONID-ZFWWWQNUSA-N"	"InChI=1S/C16H23NO3/c1-3-4-10-15(12-18)17-16(19)20-13(2)11-14-8-6-5-7-9-14/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H,17,19)/t13-,15-/m0/s1"	""	""	""
"8627"	"compound 1b [PMID: 18078750]"	""	"Synthetic organic"	""	""	""	""	"252166827"	"44377139"	""	""	"CHEMBL163454"	""	""	""	""	"(2S)-3-(4-phenylphenyl)-2-[[(2R)-3-phenyl-2-sulfanylpropanoyl]amino]propanoic acid"	""	""	"S[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)c1ccccc1)Cc1ccccc1"	"BNECOBGISSOLPT-FCHUYYIVSA-N"	"InChI=1S/C24H23NO3S/c26-23(22(29)16-17-7-3-1-4-8-17)25-21(24(27)28)15-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h1-14,21-22,29H,15-16H2,(H,25,26)(H,27,28)/t21-,22+/m0/s1"	""	""	""
"13028"	"compound 1b [PMID: 37562607]"	""	"Synthetic organic"	""	""	""	""	"485206149"	"169422757"	""	""	""	""	""	""	""	"(2Z,5E)-6-[1-(4-fluorophenyl)-1H-indol-3-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid"	""	""	"OC(=O)\C(\O)=C\C(=O)/C=C/C1=CN(C2=C1C=CC=C2)C3=CC=C(F)C=C3"	"FQSWOIXHKCZYHN-SLUXBFJISA-N"	"InChI=1S/C20H14FNO4/c21-14-6-8-15(9-7-14)22-12-13(17-3-1-2-4-18(17)22)5-10-16(23)11-19(24)20(25)26/h1-12,24H,(H,25,26)/b10-5+,19-11-"	""	""	""
"8794"	"compound 1b [PMID: 9871762]"	""	"Synthetic organic"	""	""	""	""	"252827452"	"10457630"	""	""	"CHEMBL281025"	""	""	""	""	"N-[2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenoxy]ethyl]-N-methylthiophene-2-sulfonamide"	""	""	"CCN(Cc1cccc(c1)OCCN(S(=O)(=O)c1cccs1)C)C/C=C/C#CC(C)(C)C"	"NEIYCJCCYGTVNA-VQHVLOKHSA-N"	"InChI=1S/C25H34N2O3S2/c1-6-27(16-9-7-8-15-25(2,3)4)21-22-12-10-13-23(20-22)30-18-17-26(5)32(28,29)24-14-11-19-31-24/h7,9-14,19-20H,6,16-18,21H2,1-5H3/b9-7+"	""	""	""
"3105"	"compound 1c [Brown <i>et al.</i>, 1997]"	""	"Synthetic organic"	""	""	""	""	"135650241"	"44275230"	""	""	"CHEMBL24362"	""	""	""	""	"ethyl 3-[4-(2-{3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl}ethynyl)-3-(prop-2-en-1-yl)phenyl]propanoate"	""	""	"CCOC(=O)CCc1ccc(c(c1)CC=C)C#CC1(O)CN2CCC1CC2"	"FBPJEWKDFUWVKV-UHFFFAOYSA-N"	"InChI=1S/C23H29NO3/c1-3-5-20-16-18(7-9-22(25)27-4-2)6-8-19(20)10-13-23(26)17-24-14-11-21(23)12-15-24/h3,6,8,16,21,26H,1,4-5,7,9,11-12,14-15,17H2,2H3"	""	""	""
"10574"	"compound 1 [Cruz-L&oacute;pez <i>et al</i>., 2019]"	""	"Synthetic organic"	""	""	""	""	"404859021"	"145996517"	""	""	""	""	""	""	""	""	""	""	"N1CCN(CC1)c1ccc(cn1)c1nn2c3c1cnc(n3)NCc1nnn(c1)Cc1ccc(Cn3cc(C2)nn3)cc1"	"PXBYPIWEYSTETR-UHFFFAOYSA-N"	"InChI=1S/C28H28N14/c1-3-20-4-2-19(1)14-40-16-22(34-37-40)12-31-28-32-13-24-26(21-5-6-25(30-11-21)39-9-7-29-8-10-39)36-42(27(24)33-28)18-23-17-41(15-20)38-35-23/h1-6,11,13,16-17,29H,7-10,12,14-15,18H2,(H,31,32,33)"	""	""	""
"8123"	"compound 1d [PMID: 21493067]"	""	"Synthetic organic"	""	""	""	""	"249565803"	"53232451"	""	""	"CHEMBL1774056"	""	""	""	""	"5-fluoro-2-{[1-(5-fluoropyridin-2-yl)ethyl]amino}-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile"	""	""	"N#Cc1cc(F)c(nc1N[C@H](c1ccc(cn1)F)C)Nc1n[nH]c(c1)C"	"HIHOEGPXVVKJPP-JTQLQIEISA-N"	"InChI=1S/C17H15F2N7/c1-9-5-15(26-25-9)23-17-13(19)6-11(7-20)16(24-17)22-10(2)14-4-3-12(18)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1"	""	""	""
"3089"	"compound 1e [Brown <i>et al</i>., 1997]"	""	"Synthetic organic"	""	""	""	""	"135650589"	"44370557"	""	""	"CHEMBL345611"	""	""	""	""	"methyl 4-[4-(2-{3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl}ethynyl)-3-(prop-2-en-1-yl)phenyl]butanoate"	""	""	"C=CCc1cc(CCCC(=O)OC)ccc1C#CC1(O)CN2CCC1CC2"	"HHTIXSHHLJGQCQ-UHFFFAOYSA-N"	"InChI=1S/C23H29NO3/c1-3-5-20-16-18(6-4-7-22(25)27-2)8-9-19(20)10-13-23(26)17-24-14-11-21(23)12-15-24/h3,8-9,16,21,26H,1,4-7,11-12,14-15,17H2,2H3"	""	""	""
"2991"	"compound 1e [PMID: 2153213]"	""	"Synthetic organic"	""	""	""	""	"135649762"	"56947035"	""	""	"CHEMBL1205862"	""	""	""	""	"(3R,5S,6E)-7-[4-(4-fluorophenyl)-1,2-bis(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyhept-6-enoate"	""	""	"O[C@H](C[C@@H](/C=C/c1c(C(C)C)n(cc1c1ccc(cc1)F)C(C)C)O)CC(=O)[O-]"	"JNPGUXGVLNJQSQ-BGGMYYEUSA-M"	"InChI=1S/C23H30FNO4/c1-14(2)23-20(10-9-18(26)11-19(27)12-22(28)29)21(13-25(23)15(3)4)16-5-7-17(24)8-6-16/h5-10,13-15,18-19,26-27H,11-12H2,1-4H3,(H,28,29)/p-1/b10-9+/t18-,19-/m1/s1"	""	""	""
"9550"	"compound 1e [PMID: 27285276]"	""	"Synthetic organic"	""	""	""	""	"336446936"	"6861534"	""	""	"CHEMBL2235152"	""	""	""	""	"N-[(4-chlorophenyl)methylideneamino]benzamide"	""	""	"Clc1ccc(cc1)/C=N/NC(=O)c1ccccc1"	"YJGPDMQKIPQVLX-MHWRWJLKSA-N"	"InChI=1S/C14H11ClN2O/c15-13-8-6-11(7-9-13)10-16-17-14(18)12-4-2-1-3-5-12/h1-10H,(H,17,18)/b16-10+"	""	""	""
"2990"	"compound 1f [PMID: 2153213]"	""	"Synthetic organic"	""	""	""	""	"135649763"	"44374901"	""	""	"CHEMBL1205894"	""	""	""	""	"(3R,5S,6E)-7-[4-(4-fluorophenyl)-1-phenyl-2-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyhept-6-enoate"	""	""	"O[C@H](C[C@@H](/C=C/c1c(cn(c1C(C)C)c1ccccc1)c1ccc(cc1)F)O)CC(=O)O"	"VAVHMEQFYYBAPR-ITWZMISCSA-N"	"InChI=1S/C26H28FNO4/c1-17(2)26-23(13-12-21(29)14-22(30)15-25(31)32)24(18-8-10-19(27)11-9-18)16-28(26)20-6-4-3-5-7-20/h3-13,16-17,21-22,29-30H,14-15H2,1-2H3,(H,31,32)/b13-12+/t21-,22-/m1/s1"	""	""	""
"6722"	"compound 1 [Gotteland <i>et al</i>., 1997]"	""	"Synthetic organic"	""	""	""	""	"178103333"	"44270471"	""	""	"CHEMBL16178"	""	""	""	""	"ethyl(3-phenylprop-2-yn-1-yl)[(3-{[4-(thiophen-3-yl)thiophen-2-yl]methoxy}phenyl)methyl]amine"	""	""	"CCN(Cc1cccc(c1)OCc1scc(c1)c1cscc1)CC#Cc1ccccc1"	"GZVZWBOHPHLQFU-UHFFFAOYSA-N"	"InChI=1S/C27H25NOS2/c1-2-28(14-7-11-22-8-4-3-5-9-22)18-23-10-6-12-26(16-23)29-19-27-17-25(21-31-27)24-13-15-30-20-24/h3-6,8-10,12-13,15-17,20-21H,2,14,18-19H2,1H3"	""	""	""
"8835"	"compound 1j [PMID: 26314925]"	""	"Synthetic organic"	""	""	""	""	"252827492"	"91938094"	""	""	""	""	""	""	""	"N-[(4-bromophenyl)methyl]-2-{4-[(2-phenylethyl)sulfamoyl]phenoxy}acetamide"	""	""	"O=C(NCc1ccc(cc1)Br)COc1ccc(cc1)S(=O)(=O)NCCc1ccccc1"	"CZAFIFBJBFDMTP-UHFFFAOYSA-N"	"InChI=1S/C23H23BrN2O4S/c24-20-8-6-19(7-9-20)16-25-23(27)17-30-21-10-12-22(13-11-21)31(28,29)26-15-14-18-4-2-1-3-5-18/h1-13,26H,14-17H2,(H,25,27)"	""	""	""
"12104"	"compound 1k [PMID: 35912476]"	""	"Synthetic organic"	""	""	""	""	"472319226"	"165368930"	""	""	""	""	""	""	""	"(R)-1-(3-(4-Amino-3-(1-(2,2-difluoro-2-phenylethyl)-1H-1,2,3-triazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one"	""	""	"Nc1c2c(ncn1)n(nc2c1nnn(c1)CC(c1ccccc1)(F)F)[C@H]1CN(CCC1)C(=O)C=C"	"DGJMHKMYSDYOFP-MRXNPFEDSA-N"	"InChI=1S/C23H23F2N9O/c1-2-18(35)32-10-6-9-16(11-32)34-22-19(21(26)27-14-28-22)20(30-34)17-12-33(31-29-17)13-23(24,25)15-7-4-3-5-8-15/h2-5,7-8,12,14,16H,1,6,9-11,13H2,(H2,26,27,28)/t16-/m1/s1"	""	""	""
"10344"	"compound 1 [Lolli <i>et al</i>., 2019]"	""	"Synthetic organic"	""	""	""	""	"381745025"	"137553175"	""	""	""	""	""	""	""	"4-[(1-benzoyl-5-methoxy-2-methyl-1H-indol-3-yl)methyl]-1,2,5-oxadiazol-3-ol"	""	""	"COc1ccc2c(c1)c(Cc1nonc1O)c(n2C(=O)c1ccccc1)C"	"DKXLGDJKCXEKTB-UHFFFAOYSA-N"	"InChI=1S/C20H17N3O4/c1-12-15(11-17-19(24)22-27-21-17)16-10-14(26-2)8-9-18(16)23(12)20(25)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,22,24)"	""	""	""
"8810"	"compound 1l [PMID: 16644217]"	""	"Synthetic organic"	""	""	""	""	"252827468"	"44413322"	""	""	"CHEMBL209855"	""	""	""	""	"[(E)-hept-2-enyl] 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate"	""	""	"CCCC/C=C/COC(=O)C1=C(C)NC(=O)NC1c1ccc(cc1)[N+](=O)[O-]"	"BEXZJJQVPWJPOA-VOTSOKGWSA-N"	"InChI=1S/C19H23N3O5/c1-3-4-5-6-7-12-27-18(23)16-13(2)20-19(24)21-17(16)14-8-10-15(11-9-14)22(25)26/h6-11,17H,3-5,12H2,1-2H3,(H2,20,21,24)/b7-6+"	""	""	""
"8143"	"compound 1o [PMID: 24210504]"	""	"Synthetic organic"	""	""	""	""	"249565823"	"44256277"	""	""	"CHEMBL3093151"	""	""	""	""	"5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrrolidin-1-yl-1,3-benzoxazol-2-yl)pyridin-2-amine"	""	""	"Nc1ncc(cc1c1nc2c(o1)cc(cc2)N1CCCC1)c1cnn(c1)C1CCNCC1"	"MWVKLRSIDOXBSE-UHFFFAOYSA-N"	"InChI=1S/C24H27N7O/c25-23-20(24-29-21-4-3-19(12-22(21)32-24)30-9-1-2-10-30)11-16(13-27-23)17-14-28-31(15-17)18-5-7-26-8-6-18/h3-4,11-15,18,26H,1-2,5-10H2,(H2,25,27)"	""	""	""
"3065"	"compound 1 [Overhand <i>et al</i>., 1997]"	""	"Synthetic organic"	""	""	""	""	"135649735"	"19956992"	""	""	"CHEMBL86513"	""	""	""	""	"[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trien-1-yl]phosphonate"	""	""	"C/C(=C\CC/C(=C/CC(P(=O)([O-])[O-])P(=O)([O-])[O-])/C)/CCC=C(C)C"	"QBAOBDKNTDWTHR-YFVJMOTDSA-J"	"InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,11,16H,5-6,8,10,12H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/p-4/b14-9+,15-11+"	""	""	""
"3009"	"compound 1 [Patel <i>et al</i>., 1991]"	""	"Synthetic organic"	""	""	""	""	"135649747"	"15663484"	""	""	"CHEMBL151437"	""	""	""	""	"(3R,5R)-7-[(1S,2S,3R,6S)-2-{[(2,2-dimethylbutanoyl)oxy]methyl}-6-methyl-3-propylcyclohexyl]-3,5-dihydroxyheptanoic acid"	""	""	"CCC[C@@H]1CC[C@@H]([C@@H]([C@H]1COC(=O)C(CC)(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C"	"OCFSRHVZSAWNAA-LPYKTLRWSA-N"	"InChI=1S/C24H44O6/c1-6-8-17-10-9-16(3)20(12-11-18(25)13-19(26)14-22(27)28)21(17)15-30-23(29)24(4,5)7-2/h16-21,25-26H,6-15H2,1-5H3,(H,27,28)/t16-,17+,18+,19+,20-,21-/m0/s1"	""	""	""
"6541"	"compound 1 [PMID: 10498202]"	""	"Synthetic organic"	""	""	""	""	"178103155"	"9876120"	""	""	"CHEMBL81927"	""	""	""	""	"2-bromo-N-[(2S,3S)-4-[2-(2,4-dichlorophenyl)ethyl-[3-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-3-hydroxy-1-[3-(phenoxy)phenyl]butan-2-yl]-4,5-dimethoxybenzamide"	""	""	"COc1cc(Br)c(cc1OC)C(=O)N[C@H]([C@H](CN(C(=O)CCN1C(=O)c2c(C1=O)cccc2)CCc1ccc(cc1Cl)Cl)O)Cc1cccc(c1)Oc1ccccc1"	"DQHKQRXAVNDAFY-UWXQCODUSA-N"	"InChI=1S/C44H40BrCl2N3O8/c1-56-39-24-34(35(45)25-40(39)57-2)42(53)48-37(22-27-9-8-12-31(21-27)58-30-10-4-3-5-11-30)38(51)26-49(19-17-28-15-16-29(46)23-36(28)47)41(52)18-20-50-43(54)32-13-6-7-14-33(32)44(50)55/h3-16,21,23-25,37-38,51H,17-20,22,26H2,1-2H3,(H,48,53)/t37-,38-/m0/s1"	""	""	""
"6542"	"compound 1 [PMID: 11425539]"	""	"Synthetic organic"	""	""	""	""	"178103156"	"10038543"	""	""	"CHEMBL47394"	""	""	""	""	"1,3-bis(phenylmethyl)-1,3-diazetidine-2,4-dione"	""	""	"O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1"	"PGIXYPNBNAOYHW-UHFFFAOYSA-N"	"InChI=1S/C16H14N2O2/c19-15-17(11-13-7-3-1-4-8-13)16(20)18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2"	""	""	""
"7507"	"compound 1 [PMID: 15724976]"	""	"Synthetic organic"	""	""	""	""	"187051809"	"5276852"	""	""	"CHEMBL3220205"	""	""	""	""	"3-[(2-nitrophenyl)amino]propylazanium"	""	""	"[NH3+]CCCNc1ccccc1[N+](=O)[O-]"	"GVGDDEYVTBKACE-UHFFFAOYSA-O"	"InChI=1S/C9H13N3O2/c10-6-3-7-11-8-4-1-2-5-9(8)12(13)14/h1-2,4-5,11H,3,6-7,10H2/p+1"	""	""	""
"6552"	"compound 1 [PMID: 16650987]"	""	"Synthetic organic"	""	""	""	""	"178103166"	"135450157"	""	""	""	""	""	""	""	"2-[3-(5-carbamimidoyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-5-{5-[(carbamoylamino)methyl]-2-hydroxyphenyl}-4-oxocyclohexa-1,5-dien-1-yl]butanedioic acid"	""	""	"NC(=O)NCc1ccc(c(c1)C1=CC(=C/C(=c/2\[nH]c3c([nH]2)ccc(c3)C(=N)N)/C1=O)C(C(=O)O)CC(=O)O)O"	"VPCHMCAFZYYMSK-JJIBRWJFSA-N"	"InChI=1S/C26H24N6O7/c27-23(28)12-2-3-18-19(8-12)32-24(31-18)17-7-13(14(25(37)38)9-21(34)35)6-16(22(17)36)15-5-11(1-4-20(15)33)10-30-26(29)39/h1-8,14,31-33H,9-10H2,(H3,27,28)(H,34,35)(H,37,38)(H3,29,30,39)/b24-17+"	""	""	""
"8873"	"compound 1 [PMID: 16821802]"	""	"Synthetic organic"	""	""	""	""	"252827530"	"11624321"	""	""	"CHEMBL463223"	""	""	""	""	"1-[[(2R,4R)-2-[2-(4-chlorophenyl)ethyl]-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole"	""	"imidazole-dioxolane 1"	"C[C@@H]1CO[C@@](O1)(CCc1ccc(cc1)Cl)Cn1cncc1"	"PUVVRSXPYYFNAP-CZUORRHYSA-N"	"InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m1/s1"	""	""	""
"6526"	"compound 1 [PMID: 17935984]"	""	"Synthetic organic"	""	""	""	""	"178103140"	"657061"	""	""	"CHEMBL222002"	""	""	""	""	"5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]-1,3-diazinane-2,4,6-trione"	""	""	"CCOCCC1(Oc2ccc(cc2)Oc2ccc(cc2)F)C(=O)NC(=O)NC1=O"	"XRSYNYGEEYTXJV-UHFFFAOYSA-N"	"InChI=1S/C20H19FN2O6/c1-2-27-12-11-20(17(24)22-19(26)23-18(20)25)29-16-9-7-15(8-10-16)28-14-5-3-13(21)4-6-14/h3-10H,2,11-12H2,1H3,(H2,22,23,24,25,26)"	""	""	""
"8673"	"compound 1 [PMID: 18507370]"	""	"Synthetic organic"	""	""	""	""	"252166873"	"136045796"	""	""	"CHEMBL487942"	""	""	""	""	"(6E)-6-[(2E)-2-(1H-quinolin-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one"	""	""	"Oc1ccccc1/C=C\c1ccc2c(n1)cccc2"	"NXNDEWNGCMCWMA-BENRWUELSA-N"	"InChI=1S/C17H13NO/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15/h1-12,19H/b12-10-"	""	""	""
"2975"	"compound 1 [PMID: 1895299]"	""	"Synthetic organic"	""	""	""	""	"135649783"	"56947047"	""	""	"CHEMBL1207599"	""	""	""	""	"(3S,5R)-7-[(1S,2S,6R,8R)-2,6-dimethyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate"	""	""	"CC[C@@H](C(=O)O[C@@H]1C[C@@H](C)C=C2C1[C@@H](CC[C@H](C[C@@H](CC(=O)[O-])O)O)[C@H](C=C2)C)C"	"QLJODMDSTUBWDW-VPUMEXOFSA-M"	"InChI=1S/C24H38O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28)/p-1/t14-,15-,16-,18+,19-,20-,21+,23?/m0/s1"	""	""	""
"14669"	"compound 1 [PMID: 19233845]"	""	"Synthetic organic"	""	""	""	""	"530846917"	"11497282"	""	""	"CHEMBL4063482"	""	""	""	""	"5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-hexylamino]-2-hydroxybenzoic acid"	""	"RTP Type O inhibitor Pi"	"C(CCC)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)CN(C=3C=CC(=C(C(=O)O)C3)O)CCCCCC"	"FQMKKDYJAKJVRO-UHFFFAOYSA-N"	"InChI=1S/C32H37NO3/c1-3-5-7-8-22-33(29-20-21-31(34)30(23-29)32(35)36)24-28-18-16-27(17-19-28)15-14-26-12-10-25(11-13-26)9-6-4-2/h10-13,16-21,23,34H,3-9,22,24H2,1-2H3,(H,35,36)"	"yes"	""	""
"8181"	"compound 1 [PMID: 20005102]"	""	"Synthetic organic"	""	""	""	""	"249565861"	"46225540"	""	""	"CHEMBL593490"	""	""	""	""	"5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)pyridin-3-yl}-3-methyl-2H-indazole"	""	""	"N[C@@H](Cc1c[nH]c2c1cccc2)COc1cnc(c(c1)c1ccc2c(c1)c(C)[nH]n2)c1cocc1"	"XONRTPBYDAFIRW-NRFANRHFSA-N"	"InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1"	""	""	""
"5819"	"compound 1 [PMID: 20080612]"	""	"Synthetic organic"	""	""	""	""	"178102444"	"673766"	""	""	"CHEMBL1578948"	""	""	""	""	"ethyl 2-(furan-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophene-3-carboxylate"	""	"BAS 00486818"	"CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccco1"	"SCIMXCMXGZZKTB-UHFFFAOYSA-N"	"InChI=1S/C17H19NO4S/c1-2-21-17(20)14-11-7-4-3-5-9-13(11)23-16(14)18-15(19)12-8-6-10-22-12/h6,8,10H,2-5,7,9H2,1H3,(H,18,19)"	""	""	""
"5745"	"compound 1 [PMID: 21273063]"	""	"Synthetic organic"	""	""	""	""	"178102371"	"54580880"	""	""	"CHEMBL1770918"	""	""	""	""	"tert-butyl 4-[1-(pyridin-3-yl)piperidin-4-yl]piperidine-1-carboxylate"	""	""	"O=C(N1CCC(CC1)C1CCN(CC1)c1cccnc1)OC(C)(C)C"	"CRZGKAWVJIDZPZ-UHFFFAOYSA-N"	"InChI=1S/C20H31N3O2/c1-20(2,3)25-19(24)23-13-8-17(9-14-23)16-6-11-22(12-7-16)18-5-4-10-21-15-18/h4-5,10,15-17H,6-9,11-14H2,1-3H3"	""	""	""
"8190"	"compound 1 [PMID: 21742770]"	""	"Synthetic organic"	""	""	""	""	"249565870"	"71452170"	""	""	"CHEMBL2203524"	""	""	""	""	"N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[3,4-b]pyridin-6-amine"	""	""	"COc1cc(ccc1N1CCN(CC1)C)Nc1ccc2c(n1)n(nc2)c1ccc(cc1)OC"	"LZQFMCFJCXQTTG-UHFFFAOYSA-N"	"InChI=1S/C25H28N6O2/c1-29-12-14-30(15-13-29)22-10-5-19(16-23(22)33-3)27-24-11-4-18-17-26-31(25(18)28-24)20-6-8-21(32-2)9-7-20/h4-11,16-17H,12-15H2,1-3H3,(H,27,28)"	""	""	""
"8831"	"compound 1 [PMID: 21882820]"	""	"Synthetic organic"	""	""	""	""	"252827488"	"2765033"	""	""	"CHEMBL1403981"	""	""	""	""	"3-[(3,4-dichlorophenyl)methylsulfanyl]thiophene-2-carboxylic acid"	""	""	"OC(=O)c1sccc1SCc1ccc(c(c1)Cl)Cl"	"UCHDVTOVFHVWOS-UHFFFAOYSA-N"	"InChI=1S/C12H8Cl2O2S2/c13-8-2-1-7(5-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16)"	""	""	""
"5743"	"compound 1 [PMID: 21939274]"	""	"Synthetic organic"	""	""	""	""	"178102369"	"73755151"	""	""	""	""	""	""	""	"propan-2-yl 4-[3-cyano-5-(quinoxalin-6-yl)pyridin-2-yl]piperazine-1-carboxylate"	""	""	"N#Cc1cc(cnc1N1CCN(CC1)C(=O)OC(C)C)c1ccc2c(c1)nccn2"	"UVINGSLSDLUGKX-UHFFFAOYSA-N"	"InChI=1S/C22H22N6O2/c1-15(2)30-22(29)28-9-7-27(8-10-28)21-17(13-23)11-18(14-26-21)16-3-4-19-20(12-16)25-6-5-24-19/h3-6,11-12,14-15H,7-10H2,1-2H3"	""	""	""
"6236"	"compound 1 [PMID: 22465637]"	""	"Synthetic organic"	""	""	""	""	"178102857"	"73755198"	""	""	""	""	""	""	""	"4-(1-phenylpyrazolidin-4-yl)quinoline"	""	""	"c1ccc(cc1)N1NCC(C1)c1ccnc2c1cccc2"	"KQNXOSZPTJGHDO-UHFFFAOYSA-N"	"InChI=1S/C18H17N3/c1-2-6-15(7-3-1)21-13-14(12-20-21)16-10-11-19-18-9-5-4-8-17(16)18/h1-11,14,20H,12-13H2"	""	""	""
"6709"	"compound 1 [PMID: 22533316]"	""	"Synthetic organic"	""	""	""	""	"178103320"	"44570860"	""	""	"CHEMBL481608"	""	""	""	""	"[(4-{4-[(4-bromophenyl)carbonyl]phenyl}phenyl)methyl](methyl)(prop-2-en-1-yl)amine hydrochloride"	""	""	"C=CCN(Cc1ccc(cc1)c1ccc(cc1)C(=O)c1ccc(cc1)Br)C.Cl"	"MCMDJJBPNGLKKM-UHFFFAOYSA-N"	"InChI=1S/C24H22BrNO.ClH/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22;/h3-15H,1,16-17H2,2H3;1H"	""	""	""
"7032"	"compound 1 [PMID: 22795084]"	""	"Synthetic organic"	""	""	""	""	"178103611"	"53346504"	""	""	"CHEMBL2325441"	""	""	""	""	"3-(1,2,3-benzothiadiazol-6-yl)-1-[2-(cyclohex-1-en-1-yl)ethyl]urea"	""	"compound 1 (allosteric)"	"O=C(Nc1ccc2c(c1)snn2)NCCC1=CCCCC1"	"GGXCUZHEJUJACD-UHFFFAOYSA-N"	"InChI=1S/C15H18N4OS/c20-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)21-19-18-13/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,20)"	""	""	""
"13041"	"compound 1 [PMID: 23113556]"	""	"Synthetic organic"	""	""	""	""	"491299823"	"794091"	""	""	""	""	""	""	""	"(E)-3-[3-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid"	""	"TC AQP1 1"	"O=C(O)/C=C/C1=CC(/C=C/C(O)=O)=CC=C1"	"KRXUBZPHAPGHPE-YDFGWWAZSA-N"	"InChI=1S/C12H10O4/c13-11(14)6-4-9-2-1-3-10(8-9)5-7-12(15)16/h1-8H,(H,13,14)(H,15,16)/b6-4+,7-5+"	""	""	""
"6488"	"compound 1 [PMID: 23589301]"	""	"Synthetic organic"	""	""	""	""	"178103102"	"67209274"	""	""	""	""	""	""	""	"3-{cyclopropyl[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]carbamoyl}-4-phenylbutanoic acid"	""	""	"OC(=O)CC(C(=O)N(c1scc(n1)c1cc(Cl)ccc1Cl)C1CC1)Cc1ccccc1"	"LCRQPJWEPVZEBE-UHFFFAOYSA-N"	"InChI=1S/C23H20Cl2N2O3S/c24-16-6-9-19(25)18(12-16)20-13-31-23(26-20)27(17-7-8-17)22(30)15(11-21(28)29)10-14-4-2-1-3-5-14/h1-6,9,12-13,15,17H,7-8,10-11H2,(H,28,29)"	""	""	""
"8218"	"compound 1 [PMID: 24793884]"	""	"Synthetic organic"	""	""	""	""	"249565898"	"135761798"	""	""	"CHEMBL3261228"	""	""	""	""	"ethyl 4-hydroxy-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate"	""	""	"CCOC(=O)c1sc(nc1O)c1ccncc1"	"SHVRAFGUKKOKIO-UHFFFAOYSA-N"	"InChI=1S/C11H10N2O3S/c1-2-16-11(15)8-9(14)13-10(17-8)7-3-5-12-6-4-7/h3-6,14H,2H2,1H3"	""	""	""
"7870"	"compound 1 [PMID: 24900526]"	""	"Synthetic organic"	""	""	""	""	"249565575"	"893637"	""	""	"CHEMBL1335679"	""	""	""	""	"2-[(4-phenylphenyl)sulfonylamino]acetic acid"	""	""	"OC(=O)CNS(=O)(=O)c1ccc(cc1)c1ccccc1"	"ZIAFXLGSGMQYPL-UHFFFAOYSA-N"	"InChI=1S/C14H13NO4S/c16-14(17)10-15-20(18,19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)"	""	""	""
"7800"	"compound 1 [PMID: 24900608]"	""	"Synthetic organic"	""	""	""	""	"223366131"	"73211886"	""	""	"CHEMBL3092413"	""	""	""	""	"6-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile"	""	""	"N#Cc1ccc(nc1)N1CCN(CC1)Cc1cn2c(n1)ccc(c2)Cl"	"UGDJVSURAKMIPU-UHFFFAOYSA-N"	"InChI=1S/C18H17ClN6/c19-15-2-4-18-22-16(13-25(18)11-15)12-23-5-7-24(8-6-23)17-3-1-14(9-20)10-21-17/h1-4,10-11,13H,5-8,12H2"	""	""	""
"9092"	"compound 1 [PMID: 24930776]"	""	"Synthetic organic"	""	""	""	""	"315661177"	"6817797"	""	""	""	""	""	""	""	"6-[(Z)-2-(2,4-diaminophenyl)diazen-1-yl]-3-[(E)-2-{4-[(E)-2-(2,4-diaminophenyl)diazen-1-yl]-3-sulfophenyl}diazen-1-yl]-4-hydroxynaphthalene-2-sulfonic acid"	""	"DB36"	"Nc1ccc(c(c1)N)/N=N\c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(c(c1)S(=O)(=O)O)/N=N/c1ccc(cc1N)N"	"ADRMADAIKSWNOR-GOCYIQQKSA-N"	"InChI=1S/C28H24N10O7S2/c29-15-2-6-22(20(31)10-15)35-33-17-4-1-14-9-26(47(43,44)45)27(28(39)19(14)12-17)38-34-18-5-8-24(25(13-18)46(40,41)42)37-36-23-7-3-16(30)11-21(23)32/h1-13,39H,29-32H2,(H,40,41,42)(H,43,44,45)/b35-33-,37-36+,38-34+"	"yes"	""	""
"7801"	"compound 1 [PMID: 25241924]"	""	"Peptide"	""	""	""	""	"223366132"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7809"	"compound 1 [PMID: 25408830]"	""	"Synthetic organic"	""	""	""	""	"223366140"	"1091852"	""	""	"CHEMBL1487662"	""	""	""	""	"1,3-dimethyl-2-oxobenzimidazole-5-carboxamide"	""	"BAS 08314227"	"NC(=O)c1ccc2c(c1)n(C)c(=O)n2C"	"BRBLVCVSNVSPMT-UHFFFAOYSA-N"	"InChI=1S/C10H11N3O2/c1-12-7-4-3-6(9(11)14)5-8(7)13(2)10(12)15/h3-5H,1-2H3,(H2,11,14)"	""	""	""
"8302"	"compound 1 [PMID: 25719566]"	""	"Synthetic organic"	""	""	""	""	"252166514"	"50967109"	""	""	""	""	""	""	""	"4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]benzonitrile"	""	""	"N#Cc1ccc(cc1)c1n(cnc1c1ccccc1)CCn1nnc(c1)C"	"OAPIWVHFYSEARE-UHFFFAOYSA-N"	"InChI=1S/C21H18N6/c1-16-14-27(25-24-16)12-11-26-15-23-20(18-5-3-2-4-6-18)21(26)19-9-7-17(13-22)8-10-19/h2-10,14-15H,11-12H2,1H3"	""	""	""
"12222"	"compound 1 [PMID: 26055709]"	""	"Synthetic organic"	""	""	""	""	"472319342"	"146047124"	""	""	""	""	""	""	""	"3-[5-bromo-6-[(2R,3R)-2-(4-fluorophenyl)-3-(hydroxymethyl)morpholine-4-carbonyl]-1-methylbenzimidazol-2-yl]-1-ethylindole-6-carbonitrile"	""	"PDE12-IN-1"	"CCn1cc(c2c1cc(cc2)C#N)c1nc2c(n1C)cc(c(c2)Br)C(=O)N1CCO[C@@H]([C@H]1CO)c1ccc(cc1)F"	"YWMAQKQMUXYMAZ-FQLXRVMXSA-N"	"InChI=1S/C31H27BrFN5O3/c1-3-37-16-23(21-9-4-18(15-34)12-26(21)37)30-35-25-14-24(32)22(13-27(25)36(30)2)31(40)38-10-11-41-29(28(38)17-39)19-5-7-20(33)8-6-19/h4-9,12-14,16,28-29,39H,3,10-11,17H2,1-2H3/t28-,29-/m1/s1"	""	""	""
"11930"	"compound 1 [PMID: 28379944]"	""	"Synthetic organic"	""	""	""	""	"461663485"	"15780052"	""	""	"CHEMBL289472"	""	""	""	""	"N-benzyl-N-[2-ethyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]thiophene-2-carboxamide"	""	"compound 13 [Glinka <i>et al</i>., 1994)|L-161,638|L-161638"	"CCc1nc2c(cc(cc2)N(Cc2ccccc2)C(=O)c2cccs2)c(=O)n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1"	"KDPHUUTUDFDLBT-UHFFFAOYSA-N"	"InChI=1S/C36H29N7O2S/c1-2-33-37-31-19-18-27(42(22-24-9-4-3-5-10-24)36(45)32-13-8-20-46-32)21-30(31)35(44)43(33)23-25-14-16-26(17-15-25)28-11-6-7-12-29(28)34-38-40-41-39-34/h3-21H,2,22-23H2,1H3,(H,38,39,40,41)"	""	""	""
"9673"	"compound 1 [PMID: 28611375]"	""	"Synthetic organic"	""	""	""	""	"348353632"	"2898484"	""	""	""	""	""	""	""	"N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzenesulfonamide"	""	""	"O=C(N1CCN(CC1)Cc1ccccc1)CN(S(=O)(=O)c1ccccc1)c1cccc(c1C)Cl"	"QTYHUADZOPIUME-UHFFFAOYSA-N"	"InChI=1S/C26H28ClN3O3S/c1-21-24(27)13-8-14-25(21)30(34(32,33)23-11-6-3-7-12-23)20-26(31)29-17-15-28(16-18-29)19-22-9-4-2-5-10-22/h2-14H,15-20H2,1H3"	"yes"	""	""
"10493"	"compound 1 [PMID: 31465224]"	""	"Synthetic organic"	""	""	""	""	"387065575"	"139593556"	""	""	""	""	""	""	""	"N-(4-{3-[2-(methylcarbamoyl)ethyl]-5-[4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]-1H-pyrazol-1-yl}phenyl)prop-2-ynamide"	""	""	"CNC(=O)CCc1nn(c(c1)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)NC(=O)C#C"	"UOGAVVINOTWELT-UHFFFAOYSA-N"	"InChI=1S/C29H23F3N4O2/c1-3-27(37)34-23-12-15-25(16-13-23)36-26(18-24(35-36)14-17-28(38)33-2)21-6-4-19(5-7-21)20-8-10-22(11-9-20)29(30,31)32/h1,4-13,15-16,18H,14,17H2,2H3,(H,33,38)(H,34,37)"	""	""	""
"10481"	"compound 1 [PMID: 31477924]"	""	"Synthetic organic"	""	""	""	""	"385612240"	"139030530"	""	""	""	""	""	""	""	""	""	""	"Cc1ccc2c(c1C#Cc1cnc3n1nccc3)onc2Nc1cccc(c1)C(F)(F)F"	"GDBAAUWGHRTFSE-UHFFFAOYSA-N"	"InChI=1S/C23H14F3N5O/c1-14-7-9-19-21(18(14)10-8-17-13-27-20-6-3-11-28-31(17)20)32-30-22(19)29-16-5-2-4-15(12-16)23(24,25)26/h2-7,9,11-13H,1H3,(H,29,30)"	"yes"	""	""
"11447"	"compound 1 [PMID: 33547286]"	""	"Synthetic organic"	""	""	""	""	"440816816"	"155491009"	""	""	""	""	""	""	""	"N-[2-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]phenyl]ethyl]-2-(triazol-2-yl)benzamide"	""	""	"COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)CCNC(=O)c1ccccc1n1nccn1)c1cccc(c1)C(=O)N(C)C"	"AMTAVIZAVFJXIJ-UHFFFAOYSA-N"	"InChI=1S/C33H32N6O5S/c1-38(2)33(41)26-10-7-9-24(21-26)25-14-15-30(44-3)31(22-25)45(42,43)37-27-11-6-8-23(20-27)16-17-34-32(40)28-12-4-5-13-29(28)39-35-18-19-36-39/h4-15,18-22,37H,16-17H2,1-3H3,(H,34,40)"	""	""	""
"11709"	"compound 1 [PMID: 33929818]"	""	"Synthetic organic"	""	""	""	""	"442878735"	"139327267"	""	""	""	""	""	""	""	"4-[3-cyano-3-(1-methylcyclopropyl)-2-oxopyrrolidin-1-yl]-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methylpyridine-2-carboxamide"	""	""	"N#CC1(CCN(C1=O)c1cc(C)nc(c1)C(=O)NCc1cc(F)cc(c1)c1cnn(c1)C)C1(C)CC1"	"PFICVJYRZDMEIX-UHFFFAOYSA-N"	"InChI=1S/C27H27FN6O2/c1-17-8-22(34-7-6-27(16-29,25(34)36)26(2)4-5-26)12-23(32-17)24(35)30-13-18-9-19(11-21(28)10-18)20-14-31-33(3)15-20/h8-12,14-15H,4-7,13H2,1-3H3,(H,30,35)"	""	"yes"	""
"11835"	"compound 1 [PMID: 34210738]"	""	"Synthetic organic"	""	""	""	""	"461663391"	"162679532"	""	""	""	""	""	""	""	"Phenylmethyl-d2((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)pentan-2-yl)carbamate"	""	""	"c1(ccccc1)C([2H])([2H])OC(=O)N[C@H](C(=O)N[C@H](C=O)C[C@H]1C(=O)NCC1)CC(C)C"	"QYENXTYKACLCGO-UIWACHPISA-N"	"InChI=1S/C21H29N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,12,14,16-18H,8-11,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1/i13D2"	""	""	""
"11845"	"compound 1 [PMID: 34917254]"	""	"Synthetic organic"	""	""	""	""	"461663401"	"162641050"	""	""	""	""	""	""	""	"methyl (4-(4-amino-5-(5-amino-4-chloro-2-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)bicyclo[ 2.2.2]octan-1-yl)carbamate"	""	""	"Nc1c2c(ncn1)n(cc2c1c(cc(c(c1)N)Cl)F)C12CCC(CC1)(CC2)NC(=O)OC"	"FJTQBVRKZLEDPK-UHFFFAOYSA-N"	"InChI=1S/C22H24ClFN6O2/c1-32-20(31)29-21-2-5-22(6-3-21,7-4-21)30-10-13(17-18(26)27-11-28-19(17)30)12-8-16(25)14(23)9-15(12)24/h8-11H,2-7,25H2,1H3,(H,29,31)(H2,26,27,28)"	""	""	""
"14406"	"compound 1 [PMID: 36902093]"	""	"Synthetic organic"	""	""	""	""	"523352198"	"177924595"	""	""	""	""	""	""	""	"2-(6,8-dibromo-3-(4-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinazolin-2-yl)phenol"	""	""	"BrC=1C=C2CN(C(NC2=C(C1)Br)C3=C(C=CC=C3)O)C4CCC(CC4)O"	"GLDRPFIUTRTRSJ-UHFFFAOYSA-N"	"InChI=1S/C20H22Br2N2O2/c21-13-9-12-11-24(14-5-7-15(25)8-6-14)20(23-19(12)17(22)10-13)16-3-1-2-4-18(16)26/h1-4,9-10,14-15,20,23,25-26H,5-8,11H2"	""	""	""
"12948"	"compound 1 [PMID: 37741852]"	""	"Synthetic organic"	""	""	""	""	"485206069"	"168510218"	""	""	""	""	""	""	""	"6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide"	""	""	"CCOC1=CC(C)=NC(=N1)N(CCOC)S(=O)(=O)C2=CC=C(NCC3=C(F)C=NC=C3F)N=C2OC"	"APXQLSSVLHYGGM-UHFFFAOYSA-N"	"InChI=1S/C22H26F2N6O5S/c1-5-35-20-10-14(2)27-22(29-20)30(8-9-33-3)36(31,32)18-6-7-19(28-21(18)34-4)26-11-15-16(23)12-25-13-17(15)24/h6-7,10,12-13H,5,8-9,11H2,1-4H3,(H,26,28)"	""	""	""
"13928"	"compound 1 [PMID: 40415551]"	""	"Synthetic organic"	""	""	""	""	"513757613"	"175670509"	""	""	""	""	""	""	""	"(2S)-3-(3-fluorophenyl)-2-[(4-methoxy-1H-indol-2-yl)formamido]-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenoxy]butan-2-yl]propanamide"	""	""	"O=C(C1=CC=2C(OC)=CC=CC2N1)N[C@@H](CC3=CC(F)=CC=C3)C(N[C@H](C(COC4=C(F)C(F)=C(CO)C(F)=C4F)=O)C[C@@H]5CCNC5=O)=O"	"USZSPNRJPLHYAU-RTFZILSDSA-N"	"InChI=1S/C34H31F5N4O7/c1-49-26-7-3-6-21-19(26)13-24(41-21)34(48)43-23(11-16-4-2-5-18(35)10-16)33(47)42-22(12-17-8-9-40-32(17)46)25(45)15-50-31-29(38)27(36)20(14-44)28(37)30(31)39/h2-7,10,13,17,22-23,41,44H,8-9,11-12,14-15H2,1H3,(H,40,46)(H,42,47)(H,43,48)/t17-,22-,23-/m0/s1"	""	""	""
"14584"	"compound 1 [PMID: 42392088]"	""	"Synthetic organic"	""	""	""	""	"530846832"	"167466949"	""	""	""	""	""	""	""	"2-[6-amino-5-[8-[2-(3-piperidin-1-ylprop-1-ynyl)-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol"	""	""	"C=1(C2=NN=C(N)C(N3CC4N(C=5C=C(C#CCN6CCCCC6)N=CC5)C(CC4)C3)=C2)C(O)=CC=CC1"	"VRXPAPUAMHEUAP-UHFFFAOYSA-N"	"InChI=1S/C29H33N7O/c30-29-27(18-26(32-33-29)25-8-2-3-9-28(25)37)35-19-23-10-11-24(20-35)36(23)22-12-13-31-21(17-22)7-6-16-34-14-4-1-5-15-34/h2-3,8-9,12-13,17-18,23-24,37H,1,4-5,10-11,14-16,19-20H2,(H2,30,33)"	""	""	""
"3109"	"compound 1 [PMID: 8496942]"	""	"Synthetic organic"	""	""	""	""	"135650229"	"10409462"	""	""	"CHEMBL158588"	""	""	""	""	"(E)-N-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-N-methyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]methenimidamide"	""	""	"CN(CC/C=C(/CCC=C(C)C)\C)/C=N/C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C"	"PYSOMVKWLNTIIA-IMGWONPXSA-N"	"InChI=1S/C28H48N2/c1-24(2)13-9-15-26(5)17-11-18-28(7)20-21-29-23-30(8)22-12-19-27(6)16-10-14-25(3)4/h13-14,17,19-20,23H,9-12,15-16,18,21-22H2,1-8H3/b26-17+,27-19+,28-20+,29-23+"	""	""	""
"5792"	"compound 1q  [PMID: 18029181]"	""	"Synthetic organic"	""	""	""	""	"178102417"	"135401973"	""	""	"CHEMBL398496"	""	""	""	""	"2-[[4-(6-oxo-4H-quinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid"	""	""	"Oc1ccc2c(c1)ncc(n2)N1CCN(CC1)C(=O)Nc1ccccc1C(=O)O"	"YBFBENHWPRGUMU-UHFFFAOYSA-N"	"InChI=1S/C20H19N5O4/c26-13-5-6-16-17(11-13)21-12-18(22-16)24-7-9-25(10-8-24)20(29)23-15-4-2-1-3-14(15)19(27)28/h1-6,11-12,26H,7-10H2,(H,23,29)(H,27,28)"	""	""	""
"10258"	"compound 1u [PMID: 30245402]"	""	"Synthetic organic"	""	""	""	""	"381744940"	"137553162"	""	""	""	""	""	""	""	"4-[[[2-(cyclohexylamino)-2-oxoethyl]-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide"	""	""	"ONC(=O)c1ccc(cc1)CN(C(=O)c1ccc(cc1)C(C)C)CC(=O)NC1CCCCC1"	"HZYLVYNCWLAIGF-UHFFFAOYSA-N"	"InChI=1S/C26H33N3O4/c1-18(2)20-12-14-22(15-13-20)26(32)29(17-24(30)27-23-6-4-3-5-7-23)16-19-8-10-21(11-9-19)25(31)28-33/h8-15,18,23,33H,3-7,16-17H2,1-2H3,(H,27,30)(H,28,31)"	""	"yes"	""
"9895"	"compound 1 [Vakkeel <i>et al.</i>, 2018]"	""	"Synthetic organic"	""	""	""	""	"363894189"	"133081967"	""	""	""	""	""	""	""	""	""	""	"[N-]=[N+]=NCCCOc1cc(C)c(c(c1)C)C(=O)NC(C(=O)OC(C(c1cc(OC)c(cc1[N+](=O)[O-])OC)C)C)CNC(=O)CNC(=O)c1cccc(c1)NC(=N)N"	"CCIKYPZLPYEMFX-UHFFFAOYSA-N"	"InChI=1S/C37H46N10O10/c1-20-13-26(56-12-8-11-43-46-40)14-21(2)33(20)35(50)45-28(18-41-32(48)19-42-34(49)24-9-7-10-25(15-24)44-37(38)39)36(51)57-23(4)22(3)27-16-30(54-5)31(55-6)17-29(27)47(52)53/h7,9-10,13-17,22-23,28H,8,11-12,18-19H2,1-6H3,(H,41,48)(H,42,49)(H,45,50)(H4,38,39,44)"	""	""	""
"8084"	"compound 1 [WO2012007375]"	""	"Synthetic organic"	""	""	""	""	"249565764"	"58056241"	""	""	""	""	""	""	""	"N-{2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl}-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide"	""	""	"NCC1CCN(CC1)c1ccc(cc1NC(=O)c1cnn2c1ncc(c2)O)Cl"	"BNVZRFQNZWYPQH-UHFFFAOYSA-N"	"InChI=1S/C19H21ClN6O2/c20-13-1-2-17(25-5-3-12(8-21)4-6-25)16(7-13)24-19(28)15-10-23-26-11-14(27)9-22-18(15)26/h1-2,7,9-12,27H,3-6,8,21H2,(H,24,28)"	"yes"	""	""
"8990"	"compound 1 [WO2014017936]"	""	"Synthetic organic"	""	""	""	""	"310264768"	"72734378"	""	""	""	""	""	""	""	"4-[3-(carbamoylamino)phenyl]-N-cyclopentyl-N-methylimidazole-1-carboxamide"	""	""	"NC(=O)Nc1cccc(c1)c1ncn(c1)C(=O)N(C1CCCC1)C"	"SXKWDPMBWTZYCA-UHFFFAOYSA-N"	"InChI=1S/C17H21N5O2/c1-21(14-7-2-3-8-14)17(24)22-10-15(19-11-22)12-5-4-6-13(9-12)20-16(18)23/h4-6,9-11,14H,2-3,7-8H2,1H3,(H3,18,20,23)"	""	""	""
"14501"	"compound 1 [WO2024229295]"	""	"Synthetic organic"	""	""	""	""	"528429822"	"168774465"	""	""	""	""	""	""	""	"3-[4-[7-cyano-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1,1-dimethylurea"	""	""	"C(#N)C1=C2C(=NC=C1OC3=CC(=NC=C3)NC(N(C)C)=O)N=C(N2C)NC=4C(N(C=C(C4)C(F)(F)F)C)=O"	"RREYQWVDIVFTGS-UHFFFAOYSA-N"	"InChI=1S/C23H20F3N9O3/c1-33(2)22(37)31-17-8-13(5-6-28-17)38-16-10-29-19-18(14(16)9-27)35(4)21(32-19)30-15-7-12(23(24,25)26)11-34(3)20(15)36/h5-8,10-11H,1-4H3,(H,28,31,37)(H,29,30,32)"	"yes"	""	""
"8301"	"compound 1 [Xiao <i>et al.</i> 2014]"	""	"Synthetic organic"	""	""	""	""	"252166513"	"91623329"	""	""	""	""	""	""	""	"[2-(2,4-dichlorophenyl)-1-methylsulfonylindol-3-yl]methanamine"	""	"indole sufonamide 1"	"NCc1c2ccccc2n(c1c1ccc(cc1Cl)Cl)S(=O)(=O)C"	"MTMKFBZYRGNPDF-UHFFFAOYSA-N"	"InChI=1S/C16H14Cl2N2O2S/c1-23(21,22)20-15-5-3-2-4-11(15)13(9-19)16(20)12-7-6-10(17)8-14(12)18/h2-8H,9,19H2,1H3"	""	""	""
"9171"	"compound 20 [Bergeron <i>et al</i>., 2016]"	""	"Synthetic organic"	""	""	""	""	"315661254"	"117995570"	""	""	""	""	""	""	""	"1-[(3S)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]urea"	""	""	"CNc1nccc(n1)N1CC[C@@H](C1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)CN1CCOCC1"	"LVIYMOOJJGCMCP-KRWDZBQOSA-N"	"InChI=1S/C22H28F3N7O2/c1-26-20-27-6-4-19(30-20)32-7-5-17(14-32)29-21(33)28-16-3-2-15(18(12-16)22(23,24)25)13-31-8-10-34-11-9-31/h2-4,6,12,17H,5,7-11,13-14H2,1H3,(H,26,27,30)(H2,28,29,33)/t17-/m0/s1"	""	""	""
"11589"	"compound 20c [PMID: 34181850]"	""	"Synthetic organic"	""	""	""	""	"442878623"	"156587557"	""	""	""	""	""	""	""	"4-(2-Chloroacetamido)-N-(2,5-dimethoxyphenyl)-2-thioxo-3-(4-(trifluoromethyl)phenyl)-2,3-dihydrothiazole-5-carboxamide"	""	""	"ClCC(=O)Nc1c(sc(=S)n1c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc(OC)ccc1OC"	"SPVXUJWQZXMNES-UHFFFAOYSA-N"	"InChI=1S/C21H17ClF3N3O4S2/c1-31-13-7-8-15(32-2)14(9-13)26-19(30)17-18(27-16(29)10-22)28(20(33)34-17)12-5-3-11(4-6-12)21(23,24)25/h3-9H,10H2,1-2H3,(H,26,30)(H,27,29)"	""	""	""
"5750"	"compound 20f [PMID: 21536438]"	""	"Synthetic organic"	""	""	""	""	"178102376"	"54585570"	""	""	""	""	""	""	""	"tert-butyl (1S,5S)-3-({5-methyl-6-[(2-methylpyridin-3-yl)oxy]pyrimidin-4-yl}oxy)-8-azabicyclo[3.2.1]octane-8-carboxylate"	""	""	"O=C(N1[C@H]2CC[C@H]1CC(C2)Oc1ncnc(c1C)Oc1cccnc1C)OC(C)(C)C"	"YKEGUYTXACKXKS-IRXDYDNUSA-N"	"InChI=1S/C23H30N4O4/c1-14-20(25-13-26-21(14)30-19-7-6-10-24-15(19)2)29-18-11-16-8-9-17(12-18)27(16)22(28)31-23(3,4)5/h6-7,10,13,16-18H,8-9,11-12H2,1-5H3/t16-,17-/m0/s1"	""	""	""
"9961"	"compound 20f [PMID: 28520415]"	""	"Synthetic organic"	""	""	""	""	"374883848"	"134611885"	""	""	""	""	""	""	""	"4-amino-6-{[(1S)-1-{3-methyl-6-[3-({4-[methyl(2-methylpropyl)amino]piperidin-1-yl}methyl)phenyl]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl}ethyl]amino}pyrimidine-5-carbonitrile"	""	""	"N#Cc1c(ncnc1N)N[C@H](c1cc2scc(n2c(=O)c1c1cccc(c1)CN1CCC(CC1)N(CC(C)C)C)C)C"	"ZUQSHQGUCXJKSV-QFIPXVFZSA-N"	"InChI=1S/C32H40N8OS/c1-20(2)16-38(5)25-9-11-39(12-10-25)17-23-7-6-8-24(13-23)29-26(14-28-40(32(29)41)21(3)18-42-28)22(4)37-31-27(15-33)30(34)35-19-36-31/h6-8,13-14,18-20,22,25H,9-12,16-17H2,1-5H3,(H3,34,35,36,37)/t22-/m0/s1"	"yes"	""	""
"13310"	"compound 20j [PMID: 38564512]"	""	"Synthetic organic"	""	""	""	""	"496703280"	"155326246"	""	""	""	""	""	""	""	"[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone"	""	"compound I-10 [WO2020233716A1]"	"O=C(N1CCC(N2CCCCC2)CC1)C=3C=CC(=CC3)C=4C=CC=5N(N4)C(=CN5)C6=CC7=C(C=CC=C7)O6"	"HDKZJMGFRSXWSJ-UHFFFAOYSA-N"	"InChI=1S/C31H31N5O2/c37-31(35-18-14-25(15-19-35)34-16-4-1-5-17-34)23-10-8-22(9-11-23)26-12-13-30-32-21-27(36(30)33-26)29-20-24-6-2-3-7-28(24)38-29/h2-3,6-13,20-21,25H,1,4-5,14-19H2"	""	""	""
"5906"	"compound 20o [PMID: 22984835]"	""	"Synthetic organic"	""	""	""	""	"178102529"	"66855377"	""	""	"CHEMBL2172140"	""	""	""	""	"butyl 4-{2-[(5-{2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy}-1-phenyl-1H-pyrazol-3-yl)formamido]acetyl}piperazine-1-carboxylate"	""	""	"CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1nn(c(c1)OCC(=O)N1CCC[C@H]1C(=O)NC1CCC1)c1ccccc1"	"QCKRRHRHLONWIP-SANMLTNESA-N"	"InChI=1S/C32H43N7O7/c1-2-3-19-45-32(44)37-17-15-36(16-18-37)27(40)21-33-30(42)25-20-29(39(35-25)24-11-5-4-6-12-24)46-22-28(41)38-14-8-13-26(38)31(43)34-23-9-7-10-23/h4-6,11-12,20,23,26H,2-3,7-10,13-19,21-22H2,1H3,(H,33,42)(H,34,43)/t26-/m0/s1"	""	""	""
"8650"	"compound 20 [PMID:12127536]"	""	"Synthetic organic"	""	""	""	""	"252166850"	"44310146"	""	""	"CHEMBL71654"	""	""	""	""	""	""	""	"CC[C@@H]([C@H](N(C(=O)C)C)C(=O)N[C@H]1CCc2c3N(C1=O)[C@@H](Cc3ccc2)C(=O)N[C@H](C(=O)c1nnc(o1)c1ccccc1)CC(=O)O)C"	"UCXMBOHIKJZNMQ-GIYJSHOWSA-N"	"InChI=1S/C34H38N6O8/c1-5-18(2)27(39(4)19(3)41)31(46)35-23-15-14-20-12-9-13-22-16-25(40(28(20)22)34(23)47)30(45)36-24(17-26(42)43)29(44)33-38-37-32(48-33)21-10-7-6-8-11-21/h6-13,18,23-25,27H,5,14-17H2,1-4H3,(H,35,46)(H,36,45)(H,42,43)/t18-,23-,24-,25-,27-/m0/s1"	""	""	""
"8555"	"compound 20 [PMID: 12372533]"	""	"Synthetic organic"	""	""	""	""	"252166756"	"44338671"	""	""	"CHEMBL107656"	""	""	""	""	""	""	""	"OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](B1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C)CCc1ccc(cc1)F)C(C)C)C(C)C)NC(=O)[C@H](CC(=O)O)N"	"JAXFJECJQZDFJS-XHEPKHHKSA-N"	"InChI=1S/C43H64BFN6O11/c1-22(2)35(49-38(57)28(15-17-33(52)53)47-37(56)27(46)21-34(54)55)40(59)50-36(23(3)4)41(60)51-18-8-9-29(51)39(58)48-32(16-12-24-10-13-26(45)14-11-24)44-61-31-20-25-19-30(42(25,5)6)43(31,7)62-44/h10-11,13-14,22-23,25,27-32,35-36H,8-9,12,15-21,46H2,1-7H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t25-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1"	""	""	""
"6371"	"compound 20 [PMID: 16439120]"	""	"Synthetic organic"	""	""	""	""	"178102989"	"73755216"	""	""	""	""	""	""	""	"6-[(3-chlorophenyl)methoxy]-4-methylpyridine-2-carbonitrile"	""	""	"N#Cc1cc(C)cc(n1)OCc1cccc(c1)Cl"	"IUJVMCIYVKHYBF-UHFFFAOYSA-N"	"InChI=1S/C14H11ClN2O/c1-10-5-13(8-16)17-14(6-10)18-9-11-3-2-4-12(15)7-11/h2-7H,9H2,1H3"	""	""	""
"3133"	"compound 20 [PMID: 20299227]"	""	"Synthetic organic"	""	""	""	""	"135649817"	"46866079"	""	""	"CHEMBL1091856"	""	""	""	""	"(5-{[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy}-1-hydroxy-1-phosphonopentyl)phosphonic acid"	""	""	"OC(P(=O)(O)O)(P(=O)(O)O)CCCCOc1nonc1S(=O)(=O)c1ccccc1"	"PSWFNEHHRVMWEJ-UHFFFAOYSA-N"	"InChI=1S/C13H18N2O11P2S/c16-13(27(17,18)19,28(20,21)22)8-4-5-9-25-11-12(15-26-14-11)29(23,24)10-6-2-1-3-7-10/h1-3,6-7,16H,4-5,8-9H2,(H2,17,18,19)(H2,20,21,22)"	""	""	""
"8156"	"compound 20 [PMID: 22136433]"	""	"Synthetic organic"	""	""	""	""	"249565836"	"54613583"	""	""	"CHEMBL1945559"	""	""	""	""	"7',8'-dichloro-9'-methyl-1'-oxo-1',2',4',9'-tetrahydrospiro[piperidine-4,3'-pyrido[3,4-b]indole]-4'-carbonitrile"	""	""	"N#CC1c2c3ccc(c(c3n(c2C(=O)NC21CCNCC2)C)Cl)Cl"	"OWAWOKKHZNRHGV-UHFFFAOYSA-N"	"InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)"	""	""	""
"6568"	"compound 20 [PMID: 22153340]"	""	"Synthetic organic"	""	""	""	""	"178103182"	"25122902"	""	""	"CHEMBL1935285"	""	""	""	""	"(2S)-3-methyl-2-[12-(5-methylfuran-2-yl)-8-oxatricyclo[7.4.0.0<sup>2</sup>,<sup>7</sup>]trideca-1(9),2(7),3,5,10,12-hexaene-5-sulfonamido]butanoic acid"	""	""	"CC([C@@H](C(=O)O)NS(=O)(=O)c1ccc2c(c1)oc1c2cc(cc1)c1ccc(o1)C)C"	"LLJREHOWNIBILL-NRFANRHFSA-N"	"InChI=1S/C22H21NO6S/c1-12(2)21(22(24)25)23-30(26,27)15-6-7-16-17-10-14(18-8-4-13(3)28-18)5-9-19(17)29-20(16)11-15/h4-12,21,23H,1-3H3,(H,24,25)/t21-/m0/s1"	""	""	""
"8124"	"compound 20 [PMID: 23489211]"	""	"Synthetic organic"	""	""	""	""	"249565804"	"71718651"	""	""	"CHEMBL2322989"	""	""	""	""	"(2S)-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid"	""	"PCM126"	"O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)C)C)C"	"ITOFPJRDSCGOSA-KZLRUDJFSA-N"	"InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1"	""	""	""
"8486"	"compound 20 [PMID: 23692593]"	""	"Synthetic organic"	""	""	""	""	"252166694"	"71681016"	""	""	"CHEMBL2381669"	""	""	""	""	"[(1S)-1-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-bromobutyl]boronic acid"	""	"Ahx-FSQn(boro)Bpg"	"CCCC[C@@H](C(=O)N[C@@H](B(O)O)CCCBr)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)CO)CCC(=O)N"	"AKGOAAVLALZKCN-JSLVBRCRSA-N"	"InChI=1S/C33H55BBrN7O9/c1-2-3-13-23(31(47)42-27(34(50)51)14-10-18-35)39-30(46)24(16-17-28(37)44)40-33(49)26(21-43)41-32(48)25(20-22-11-6-4-7-12-22)38-29(45)15-8-5-9-19-36/h4,6-7,11-12,23-27,43,50-51H,2-3,5,8-10,13-21,36H2,1H3,(H2,37,44)(H,38,45)(H,39,46)(H,40,49)(H,41,48)(H,42,47)/t23-,24-,25-,26-,27+/m0/s1"	""	""	""
"11399"	"compound 20 [PMID: 25091930]"	""	"Synthetic organic"	""	""	""	""	"440816768"	"11510716"	""	""	"CHEMBL3322230"	""	""	""	""	"2-[2-(2,6-dichlorophenyl)ethyl]-4-[(6-fluoro-1H-indol-2-yl)methyl]-5H-1,3-thiazole-4-carboxylic acid"	""	""	"Fc1ccc2c(c1)[nH]c(c2)CC1(CSC(=N1)CCc1c(Cl)cccc1Cl)C(=O)O"	"FHXPZYVYXRJXQI-UHFFFAOYSA-N"	"InChI=1S/C21H17Cl2FN2O2S/c22-16-2-1-3-17(23)15(16)6-7-19-26-21(11-29-19,20(27)28)10-14-8-12-4-5-13(24)9-18(12)25-14/h1-5,8-9,25H,6-7,10-11H2,(H,27,28)"	""	""	""
"10371"	"compound 20 [PMID: 30998356]"	""	"Synthetic organic"	""	""	""	""	"384403651"	"138320062"	""	""	""	""	""	""	""	"4-[[5-Chloro-4-(4-hydroxy-4-methyl-cyclohexoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethyl-3-[(1R)-2,2,2-trifluoro-1-methyl-ethoxy]benzamide"	""	""	"CN(C(=O)c1ccc(c(c1)O[C@@H](C(F)(F)F)C)Nc1nc(O[C@@H]2CC[C@](CC2)(C)O)c2c(n1)[nH]cc2Cl)C"	"IUWWRSQCDUQDEZ-CAQPCFEESA-N"	"InChI=1S/C25H29ClF3N5O4/c1-13(25(27,28)29)37-18-11-14(22(35)34(3)4)5-6-17(18)31-23-32-20-19(16(26)12-30-20)21(33-23)38-15-7-9-24(2,36)10-8-15/h5-6,11-13,15,36H,7-10H2,1-4H3,(H2,30,31,32,33)/t13-,15-,24+/m1/s1"	""	""	""
"11726"	"compound 20 [PMID: 34432979]"	""	"Synthetic organic"	""	""	""	""	"458923761"	"134496515"	""	""	""	""	""	""	""	""	""	""	"CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(C)(C)C"	"CHNBEZLJAQUZEX-LFRONEFISA-N"	"InChI=1S/C50H66F2N14O7S/c1-28-29(2)62-63-43(28)61-44-32-22-39(74(71,72)50(7,8)9)38(23-35(32)56-27-57-44)73-20-12-15-64-16-18-65(19-17-64)40-25-54-36(24-55-40)46(68)58-31-21-37(47(69)59-41-33(51)13-11-14-34(41)52)66(26-31)48(70)42(49(4,5)6)60-45(67)30(3)53-10/h11,13-14,22-25,27,30-31,37,42,53H,12,15-21,26H2,1-10H3,(H,58,68)(H,59,69)(H,60,67)(H2,56,57,61,62,63)/t30-,31-,37-,42+/m0/s1"	""	""	""
"12118"	"compound 20 [PMID: 35584373]"	""	"Synthetic organic"	""	""	""	""	"472319240"	"156705214"	""	""	""	""	""	""	""	"1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-methylsulfonylethanone"	""	""	"Cc1c(COc2nc3c(CN(CC3)C(=O)CS(=O)(=O)C)cc2)c(no1)c1ccc(F)cc1"	"GTVLCHCOKLXHLY-UHFFFAOYSA-N"	"InChI=1S/C22H22FN3O5S/c1-14-18(22(25-31-14)15-3-6-17(23)7-4-15)12-30-20-8-5-16-11-26(10-9-19(16)24-20)21(27)13-32(2,28)29/h3-8H,9-13H2,1-2H3"	""	""	""
"14104"	"compound 20 [PMID: 37522273]"	""	"Synthetic organic"	""	""	""	""	"518520731"	"900971"	""	""	"CHEMBL1468847"	""	""	""	""	"4,5-dichloro-2-[2-(4-chlorophenyl)-2-oxoethyl]pyridazin-3-one"	""	""	"ClC1=CC=C(C=C1)C(=O)CN2N=CC(Cl)=C(Cl)C2=O"	"KXKJYOGUPLQEES-UHFFFAOYSA-N"	"InChI=1S/C12H7Cl3N2O2/c13-8-3-1-7(2-4-8)10(18)6-17-12(19)11(15)9(14)5-16-17/h1-5H,6H2"	""	""	""
"13077"	"compound 20 [PMID: 37666112]"	""	"Synthetic organic"	""	""	""	""	"491299859"	"1759677"	""	""	""	""	""	""	""	"2-[carboxymethyl-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]amino]acetic acid"	""	"C20 [PMID: 37666112]|Y041-1875"	"COC1=CC2=C(C=C1)C(C)=C(CCC(=O)N(CC(O)=O)CC(O)=O)C(=O)O2"	"RMQTZPUNTDZXLX-UHFFFAOYSA-N"	"InChI=1S/C18H19NO8/c1-10-12-4-3-11(26-2)7-14(12)27-18(25)13(10)5-6-15(20)19(8-16(21)22)9-17(23)24/h3-4,7H,5-6,8-9H2,1-2H3,(H,21,22)(H,23,24)"	""	""	""
"3114"	"compound 20 [PMID: 7473541]"	""	"Synthetic organic"	""	""	""	""	"135649724"	"10780929"	""	""	"CHEMBL132881"	""	""	""	""	"{3-[4-butoxy-2-(prop-2-en-1-yl)phenoxy]propyl}(propan-2-yl)amine"	""	""	"C=CCc1cc(OCCCC)ccc1OCCCNC(C)C"	"BLGFFZRIKMFSOM-UHFFFAOYSA-N"	"InChI=1S/C19H31NO2/c1-5-7-13-21-18-10-11-19(17(15-18)9-6-2)22-14-8-12-20-16(3)4/h6,10-11,15-16,20H,2,5,7-9,12-14H2,1,3-4H3"	""	""	""
"3062"	"compound 20 [Shechter <i>et al</i>., 1996]"	""	"Synthetic organic"	""	""	""	""	"135649798"	"10092584"	""	""	"CHEMBL87659"	""	""	""	""	"4-{dimethyl[5-(4-phenylphenyl)pentyl]azaniumyl}butane-1-sulfonate"	""	""	"[O-]S(=O)(=O)CCCC[N+](CCCCCc1ccc(cc1)c1ccccc1)(C)C"	"XPCLHFQZYFKTAI-UHFFFAOYSA-N"	"InChI=1S/C23H33NO3S/c1-24(2,19-9-10-20-28(25,26)27)18-8-4-5-11-21-14-16-23(17-15-21)22-12-6-3-7-13-22/h3,6-7,12-17H,4-5,8-11,18-20H2,1-2H3"	""	""	""
"8109"	"compound 2-1-1 [PMID: 24900824]"	""	"Synthetic organic"	""	""	""	""	"249565789"	"72202254"	""	""	"CHEMBL3260324"	""	""	""	""	"2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine"	""	""	"CCOc1cc(F)c(c(c1)F)Cn1nc(c2c1CCC2)c1ncc(c(n1)Nc1ccncc1)OC"	"UJORPFQWUKFXIE-UHFFFAOYSA-N"	"InChI=1S/C25H24F2N6O2/c1-3-35-16-11-19(26)18(20(27)12-16)14-33-21-6-4-5-17(21)23(32-33)25-29-13-22(34-2)24(31-25)30-15-7-9-28-10-8-15/h7-13H,3-6,14H2,1-2H3,(H,28,29,30,31)"	""	""	""
"8112"	"compound 2-13-1 [PMID: 24900824]"	""	"Synthetic organic"	""	""	""	""	"249565792"	"72203102"	""	""	"CHEMBL3260329"	""	""	""	""	"4-[(2-{1-[(2-fluorophenyl)methyl]-1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-5-(2-methanesulfonylethoxy)pyrimidin-4-yl)amino]pyridine-3-carboxamide"	""	""	"NC(=O)c1cnccc1Nc1nc(ncc1OCCS(=O)(=O)C)c1nn(c2c1CCC2)Cc1ccccc1F"	"FFVPQWXBEUUBMF-UHFFFAOYSA-N"	"InChI=1S/C26H26FN7O4S/c1-39(36,37)12-11-38-22-14-30-26(32-25(22)31-20-9-10-29-13-18(20)24(28)35)23-17-6-4-8-21(17)34(33-23)15-16-5-2-3-7-19(16)27/h2-3,5,7,9-10,13-14H,4,6,8,11-12,15H2,1H3,(H2,28,35)(H,29,30,31,32)"	""	""	""
"630"	"compound 21b [PMID: 12723954]"	""	"Synthetic organic"	""	""	""	""	"135650671"	"10254379"	""	""	""	""	""	""	""	"(2R)-2-[[(4-chlorophenyl)amino]carbamoylamino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide"	""	""	"O=C(N[C@@H](C(=O)NCCc1ccccc1)Cc1c[nH]c2c1cccc2)NNc1ccc(cc1)Cl"	"SLTBMTIRYMGWLX-XMMPIXPASA-N"	"InChI=1S/C26H26ClN5O2/c27-20-10-12-21(13-11-20)31-32-26(34)30-24(16-19-17-29-23-9-5-4-8-22(19)23)25(33)28-15-14-18-6-2-1-3-7-18/h1-13,17,24,29,31H,14-16H2,(H,28,33)(H2,30,32,34)/t24-/m1/s1"	""	""	""
"10403"	"compound 21b [PMID: 31136173]"	""	"Synthetic organic"	""	""	""	""	"384403682"	"138393295"	""	""	""	""	""	""	""	"3-{2-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl}pyridine"	""	""	"COc1cc(ccc1OC)c1cnc2c(c1)c(C#Cc1cccnc1)c[nH]2"	"CJTVDIBZBUWIFC-UHFFFAOYSA-N"	"InChI=1S/C22H17N3O2/c1-26-20-8-7-16(11-21(20)27-2)18-10-19-17(13-24-22(19)25-14-18)6-5-15-4-3-9-23-12-15/h3-4,7-14H,1-2H3,(H,24,25)"	"yes"	""	""
"10486"	"compound 21b [PMID: 31430136]"	""	"Synthetic organic"	""	""	""	""	"385612245"	"130345110"	""	""	""	""	""	""	""	"[5-[3-ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine"	""	""	"CCc1cc(cc(c1)S(=O)(=O)c1cnc(s1)CN)c1cnn(c1)C"	"VIYHDQCOPYIJMF-UHFFFAOYSA-N"	"InChI=1S/C16H18N4O2S2/c1-3-11-4-12(13-8-19-20(2)10-13)6-14(5-11)24(21,22)16-9-18-15(7-17)23-16/h4-6,8-10H,3,7,17H2,1-2H3"	""	""	""
"10640"	"compound 21b [PMID: 31944697]"	""	"Synthetic organic"	""	""	""	""	"404859087"	"145996535"	""	""	""	""	""	""	""	"3-((4'-Chloro-[1,1'-biphenyl]-4-yl)methoxy)-N-hydroxyisoxazole-5-carboxamide"	""	""	"ONC(=O)c1onc(c1)OCc1ccc(cc1)c1ccc(cc1)Cl"	"XZENCCSBEQTERZ-UHFFFAOYSA-N"	"InChI=1S/C17H13ClN2O4/c18-14-7-5-13(6-8-14)12-3-1-11(2-4-12)10-23-16-9-15(24-20-16)17(21)19-22/h1-9,22H,10H2,(H,19,21)"	""	""	""
"11833"	"compound 21k [PMID: 34985886]"	""	"Synthetic organic"	""	""	""	""	"461663389"	"162641720"	""	""	""	""	""	""	""	"4-(4-Fluorobenzyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one"	""	""	"O=C1c2ccc(c3cc4cc[nH]c4nc3)cc2OCCN1Cc1ccc(F)cc1"	"UVLOISNMRLZTPF-UHFFFAOYSA-N"	"InChI=1S/C23H18FN3O2/c24-19-4-1-15(2-5-19)14-27-9-10-29-21-12-16(3-6-20(21)23(27)28)18-11-17-7-8-25-22(17)26-13-18/h1-8,11-13H,9-10,14H2,(H,25,26)"	""	""	""
"8750"	"compound 21n [PMID: 17656086]"	""	"Synthetic organic"	""	""	""	""	"252827408"	"24825377"	""	""	"CHEMBL235920"	""	""	""	""	"5-[2-[[ethyl-[(3R)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole"	""	""	"COc1ccc(cc1)c1nc([nH]c1CCNS(=O)(=O)N([C@@H]1CCN(C1)C(c1ccc(cc1)F)C)CC)c1cccs1"	"YCOQGGMZWKBBGI-UIDYPRJRSA-N"	"InChI=1S/C30H36FN5O3S2/c1-4-36(25-16-18-35(20-25)21(2)22-7-11-24(31)12-8-22)41(37,38)32-17-15-27-29(23-9-13-26(39-3)14-10-23)34-30(33-27)28-6-5-19-40-28/h5-14,19,21,25,32H,4,15-18,20H2,1-3H3,(H,33,34)/t21?,25-/m1/s1"	""	""	""
"3119"	"compound 21 [PMID: 19191557]"	""	"Synthetic organic"	""	""	""	""	"135649789"	"56947054"	""	""	"CHEMBL1208261"	""	""	""	""	"4-[3-(2-fluorophenoxy)phenyl]-1-phosphonatobutane-1-sulfonate"	""	""	"Fc1ccccc1Oc1cccc(c1)CCCC(S(=O)(=O)[O-])P(=O)([O-])[O-]"	"OHYIVSIWKOMZPF-UHFFFAOYSA-K"	"InChI=1S/C16H18FO7PS/c17-14-8-1-2-9-15(14)24-13-7-3-5-12(11-13)6-4-10-16(25(18,19)20)26(21,22)23/h1-3,5,7-9,11,16H,4,6,10H2,(H2,18,19,20)(H,21,22,23)/p-3"	""	""	""
"5789"	"compound 21 [PMID: 21185185]"	""	"Synthetic organic"	""	""	""	""	"178102414"	"53238781"	""	""	"CHEMBL1770358"	""	""	""	""	"(4R)-2-[[(2S)-2-amino-3-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]-4-methylcyclohexene-1-carboxylic acid"	""	""	"C[C@@H]1CCC(=C(C1)NC(=O)[C@H](Cc1onc(n1)c1ccc(cn1)F)N)C(=O)O"	"CDYGJIFOATYSNF-SKDRFNHKSA-N"	"InChI=1S/C18H20FN5O4/c1-9-2-4-11(18(26)27)14(6-9)22-17(25)12(20)7-15-23-16(24-28-15)13-5-3-10(19)8-21-13/h3,5,8-9,12H,2,4,6-7,20H2,1H3,(H,22,25)(H,26,27)/t9-,12+/m1/s1"	""	""	""
"6918"	"compound 21 [PMID: 22802221]"	""	"Synthetic organic"	""	""	""	""	"178103500"	"9804984"	""	""	"CHEMBL189568"	""	""	""	""	"butyl N-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate"	""	"3-[4-(1H-imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophene-2-[(N-butyloxylcarbamate)-sulphonamide] sodium salt|C21"	"CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1cncc1)CC(C)C"	"XTEOJPUYZWEXFI-UHFFFAOYSA-N"	"InChI=1S/C23H29N3O4S2/c1-4-5-12-30-23(27)25-32(28,29)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27)"	"yes"	""	""
"8135"	"compound 21 [PMID: 23312943]"	""	"Synthetic organic"	""	""	""	""	"249565815"	"71553154"	""	""	"CHEMBL2312654"	""	""	""	""	"2-N-(3,5-dichlorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidine-2,4-diamine"	""	""	"CN(C1CCC(CC1)Nc1nc(ncc1c1onc(c1)C)Nc1cc(Cl)cc(c1)Cl)C"	"ZTSOUDMNSOYCTG-UHFFFAOYSA-N"	"InChI=1S/C22H26Cl2N6O/c1-13-8-20(31-29-13)19-12-25-22(27-17-10-14(23)9-15(24)11-17)28-21(19)26-16-4-6-18(7-5-16)30(2)3/h8-12,16,18H,4-7H2,1-3H3,(H2,25,26,27,28)"	""	""	""
"8884"	"compound 21 [PMID: 23981033]"	""	"Synthetic organic"	""	""	""	""	"252827541"	"56968001"	""	""	"CHEMBL2419596"	""	""	""	""	"2-tert-butyl-1'-(2-methoxyquinoline-7-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one"	""	""	"COc1ccc2c(n1)cc(cc2)C(=O)N1CCC2(CC1)NC(=O)c1c(C2)cn(n1)C(C)(C)C"	"ZXUGLISADYYLBK-UHFFFAOYSA-N"	"InChI=1S/C25H29N5O3/c1-24(2,3)30-15-18-14-25(27-22(31)21(18)28-30)9-11-29(12-10-25)23(32)17-6-5-16-7-8-20(33-4)26-19(16)13-17/h5-8,13,15H,9-12,14H2,1-4H3,(H,27,31)"	""	""	""
"8187"	"compound 21 [PMID: 24900635]"	""	"Synthetic organic"	""	""	""	""	"249565867"	"76332060"	""	""	"CHEMBL3109212"	""	""	""	""	"1-[3-[5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea"	""	""	"O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1cccc(c1)c1c[nH]c2c1cc(cn2)c1cccc(c1)N"	"QQTPMHCXBYRWFQ-UHFFFAOYSA-N"	"InChI=1S/C27H19F4N5O/c28-23-8-7-18(27(29,30)31)12-24(23)36-26(37)35-20-6-2-4-16(10-20)22-14-34-25-21(22)11-17(13-33-25)15-3-1-5-19(32)9-15/h1-14H,32H2,(H,33,34)(H2,35,36,37)"	"yes"	""	""
"8381"	"compound 21 [PMID: 25259874]"	""	"Synthetic organic"	""	""	""	""	"252166593"	"91827354"	""	""	""	""	""	""	""	""	""	""	"O=C(c1nc([nH]c1C)C(c1ccccc1)c1ccccc1)N[C@H](C(=O)O)CCCNC(=N)N"	"RFBOIZXPIAOMAX-SFHVURJKSA-N"	"InChI=1S/C24H28N6O3/c1-15-20(22(31)29-18(23(32)33)13-8-14-27-24(25)26)30-21(28-15)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-14H2,1H3,(H,28,30)(H,29,31)(H,32,33)(H4,25,26,27)/t18-/m0/s1"	""	""	""
"12832"	"compound 21 [PMID: 33786375]"	""	"Synthetic organic"	""	""	""	""	"483123380"	"155803731"	""	""	"CHEMBL5180524"	""	""	""	""	"5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]phenyl]-6-oxo-1-pyridin-3-ylpyridin-3-yl]-1H-pyrimidine-2,4-dione"	""	""	"ClC1=CC(OCC2=CC=CC=C2Cl)=CC(=C1)C3=CC(=CN(C3=O)C4=CN=CC=C4)C5=CNC(=O)NC5=O"	"NFXZAFCZOMISJH-UHFFFAOYSA-N"	"InChI=1S/C27H18Cl2N4O4/c28-19-8-17(9-21(11-19)37-15-16-4-1-2-6-24(16)29)22-10-18(23-13-31-27(36)32-25(23)34)14-33(26(22)35)20-5-3-7-30-12-20/h1-14H,15H2,(H2,31,32,34,36)"	""	""	""
"11600"	"compound 21 [PMID: 34141085]"	""	"Synthetic organic"	""	""	""	""	"442878634"	"72549782"	""	""	"CHEMBL3109649"	""	""	""	""	"4-[[1-[[2-cyano-3-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxylic acid"	""	""	"N#Cc1c(cccc1C(F)(F)F)Cn1c(=O)n(C[C@@H]2CC[C@H](CC2)C(=O)O)c(=O)c2c1cccc2C"	"QDVBJHFEZRTDHU-QAQDUYKDSA-N"	"InChI=1S/C26H24F3N3O4/c1-15-4-2-7-21-22(15)23(33)32(13-16-8-10-17(11-9-16)24(34)35)25(36)31(21)14-18-5-3-6-20(19(18)12-30)26(27,28)29/h2-7,16-17H,8-11,13-14H2,1H3,(H,34,35)/t16-,17-"	""	""	""
"12836"	"compound 21 [PMID: 34347470]"	""	"Synthetic organic"	""	""	""	""	"483123384"	"156026027"	""	""	"CHEMBL5092107"	""	""	""	""	"2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-(thiophen-3-ylmethyl)acetamide"	""	""	"O=C(CN1N=NC2=CC=CC=C12)N(CC3=CSC=C3)C4=CC=C(C=C4)C5=CNC=N5"	"XZJQABWECIWHRU-UHFFFAOYSA-N"	"InChI=1S/C22H18N6OS/c29-22(13-28-21-4-2-1-3-19(21)25-26-28)27(12-16-9-10-30-14-16)18-7-5-17(6-8-18)20-11-23-15-24-20/h1-11,14-15H,12-13H2,(H,23,24)"	""	""	""
"11616"	"compound 21 [PMID: 34408808]"	""	"Synthetic organic"	""	""	""	""	"442878650"	"156587561"	""	""	""	""	""	""	""	"5-[3-(3-chloro-5-{[4-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy}phenyl)-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione"	""	""	"Clc1cc(OCc2scnc2C(F)(F)F)cc(c1)c1cc(cn(c1=O)c1cccnc1)c1cn(C)c(=O)[nH]c1=O"	"CMYSAEAJENJTSK-UHFFFAOYSA-N"	"InChI=1S/C26H17ClF3N5O4S/c1-34-11-20(23(36)33-25(34)38)15-7-19(24(37)35(10-15)17-3-2-4-31-9-17)14-5-16(27)8-18(6-14)39-12-21-22(26(28,29)30)32-13-40-21/h2-11,13H,12H2,1H3,(H,33,36,38)"	""	""	""
"11836"	"compound 21 [PMID: 34855405]"	""	"Synthetic organic"	""	""	""	""	"461663392"	"140930129"	""	""	""	""	""	""	""	"5-[(3R)-3-(5-chloro-3-fluoropyridin-2-yl)pyrrolidine-1-carbonyl]-3-(2,6-diethylphenyl)-6-hydroxy-2-(1-methylpyrazol-3-yl)pyrimidin-4-one"	""	""	"CCc1cccc(CC)c1n1c(O)c(c(=O)nc1c1nn(cc1)C)C(=O)N1CC[C@@H](c2ncc(cc2F)Cl)C1"	"BFXUALMCVABIFZ-GOSISDBHSA-N"	"InChI=1S/C28H28ClFN6O3/c1-4-16-7-6-8-17(5-2)24(16)36-25(21-10-11-34(3)33-21)32-26(37)22(28(36)39)27(38)35-12-9-18(15-35)23-20(30)13-19(29)14-31-23/h6-8,10-11,13-14,18,39H,4-5,9,12,15H2,1-3H3/t18-/m1/s1"	""	""	""
"13025"	"compound 21 [PMID: 36459756]"	""	"Synthetic organic"	""	""	""	""	"485206146"	"166176990"	""	""	""	""	""	""	""	"3-[(4-bromophenyl)methyl]-7-[3-(diethylamino)propylamino]-6-fluoro-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one"	""	""	"CCN(CC)CCCNC1=CC2=C(C=C1F)C(=O)N(CC3=CC=C(Br)C=C3)C(/C=C/C4=CC=C(C=C4)C(C)C)=N2"	"ZTSBFUZGEKUIED-SFQUDFHCSA-N"	"InChI=1S/C33H38BrFN4O/c1-5-38(6-2)19-7-18-36-31-21-30-28(20-29(31)35)33(40)39(22-25-10-15-27(34)16-11-25)32(37-30)17-12-24-8-13-26(14-9-24)23(3)4/h8-17,20-21,23,36H,5-7,18-19,22H2,1-4H3/b17-12+"	""	""	""
"3115"	"compound 21 [PMID: 7473541]"	""	"Synthetic organic"	""	""	""	""	"135649725"	"10591006"	""	""	"CHEMBL131973"	""	""	""	""	"{3-[4-phenyl-2-(prop-2-en-1-yl)phenoxy]propyl}(propan-2-yl)amine"	""	""	"C=CCc1cc(ccc1OCCCNC(C)C)c1ccccc1"	"CKIDETHAWPUGOQ-UHFFFAOYSA-N"	"InChI=1S/C21H27NO/c1-4-9-20-16-19(18-10-6-5-7-11-18)12-13-21(20)23-15-8-14-22-17(2)3/h4-7,10-13,16-17,22H,1,8-9,14-15H2,2-3H3"	""	""	""
"6231"	"compound 22a [PMID: 21688779]"	""	"Synthetic organic"	""	""	""	""	"178102852"	"46836562"	""	""	"CHEMBL1830707"	""	""	""	""	"N-(pyridin-2-yl)-5-thia-3,11,12-triazatricyclo[8.3.0.0^{2,6}]trideca-1(13),2(6),3,10-tetraen-4-amine"	""	""	"c1ccc(nc1)Nc1sc2c(n1)c1c[nH]nc1CCC2"	"DBISXWCOHGUFSF-UHFFFAOYSA-N"	"InChI=1S/C14H13N5S/c1-2-7-15-12(6-1)17-14-18-13-9-8-16-19-10(9)4-3-5-11(13)20-14/h1-2,6-8H,3-5H2,(H,16,19)(H,15,17,18)"	""	""	""
"6730"	"compound 22c [PMID: 16242323]"	""	"Synthetic organic"	""	""	""	""	"178103341"	"73755238"	""	""	""	""	""	""	""	"1-[4-(aminomethyl)-2,6-bis(propan-2-yl)phenyl]-3-{1-butyl-4-[3-(3-hydroxypropoxy)phenyl]-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl}urea hydrochloride"	""	""	"CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)CN)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCO.Cl"	"OXTVBHDILDPYAS-UHFFFAOYSA-N"	"InChI=1S/C35H45N5O4.ClH/c1-6-7-15-40-33-27(13-9-14-37-33)30(25-11-8-12-26(20-25)44-17-10-16-41)32(34(40)42)39-35(43)38-31-28(22(2)3)18-24(21-36)19-29(31)23(4)5;/h8-9,11-14,18-20,22-23,41H,6-7,10,15-17,21,36H2,1-5H3,(H2,38,39,43);1H"	""	""	""
"10689"	"compound 2-2c [PMID: 32003560]"	""	"Synthetic organic"	""	""	""	""	"404859136"	"139520309"	""	""	""	""	""	""	""	"4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide"	""	""	"COc1ccc2c(c1)n(CCCC(=O)N)c1c2ccnc1C"	"MRZRJTZGNFPMNY-UHFFFAOYSA-N"	"InChI=1S/C17H19N3O2/c1-11-17-14(7-8-19-11)13-6-5-12(22-2)10-15(13)20(17)9-3-4-16(18)21/h5-8,10H,3-4,9H2,1-2H3,(H2,18,21)"	""	""	""
"6731"	"compound 22d [PMID: 16242323]"	""	"Synthetic organic"	""	""	""	""	"178103342"	"73755240"	""	""	""	""	""	""	""	"1-[3-amino-2,6-bis(propan-2-yl)phenyl]-3-{1-butyl-4-[3-(2-hydroxyethoxy)phenyl]-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl}urea hydrochloride"	""	""	"OCCOc1cccc(c1)c1c(NC(=O)Nc2c(ccc(c2C(C)C)N)C(C)C)c(=O)n(c2c1cccn2)CCCC.Cl"	"MXPCZHSTOIKVST-UHFFFAOYSA-N"	"InChI=1S/C33H41N5O4.ClH/c1-6-7-16-38-31-25(12-9-15-35-31)28(22-10-8-11-23(19-22)42-18-17-39)30(32(38)40)37-33(41)36-29-24(20(2)3)13-14-26(34)27(29)21(4)5;/h8-15,19-21,39H,6-7,16-18,34H2,1-5H3,(H2,36,37,41);1H"	""	""	""
"8504"	"compound 22e [PMID: 20167483]"	""	"Synthetic organic"	""	""	""	""	"252166712"	"46845425"	""	""	"CHEMBL1089721"	""	""	""	""	"2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid"	""	""	"CCC(Cc1c[nH]c(n1)CCc1ccc(cc1)c1ccccc1C(=O)O)(C)C"	"AXHVEQQLKVIZLO-UHFFFAOYSA-N"	"InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)"	""	""	""
"8153"	"compound 22m [PMID: 19831390]"	""	"Synthetic organic"	""	""	""	""	"249565833"	"44543082"	""	""	"CHEMBL571057"	""	""	""	""	"3-[[(cyanoamino)-[(2S)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methylidene]amino]-N-(2-hydroxyethyl)benzamide"	""	""	"OCCNC(=O)c1cccc(c1)N=C(N1CCN(C[C@@H]1C)c1ncnc2c1c(C)c[nH]2)NC#N"	"BCNLLDVODACBHT-INIZCTEOSA-N"	"InChI=1S/C23H27N9O2/c1-15-11-26-20-19(15)21(29-14-28-20)31-7-8-32(16(2)12-31)23(27-13-24)30-18-5-3-4-17(10-18)22(34)25-6-9-33/h3-5,10-11,14,16,33H,6-9,12H2,1-2H3,(H,25,34)(H,27,30)(H,26,28,29)/t16-/m0/s1"	""	""	""
"6358"	"compound 22 [PMID: 17276684]"	""	"Synthetic organic"	""	""	""	""	"178102976"	"16739288"	""	""	"CHEMBL396712"	""	""	""	""	"7-methyl-6-(phenylmethoxy)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one"	""	""	"Cc1cc2[nH]c3c(c2cc1OCc1ccccc1)CCNC3=O"	"DYTMNPUOZGPWQA-UHFFFAOYSA-N"	"InChI=1S/C19H18N2O2/c1-12-9-16-15(14-7-8-20-19(22)18(14)21-16)10-17(12)23-11-13-5-3-2-4-6-13/h2-6,9-10,21H,7-8,11H2,1H3,(H,20,22)"	""	""	""
"6349"	"compound 22 [PMID: 19289283]"	""	"Synthetic organic"	""	""	""	""	"178102967"	"11772954"	""	""	"CHEMBL469382"	""	""	""	""	"2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[4,5-e]pyrimidin-6-yl]amino]ethoxy]ethanol"	""	""	"OCCOCCNc1ncc2c(c1)c(ncn2)NC1Cc2c(C1)cccc2"	"QFBGUCZGHVJUGC-UHFFFAOYSA-N"	"InChI=1S/C20H23N5O2/c26-6-8-27-7-5-21-19-11-17-18(12-22-19)23-13-24-20(17)25-16-9-14-3-1-2-4-15(14)10-16/h1-4,11-13,16,26H,5-10H2,(H,21,22)(H,23,24,25)"	""	""	""
"6562"	"compound 22 [PMID: 19899765]"	""	"Synthetic organic"	""	""	""	""	"178103176"	"45485268"	""	""	"CHEMBL571153"	""	""	""	""	"(2S)-2-(2-benzyl-3-{[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl}propanamido)-3-(1H-indol-3-yl)propanoic acid"	""	""	"O=C(N[C@H](P(=O)(CC(C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)Cc1ccccc1)O)Cc1ccccc1)OCc1ccccc1"	"WWTBZEKOSBFBEM-SPWPXUSOSA-N"	"InChI=1S/C37H38N3O7P/c41-35(39-33(36(42)43)22-29-23-38-32-19-11-10-18-31(29)32)30(20-26-12-4-1-5-13-26)25-48(45,46)34(21-27-14-6-2-7-15-27)40-37(44)47-24-28-16-8-3-9-17-28/h1-19,23,30,33-34,38H,20-22,24-25H2,(H,39,41)(H,40,44)(H,42,43)(H,45,46)/t30?,33-,34+/m0/s1"	""	""	""
"8205"	"compound 22 [PMID: 20462760]"	""	"Synthetic organic"	""	""	""	""	"249565885"	"24863112"	""	""	"CHEMBL1084106"	""	""	""	""	"N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide"	""	""	"O=C(C(c1ccccc1)NC1CC1)Nc1cc2cc[nH]c(=O)c2cc1Cl"	"SKYALJGMRAGHEN-UHFFFAOYSA-N"	"InChI=1S/C20H18ClN3O2/c21-16-11-15-13(8-9-22-19(15)25)10-17(16)24-20(26)18(23-14-6-7-14)12-4-2-1-3-5-12/h1-5,8-11,14,18,23H,6-7H2,(H,22,25)(H,24,26)"	""	""	""
"8116"	"compound 22 [PMID: 21823616]"	""	"Synthetic organic"	""	""	""	""	"249565796"	"51051074"	""	""	"CHEMBL1830587"	""	""	""	""	"N-methyl-3-[1-(4-piperazin-1-ylphenyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propanamide"	""	""	"CNC(=O)CCc1nn(c(c1)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)N1CCNCC1"	"GHBUPSVATJKTRR-UHFFFAOYSA-N"	"InChI=1S/C30H30F3N5O/c1-34-29(39)15-10-25-20-28(38(36-25)27-13-11-26(12-14-27)37-18-16-35-17-19-37)23-4-2-21(3-5-23)22-6-8-24(9-7-22)30(31,32)33/h2-9,11-14,20,35H,10,15-19H2,1H3,(H,34,39)"	""	""	""
"10234"	"compound 22 [PMID: 24754609]"	""	"Synthetic organic"	""	""	""	""	"381744916"	"73659199"	""	""	"CHEMBL3356900"	""	""	""	""	"1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propylimidazol-4-yl)ethyl]urea"	""	""	"CCCn1cnc(c1)CCNC(=O)Nc1nc2c(s1)cc(cc2)c1cncc(c1)OC"	"VYPWROGLWNYKDD-UHFFFAOYSA-N"	"InChI=1S/C22H24N6O2S/c1-3-8-28-13-17(25-14-28)6-7-24-21(29)27-22-26-19-5-4-15(10-20(19)31-22)16-9-18(30-2)12-23-11-16/h4-5,9-14H,3,6-8H2,1-2H3,(H2,24,26,27,29)"	""	""	""
"14607"	"compound 22 [PMID: 29902723]"	""	"Synthetic organic"	""	""	""	""	"530846855"	"145974549"	""	""	"CHEMBL4176317"	""	""	""	""	"(2Z)-2-[[3-[5-(4-chlorophenoxy)pentoxy]phenyl]methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one"	""	""	"ClC1=CC=C(OCCCCCOC=2C=C(/C=C/3\N=C4SCCCN4C3=O)C=CC2)C=C1"	"DLCUOANMQWMLPN-XLNRJJMWSA-N"	"InChI=1S/C24H25ClN2O3S/c25-19-8-10-20(11-9-19)29-13-2-1-3-14-30-21-7-4-6-18(16-21)17-22-23(28)27-12-5-15-31-24(27)26-22/h4,6-11,16-17H,1-3,5,12-15H2/b22-17-"	""	""	""
"13013"	"compound 22 [PMID: 30457869]"	""	"Synthetic organic"	""	""	""	""	"485206134"	"145984892"	""	""	"CHEMBL4277689"	""	""	""	""	"(2R,3R,4S)-4-(diaminomethylideneamino)-3-(4-methylpentanoylamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid"	""	""	"CC(C)CCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N"	"CGSNXPGJUHSVOX-ZZEHVWSGSA-N"	"InChI=1S/C16H28N4O7/c1-7(2)3-4-11(23)20-12-8(19-16(17)18)5-10(15(25)26)27-14(12)13(24)9(22)6-21/h5,7-9,12-14,21-22,24H,3-4,6H2,1-2H3,(H,20,23)(H,25,26)(H4,17,18,19)/t8-,9+,12+,13+,14+/m0/s1"	""	""	""
"13061"	"compound 22 [PMID:  38085679]"	""	"Synthetic organic"	""	""	""	""	"491299843"	"169494257"	""	""	""	""	""	""	""	"(S)-7-((1H-Imidazol-1-yl)methyl)-4-(3-methoxy-5,6,7,8-tetrahydroquinolin-5-yl)-9-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one"	""	""	"O=C1C2=C(C(C3=CN(N=C3C(F)(F)F)C)=CC(CN4C=NC=C4)=C2)OCCN1[C@H]5CCCC6=NC=C(C=C56)OC"	"OTVQRTLMBVTANG-DEOSSOPVSA-N"	"InChI=1S/C28H27F3N6O3/c1-35-15-22(26(34-35)28(29,30)31)19-10-17(14-36-7-6-32-16-36)11-21-25(19)40-9-8-37(27(21)38)24-5-3-4-23-20(24)12-18(39-2)13-33-23/h6-7,10-13,15-16,24H,3-5,8-9,14H2,1-2H3/t24-/m0/s1"	""	""	""
"12181"	"compound 22 [WO2019141694A1]"	""	"Synthetic organic"	""	""	""	""	"472319303"	"139330094"	""	""	""	""	""	""	""	""	""	""	"Cc1c(cc(cc1)c1c2nc(cc(n2nc1C)NCc1cc(ccc1)c1nccn1C)C(C)(C)O)C(=O)N(C)[C@@H](C)CO"	"LGILUCRVDGGDMI-NRFANRHFSA-N"	"InChI=1S/C33H39N7O3/c1-20-11-12-24(16-26(20)32(42)39(7)21(2)19-41)29-22(3)37-40-28(17-27(33(4,5)43)36-31(29)40)35-18-23-9-8-10-25(15-23)30-34-13-14-38(30)6/h8-17,21,35,41,43H,18-19H2,1-7H3/t21-/m0/s1"	""	""	""
"8111"	"compound 2-3-1 [PMID: 24900824]"	""	"Synthetic organic"	""	""	""	""	"249565791"	"72202696"	""	""	"CHEMBL3260325"	""	""	""	""	"5-[2-(dimethylamino)ethoxy]-2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine"	""	""	"CCOc1cc(F)c(c(c1)F)Cn1nc(c2c1CCC2)c1ncc(c(n1)Nc1ccncc1)OCCN(C)C"	"HDLPONLLJOSAIM-UHFFFAOYSA-N"	"InChI=1S/C28H31F2N7O2/c1-4-38-19-14-22(29)21(23(30)15-19)17-37-24-7-5-6-20(24)26(35-37)28-32-16-25(39-13-12-36(2)3)27(34-28)33-18-8-10-31-11-9-18/h8-11,14-16H,4-7,12-13,17H2,1-3H3,(H,31,32,33,34)"	""	""	""
"8110"	"compound 2-3-2 [PMID: 24900824]"	""	"Synthetic organic"	""	""	""	""	"249565790"	"72202697"	""	""	"CHEMBL3260326"	""	""	""	""	"[3-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethyl]oxetan-3-yl]methanol"	""	""	"CCOc1cc(F)c(c(c1)F)Cn1nc(c2c1CCC2)c1ncc(c(n1)Nc1ccncc1)OCC1(CO)COC1"	"WIVMUEFNJYZIOY-UHFFFAOYSA-N"	"InChI=1S/C29H30F2N6O4/c1-2-40-19-10-22(30)21(23(31)11-19)13-37-24-5-3-4-20(24)26(36-37)28-33-12-25(41-17-29(14-38)15-39-16-29)27(35-28)34-18-6-8-32-9-7-18/h6-12,38H,2-5,13-17H2,1H3,(H,32,33,34,35)"	""	""	""
"11404"	"compound 23a [PMID: 33417443]"	""	"Synthetic organic"	""	""	""	""	"440816773"	"155817514"	""	""	""	""	""	""	""	"(S)-2-amino-3-(4-(5-(4′-hydroxy-6-methoxy-[1,1′-biphenyl]-3-yl)-1,2,4-oxadiazol-3-yl)phenyl)propanoic acid"	""	""	"COc1ccc(cc1c1ccc(cc1)O)c1onc(n1)c1ccc(cc1)C[C@@H](C(=O)O)N"	"DAAXYQZSKBPJOX-FQEVSTJZSA-N"	"InChI=1S/C24H21N3O5/c1-31-21-11-8-17(13-19(21)15-6-9-18(28)10-7-15)23-26-22(27-32-23)16-4-2-14(3-5-16)12-20(25)24(29)30/h2-11,13,20,28H,12,25H2,1H3,(H,29,30)/t20-/m0/s1"	""	""	""
"6345"	"compound 23c [PMID: 17929793]"	""	"Synthetic organic"	""	""	""	""	"178102963"	"16659967"	""	""	"CHEMBL393922"	""	""	""	""	"14-(4-methoxyphenyl)-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-one"	""	""	"COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2NCCOc2cn1"	"KUCDOJMOTMEEOF-UHFFFAOYSA-N"	"InChI=1S/C18H14N4O3S/c1-24-11-4-2-10(3-5-11)22-9-21-15-13-14-12(25-7-6-19-14)8-20-17(13)26-16(15)18(22)23/h2-5,8-9,19H,6-7H2,1H3"	""	""	""
"6346"	"compound 23e [PMID: 17929793]"	""	"Synthetic organic"	""	""	""	""	"178102964"	"16659801"	""	""	"CHEMBL236994"	""	""	""	""	"14-(4-chlorophenyl)-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-one"	""	""	"Clc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2NCCOc2cn1"	"FODONWGPMXPGNC-UHFFFAOYSA-N"	"InChI=1S/C17H11ClN4O2S/c18-9-1-3-10(4-2-9)22-8-21-14-12-13-11(24-6-5-19-13)7-20-16(12)25-15(14)17(22)23/h1-4,7-8,19H,5-6H2"	""	""	""
"14258"	"compound 23f [Zhang <i>et al</i>., 2025]"	""	"Synthetic organic"	""	""	""	""	"521588898"	"177746925"	""	""	""	""	""	""	""	""	""	""	"O=C1N(CC=C)N(C2=NC(C(C)(O)C)=CC=C2)C3=NC(NC4=CC=C(N5CCN(CCCCCCC(NO)=O)CC5)C=C4)=NC=C31"	"REOVESUTKQUVLF-UHFFFAOYSA-N"	"InChI=1S/C33H43N9O4/c1-4-17-41-31(44)26-23-34-32(37-30(26)42(41)28-11-9-10-27(36-28)33(2,3)45)35-24-13-15-25(16-14-24)40-21-19-39(20-22-40)18-8-6-5-7-12-29(43)38-46/h4,9-11,13-16,23,45-46H,1,5-8,12,17-22H2,2-3H3,(H,38,43)(H,34,35,37)"	""	""	""
"6338"	"compound 23h [PMID: 17929793]"	""	"Synthetic organic"	""	""	""	""	"178102956"	"16659803"	""	""	"CHEMBL236180"	""	""	""	""	"(5S)-14-(4-chlorophenyl)-5-methyl-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-one"	""	""	"C[C@H]1CNc2c(O1)cnc1c2c2ncn(c(=O)c2s1)c1ccc(cc1)Cl"	"LFUPTQIEOBBAJE-VIFPVBQESA-N"	"InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m0/s1"	""	""	""
"6348"	"compound 23i [PMID: 17929793]"	""	"Synthetic organic"	""	""	""	""	"178102966"	"16659802"	""	""	"CHEMBL241327"	""	""	""	""	"(5R)-14-(4-chlorophenyl)-5-methyl-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-one"	""	""	"C[C@@H]1CNc2c(O1)cnc1c2c2ncn(c(=O)c2s1)c1ccc(cc1)Cl"	"LFUPTQIEOBBAJE-SECBINFHSA-N"	"InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m1/s1"	""	""	""
"7832"	"compound 23n [PMID: 24900877]"	""	"Synthetic organic"	""	""	""	""	"223366163"	"86277844"	""	""	"CHEMBL3287898"	""	""	""	""	"2-[(1r,4r)-4-{4-[(2R)-4-[(2-ethylphenyl)carbamoyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl]phenyl}cyclohexyl]acetic acid"	""	""	"CCc1ccccc1NC(=O)N1C[C@@H](C)Oc2c1ccc(c2)c1ccc(cc1)[C@@H]1CC[C@H](CC1)CC(=O)O"	"PUQLADUSPHHAJY-CQOQZXRMSA-N"	"InChI=1S/C32H36N2O4/c1-3-23-6-4-5-7-28(23)33-32(37)34-20-21(2)38-30-19-27(16-17-29(30)34)26-14-12-25(13-15-26)24-10-8-22(9-11-24)18-31(35)36/h4-7,12-17,19,21-22,24H,3,8-11,18,20H2,1-2H3,(H,33,37)(H,35,36)/t21-,22-,24-/m1/s1"	""	""	""
"8756"	"compound 23 [PMID: 17125252]"	""	"Synthetic organic"	""	""	""	""	"252827414"	"11993875"	""	""	"CHEMBL215134"	""	""	""	""	"(5-phenylthiophen-2-yl)methanamine"	""	""	"NCc1ccc(s1)c1ccccc1"	"PKRPFYKLLXGKDE-UHFFFAOYSA-N"	"InChI=1S/C11H11NS/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-7H,8,12H2"	""	""	""
"6444"	"compound 23 [PMID: 17590335]"	""	"Synthetic organic"	""	""	""	""	"178103060"	"23661671"	""	""	"CHEMBL232188"	""	""	""	""	"3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile"	""	""	"N#Cc1cc(F)cc(c1)c1ccc2c(c1)nc(cc2)C"	"SDOLISUYGVMVBK-UHFFFAOYSA-N"	"InChI=1S/C17H11FN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3"	""	""	""
"8146"	"compound 23 [PMID: 17600705]"	""	"Synthetic organic"	""	""	""	""	"249565826"	"23657507"	""	""	"CHEMBL249317"	""	""	""	""	"3-[[4-(5-hydroxy-2-methylanilino)pyrimidin-2-yl]amino]benzenesulfonamide"	""	""	"Oc1ccc(c(c1)Nc1ccnc(n1)Nc1cccc(c1)S(=O)(=O)N)C"	"LKLIRPMEYRVLFV-UHFFFAOYSA-N"	"InChI=1S/C17H17N5O3S/c1-11-5-6-13(23)10-15(11)21-16-7-8-19-17(22-16)20-12-3-2-4-14(9-12)26(18,24)25/h2-10,23H,1H3,(H2,18,24,25)(H2,19,20,21,22)"	""	""	""
"5740"	"compound 23 [PMID: 21444206]"	""	"Synthetic organic"	""	""	""	""	"178102366"	"54582152"	""	""	"CHEMBL1773292"	""	""	""	""	"tert-butyl 4-{[9-(2-fluoro-4-methanesulfonylphenyl)-8-oxo-8,9-dihydro-7H-purin-6-yl]oxy}piperidine-1-carboxylate"	""	""	"O=C(N1CCC(CC1)Oc1ncnc2c1[nH]c(=O)n2c1ccc(cc1F)S(=O)(=O)C)OC(C)(C)C"	"AXLNAZYMBNKFJO-UHFFFAOYSA-N"	"InChI=1S/C22H26FN5O6S/c1-22(2,3)34-21(30)27-9-7-13(8-10-27)33-19-17-18(24-12-25-19)28(20(29)26-17)16-6-5-14(11-15(16)23)35(4,31)32/h5-6,11-13H,7-10H2,1-4H3,(H,26,29)"	""	""	""
"10445"	"compound 23 [PMID: 31398032]"	""	"Synthetic organic"	""	""	""	""	"385612205"	"139030526"	""	""	""	""	""	""	""	"N-(4-Bromo-3-(piperidin-1-ylsulfonyl)phenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide"	""	""	"O=C(CN1C(=O)NC(C1=O)(C)C1CC1)Nc1ccc(c(c1)S(=O)(=O)N1CCCCC1)Br"	"CDJMQOCUCVPNIU-UHFFFAOYSA-N"	"InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)"	""	""	""
"12833"	"compound 23 [PMID: 33786375]"	""	"Synthetic organic"	""	""	""	""	"483123381"	"155926655"	""	""	"CHEMBL4867191"	""	""	""	""	"5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-ylpyridin-3-yl]-1H-pyrimidine-2,4-dione"	""	"compound 18 [PMID: 34408808]"	"FC1=C(Cl)C=C(C=C1OCC2=CC=CC=C2Cl)C3=CC(=CN(C3=O)C4=CN=CC=C4)C5=CNC(=O)NC5=O"	"FBYZCSUBKCAJAK-UHFFFAOYSA-N"	"InChI=1S/C27H17Cl2FN4O4/c28-21-6-2-1-4-15(21)14-38-23-10-16(9-22(29)24(23)30)19-8-17(20-12-32-27(37)33-25(20)35)13-34(26(19)36)18-5-3-7-31-11-18/h1-13H,14H2,(H2,32,33,35,37)"	""	""	""
"12046"	"compound 23 [PMID: 35767390]"	""	"Synthetic organic"	""	""	""	""	"472319169"	"153616520"	""	""	""	""	""	""	""	""	""	"IL-17 modulator 4"	"n1(nccc1C(=O)N[C@@H](C(C1CC1)C1CC1)C(=O)Nc1ccc(cc1)c1c([nH]nc1C)C)C(C)C"	"CQKVACARDGYEMU-VWLOTQADSA-N"	"InChI=1S/C27H34N6O2/c1-15(2)33-22(13-14-28-33)26(34)30-25(24(19-5-6-19)20-7-8-20)27(35)29-21-11-9-18(10-12-21)23-16(3)31-32-17(23)4/h9-15,19-20,24-25H,5-8H2,1-4H3,(H,29,35)(H,30,34)(H,31,32)/t25-/m0/s1"	""	""	""
"12059"	"compound 23 [PMID: 35816678]"	""	"Synthetic organic"	""	""	""	""	"472319181"	"155749520"	""	""	""	""	""	""	""	"(2R)-4-(3-fluoropyridin-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide"	""	""	"Fc1cnccc1N1C[C@H](N(CC1)C(=O)N[C@H](C)c1cc(ccc1)OC)C"	"CIPXFTLGPVQJKN-HUUCEWRRSA-N"	"InChI=1S/C20H25FN4O2/c1-14-13-24(19-7-8-22-12-18(19)21)9-10-25(14)20(26)23-15(2)16-5-4-6-17(11-16)27-3/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,23,26)/t14-,15-/m1/s1"	""	""	""
"12208"	"compound 23 [PMID: 35944849]"	""	"Synthetic organic"	""	""	""	""	"472319328"	"117993213"	""	""	""	""	""	""	""	"(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-(4-fluorophenyl)-1,3-oxazol-5-yl]cyclohexane-1-carboxamide"	""	""	"Fc1ccc(cc1)c1nc(c(o1)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc(cc1)N1CCS(=O)(=O)CC1"	"SBWFYUHMCHTQJT-JWQCQUIFSA-N"	"InChI=1S/C30H31FN4O4S/c31-22-9-5-21(6-10-22)29-33-26(20-7-11-23(12-8-20)35-15-17-40(37,38)18-16-35)27(39-29)24-3-1-2-4-25(24)28(36)34-30(19-32)13-14-30/h5-12,24-25H,1-4,13-18H2,(H,34,36)/t24-,25-/m1/s1"	""	""	""
"3095"	"compound 23 [PMID: 8709131]"	""	"Synthetic organic"	""	""	""	""	"135649717"	"19077552"	""	""	"CHEMBL317462"	""	""	""	""	"3-[2-(4-phenylphenyl)ethynyl]-1-azabicyclo[2.2.2]octan-3-ol"	""	""	"OC1(CN2CCC1CC2)C#Cc1ccc(cc1)c1ccccc1"	"MWHQFRXYYJSIFR-UHFFFAOYSA-N"	"InChI=1S/C21H21NO/c23-21(16-22-14-11-20(21)12-15-22)13-10-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,20,23H,11-12,14-16H2"	""	""	""
"13558"	"Compound 245A"	""	"Synthetic organic"	""	""	""	""	"500839968"	"59299562"	""	""	"CHEMBL3732182"	""	""	""	""	"3-butyl-8-chloro-3,7-dihydro-1H-purine-2,6-dione"	""	"example 10 [WO2005077950]"	"C(CCC)N1C(NC(C=2NC(=NC12)Cl)=O)=O"	"IWPBNHSYRXVLEI-UHFFFAOYSA-N"	"InChI=1S/C9H11ClN4O2/c1-2-3-4-14-6-5(11-8(10)12-6)7(15)13-9(14)16/h2-4H2,1H3,(H,11,12)(H,13,15,16)"	""	""	""
"8550"	"compound 24dd [PMID: 20684603]"	""	"Synthetic organic"	""	""	""	""	"252166751"	"46900258"	""	""	"CHEMBL1215376"	""	""	""	""	"6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide"	""	""	"NCc1c(C)nc2n(c1c1ccc(cc1Cl)Cl)cc(n2)C(=O)NCCc1ccccn1"	"JGJABGSOYWQCSC-UHFFFAOYSA-N"	"InChI=1S/C22H20Cl2N6O/c1-13-17(11-25)20(16-6-5-14(23)10-18(16)24)30-12-19(29-22(30)28-13)21(31)27-9-7-15-4-2-3-8-26-15/h2-6,8,10,12H,7,9,11,25H2,1H3,(H,27,31)"	""	""	""
"6366"	"compound 24d [PMID: 23357634]"	""	"Synthetic organic"	""	""	""	""	"178102984"	"73755212"	""	""	""	""	""	""	""	"N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]acetamide"	""	""	"CC(=O)N[C@H]1CCC[C@@]2(C1)CN=C(O2)c1cccc(c1)Cl"	"NFPUARSXIMWASK-GOEBONIOSA-N"	"InChI=1S/C16H19ClN2O2/c1-11(20)19-14-6-3-7-16(9-14)10-18-15(21-16)12-4-2-5-13(17)8-12/h2,4-5,8,14H,3,6-7,9-10H2,1H3,(H,19,20)/t14-,16+/m0/s1"	""	""	""
"8131"	"compound 24 [PMID: 15955699]"	""	"Synthetic organic"	""	""	""	""	"249565811"	"44397277"	""	""	"CHEMBL415770"	""	""	""	""	"4-[1-ethyl-7-(piperazin-1-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine"	""	""	"CCn1c(nc2c1c(CN1CCNCC1)cnc2)c1nonc1N"	"OXZLPOLYTISTQY-UHFFFAOYSA-N"	"InChI=1S/C15H20N8O/c1-2-23-13-10(9-22-5-3-17-4-6-22)7-18-8-11(13)19-15(23)12-14(16)21-24-20-12/h7-8,17H,2-6,9H2,1H3,(H2,16,21)"	""	""	""
"7361"	"compound 24 [PMID: 16451050]"	""	"Synthetic organic"	""	""	""	""	"178103933"	"10296561"	""	""	"CHEMBL201945"	""	""	""	""	"(2R)-1-(phenylmethyl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)pyrrolidine-2-carboxamide"	""	"Banyu Compound-24|C-24"	"O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1"	"MAKMQGKJURAJEN-RUZDIDTESA-N"	"InChI=1S/C27H35N3O2/c31-26(25-12-6-17-30(25)20-22-8-2-1-3-9-22)28-15-7-16-29-18-13-27(14-19-29)24-11-5-4-10-23(24)21-32-27/h1-5,8-11,25H,6-7,12-21H2,(H,28,31)/t25-/m1/s1"	""	""	""
"6209"	"compound 24 [PMID: 20346665]"	""	"Synthetic organic"	""	""	""	""	"178102830"	"46866191"	""	""	"CHEMBL1093560"	""	""	""	""	"11,13-diamino-5-(4-methylphenyl)-8-thia-3,5,10,12-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one"	""	""	"Cc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(N)nc(n1)N"	"NGINYBBVZOLUBV-UHFFFAOYSA-N"	"InChI=1S/C15H12N6OS/c1-7-2-4-8(5-3-7)21-6-18-10-9-12(16)19-15(17)20-13(9)23-11(10)14(21)22/h2-6H,1H3,(H4,16,17,19,20)"	""	""	""
"6419"	"compound 24 [PMID: 23374867]"	""	"Synthetic organic"	""	""	""	""	"178103035"	"71559428"	""	""	"CHEMBL2334980"	""	""	""	""	"(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-propylpyridin-2-yl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide"	""	""	"CCCc1cccc(n1)c1c(snc1c1ccc2c(c1)cn(n2)C)NC(=O)[C@@H]1C[C@H]1C"	"DMJNZMXZSQWBRT-RDTXWAMCSA-N"	"InChI=1S/C24H25N5OS/c1-4-6-17-7-5-8-20(25-17)21-22(15-9-10-19-16(12-15)13-29(3)27-19)28-31-24(21)26-23(30)18-11-14(18)2/h5,7-10,12-14,18H,4,6,11H2,1-3H3,(H,26,30)/t14-,18-/m1/s1"	""	""	""
"8147"	"compound 24 [PMID: 23441572]"	""	"Synthetic organic"	""	""	""	""	"249565827"	"71605047"	""	""	"CHEMBL2324924"	""	""	""	""	"3-(2-imidazo[1,2-a]pyrazin-5-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide"	""	""	"CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cncc2n1ccn2)C"	"VSJSIOZQNZPUAV-UHFFFAOYSA-N"	"InChI=1S/C29H27F3N6O/c1-20-3-4-22(15-21(20)6-8-25-17-33-18-27-34-9-10-38(25)27)28(39)35-24-7-5-23(26(16-24)29(30,31)32)19-37-13-11-36(2)12-14-37/h3-5,7,9-10,15-18H,11-14,19H2,1-2H3,(H,35,39)"	""	""	""
"9252"	"compound 24 [PMID: 26987013 ]"	""	"Synthetic organic"	""	""	""	""	"315661327"	"118197428"	""	""	""	""	""	""	""	"4-tert-butyl-N-[7-chloro-2-(2-methyl-1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide"	""	""	"O=C1c2c(ccc(c2C(=O)N1c1ccc[n+](c1C)[O-])Cl)NS(=O)(=O)c1ccc(cc1)C(C)(C)C"	"SEZYEWZALINSCW-UHFFFAOYSA-N"	"InChI=1S/C24H22ClN3O5S/c1-14-19(6-5-13-27(14)31)28-22(29)20-17(25)11-12-18(21(20)23(28)30)26-34(32,33)16-9-7-15(8-10-16)24(2,3)4/h5-13,26H,1-4H3"	"yes"	""	""
"10438"	"compound 24 [PMID: 31343176]"	""	"Synthetic organic"	""	""	""	""	"385612198"	"139030522"	""	""	""	""	""	""	""	"4-Fluoro-N-(2-(5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl)phenyl)benzene-sulfonamide"	""	""	"Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1c1ccc(s1)C(=O)c1cc(F)c(c(c1F)O)F"	"CHVVDDGGNOHSOG-UHFFFAOYSA-N"	"InChI=1S/C23H13F4NO4S2/c24-12-5-7-13(8-6-12)34(31,32)28-17-4-2-1-3-14(17)18-9-10-19(33-18)22(29)15-11-16(25)21(27)23(30)20(15)26/h1-11,28,30H"	""	""	""
"11319"	"compound 24 [PMID: 32959656]"	""	"Synthetic organic"	""	""	""	""	"434321754"	"154733037"	""	""	""	""	""	""	""	"(E)-N1-(6-Chloro-2-(4-(trifluoromethyl)styryl)quinolin-4-yl)-N2,N2-dimethylethane-1,2-diamine"	""	""	"CN(CCNc1cc(/C=C/c2ccc(cc2)C(F)(F)F)nc2c1cc(Cl)cc2)C"	"AOIUKRJIEYZLAU-WEVVVXLNSA-N"	"InChI=1S/C22H21ClF3N3/c1-29(2)12-11-27-21-14-18(28-20-10-8-17(23)13-19(20)21)9-5-15-3-6-16(7-4-15)22(24,25)26/h3-10,13-14H,11-12H2,1-2H3,(H,27,28)/b9-5+"	""	"yes"	""
"12005"	"compound 24 [PMID: 35286090]"	""	"Synthetic organic"	""	""	""	""	"464244146"	"155780813"	""	""	""	""	""	""	""	"2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide"	""	""	"CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2c(cc(NS(=O)(=O)C3(C)CC3)cc2)N2CCC3(CC3)CC2)ccc1"	"MZGYQJDGUVDYIK-UHFFFAOYSA-N"	"InChI=1S/C28H38N4O5S2/c1-26(2,3)31-38(34,35)22-7-5-6-20(18-22)29-25(33)23-9-8-21(30-39(36,37)27(4)10-11-27)19-24(23)32-16-14-28(12-13-28)15-17-32/h5-9,18-19,30-31H,10-17H2,1-4H3,(H,29,33)"	""	""	""
"12399"	"compound 24 [PMID: 36723914]"	""	"Synthetic organic"	""	""	""	""	"479821190"	"167993641"	""	""	""	""	""	""	""	"(R)-(4-{1-benzyl-N-[(1-ethylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamido}phenyl)arsonous acid"	""	""	"C(c1ccccc1)N1C[C@@H](CC1)C(=O)N(CC1CCN(CC1)CC)c1ccc(cc1)[As](O)O"	"LXEHZSWUYHSECE-HSZRJFAPSA-N"	"InChI=1S/C26H36AsN3O3/c1-2-28-15-12-22(13-16-28)19-30(25-10-8-24(9-11-25)27(32)33)26(31)23-14-17-29(20-23)18-21-6-4-3-5-7-21/h3-11,22-23,32-33H,2,12-20H2,1H3/t23-/m1/s1"	""	""	""
"12932"	"compound 25ap [PMID: 37796543]"	""	"Synthetic organic"	""	""	""	""	"485206053"	"169422744"	""	""	""	""	""	""	""	"N-hydroxy-4-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzamide"	""	""	"ONC(C1=CC=C(NC2=NC(NC=3C=CC(=CC3)OCCN4CCCC4)=NC=C2C)C=C1)=O"	"JUIHREVFVXLZPR-UHFFFAOYSA-N"	"InChI=1S/C24H28N6O3/c1-17-16-25-24(28-22(17)26-19-6-4-18(5-7-19)23(31)29-32)27-20-8-10-21(11-9-20)33-15-14-30-12-2-3-13-30/h4-11,16,32H,2-3,12-15H2,1H3,(H,29,31)(H2,25,26,27,28)"	""	""	""
"8139"	"compound 25b [PMID: 22564207]"	""	"Synthetic organic"	""	""	""	""	"249565819"	"57325421"	""	""	"CHEMBL2064666"	""	""	""	""	"(1S,2S,3R,4R)-3-[(5-Chloro-2-{[(7S)-1-methoxy-7-(4-morpholinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino}-4-pyrimidinyl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide"	""	""	"COc1c(ccc2c1CC[C@H](CC2)N1CCOCC1)Nc1ncc(c(n1)N[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)N)C2)Cl"	"LAJAFFLJAJMYLK-CVOKMOJFSA-N"	"InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1"	""	""	""
"11641"	"compound 25c [PMID: 23747811]"	""	"Peptide"	""	""	""	""	"442878668"	"71739586"	""	""	"CHEMBL2402501"	""	""	""	""	"benzyl N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate"	""	""	"CC(C[C@@H](C(=O)N[C@H](C(=O)c1nc2c(s1)cccc2)C[C@@H]1CCNC1=O)NC(=O)OCc1ccccc1)C"	"AJRQIXBBIDPNGK-BVSLBCMMSA-N"	"InChI=1S/C28H32N4O5S/c1-17(2)14-22(32-28(36)37-16-18-8-4-3-5-9-18)26(35)30-21(15-19-12-13-29-25(19)34)24(33)27-31-20-10-6-7-11-23(20)38-27/h3-11,17,19,21-22H,12-16H2,1-2H3,(H,29,34)(H,30,35)(H,32,36)/t19-,21-,22-/m0/s1"	""	""	""
"12334"	"compound 25c [PMID: 36649216]"	""	"Synthetic organic"	""	""	""	""	"479821125"	"167993635"	""	""	""	""	""	""	""	"(4-(4-(((4-Chloro-1H-indazol-3-yl)amino)methyl)benzoyl)piperazin-1-yl)(2,4-dichlorophenyl)methanone"	""	""	"Clc1c2c(n[nH]c2ccc1)NCc1ccc(C(=O)N2CCN(CC2)C(=O)c2c(cc(cc2)Cl)Cl)cc1"	"YXBAJAWZPVUBDW-UHFFFAOYSA-N"	"InChI=1S/C26H22Cl3N5O2/c27-18-8-9-19(21(29)14-18)26(36)34-12-10-33(11-13-34)25(35)17-6-4-16(5-7-17)15-30-24-23-20(28)2-1-3-22(23)31-32-24/h1-9,14H,10-13,15H2,(H2,30,31,32)"	""	""	""
"2997"	"compound 25d [PMID: 19502059]"	""	"Synthetic organic"	""	""	""	""	"135649760"	"56947033"	""	""	"CHEMBL562679"	""	""	""	""	"(3R,5S,6E)-7-[2-(4-fluorophenyl)-4-(3-phenylpentan-3-yl)phenyl]-3,5-dihydroxyhept-6-enoate"	""	""	"CCC(c1ccccc1)(c1ccc(c(c1)c1ccc(cc1)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)CC"	"VICOOSNNZUPVHM-IGPZRPDBSA-M"	"InChI=1S/C30H33FO4/c1-3-30(4-2,23-8-6-5-7-9-23)24-14-10-21(13-17-26(32)19-27(33)20-29(34)35)28(18-24)22-11-15-25(31)16-12-22/h5-18,26-27,32-33H,3-4,19-20H2,1-2H3,(H,34,35)/p-1/b17-13+/t26-,27-/m1/s1"	""	""	""
"9443"	"compound 25e [PMID: 25875054]"	""	"Synthetic organic"	""	""	""	""	"329968383"	"78210300"	""	""	"CHEMBL3314358"	""	""	""	""	"(5-Bromo-1-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl){6-[(dimethylamino)methyl]-(+)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl}methanone"	""	"(5-Bromo-1-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl){6-[(dimethylamino)methyl]-(+)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl}methanone"	"CN(Cc1ccc2c(c1)C(C)CN(C2)C(=O)c1cc2c(n1C)cnc(c2)Br)C"	"BSGIKRCNMBTGEB-UHFFFAOYSA-N"	"InChI=1S/C22H25BrN4O/c1-14-11-27(13-16-6-5-15(7-18(14)16)12-25(2)3)22(28)19-8-17-9-21(23)24-10-20(17)26(19)4/h5-10,14H,11-13H2,1-4H3"	""	""	""
"13102"	"compound 25e [PMID: 38217503]"	""	"Synthetic organic"	""	""	""	""	"491299884"	"170453283"	""	""	""	""	""	""	""	"(S)-2-Amino-4-(bis(5-(tert-butyl)-2-((3-phenylprop-2-yn-1-yl)oxy)benzyl)amino)butanoic Acid"	""	""	"N[C@H](C(O)=O)CCN(CC1=CC(C(C)(C)C)=CC=C1OCC#CC2=CC=CC=C2)CC3=C(OCC#CC4=CC=CC=C4)C=CC(C(C)(C)C)=C3"	"XBGKZFCZOZXKQR-KDXMTYKHSA-N"	"InChI=1S/C44H50N2O4/c1-43(2,3)37-21-23-40(49-27-13-19-33-15-9-7-10-16-33)35(29-37)31-46(26-25-39(45)42(47)48)32-36-30-38(44(4,5)6)22-24-41(36)50-28-14-20-34-17-11-8-12-18-34/h7-12,15-18,21-24,29-30,39H,25-28,31-32,45H2,1-6H3,(H,47,48)/t39-/m0/s1"	""	""	""
"8122"	"compound 25 [PMID: 17935989]"	""	"Synthetic organic"	""	""	""	""	"249565802"	"44444843"	""	""	"CHEMBL248757"	""	""	""	""	""	""	""	"N#Cc1ncc2nc1OCCCCOc1c(NC(=O)N2)cc(Cl)c(c1)NCc1cncs1"	"AZTMYWWWILJAKW-UHFFFAOYSA-N"	"InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)"	""	""	""
"8568"	"compound 25 [PMID: 18068976]"	""	"Synthetic organic"	""	""	""	""	"252166769"	"44447430"	""	""	"CHEMBL442432"	""	""	""	""	"(2-hydroxycyclopentyl) 4-(hydroxycarbamoyl)-4-[[4-(2-methylphenyl)piperidin-1-yl]sulfonylmethyl]piperidine-1-carboxylate"	""	""	"ONC(=O)C1(CCN(CC1)C(=O)OC1CCCC1O)CS(=O)(=O)N1CCC(CC1)c1ccccc1C"	"JRYQAIVHIZIBOQ-UHFFFAOYSA-N"	"InChI=1S/C25H37N3O7S/c1-18-5-2-3-6-20(18)19-9-13-28(14-10-19)36(33,34)17-25(23(30)26-32)11-15-27(16-12-25)24(31)35-22-8-4-7-21(22)29/h2-3,5-6,19,21-22,29,32H,4,7-17H2,1H3,(H,26,30)"	""	""	""
"8159"	"compound 25 [PMID: 20855207]"	""	"Synthetic organic"	""	""	""	""	"249565839"	"46868971"	""	""	"CHEMBL1270399"	""	""	""	""	"3-[(1R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine"	""	""	"C[C@@H]1O[C@H](C)CN(C1)[C@@H](c1nsc(c1)Nc1nc(C)cn2c1ncc2c1c[nH]nc1)C"	"QBWKPGNFQQJGFY-QLFBSQMISA-N"	"InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1"	""	""	""
"2965"	"compound 25 [PMID: 2296027]"	""	"Synthetic organic"	""	""	""	""	"135649814"	"44349317"	""	""	"CHEMBL421614"	""	""	""	""	"(4S,6S)-6-{2-[1,5-bis(4-fluorophenyl)-3-(propan-2-yl)-1H-pyrazol-4-yl]ethyl}-4-hydroxyoxan-2-one"	""	""	"O[C@H]1C[C@H](CCc2c(nn(c2c2ccc(cc2)F)c2ccc(cc2)F)C(C)C)OC(=O)C1"	"CJOOCCJIHMSWOT-SFTDATJTSA-N"	"InChI=1S/C25H26F2N2O3/c1-15(2)24-22(12-11-21-13-20(30)14-23(31)32-21)25(16-3-5-17(26)6-4-16)29(28-24)19-9-7-18(27)8-10-19/h3-10,15,20-21,30H,11-14H2,1-2H3/t20-,21-/m0/s1"	""	""	""
"9700"	"compound 25 [PMID: 28038940]"	""	"Synthetic organic"	""	""	""	""	"348353659"	"131801161"	""	""	""	""	""	""	""	"N-{2-[(5-chloro-2-{[1-(2-methoxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide"	""	""	"COCCn1ncc(c1)Nc1ncc(c(n1)Oc1ccccc1NC(=O)C=C)Cl"	"ORBLOJJZDLUQDF-UHFFFAOYSA-N"	"InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25)"	"yes"	""	""
"10428"	"compound 25 [PMID: 31260299]"	""	"Synthetic organic"	""	""	""	""	"385612188"	"139030520"	""	""	""	""	""	""	""	"4-Amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide"	""	""	"COc1cc2cn[nH]c2cc1c1ccc(c2c1ncc(c2N)C(=O)N)F"	"RFCJOYPMBVRHBV-UHFFFAOYSA-N"	"InChI=1S/C18H14FN5O2/c1-26-14-4-8-6-23-24-13(8)5-10(14)9-2-3-12(19)15-16(20)11(18(21)25)7-22-17(9)15/h2-7H,1H3,(H2,20,22)(H2,21,25)(H,23,24)"	"yes"	""	""
"10677"	"compound 25 [PMID: 32023060]"	""	"Synthetic organic"	""	""	""	""	"404859124"	"138678754"	""	""	""	""	""	""	""	"(2R,4aR)-11-Chloro-9-fluoro-10-(2-fluoro-6-hydroxyphenyl)-2,6-dimethyl-3-(prop-2-enoyl)-2,3,4,4a-tetrahydro-1H-pyrazino[1′,2′:4,5]pyrazino[2,3-c]quinolin-5(6H)-one"	""	""	"C=CC(=O)N1C[C@@H]2C(=O)N(C)c3c(N2C[C@H]1C)c1cc(Cl)c(c(c1nc3)F)c1c(O)cccc1F"	"XDVMVEOFPVCHEL-SJKOYZFVSA-N"	"InChI=1S/C25H21ClF2N4O3/c1-4-19(34)31-11-17-25(35)30(3)16-9-29-23-13(24(16)32(17)10-12(31)2)8-14(26)20(22(23)28)21-15(27)6-5-7-18(21)33/h4-9,12,17,33H,1,10-11H2,2-3H3/t12-,17-/m1/s1"	""	""	""
"10718"	"compound 25 [PMID: 32105470]"	""	"Synthetic organic"	""	""	""	""	"405067312"	"146025594"	""	""	""	""	""	""	""	"2-Chloro-N-(3-(morpholinosulfonyl)-4-(trifluoromethyl)phenyl)acetamide"	""	""	"ClCC(=O)Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)C(F)(F)F"	"XVPZEJHHJYHMIV-UHFFFAOYSA-N"	"InChI=1S/C13H14ClF3N2O4S/c14-8-12(20)18-9-1-2-10(13(15,16)17)11(7-9)24(21,22)19-3-5-23-6-4-19/h1-2,7H,3-6,8H2,(H,18,20)"	"yes"	""	""
"11130"	"compound 25 [PMID: 32687365]"	""	"Synthetic organic"	""	""	""	""	"434122190"	"154699446"	""	""	""	""	""	""	""	"2-(4-((2-Chloro-4-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)benzyl)amino)phenyl)acetic acid"	""	""	"OC(=O)Cc1ccc(cc1)NCc1ccc(cc1Cl)OCc1c(onc1c1c(Cl)cccc1Cl)C(C)C"	"SPZFHDGEKBUECT-UHFFFAOYSA-N"	"InChI=1S/C28H25Cl3N2O4/c1-16(2)28-21(27(33-37-28)26-22(29)4-3-5-23(26)30)15-36-20-11-8-18(24(31)13-20)14-32-19-9-6-17(7-10-19)12-25(34)35/h3-11,13,16,32H,12,14-15H2,1-2H3,(H,34,35)"	"yes"	""	""
"11971"	"compound 25 [PMID: 35439007]"	""	"Synthetic organic"	""	""	""	""	"464244112"	"163358780"	""	""	""	""	""	""	""	"N-{[(2R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}-3-cyano-N-ethyl-4-methoxybenzene-1-sulfonamide"	""	""	"O[C@@H]1[C@H](O)[C@@H](CN(CC)S(=O)(=O)c2ccc(OC)c(C#N)c2)O[C@H]1n1cnc2c1ncnc2N"	"ZHVNWPYRBLBLOS-WVSUBDOOSA-N"	"InChI=1S/C20H23N7O6S/c1-3-26(34(30,31)12-4-5-13(32-2)11(6-12)7-21)8-14-16(28)17(29)20(33-14)27-10-25-15-18(22)23-9-24-19(15)27/h4-6,9-10,14,16-17,20,28-29H,3,8H2,1-2H3,(H2,22,23,24)/t14-,16-,17-,20-/m1/s1"	""	""	""
"10643"	"compound 25 [Zhang <i>et a</i>l., 2020]"	""	"Synthetic organic"	""	""	""	""	"404859090"	"72943563"	""	""	""	""	""	""	""	"(3S,4R)-1-[1-(2-chloro-6-cyclopropylbenzoyl)-4-fluoro-1H-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid"	""	"example 6B [WO2014028600A2]"	"OC(=O)[C@@H]1CCN(C[C@H]1O)c1nn(c2c1c(F)ccc2)C(=O)c1c(Cl)cccc1C1CC1"	"IBIKHMZPHNKTHM-RDTXWAMCSA-N"	"InChI=1S/C23H21ClFN3O4/c24-15-4-1-3-13(12-7-8-12)19(15)22(30)28-17-6-2-5-16(25)20(17)21(26-28)27-10-9-14(23(31)32)18(29)11-27/h1-6,12,14,18,29H,7-11H2,(H,31,32)/t14-,18-/m1/s1"	"yes"	""	""
"6732"	"compound 26a [PMID: 16242323]"	""	"Synthetic organic"	""	""	""	""	"178103343"	"73755242"	""	""	""	""	""	""	""	"1-[4-amino-2,6-di(propan-2-yl)phenyl]-3-[1-butyl-4-[3-(4-methylpentoxy)phenyl]-2-oxo-1,8-naphthyridin-3-yl]urea"	""	""	"CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCC(C)C"	"PRCCYAKPEIWHCQ-UHFFFAOYSA-N"	"InChI=1S/C37H49N5O3/c1-8-9-18-42-35-29(16-11-17-39-35)32(26-14-10-15-28(20-26)45-19-12-13-23(2)3)34(36(42)43)41-37(44)40-33-30(24(4)5)21-27(38)22-31(33)25(6)7/h10-11,14-17,20-25H,8-9,12-13,18-19,38H2,1-7H3,(H2,40,41,44)"	""	""	""
"6733"	"compound 26b [PMID: 16242323]"	""	"Synthetic organic"	""	""	""	""	"178103344"	"45263310"	""	""	"CHEMBL537859"	""	""	""	""	"1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-(1-butyl-2-oxo-4-{3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-1,2-dihydro-1,8-naphthyridin-3-yl)urea dihydrochloride"	""	""	"CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCN1CCCC1.Cl.Cl"	"YRTFLDFDKPFNCJ-UHFFFAOYSA-N"	"InChI=1S/C38H50N6O3.2ClH/c1-6-7-20-44-36-30(15-11-16-40-36)33(27-13-10-14-29(22-27)47-21-12-19-43-17-8-9-18-43)35(37(44)45)42-38(46)41-34-31(25(2)3)23-28(39)24-32(34)26(4)5;;/h10-11,13-16,22-26H,6-9,12,17-21,39H2,1-5H3,(H2,41,42,46);2*1H"	""	""	""
"6734"	"compound 26c [PMID: 16242323]"	""	"Synthetic organic"	""	""	""	""	"178103345"	"73755243"	""	""	""	""	""	""	""	"1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-{1-butyl-4-[3-(3-cyclohexylpropoxy)phenyl]-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl}urea dihydrochloride"	""	""	"CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCC1CCCCC1.Cl.Cl"	"ZFNNBIMQDHBELV-UHFFFAOYSA-N"	"InChI=1S/C40H53N5O3.2ClH/c1-6-7-21-45-38-32(19-12-20-42-38)35(29-17-11-18-31(23-29)48-22-13-16-28-14-9-8-10-15-28)37(39(45)46)44-40(47)43-36-33(26(2)3)24-30(41)25-34(36)27(4)5;;/h11-12,17-20,23-28H,6-10,13-16,21-22,41H2,1-5H3,(H2,43,44,47);2*1H"	""	""	""
"2929"	"compound 26 [PMID: 16190743]"	""	"Synthetic organic"	""	""	""	""	"135649942"	"10430549"	""	""	"CHEMBL194419"	""	""	""	""	"1-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid"	""	"1,2,4-oxadiazole_based compound 26|Merck SIP agonist"	"CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C"	"SHQNRSGKLNMHOS-UHFFFAOYSA-N"	"InChI=1S/C23H25N3O3/c1-15(2)11-16-3-9-19(10-4-16)22-24-21(25-29-22)18-7-5-17(6-8-18)12-26-13-20(14-26)23(27)28/h3-10,15,20H,11-14H2,1-2H3,(H,27,28)"	""	""	""
"6372"	"compound 26 [PMID: 16439120]"	""	"Synthetic organic"	""	""	""	""	"178102990"	"44410045"	""	""	"CHEMBL205146"	""	""	""	""	"2-chloro-6-[(2-methylpyridin-4-yl)methoxy]pyridine-4-carbonitrile"	""	""	"N#Cc1cc(OCc2ccnc(c2)C)nc(c1)Cl"	"MWMMUKIHNXXNGW-UHFFFAOYSA-N"	"InChI=1S/C13H10ClN3O/c1-9-4-10(2-3-16-9)8-18-13-6-11(7-15)5-12(14)17-13/h2-6H,8H2,1H3"	""	""	""
"8783"	"compound 26 [PMID: 21733693]"	""	"Synthetic organic"	""	""	""	""	"252827441"	"46927672"	""	""	"CHEMBL1808264"	""	""	""	""	"2,6-difluoro-N-[2-fluoro-5-[5-[2-[(6-morpholin-4-ylpyridin-3-yl)amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	""	"Example 23 [WO2010104899A1]"	"CC(c1sc(c(n1)c1ccc(c(c1)NS(=O)(=O)c1c(F)cccc1F)F)c1ccnc(n1)Nc1ccc(nc1)N1CCOCC1)C"	"KJUCPVIVNLPLEE-UHFFFAOYSA-N"	"InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)"	""	""	""
"8134"	"compound 26 [PMID: 24673130]"	""	"Synthetic organic"	""	""	""	""	"249565814"	"86703914"	""	""	"CHEMBL3262587"	""	""	""	""	"6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine"	""	""	"Fc1cccc(c1)c1ccc2c(n1)c(N)ncn2"	"TWTLUQDFSDYZKO-UHFFFAOYSA-N"	"InChI=1S/C13H9FN4/c14-9-3-1-2-8(6-9)10-4-5-11-12(18-10)13(15)17-7-16-11/h1-7H,(H2,15,16,17)"	""	""	""
"10602"	"compound 26 [PMID: 31710475]"	""	"Synthetic organic"	""	""	""	""	"404859049"	"142411827"	""	""	""	""	""	""	""	""	""	""	"CN(CCn1ncc(c1)c1ccc2c(c1)C(=O)Nc1cccc(n1)c1n(CCCCO2)cnn1)C"	"JGKCBXMHIQSQHJ-UHFFFAOYSA-N"	"InChI=1S/C25H28N8O2/c1-31(2)11-12-33-16-19(15-27-33)18-8-9-22-20(14-18)25(34)29-23-7-5-6-21(28-23)24-30-26-17-32(24)10-3-4-13-35-22/h5-9,14-17H,3-4,10-13H2,1-2H3,(H,28,29,34)"	"yes"	""	""
"12810"	"compound 26 [PMID: 34543009]"	""	"Synthetic organic"	""	""	""	""	"483123358"	"155908701"	""	""	"CHEMBL4850857"	""	""	""	""	"4-(cyclopentylamino)-2-[(2,5-dibromo-4-methylphenyl)methylamino]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide"	""	"CASK chemical probe 18"	"CC1=C(Br)C=C(CNC2=NC=C(C(=O)NCCCN3CCOC3=O)C(NC4CCCC4)=N2)C(Br)=C1"	"BPLPIBNWDLPUKP-UHFFFAOYSA-N"	"InChI=1S/C24H30Br2N6O3/c1-15-11-20(26)16(12-19(15)25)13-28-23-29-14-18(21(31-23)30-17-5-2-3-6-17)22(33)27-7-4-8-32-9-10-35-24(32)34/h11-12,14,17H,2-10,13H2,1H3,(H,27,33)(H2,28,29,30,31)"	""	""	""
"13580"	"compound 26 [PMID: 39453309]"	""	"Synthetic organic"	""	""	""	""	"504705399"	"172431612"	""	""	""	""	""	""	""	"(2′R,7′R)-7′-(2,4-Dichlorobenzyl)-6′-methylspiro[cyclopropane-1,4′-6,9,16-triaza-1(3,5)-pyridina-3(1,2)-pyrrolidinacyclohexadecaphane]-2′,5′,8′-trione"	""	""	"CN1[C@H](CC2=CC=C(Cl)C=C2Cl)C(=O)NCCCCCCNC3=CN=CC(=C3)C(=O)N4CC5(CC5)C[C@@H]4CC1=O"	"SZWKBXYVDYHRDG-AZGAKELHSA-N"	"InChI=1S/C30H37Cl2N5O3/c1-36-26(13-20-6-7-22(31)14-25(20)32)28(39)35-11-5-3-2-4-10-34-23-12-21(17-33-18-23)29(40)37-19-30(8-9-30)16-24(37)15-27(36)38/h6-7,12,14,17-18,24,26,34H,2-5,8-11,13,15-16,19H2,1H3,(H,35,39)/t24-,26+/m0/s1"	""	""	""
"10218"	"compound 27d [PMID: 28231433]"	""	"Synthetic organic"	""	""	""	""	"381744900"	"137553159"	""	""	""	""	""	""	""	"(R)-N-(3-((4-((2-(Hydroxymethyl)pyrrolidin-1-yl)methyl)benzyl)oxy)phenyl)benzamide"	""	""	"OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)NC(=O)c1ccccc1"	"OHVIRCSJFFPEGC-XMMPIXPASA-N"	"InChI=1S/C26H28N2O3/c29-18-24-9-5-15-28(24)17-20-11-13-21(14-12-20)19-31-25-10-4-8-23(16-25)27-26(30)22-6-2-1-3-7-22/h1-4,6-8,10-14,16,24,29H,5,9,15,17-19H2,(H,27,30)/t24-/m1/s1"	""	""	""
"9238"	"compound 27f [PMID: 25625617]"	""	"Synthetic organic"	""	""	""	""	"315661313"	"66603863"	""	""	"CHEMBL3410084"	""	""	""	""	""	""	""	"O=C(c1ccc(cc1)c1cnc2n1nc(cc2NCC1CCOCC1)NC(C(F)(F)F)(C)C)NC1CC1"	"LVBWRNKEBGYENR-UHFFFAOYSA-N"	"InChI=1S/C26H31F3N6O2/c1-25(2,26(27,28)29)33-22-13-20(30-14-16-9-11-37-12-10-16)23-31-15-21(35(23)34-22)17-3-5-18(6-4-17)24(36)32-19-7-8-19/h3-6,13,15-16,19,30H,7-12,14H2,1-2H3,(H,32,36)(H,33,34)"	""	""	""
"8158"	"compound 27 [PMID: 18337095]"	""	"Synthetic organic"	""	""	""	""	"249565838"	"44453397"	""	""	"CHEMBL255607"	""	""	""	""	"3-[3-(2-aminoethyl)-1H-indol-1-yl]-4-(5-chloro-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione"	""	""	"NCCc1cn(c2c1cccc2)C1=C(C(=O)NC1=O)c1c[nH]c2c1cc(Cl)cc2"	"UPHCEKNUUNYTFE-UHFFFAOYSA-N"	"InChI=1S/C22H17ClN4O2/c23-13-5-6-17-15(9-13)16(10-25-17)19-20(22(29)26-21(19)28)27-11-12(7-8-24)14-3-1-2-4-18(14)27/h1-6,9-11,25H,7-8,24H2,(H,26,28,29)"	""	""	""
"8168"	"compound 27 [PMID: 19854648]"	""	"Synthetic organic"	""	""	""	""	"249565848"	"45375987"	""	""	"CHEMBL573760"	""	""	""	""	"3-{[(2,6-dichlorophenyl)methyl]amino}-6,7-dimethoxy-1H,4H-indeno[1,2-c]pyrazol-4-one"	""	""	"COc1cc2c3[nH]nc(c3C(=O)c2cc1OC)NCc1c(Cl)cccc1Cl"	"UUDNGLPFGYJJQX-UHFFFAOYSA-N"	"InChI=1S/C19H15Cl2N3O3/c1-26-14-6-9-10(7-15(14)27-2)18(25)16-17(9)23-24-19(16)22-8-11-12(20)4-3-5-13(11)21/h3-7H,8H2,1-2H3,(H2,22,23,24)"	""	""	""
"6210"	"compound 27 [PMID: 20346665]"	""	"Synthetic organic"	""	""	""	""	"178102831"	"46866192"	""	""	"CHEMBL1093901"	""	""	""	""	"13-amino-11-methyl-5-(4-methylphenyl)-8-thia-3,5,10,12-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one"	""	""	"Cc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(N)nc(n1)C"	"RIMQNIZNDUNPQK-UHFFFAOYSA-N"	"InChI=1S/C16H13N5OS/c1-8-3-5-10(6-4-8)21-7-18-12-11-14(17)19-9(2)20-15(11)23-13(12)16(21)22/h3-7H,1-2H3,(H2,17,19,20)"	""	""	""
"6437"	"compound 27 [PMID: 20598884]"	""	"Synthetic organic"	""	""	""	""	"178103053"	"46911385"	""	""	"CHEMBL1209202"	""	""	""	""	"N-(3-chlorophenyl)-3-cyano-5-fluorobenzamide"	""	""	"N#Cc1cc(F)cc(c1)C(=O)Nc1cccc(c1)Cl"	"FNDUFJARTKDXEF-UHFFFAOYSA-N"	"InChI=1S/C14H8ClFN2O/c15-11-2-1-3-13(7-11)18-14(19)10-4-9(8-17)5-12(16)6-10/h1-7H,(H,18,19)"	""	""	""
"8210"	"compound 27 [PMID: 21123062]"	""	"Synthetic organic"	""	""	""	""	"249565890"	"50942314"	""	""	"CHEMBL1644812"	""	""	""	""	"2-[[5-chloro-2-[(1-ethyl-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepin-8-yl)amino]pyrimidin-4-yl]amino]-3-fluoro-N-methylbenzamide"	""	""	"CNC(=O)c1cccc(c1Nc1nc(ncc1Cl)Nc1ccc2c(c1)N(CC)C(=O)CCC2(C)C)F"	"KHBUKOVUBUJCGM-UHFFFAOYSA-N"	"InChI=1S/C26H28ClFN6O2/c1-5-34-20-13-15(9-10-17(20)26(2,3)12-11-21(34)35)31-25-30-14-18(27)23(33-25)32-22-16(24(36)29-4)7-6-8-19(22)28/h6-10,13-14H,5,11-12H2,1-4H3,(H,29,36)(H2,30,31,32,33)"	""	""	""
"8757"	"compound 27 [PMID: 22142545]"	""	"Synthetic organic"	""	""	""	""	"252827415"	"46239428"	""	""	"CHEMBL1940053"	""	""	""	""	"4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]-1,4-oxazepane"	""	"SCH-1518291"	"COc1cc(C)c2c(c1)c(CN1CCOCCC1)c1c(n2)n[nH]c1C"	"IPHACPSYWWYGQN-UHFFFAOYSA-N"	"InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)"	""	""	""
"10133"	"compound 27 [PMID: 24900635]"	""	"Synthetic organic"	""	""	""	""	"381118843"	"10113568"	""	""	"CHEMBL247228"	""	""	""	""	"1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea"	""	""	"O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1ccc(cc1)c1coc2c1c(N)ncn2"	"KNDPXYAMINMLED-UHFFFAOYSA-N"	"InChI=1S/C20H13F4N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)"	"yes"	""	""
"9084"	"compound 27 [PMID: 26938474]"	""	"Synthetic organic"	""	""	""	""	"315661169"	"118797287"	""	""	""	""	""	""	""	"5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide"	""	""	"O=C(c1sc2c(c1C)c(=O)[nH]cn2)Nc1nncs1"	"CDWYKQOLMLZLKK-UHFFFAOYSA-N"	"InChI=1S/C10H7N5O2S2/c1-4-5-7(16)11-2-12-9(5)19-6(4)8(17)14-10-15-13-3-18-10/h2-3H,1H3,(H,11,12,16)(H,14,15,17)"	""	""	""
"9973"	"compound 27 [PMID: 29775310]"	""	"Synthetic organic"	""	""	""	""	"374883860"	"129053491"	""	""	""	""	""	""	""	"(2R)-2-[5-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]propanamide"	""	""	"OC[C@H](c1cccc(c1)C)NC(=O)[C@H](N1Cc2c(C1=O)cc(cc2)c1nc(ncc1Cl)NC1CCOCC1)C"	"XHOJEECXVUMYMF-IQGLISFBSA-N"	"InChI=1S/C29H32ClN5O4/c1-17-4-3-5-19(12-17)25(16-36)33-27(37)18(2)35-15-21-7-6-20(13-23(21)28(35)38)26-24(30)14-31-29(34-26)32-22-8-10-39-11-9-22/h3-7,12-14,18,22,25,36H,8-11,15-16H2,1-2H3,(H,33,37)(H,31,32,34)/t18-,25-/m1/s1"	""	""	""
"11112"	"compound 27 [PMID: 32551645]"	""	"Synthetic organic"	""	""	""	""	"434122172"	"154699445"	""	""	""	""	""	""	""	"methyl ethyl({2-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl})phosphinate"	""	""	"CCP(=O)(c1ccc2c(c1)nc(o2)c1ccc(cc1)F)OC"	"MNCZMYLRBLYUPR-UHFFFAOYSA-N"	"InChI=1S/C16H15FNO3P/c1-3-22(19,20-2)13-8-9-15-14(10-13)18-16(21-15)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3"	""	""	""
"11294"	"compound 27 [PMID: 32945666]"	""	"Synthetic organic"	""	""	""	""	"434321729"	"154733033"	""	""	""	""	""	""	""	"6-(4-tert-Butylphenyl)-4-(2-hydroxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile"	""	""	"N#Cc1c(nc2c(c1c1ccccc1O)c(C)nn2c1ccccc1)c1ccc(cc1)C(C)(C)C"	"LIARSLHDKGMNOW-UHFFFAOYSA-N"	"InChI=1S/C30H26N4O/c1-19-26-27(23-12-8-9-13-25(23)35)24(18-31)28(20-14-16-21(17-15-20)30(2,3)4)32-29(26)34(33-19)22-10-6-5-7-11-22/h5-17,35H,1-4H3"	""	"yes"	""
"12062"	"compound 27 [PMID: 35834807]"	""	"Synthetic organic"	""	""	""	""	"472319184"	"164886635"	""	""	""	""	""	""	""	"6-(4,6-Dimorpholino-1,3,5-triazin-2-yl)benzo[d]oxazol-2-amine"	""	""	"Nc1nc2cc(c3nc(N4CCOCC4)nc(N4CCOCC4)n3)ccc2o1"	"LOQNSAZUXOBMAX-UHFFFAOYSA-N"	"InChI=1S/C18H21N7O3/c19-16-20-13-11-12(1-2-14(13)28-16)15-21-17(24-3-7-26-8-4-24)23-18(22-15)25-5-9-27-10-6-25/h1-2,11H,3-10H2,(H2,19,20)"	""	""	""
"12314"	"compound 27 [PMID: 36449304]"	""	"Synthetic organic"	""	""	""	""	"479821105"	"138674003"	""	""	""	""	""	""	""	"2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl]propanamide"	""	"inhibitor T35"	"CC(C)(C(=O)Nc1ccc(cn1)c1cncc(n1)C(F)(F)F)c1csc(n1)NS(=O)(=O)C1CC1"	"CZIDGRDZSFIUHX-UHFFFAOYSA-N"	"InChI=1S/C20H19F3N6O3S2/c1-19(2,15-10-33-18(27-15)29-34(31,32)12-4-5-12)17(30)28-16-6-3-11(7-25-16)13-8-24-9-14(26-13)20(21,22)23/h3,6-10,12H,4-5H2,1-2H3,(H,27,29)(H,25,28,30)"	""	""	""
"11977"	"compound 27 [WO2019226977A1]"	""	"Synthetic organic"	""	""	""	""	"464244118"	"153282971"	""	""	""	""	""	""	""	"2-amino-9-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-ynyl-1H-purine-6,8-dione"	""	""	"Nc1[nH]c(=O)c2n(c(=O)n(c2n1)[C@@H]1O[C@@H]([C@H]([C@H]1O)F)CO)CC#C"	"TVTJUIAKQFIXCE-HUKYDQBMSA-N"	"InChI=1S/C13H14FN5O5/c1-2-3-18-7-9(16-12(15)17-10(7)22)19(13(18)23)11-8(21)6(14)5(4-20)24-11/h1,5-6,8,11,20-21H,3-4H2,(H3,15,16,17,22)/t5-,6-,8-,11-/m1/s1"	""	""	""
"13326"	"compound 28.1 [PMID: 36847646]"	""	"Synthetic organic"	""	""	""	""	"496703296"	"167312460"	""	""	""	""	""	""	""	"4-methyl-N-[2-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine"	""	"TAS2R14 agonist 28.1|TAS2R14 agonist-2"	"CC1=CC(=NC(NC2=C(C=CC=C2)C3=NN=NN3)=N1)C(F)(F)F"	"XXKGCSWBGJTTJM-UHFFFAOYSA-N"	"InChI=1S/C13H10F3N7/c1-7-6-10(13(14,15)16)19-12(17-7)18-9-5-3-2-4-8(9)11-20-22-23-21-11/h2-6H,1H3,(H,17,18,19)(H,20,21,22,23)"	""	""	""
"13921"	"compound 28f [PMID: 40400488]"	""	"Synthetic organic"	""	""	""	""	"513757606"	"171088133"	""	""	""	""	""	""	""	"(2S,3aS,7aS)-1-(1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide"	""	""	"O=C(N[C@@H](C[C@@H]1CCNC1=O)C=O)[C@H]2N([C@]3(CCCC[C@@]3([H])C2)[H])C(C4=CC=5C=CC=CC5N4)=O"	"XGFWDQAMFJXOAX-SPAGYVKCSA-N"	"InChI=1S/C25H30N4O4/c30-14-18(11-17-9-10-26-23(17)31)27-24(32)22-13-16-6-2-4-8-21(16)29(22)25(33)20-12-15-5-1-3-7-19(15)28-20/h1,3,5,7,12,14,16-18,21-22,28H,2,4,6,8-11,13H2,(H,26,31)(H,27,32)/t16-,17-,18-,21-,22-/m0/s1"	""	""	""
"10186"	"compound 28 [Heitel <i>et al</i>., 2019]"	""	"Synthetic organic"	""	""	""	""	"381118896"	"137321166"	""	""	""	""	""	""	""	"1-[4-({[1,1'-biphenyl]-2-yloxy}methyl)phenyl]ethan-1-one"	""	""	"CC(=O)c1ccc(cc1)COc1ccccc1c1ccccc1"	"ZYZDLKZAFQVEKA-UHFFFAOYSA-N"	"InChI=1S/C21H18O2/c1-16(22)18-13-11-17(12-14-18)15-23-21-10-6-5-9-20(21)19-7-3-2-4-8-19/h2-14H,15H2,1H3"	""	""	""
"8619"	"compound 28 [PMID: 16460935]"	""	"Synthetic organic"	""	""	""	""	"252166820"	"11948634"	""	""	"CHEMBL205904"	""	""	""	""	"4-[7-bromo-1-[(2,5-difluorophenyl)methyl]benzimidazol-5-yl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide"	""	""	"CSc1sc(cc1S(=O)(=O)c1cc(Br)c2c(c1)ncn2Cc1cc(F)ccc1F)C(=N)N"	"HEZXZGJJNMPIJM-UHFFFAOYSA-N"	"InChI=1S/C20H15BrF2N4O2S3/c1-30-20-17(7-16(31-20)19(24)25)32(28,29)12-5-13(21)18-15(6-12)26-9-27(18)8-10-4-11(22)2-3-14(10)23/h2-7,9H,8H2,1H3,(H3,24,25)"	""	""	""
"6555"	"compound 28 [PMID: 18324760]"	""	"Synthetic organic"	""	""	""	""	"178103169"	"24827312"	""	""	"CHEMBL260273"	""	""	""	""	"(2S)-2-benzyl-3-{[(2S)-1-[(2S)-2-acetamido-4-methylpentanoyl]pyrrolidin-2-yl](hydroxy)phosphoryl}propanoic acid"	""	""	"CC(C[C@@H](C(=O)N1CCC[C@@H]1P(=O)(C[C@H](C(=O)O)Cc1ccccc1)O)NC(=O)C)C"	"DGMLSHVZZKUDPN-AABGKKOBSA-N"	"InChI=1S/C22H33N2O6P/c1-15(2)12-19(23-16(3)25)21(26)24-11-7-10-20(24)31(29,30)14-18(22(27)28)13-17-8-5-4-6-9-17/h4-6,8-9,15,18-20H,7,10-14H2,1-3H3,(H,23,25)(H,27,28)(H,29,30)/t18-,19+,20+/m1/s1"	""	""	""
"9670"	"compound 28 [PMID: 28671460]"	""	"Synthetic organic"	""	""	""	""	"348353629"	"2835211"	""	""	"CHEMBL581893"	""	""	""	""	"2-(7-methoxy-4-methylquinazolin-2-yl)guanidine"	""	""	"COc1ccc2c(c1)nc(nc2C)N=C(N)N"	"ZJBMSSBTCGJZEE-UHFFFAOYSA-N"	"InChI=1S/C11H13N5O/c1-6-8-4-3-7(17-2)5-9(8)15-11(14-6)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)"	"yes"	""	""
"10195"	"compound 28 [PMID: 30624936]"	""	"Synthetic organic"	""	""	""	""	"381118905"	"135747628"	""	""	""	""	""	""	""	"3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6~{R})-6-methyl-4-oxo-5,6-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one"	""	""	"O=C1N[C@@H](c2c1cc([nH]2)c1cccc2c1nc(NC1(C)CC1)n(c2=O)C1(C)CC1)C"	"WPKXXVMGORDACP-GFCCVEGCSA-N"	"InChI=1S/C23H25N5O2/c1-12-17-15(19(29)24-12)11-16(25-17)13-5-4-6-14-18(13)26-21(27-22(2)7-8-22)28(20(14)30)23(3)9-10-23/h4-6,11-12,25H,7-10H2,1-3H3,(H,24,29)(H,26,27)/t12-/m1/s1"	""	""	""
"10617"	"compound 28 [PMID: 31188540]"	""	"Synthetic organic"	""	""	""	""	"404859064"	"145996531"	""	""	""	""	""	""	""	"N-(3-chloro-4-fluorophenyl)-2-methyl-2-{[4-methyl-3-(morpholinosulfonyl)phenyl]amino}propanamide"	""	""	"O=C(C(Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)C)(C)C)Nc1ccc(c(c1)Cl)F"	"DUBVSWHYPDKVEA-UHFFFAOYSA-N"	"InChI=1S/C21H25ClFN3O4S/c1-14-4-5-16(13-19(14)31(28,29)26-8-10-30-11-9-26)25-21(2,3)20(27)24-15-6-7-18(23)17(22)12-15/h4-7,12-13,25H,8-11H2,1-3H3,(H,24,27)"	""	"yes"	""
"14387"	"compound 28 [PMID: 33900758]"	""	"Synthetic organic"	""	""	""	""	"523352179"	"150703860"	""	""	"CHEMBL5090022"	""	""	""	""	"7-chloro-4-(dimethylamino)-1-phenylquinazolin-2-one"	""	"compound 24 [US11046691]"	"CN(C)C=1C2=CC=C(C=C2N(C(=O)N1)C3=CC=CC=C3)Cl"	"JMLJEYLWRAPHBL-UHFFFAOYSA-N"	"InChI=1S/C16H14ClN3O/c1-19(2)15-13-9-8-11(17)10-14(13)20(16(21)18-15)12-6-4-3-5-7-12/h3-10H,1-2H3"	""	""	""
"11970"	"compound 28 [PMID: 35439002]"	""	"Synthetic organic"	""	""	""	""	"464244111"	"163358779"	""	""	""	""	""	""	""	"(R)-(1-(4-((4-Bromo-3-methyl-5-((phenylsulfonyl)methyl)phenoxy)methyl)benzyl)pyrrolidin-2-yl)methanol"	""	""	"Cc1cc(OCc2ccc(CN3CCC[C@H]3CO)cc2)cc(CS(=O)(=O)c2ccccc2)c1Br"	"HHZHOYGIUZUEII-DEOSSOPVSA-N"	"InChI=1S/C27H30BrNO4S/c1-20-14-25(15-23(27(20)28)19-34(31,32)26-7-3-2-4-8-26)33-18-22-11-9-21(10-12-22)16-29-13-5-6-24(29)17-30/h2-4,7-12,14-15,24,30H,5-6,13,16-19H2,1H3/t24-/m0/s1"	""	""	""
"3113"	"compound 28 [PMID: 7473541]"	""	"Synthetic organic"	""	""	""	""	"135650222"	"44354318"	""	""	"CHEMBL134090"	""	""	""	""	"(E)-ethylidene({[3-(prop-2-en-1-yl)-4-{3-[(propan-2-yl)amino]propoxy}phenyl]methoxy})amine"	""	""	"C=CCc1cc(CO/N=C/C)ccc1OCCCNC(C)C"	"RLGKAOYAKHPRMW-CGOBSMCZSA-N"	"InChI=1S/C18H28N2O2/c1-5-8-17-13-16(14-22-20-6-2)9-10-18(17)21-12-7-11-19-15(3)4/h5-6,9-10,13,15,19H,1,7-8,11-12,14H2,2-4H3/b20-6+"	""	""	""
"2985"	"compound 28 [PMID: 8246233]"	""	"Synthetic organic"	""	""	""	""	"135649767"	"44392528"	""	""	"CHEMBL1161662"	""	""	""	""	"(3R,5S,6E)-7-[5-(4-fluorophenyl)-2-(propan-2-yl)-4-(pyridin-3-yl)-1H-imidazol-1-yl]-3,5-dihydroxyhept-6-enoate"	""	""	"O[C@H](C[C@@H](/C=C/n1c(nc(c1c1ccc(cc1)F)c1cccnc1)C(C)C)O)CC(=O)[O-]"	"ALLUALRNIBGJAM-MBUYQLGJSA-M"	"InChI=1S/C24H26FN3O4/c1-15(2)24-27-22(17-4-3-10-26-14-17)23(16-5-7-18(25)8-6-16)28(24)11-9-19(29)12-20(30)13-21(31)32/h3-11,14-15,19-20,29-30H,12-13H2,1-2H3,(H,31,32)/p-1/b11-9+/t19-,20-/m1/s1"	""	""	""
"8764"	"compound 28xvii [PMID: 8809154]"	""	"Synthetic organic"	""	""	""	""	"252827422"	"10389981"	""	""	"CHEMBL331755"	""	""	""	""	"2-[2-ethyl-1-oxamoyl-3-[[2-(phenylmethyl)phenyl]methyl]indolizin-8-yl]oxyacetic acid"	""	""	"CCc1c(C(=O)C(=O)N)c2n(c1Cc1ccccc1Cc1ccccc1)cccc2OCC(=O)O"	"LNIJDTKDAASOIT-UHFFFAOYSA-N"	"InChI=1S/C28H26N2O5/c1-2-21-22(16-20-12-7-6-11-19(20)15-18-9-4-3-5-10-18)30-14-8-13-23(35-17-24(31)32)26(30)25(21)27(33)28(29)34/h3-14H,2,15-17H2,1H3,(H2,29,34)(H,31,32)"	""	""	""
"5741"	"compound 29a [PMID: 21444206]"	""	"Synthetic organic"	""	""	""	""	"178102367"	"11397354"	""	""	"CHEMBL1773293"	""	""	""	""	"tert-butyl 4-[[3-(4-methylsulfonylphenyl)-[1,2]oxazolo[5,4-e]pyrimidin-7-yl]oxy]piperidine-1-carboxylate"	""	""	"O=C(N1CCC(CC1)Oc1ncnc2c1onc2c1ccc(cc1)S(=O)(=O)C)OC(C)(C)C"	"JYRWUSXRTGACLY-UHFFFAOYSA-N"	"InChI=1S/C22H26N4O6S/c1-22(2,3)31-21(27)26-11-9-15(10-12-26)30-20-19-18(23-13-24-20)17(25-32-19)14-5-7-16(8-6-14)33(4,28)29/h5-8,13,15H,9-12H2,1-4H3"	""	""	""
"6430"	"compound 29b [PMID: 20809633]"	""	"Synthetic organic"	""	""	""	""	"178103046"	"73755220"	""	""	""	""	""	""	""	"2-[5-(3-ethynyl-5-fluorophenyl)-4H,5H,6H,7H,8H-[1,3]oxazolo[4,5-c]azepin-2-yl]pyridine"	""	""	"C#Cc1cc(F)cc(c1)N1CCCc2c(C1)nc(o2)c1ccccn1"	"MVXAKOGJWVQPKC-UHFFFAOYSA-N"	"InChI=1S/C20H16FN3O/c1-2-14-10-15(21)12-16(11-14)24-9-5-7-19-18(13-24)23-20(25-19)17-6-3-4-8-22-17/h1,3-4,6,8,10-12H,5,7,9,13H2"	""	""	""
"8578"	"compound 29e [PMID: 23631440]"	""	"Synthetic organic"	""	""	""	""	"252166779"	"46175162"	""	""	"CHEMBL2380402"	""	""	""	""	"N-[6-oxo-6-[(3S,4S)-3-[(4-phenoxyphenyl)sulfonylamino]-4-sulfanylpyrrolidin-1-yl]hexyl]acetamide"	""	""	"S[C@H]1CN(C[C@@H]1NS(=O)(=O)c1ccc(cc1)Oc1ccccc1)C(=O)CCCCCNC(=O)C"	"MUWDEQLPHWVPPA-GOTSBHOMSA-N"	"InChI=1S/C24H31N3O5S2/c1-18(28)25-15-7-3-6-10-24(29)27-16-22(23(33)17-27)26-34(30,31)21-13-11-20(12-14-21)32-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,22-23,26,33H,3,6-7,10,15-17H2,1H3,(H,25,28)/t22-,23-/m0/s1"	""	""	""
"2959"	"compound 29f [PMID: 17560788]"	""	"Synthetic organic"	""	""	""	""	"135649793"	"56947057"	""	""	"CHEMBL1207350"	""	""	""	""	"4-[({5-[(3R,5R)-6-carboxylato-3,5-dihydroxyhexyl]-1-ethyl-4-(4-fluorophenyl)-3-methyl-1H-pyrrol-2-yl}formamido)methyl]benzoate"	""	""	"CCn1c(C(=O)NCc2ccc(cc2)C(=O)[O-])c(c(c1CC[C@H](C[C@H](CC(=O)[O-])O)O)c1ccc(cc1)F)C"	"MFLMXRSHJVIMRF-DHIUTWEWSA-L"	"InChI=1S/C29H33FN2O7/c1-3-32-24(13-12-22(33)14-23(34)15-25(35)36)26(19-8-10-21(30)11-9-19)17(2)27(32)28(37)31-16-18-4-6-20(7-5-18)29(38)39/h4-11,22-23,33-34H,3,12-16H2,1-2H3,(H,31,37)(H,35,36)(H,38,39)/p-2/t22-,23-/m1/s1"	""	""	""
"9992"	"compound 29 [Moslin <i>et al</i>., 2017]"	""	"Synthetic organic"	""	""	""	""	"374883879"	"134611892"	""	""	""	""	""	""	""	"6-[(3,5-difluoro-2-methoxyphenyl)amino]-N-(3,4-dihydroxy-3-methylbutyl)-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide"	""	""	"COc1c(cc(cc1F)F)Nc1cc(NC)c2n(n1)c(cn2)C(=O)NCCC(CO)(O)C"	"BDYFCJQKSYBTAK-UHFFFAOYSA-N"	"InChI=1S/C20H24F2N6O4/c1-20(31,10-29)4-5-24-19(30)15-9-25-18-14(23-2)8-16(27-28(15)18)26-13-7-11(21)6-12(22)17(13)32-3/h6-9,23,29,31H,4-5,10H2,1-3H3,(H,24,30)(H,26,27)"	"yes"	""	""
"3029"	"compound 29 [PMID: 1527791]"	""	"Synthetic organic"	""	""	""	""	"135649675"	"15931922"	""	""	"CHEMBL115307"	""	""	""	""	"(1S,3R,4aR,7S,8S,8aS)-3-hydroxy-8-{2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl (2S)-2-methylbutanoate"	""	""	"CC[C@@H](C(=O)O[C@H]1C[C@H](O)C[C@H]2[C@H]1[C@@H](CCC1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)C"	"LJOOWESTVASNOG-UFJKPHDISA-N"	"InChI=1S/C23H36O6/c1-4-13(2)23(27)29-20-11-16(24)9-15-6-5-14(3)19(22(15)20)8-7-18-10-17(25)12-21(26)28-18/h5-6,13-20,22,24-25H,4,7-12H2,1-3H3/t13-,14-,15-,16+,17+,18?,19-,20-,22-/m0/s1"	""	""	""
"2995"	"compound 29 [PMID: 15686906]"	""	"Synthetic organic"	""	""	""	""	"135649758"	"44392476"	""	""	"CHEMBL1161644"	""	""	""	""	"(3R,5S,6E)-7-[2,3-bis(4-fluorophenyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyhept-6-enoic acid"	""	""	"O[C@H](C[C@@H](/C=C/n1c(cc(c1c1ccc(cc1)F)c1ccc(cc1)F)C(C)C)O)CC(=O)O"	"NRLBNECCSXRCMS-CXYUPCIPSA-N"	"InChI=1S/C26H27F2NO4/c1-16(2)24-15-23(17-3-7-19(27)8-4-17)26(18-5-9-20(28)10-6-18)29(24)12-11-21(30)13-22(31)14-25(32)33/h3-12,15-16,21-22,30-31H,13-14H2,1-2H3,(H,32,33)/b12-11+/t21-,22-/m1/s1"	""	""	""
"6208"	"compound 29 [PMID: 17064898]"	""	"Synthetic organic"	""	""	""	""	"178102829"	"73755189"	""	""	""	""	""	""	""	"N-cyclohexyl-5-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxamide"	""	""	"OCC1CCN(CC1)c1ncc(nc1)C(=O)NC1CCCCC1"	"JKQOZEOZKKMWQL-UHFFFAOYSA-N"	"InChI=1S/C17H26N4O2/c22-12-13-6-8-21(9-7-13)16-11-18-15(10-19-16)17(23)20-14-4-2-1-3-5-14/h10-11,13-14,22H,1-9,12H2,(H,20,23)"	""	""	""
"2964"	"compound 29 [PMID: 2296027]"	""	"Synthetic organic"	""	""	""	""	"135649815"	"44349330"	""	""	"CHEMBL340848"	""	""	""	""	"(4S,6S)-6-{2-[1-benzyl-5-(4-fluorophenyl)-3-(propan-2-yl)-1H-pyrazol-4-yl]ethyl}-4-hydroxyoxan-2-one"	""	""	"O[C@H]1C[C@H](CCc2c(nn(c2c2ccc(cc2)F)Cc2ccccc2)C(C)C)OC(=O)C1"	"SFTVYVGIXNZCEX-VXKWHMMOSA-N"	"InChI=1S/C26H29FN2O3/c1-17(2)25-23(13-12-22-14-21(30)15-24(31)32-22)26(19-8-10-20(27)11-9-19)29(28-25)16-18-6-4-3-5-7-18/h3-11,17,21-22,30H,12-16H2,1-2H3/t21-,22-/m0/s1"	""	""	""
"10596"	"compound 29 [PMID: 31934767]"	""	"Synthetic organic"	""	""	""	""	"404859043"	"145996526"	""	""	""	""	""	""	""	"3-((2-Amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethynyl)-N-(4-chlorophenyl)-4-methylbenzamide"	""	""	"Clc1ccc(cc1)NC(=O)c1ccc(c(c1)C#Cc1cc(cnc1N)c1cnn(c1)C)C"	"JZKQBPWOWAPASE-UHFFFAOYSA-N"	"InChI=1S/C25H20ClN5O/c1-16-3-4-19(25(32)30-23-9-7-22(26)8-10-23)11-17(16)5-6-18-12-20(13-28-24(18)27)21-14-29-31(2)15-21/h3-4,7-15H,1-2H3,(H2,27,28)(H,30,32)"	"yes"	""	""
"12313"	"compound 29 [PMID: 36356320]"	""	"Synthetic organic"	""	""	""	""	"479821104"	"156273389"	""	""	""	""	""	""	""	"5-[5-[(3S)-oxolan-3-yl]oxy-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(trideuteriomethyl)pyridine-3-carboxamide"	""	""	"O=C(NC([2H])([2H])[2H])c1cc(c2c3nc(O[C@@H]4COCC4)c(c4cn(C(C)C)nc4)cn3nc2)cnc1"	"XKKGIGFZDVPVNO-NGGDXUQASA-N"	"InChI=1S/C23H25N7O3/c1-14(2)29-11-17(9-26-29)20-12-30-21(28-23(20)33-18-4-5-32-13-18)19(10-27-30)15-6-16(8-25-7-15)22(31)24-3/h6-12,14,18H,4-5,13H2,1-3H3,(H,24,31)/t18-/m0/s1/i3D3"	""	""	""
"12651"	"compound 29 [Vietor, <i>et al</i>., 2023]"	""	"Synthetic organic"	""	""	""	""	"483123199"	"168433291"	""	""	""	""	""	""	""	"2-[(3-Fluoro-3′-prop-2-yn-1-yloxy[1,1′-biphenyl]-4-yl)carbamoyl]cyclopent-1-ene-1-carboxylic acid"	""	""	"O=C(C1=C(C(O)=O)CCC1)NC2=C(F)C=C(C3=CC=CC(OCC#C)=C3)C=C2"	"BUJWDBSVEVFQDP-UHFFFAOYSA-N"	"InChI=1S/C22H18FNO4/c1-2-11-28-16-6-3-5-14(12-16)15-9-10-20(19(23)13-15)24-21(25)17-7-4-8-18(17)22(26)27/h1,3,5-6,9-10,12-13H,4,7-8,11H2,(H,24,25)(H,26,27)"	""	""	""
"11596"	"compound 2a [PMID: 34213885]"	""	"Synthetic organic"	""	""	""	""	"442878630"	"156587559"	""	""	""	""	""	""	""	"((1R,3s,5S)-Bicyclo[3.3.1]nonan-3-yl)methyl ((S)-4-Methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)pentan-2-yl)carbamate"	""	""	"O=C[C@@H](NC(=O)[C@@H](NC(=O)OCC1C[C@@H]2CCC[C@H](C1)C2)CC(C)C)C[C@@H]1CCNC1=O"	"YHWWOAJOMPQXED-LEDIMMKISA-N"	"InChI=1S/C24H39N3O5/c1-15(2)8-21(23(30)26-20(13-28)12-19-6-7-25-22(19)29)27-24(31)32-14-18-10-16-4-3-5-17(9-16)11-18/h13,15-21H,3-12,14H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)/t16-,17+,18?,19-,20-,21-/m0/s1"	""	""	""
"3102"	"compound 2a (+) [PMID: 8709131]"	""	"Synthetic organic"	""	""	""	""	"135649726"	"9817140"	""	""	"CHEMBL279261"	""	""	""	""	"3-(4-phenylphenyl)-1-azabicyclo[2.2.2]octan-3-ol"	""	""	"OC1(CN2CCC1CC2)c1ccc(cc1)c1ccccc1"	"WPCQYFUQHBLGAX-UHFFFAOYSA-N"	"InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2"	""	""	""
"3696"	"compound 2b-1 [PMID: 12614873]"	""	"Synthetic organic"	""	""	""	""	"178100585"	"73755059"	""	""	""	""	""	""	""	"2-[(3S)-3-(aminomethyl)piperidine-1-carbonyl]-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide"	""	""	"NC[C@@H]1CCCN(C1)C(=O)c1ccc2c(c1)C(C(=O)NC1CCN(CC1)CC1=CCCCCCCC1)c1c(O2)cccc1"	"AAPRNHKWNGDTOT-UXYOARKHSA-N"	"InChI=1S/C36H48N4O3/c37-23-27-12-9-19-40(25-27)36(42)28-15-16-33-31(22-28)34(30-13-7-8-14-32(30)43-33)35(41)38-29-17-20-39(21-18-29)24-26-10-5-3-1-2-4-6-11-26/h7-8,10,13-16,22,27,29,34H,1-6,9,11-12,17-21,23-25,37H2,(H,38,41)/b26-10+/t27-,34?/m0/s1"	""	""	""
"3004"	"compound 2c [PMID: 2153213]"	""	"Synthetic organic"	""	""	""	""	"135649751"	"56947026"	""	""	"CHEMBL161829"	""	""	""	""	"(3R,5R)-7-[4-(4-fluorophenyl)-2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate"	""	""	"O[C@@H](C[C@H](CC(=O)[O-])O)CCc1c(C)n(c(c1c1ccc(cc1)F)C)c1ccccc1"	"QKLXBIHSGMPUQS-FGZHOGPDSA-M"	"InChI=1S/C25H28FNO4/c1-16-23(13-12-21(28)14-22(29)15-24(30)31)25(18-8-10-19(26)11-9-18)17(2)27(16)20-6-4-3-5-7-20/h3-11,21-22,28-29H,12-15H2,1-2H3,(H,30,31)/p-1/t21-,22-/m1/s1"	""	""	""
"8140"	"compound 2c [PMID: 22115617]"	""	"Synthetic organic"	""	""	""	""	"249565820"	"46943415"	""	""	"CHEMBL1233807"	""	""	""	""	"2-[4,5,6,7-tetrabromo-2-(dimethylamino)benzimidazol-1-yl]acetic acid"	""	""	"OC(=O)Cn1c(nc2c1c(Br)c(Br)c(c2Br)Br)N(C)C"	"PHAOTASRLQMKBE-UHFFFAOYSA-N"	"InChI=1S/C11H9Br4N3O2/c1-17(2)11-16-9-7(14)5(12)6(13)8(15)10(9)18(11)3-4(19)20/h3H2,1-2H3,(H,19,20)"	""	""	""
"8138"	"compound 2c [PMID: 24900538]"	""	"Synthetic organic"	""	""	""	""	"249565818"	"59627005"	""	""	"CHEMBL2151321"	""	""	""	""	"N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine"	""	""	"CC(Oc1[nH]nc(c1)n1cnc2c1nc(cc2)N[C@H](c1ccc(cn1)F)C)C"	"FZBVNCFBCNXULH-LBPRGKRZSA-N"	"InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1"	""	""	""
"13438"	"compound 2c [PMID: 38953866]"	""	"Synthetic organic"	""	""	""	""	"500839848"	"172011800"	""	""	""	""	""	""	""	"((S)-1-(3-Fluorobenzyl)-5-oxopyrrolidin-2-yl)methyl-((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)pentan-2-yl)carbamate"	""	""	"O=C(OC[C@@H]1CCC(N1CC2=CC=CC(F)=C2)=O)N[C@@H](CC(C)C)C(N[C@@H](C[C@H]3C(NCC3)=O)C=O)=O"	"RCEIITLUVHPUBP-QESAQDPVSA-N"	"InChI=1S/C26H35FN4O6/c1-16(2)10-22(25(35)29-20(14-32)12-18-8-9-28-24(18)34)30-26(36)37-15-21-6-7-23(33)31(21)13-17-4-3-5-19(27)11-17/h3-5,11,14,16,18,20-22H,6-10,12-13,15H2,1-2H3,(H,28,34)(H,29,35)(H,30,36)/t18-,20-,21-,22-/m0/s1"	""	""	""
"3003"	"compound 2d [PMID: 2153213]"	""	"Synthetic organic"	""	""	""	""	"135649752"	"56947027"	""	""	"CHEMBL163277"	""	""	""	""	"(3R,5R)-7-[4-(4-fluorophenyl)-2-methyl-1-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate"	""	""	"O[C@@H](C[C@H](CC(=O)[O-])O)CCc1c(C)n(cc1c1ccc(cc1)F)C(C)C"	"LJBGBXVAGFAMLZ-QZTJIDSGSA-M"	"InChI=1S/C21H28FNO4/c1-13(2)23-12-20(15-4-6-16(22)7-5-15)19(14(23)3)9-8-17(24)10-18(25)11-21(26)27/h4-7,12-13,17-18,24-25H,8-11H2,1-3H3,(H,26,27)/p-1/t17-,18-/m1/s1"	""	""	""
"3060"	"compound 2d [PMID: 7629799]"	""	"Synthetic organic"	""	""	""	""	"135649847"	"10405846"	""	""	"CHEMBL88304"	""	""	""	""	"[(6E)-7,11-dimethyl-1-phosphonododeca-6,10-dien-1-yl]phosphonic acid"	""	""	"C/C(=C\CCCCC(P(=O)(O)O)P(=O)(O)O)/CCC=C(C)C"	"JCYZSGYSCXRCHX-UKTHLTGXSA-N"	"InChI=1S/C14H28O6P2/c1-12(2)8-7-10-13(3)9-5-4-6-11-14(21(15,16)17)22(18,19)20/h8-9,14H,4-7,10-11H2,1-3H3,(H2,15,16,17)(H2,18,19,20)/b13-9+"	""	""	""
"7991"	"compound 2 [Dreyer <i>et al</i>., 1991]"	""	"Synthetic organic"	""	""	""	""	"249565672"	"44285668"	""	""	"CHEMBL39312"	""	""	""	""	"(3R,5R)-7-(2,4-dichloro-6-phenylmethoxyphenyl)-3,5-dihydroxyheptanoic acid"	""	""	"O[C@@H](C[C@H](CC(=O)O)O)CCc1c(Cl)cc(cc1OCc1ccccc1)Cl"	"VWKZOIOUHUHQKZ-HZPDHXFCSA-N"	"InChI=1S/C20H22Cl2O5/c21-14-8-18(22)17(7-6-15(23)10-16(24)11-20(25)26)19(9-14)27-12-13-4-2-1-3-5-13/h1-5,8-9,15-16,23-24H,6-7,10-12H2,(H,25,26)/t15-,16-/m1/s1"	""	""	""
"8830"	"compound 2e [PMID: 19013076]"	""	"Synthetic organic"	""	""	""	""	"252827487"	"447181"	""	""	"CHEMBL106820"	""	""	""	""	"(2S)-2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid"	""	"L-VNIO|vinyl-L-NIO"	"NC(=NCCC[C@@H](C(=O)O)N)CC=C"	"LMDRHVQXMBGSGU-ZETCQYMHSA-N"	"InChI=1S/C9H17N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h2,7H,1,3-6,10H2,(H2,11,12)(H,13,14)/t7-/m0/s1"	""	""	""
"10670"	"compound 2e [PMID: 31900320]"	""	"Synthetic organic"	""	""	""	""	"404859117"	"145967606"	""	""	""	""	""	""	""	"N-[(2S,3E)-4-{6-[(7-chloro-2-ethoxy-1,3-benzothiazol-6-yl)oxy]pyridin-3-yl}but-3-en-2-yl]acetamide"	""	""	"CCOc1nc2c(s1)c(Cl)c(cc2)Oc1ccc(cn1)/C=C/[C@@H](NC(=O)C)C"	"CYSWUSAYJNCAKA-FYJFLYSWSA-N"	"InChI=1S/C20H20ClN3O3S/c1-4-26-20-24-15-8-9-16(18(21)19(15)28-20)27-17-10-7-14(11-22-17)6-5-12(2)23-13(3)25/h5-12H,4H2,1-3H3,(H,23,25)/b6-5+/t12-/m0/s1"	""	""	""
"3064"	"compound 2e [PMID: 7629799]"	""	"Synthetic organic"	""	""	""	""	"135649859"	"10339001"	""	""	"CHEMBL87199"	""	""	""	""	"[(7E)-8,12-dimethyl-1-phosphonotrideca-7,11-dien-1-yl]phosphonic acid"	""	""	"C/C(=C\CCCCCC(P(=O)(O)O)P(=O)(O)O)/CCC=C(C)C"	"YCVCYJHGGKYDRH-GXDHUFHOSA-N"	"InChI=1S/C15H30O6P2/c1-13(2)9-8-11-14(3)10-6-4-5-7-12-15(22(16,17)18)23(19,20)21/h9-10,15H,4-8,11-12H2,1-3H3,(H2,16,17,18)(H2,19,20,21)/b14-10+"	""	""	""
"9810"	"compound 2f [Jiang <i>et al.</i>, 2018]"	""	"Synthetic organic"	""	""	""	""	"354702282"	"132427688"	""	""	""	""	""	""	""	"2-(2-cyclopropaneamidopyridin-4-yl)-4-methoxy-N-{3-[(1,2,3,4-tetrahydroacridin-9-yl)amino]propyl}-1,3-thiazole-5-carboxamide"	""	"dual GSK-3&beta;/AChE inhibitor"	"COc1nc(sc1C(=O)NCCCNc1c2CCCCc2nc2c1cccc2)c1ccnc(c1)NC(=O)C1CC1"	"XYSJVXMQSXKJCN-UHFFFAOYSA-N"	"InChI=1S/C30H32N6O3S/c1-39-29-26(40-30(36-29)19-13-16-31-24(17-19)35-27(37)18-11-12-18)28(38)33-15-6-14-32-25-20-7-2-4-9-22(20)34-23-10-5-3-8-21(23)25/h2,4,7,9,13,16-18H,3,5-6,8,10-12,14-15H2,1H3,(H,32,34)(H,33,38)(H,31,35,37)"	""	""	""
"6342"	"compound 2f [PMID: 17532216]"	""	"Synthetic organic"	""	""	""	""	"178102960"	"44442431"	""	""	"CHEMBL245990"	""	""	""	""	"4-[5-(4-chlorophenyl)-6-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1-sulfonamide"	""	""	"Clc1ccc(cc1)n1c(C)nc2c(c1=O)cnn2c1ccc(cc1)S(=O)(=O)N"	"VRNFEVMRDQNBHD-UHFFFAOYSA-N"	"InChI=1S/C18H14ClN5O3S/c1-11-22-17-16(18(25)23(11)13-4-2-12(19)3-5-13)10-21-24(17)14-6-8-15(9-7-14)28(20,26)27/h2-10H,1H3,(H2,20,26,27)"	""	""	""
"3007"	"compound 2f [PMID: 2153213]"	""	"Synthetic organic"	""	""	""	""	"135649746"	"56947023"	""	""	"CHEMBL159951"	""	""	""	""	"(3R,5R)-7-[1-cyclohexyl-4-(4-fluorophenyl)-2-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate"	""	""	"O[C@@H](C[C@H](CC(=O)[O-])O)CCc1c(C(C)C)n(cc1c1ccc(cc1)F)C1CCCCC1"	"RODBEKUWCLMBSW-FGZHOGPDSA-M"	"InChI=1S/C26H36FNO4/c1-17(2)26-23(13-12-21(29)14-22(30)15-25(31)32)24(18-8-10-19(27)11-9-18)16-28(26)20-6-4-3-5-7-20/h8-11,16-17,20-22,29-30H,3-7,12-15H2,1-2H3,(H,31,32)/p-1/t21-,22-/m1/s1"	""	""	""
"5791"	"compound 2g [PMID: 19309152]"	""	"Synthetic organic"	""	""	""	""	"178102416"	"11494579"	""	""	"CHEMBL482768"	""	""	""	""	"2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid"	""	""	"O=C(Nc1ccccc1C(=O)O)CCc1cnn2c1CCc1c2ccc(c1)O"	"PCUNTWOSLIUDRR-UHFFFAOYSA-N"	"InChI=1S/C21H19N3O4/c25-15-7-9-18-13(11-15)5-8-19-14(12-22-24(18)19)6-10-20(26)23-17-4-2-1-3-16(17)21(27)28/h1-4,7,9,11-12,25H,5-6,8,10H2,(H,23,26)(H,27,28)"	""	""	""
"2971"	"compound 2g [PMID: 2296036]"	""	"Synthetic organic"	""	""	""	""	"135649812"	"44370417"	""	""	""	""	""	""	""	"(4R)-6-[(E)-2-[6-tert-butyl-4-(4-fluorophenyl)-2-(propan-2-yl)pyridin-3-yl]ethenyl]-4-hydroxyoxan-2-one"	""	""	"O[C@H]1CC(=O)OC(C1)/C=C/c1c(nc(cc1c1ccc(cc1)F)C(C)(C)C)C(C)C"	"VPMIAOSOTOODMY-KJAPKAAFSA-N"	"InChI=1S/C25H30FNO3/c1-15(2)24-20(11-10-19-12-18(28)13-23(29)30-19)21(14-22(27-24)25(3,4)5)16-6-8-17(26)9-7-16/h6-11,14-15,18-19,28H,12-13H2,1-5H3/b11-10+/t18-,19?/m1/s1"	""	""	""
"9682"	"compound 2g [PMID: 27390066]"	""	"Synthetic organic"	""	""	""	""	"348353641"	"118720630"	""	""	"CHEMBL3355101"	""	""	""	""	"2-[[[1-amino-3-(4-nitrophenyl)propyl]-hydroxyphosphoryl]methyl]-3-phenylpropanoic acid"	""	""	"OC(=O)C(CP(=O)(C(CCc1ccc(cc1)[N+](=O)[O-])N)O)Cc1ccccc1"	"YSYQXQQIKOEBNN-UHFFFAOYSA-N"	"InChI=1S/C19H23N2O6P/c20-18(11-8-14-6-9-17(10-7-14)21(24)25)28(26,27)13-16(19(22)23)12-15-4-2-1-3-5-15/h1-7,9-10,16,18H,8,11-13,20H2,(H,22,23)(H,26,27)"	"yes"	""	""
"10604"	"compound 2h [PMID: 30664827]"	""	"Synthetic organic"	""	""	""	""	"404859051"	"145996529"	""	""	""	""	""	""	""	"N-(2-(benzylamino)-2-oxoethyl)-N-(4-(hydroxycarbamoyl)benzyl)-4-isopropylbenzamide"	""	""	"ONC(=O)c1ccc(cc1)CN(C(=O)c1ccc(cc1)C(C)C)CC(=O)NCc1ccccc1"	"REDUQXCPUSNJOL-UHFFFAOYSA-N"	"InChI=1S/C27H29N3O4/c1-19(2)22-12-14-24(15-13-22)27(33)30(17-21-8-10-23(11-9-21)26(32)29-34)18-25(31)28-16-20-6-4-3-5-7-20/h3-15,19,34H,16-18H2,1-2H3,(H,28,31)(H,29,32)"	""	"yes"	""
"11630"	"compound 2i [PMID: 23245752]"	""	"Synthetic organic"	""	""	""	""	"442878664"	"71508882"	""	""	"CHEMBL2316746"	""	""	""	""	""	""	""	"O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nc2c(s1)cccc2)C[C@@H]1CCNC1=O)CC(C)C)C(C)C)OCc1ccccc1"	"KSCRVOKQPYZBHZ-IXPOFIJOSA-N"	"InChI=1S/C33H41N5O6S/c1-19(2)16-25(36-31(42)27(20(3)4)38-33(43)44-18-21-10-6-5-7-11-21)30(41)35-24(17-22-14-15-34-29(22)40)28(39)32-37-23-12-8-9-13-26(23)45-32/h5-13,19-20,22,24-25,27H,14-18H2,1-4H3,(H,34,40)(H,35,41)(H,36,42)(H,38,43)/t22-,24-,25-,27-/m0/s1"	""	""	""
"14451"	"compound 2j [PMID: 41873579]"	""	"Synthetic organic"	""	""	""	""	"528429772"	"176230040"	""	""	""	""	""	""	""	"N-[4-fluoro-2-(oxan-4-yloxy)phenyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-4-amine"	""	"Example 6 [CN119775274A]"	"FC=1C=CC(=C(C1)OC2CCOCC2)NC3=C4C(C=CC(C5=CN(C6CCNCC6)N=C5)=N4)=NC=N3"	"DNZZTNFEDWXBOJ-UHFFFAOYSA-N"	"InChI=1S/C26H28FN7O2/c27-18-1-2-22(24(13-18)36-20-7-11-35-12-8-20)33-26-25-23(29-16-30-26)4-3-21(32-25)17-14-31-34(15-17)19-5-9-28-10-6-19/h1-4,13-16,19-20,28H,5-12H2,(H,29,30,33)"	""	""	""
"8823"	"compound 2 [Maurer <i>et al.</i>, 2012]"	""	"Synthetic organic"	""	""	""	""	"252827480"	"2248572"	""	""	"CHEMBL2203548"	""	""	""	""	"(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione"	""	""	"C=CCN1C(=S)NC(=O)/C(=C\c2ccc(o2)c2cccc(c2Cl)Cl)/C1=O"	"NASLGRREAVKNNT-FMIVXFBMSA-N"	"InChI=1S/C18H12Cl2N2O3S/c1-2-8-22-17(24)12(16(23)21-18(22)26)9-10-6-7-14(25-10)11-4-3-5-13(19)15(11)20/h2-7,9H,1,8H2,(H,21,23,26)/b12-9+"	""	""	""
"1292"	"compound 2 [PMID: 11375253]"	""	"Peptide"	""	""	""	""	"135652061"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8562"	"compound 2 [PMID: 11934595]"	""	"Synthetic organic"	""	""	""	""	"252166763"	"44274134"	""	""	"CHEMBL282896"	""	""	""	""	"(2R)-2-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide"	""	""	"ONC(=O)[C@H](N(S(=O)(=O)c1ccc(cc1)OC)Cc1ccc2c(c1)OCO2)Cc1cccs1"	"PGEHBYYTLWHQOM-LJQANCHMSA-N"	"InChI=1S/C22H22N2O7S2/c1-29-16-5-7-18(8-6-16)33(27,28)24(13-15-4-9-20-21(11-15)31-14-30-20)19(22(25)23-26)12-17-3-2-10-32-17/h2-11,19,26H,12-14H2,1H3,(H,23,25)/t19-/m1/s1"	""	""	""
"8136"	"compound 2 [PMID: 15546730]"	""	"Synthetic organic"	""	""	""	""	"249565816"	"11153014"	""	""	"CHEMBL364623"	""	""	""	""	"N-(2-chloro-6-methylphenyl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide"	""	""	"Cc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(n1)C"	"WFRLFWGASBLYTC-UHFFFAOYSA-N"	"InChI=1S/C17H16ClN5OS/c1-9-5-4-6-12(18)15(9)23-16(24)13-8-19-17(25-13)22-14-7-10(2)20-11(3)21-14/h4-8H,1-3H3,(H,23,24)(H,19,20,21,22)"	""	""	""
"3156"	"compound 2 [PMID: 18295483]"	""	"Synthetic organic"	""	""	""	""	"135649659"	"54733935"	""	""	"CHEMBL269960"	""	""	""	""	"1-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide"	""	""	"OC1=C(C(=O)Nc2ccc(cc2)C2CCCCC2)C(=O)N(C1)Cc1ccccc1"	"JKRIQNNJCFTRAF-UHFFFAOYSA-N"	"InChI=1S/C24H26N2O3/c27-21-16-26(15-17-7-3-1-4-8-17)24(29)22(21)23(28)25-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,27H,2,5-6,9-10,15-16H2,(H,25,28)"	""	""	""
"8646"	"compound 2 [PMID: 19097784]"	""	"Synthetic organic"	""	""	""	""	"252166846"	"91827384"	""	""	""	""	""	""	""	"1-[5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophen-2-yl]ethen-1-amine"	""	""	"COc1cc2c(cc1OC)ncn2c1cc(c(s1)C(=C)N)OCc1ccccc1C(F)(F)F"	"SYQIMXCJFHFKLG-UHFFFAOYSA-N"	"InChI=1S/C23H20F3N3O3S/c1-13(27)22-20(32-11-14-6-4-5-7-15(14)23(24,25)26)10-21(33-22)29-12-28-16-8-18(30-2)19(31-3)9-17(16)29/h4-10,12H,1,11,27H2,2-3H3"	""	""	""
"5530"	"compound 2 [PMID: 19230660]"	""	"Synthetic organic"	""	""	""	""	"178102172"	"135407952"	""	""	"CHEMBL463274"	""	""	""	""	""	""	""	"CN1CCCN(CC1)C(=O)c1ccc2c(c1)nc1n2[C@@H](C(C)C)C(=O)Nc2c1cc(cc2)NC1CCCCCC1"	"MZUNJRMUTJBHGB-LJAQVGFWSA-N"	"InChI=1S/C32H42N6O2/c1-21(2)29-31(39)35-26-13-12-24(33-23-9-6-4-5-7-10-23)20-25(26)30-34-27-19-22(11-14-28(27)38(29)30)32(40)37-16-8-15-36(3)17-18-37/h11-14,19-21,23,29,33H,4-10,15-18H2,1-3H3,(H,35,39)/t29-/m0/s1"	""	""	""
"6222"	"compound 2 [PMID: 21105727]"	""	"Synthetic organic"	""	""	""	""	"178102843"	"49836087"	""	""	"CHEMBL1630805"	""	""	""	""	"(6E)-N-(4-chlorophenyl)-6-(hydroxyimino)-2-oxatricyclo[5.4.0.0^{3,5}]undeca-1(11),7,9-triene-3-carboxamide"	""	""	"O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)Cl"	"ZRURMLHGCOJTNX-HKWRFOASSA-N"	"InChI=1S/C17H13ClN2O3/c18-10-5-7-11(8-6-10)19-16(21)17-9-13(17)15(20-22)12-3-1-2-4-14(12)23-17/h1-8,13,22H,9H2,(H,19,21)/b20-15-"	""	""	""
"8149"	"compound 2 [PMID: 21627121]"	""	"Synthetic organic"	""	""	""	""	"249565829"	"16662746"	""	""	"CHEMBL1802381"	""	""	""	""	"(3Z)-5-(2-chloroacetyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one"	""	""	"ClCC(=O)c1ccc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2"	"SEPHEVMRHYRRLS-GHXNOFRVSA-N"	"InChI=1S/C15H11ClN2O2/c16-8-14(19)9-3-4-13-11(6-9)12(15(20)18-13)7-10-2-1-5-17-10/h1-7,17H,8H2,(H,18,20)/b12-7-"	""	""	""
"5744"	"compound 2 [PMID: 21939274]"	""	"Synthetic organic"	""	""	""	""	"178102370"	"73755152"	""	""	""	""	""	""	""	"5-(4-cyano-3-methylphenyl)-2-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pyridine-3-carbonitrile"	""	""	"N#Cc1cc(cnc1N1CCC(CC1)c1onc(n1)C(C)C)c1ccc(c(c1)C)C#N"	"TXALYVIWRLTFFP-UHFFFAOYSA-N"	"InChI=1S/C24H24N6O/c1-15(2)22-28-24(31-29-22)17-6-8-30(9-7-17)23-20(13-26)11-21(14-27-23)18-4-5-19(12-25)16(3)10-18/h4-5,10-11,14-15,17H,6-9H2,1-3H3"	""	""	""
"8829"	"compound 2 [PMID: 22380603]"	""	"Synthetic organic"	""	""	""	""	"252827486"	"135492054"	""	""	"CHEMBL1338248"	""	""	""	""	"5-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[5,4-e]pyrimidin-5-yl)phenyl]sulfonylamino]-2-hydroxybenzoic acid"	""	""	"CCCc1nn(c2c1[nH]c(nc2=O)c1cc(ccc1OCC)S(=O)(=O)Nc1ccc(c(c1)C(=O)O)O)C"	"HQWXZTRYIWULAX-UHFFFAOYSA-N"	"InChI=1S/C24H25N5O7S/c1-4-6-17-20-21(29(3)27-17)23(31)26-22(25-20)16-12-14(8-10-19(16)36-5-2)37(34,35)28-13-7-9-18(30)15(11-13)24(32)33/h7-12,28,30H,4-6H2,1-3H3,(H,32,33)(H,25,26,31)"	""	""	""
"8115"	"compound 2 [PMID: 22560567]"	""	"Synthetic organic"	""	""	""	""	"249565795"	"939111"	""	""	"CHEMBL501724"	""	""	""	""	"4-(4-hydroxy-3-methylphenyl)-6-phenyl-1,2-dihydropyrimidin-2-one"	""	""	"Oc1ccc(cc1C)c1nc(=O)[nH]c(c1)c1ccccc1"	"MHPMAOLCNNEBOA-UHFFFAOYSA-N"	"InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)"	""	""	""
"6950"	"compound 2 [PMID: 22911925]"	""	"Synthetic organic"	""	""	""	""	"178103532"	"60202321"	""	""	"CHEMBL2181911"	""	""	""	""	"(2R)-N-[(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxypropanamide"	""	"compound 37 [PMID: 22468684]"	"CO[C@@H](C(=O)N[C@H]([C@@H](CN[C@H]1CC2(CCC2)Oc2c1cc(cn2)CC(C)(C)C)O)Cc1cccc(c1)c1nccs1)C"	"IUSARDYWEPUTPN-OZBXUNDUSA-N"	"InChI=1S/C33H44N4O4S/c1-21(40-5)29(39)37-26(16-22-8-6-9-24(14-22)31-34-12-13-42-31)28(38)20-35-27-18-33(10-7-11-33)41-30-25(27)15-23(19-36-30)17-32(2,3)4/h6,8-9,12-15,19,21,26-28,35,38H,7,10-11,16-18,20H2,1-5H3,(H,37,39)/t21-,26+,27+,28-/m1/s1"	""	""	""
"8467"	"compound 2 [PMID: 24486398]"	""	"Synthetic organic"	""	""	""	""	"252166677"	"86279608"	""	""	""	""	""	""	""	"4-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]cyclohexane-1-carboxamide"	""	""	"C[C@@H]1CC[C@H](CC1)C(=O)Nc1nc(c(s1)CC(=O)N1CCN(CC1)C)c1cccs1"	"ZLQAEANISSHOLB-WKILWMFISA-N"	"InChI=1S/C22H30N4O2S2/c1-15-5-7-16(8-6-15)21(28)24-22-23-20(17-4-3-13-29-17)18(30-22)14-19(27)26-11-9-25(2)10-12-26/h3-4,13,15-16H,5-12,14H2,1-2H3,(H,23,24,28)/t15-,16-"	""	""	""
"7798"	"compound 2 [PMID: 24793972]"	""	"Synthetic organic"	""	""	""	""	"223366129"	"58466521"	""	""	""	""	""	""	""	"(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide"	""	"(1R,2R)-2-PCCA"	"CCCc1ccc(cc1)c1ccc(cc1)N(C(=O)[C@@H]1C[C@H]1c1ccccn1)C[C@H]([C@H](CC)C)N"	"OBGKRTYDTRUMGO-RFNYNIMXSA-N"	"InChI=1S/C30H37N3O/c1-4-8-22-10-12-23(13-11-22)24-14-16-25(17-15-24)33(20-28(31)21(3)5-2)30(34)27-19-26(27)29-9-6-7-18-32-29/h6-7,9-18,21,26-28H,4-5,8,19-20,31H2,1-3H3/t21-,26+,27+,28+/m0/s1"	""	""	""
"7810"	"compound 2 [PMID: 25408830]"	""	"Synthetic organic"	""	""	""	""	"223366141"	"1253361"	""	""	"CHEMBL1444120"	""	""	""	""	"N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide"	""	""	"Cc1ccc(c(c1)C)S(=O)(=O)Nc1ccc2c(c1)n(C)c(=O)n2C"	"HVGVNYJRZJHYBS-UHFFFAOYSA-N"	"InChI=1S/C17H19N3O3S/c1-11-5-8-16(12(2)9-11)24(22,23)18-13-6-7-14-15(10-13)20(4)17(21)19(14)3/h5-10,18H,1-4H3"	""	""	""
"8548"	"compound 2 [PMID: 26061392]"	""	"Synthetic organic"	""	""	""	""	"252166749"	"91827370"	""	""	""	""	""	""	""	"N‐{3‐[5‐(4‐chlorophenyl)‐1‐[(4,5‐dimethoxy‐2‐nitrophenyl)methyl]‐1H‐pyrrolo[2,3‐b]pyridine‐3‐carbonyl]‐2,4‐difluorophenyl}propane‐1‐sulfonamide"	""	"caged vemurafenib prodrug"	"CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1cn(c2c1cc(cn2)c1ccc(cc1)Cl)Cc1cc(OC)c(cc1N(=O)=O)OC)F"	"JMMXKBJIBAVJSU-UHFFFAOYSA-N"	"InChI=1S/C32H27ClF2N4O7S/c1-4-11-47(43,44)37-25-10-9-24(34)29(30(25)35)31(40)23-17-38(16-20-13-27(45-2)28(46-3)14-26(20)39(41)42)32-22(23)12-19(15-36-32)18-5-7-21(33)8-6-18/h5-10,12-15,17,37H,4,11,16H2,1-3H3"	""	""	""
"11931"	"compound 2 [PMID: 28379944]"	""	"Synthetic organic"	""	""	""	""	"461663486"	"126456406"	""	""	""	""	""	""	""	"N-(furan-2-ylmethyl)-N-[4-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide"	""	""	"CCCc1nc2c(cc(cc2)N(Cc2ccco2)C(=O)c2ccccc2)c(=O)n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1"	"SYDVEZUPFQXMSM-UHFFFAOYSA-N"	"InChI=1S/C37H31N7O3/c1-2-9-34-38-33-20-19-28(43(24-29-12-8-21-47-29)36(45)27-10-4-3-5-11-27)22-32(33)37(46)44(34)23-25-15-17-26(18-16-25)30-13-6-7-14-31(30)35-39-41-42-40-35/h3-8,10-22H,2,9,23-24H2,1H3,(H,39,40,41,42)"	""	""	""
"11282"	"compound 2 [PMID: 28621538]"	""	"Synthetic organic"	""	""	""	""	"434321717"	"86673884"	""	""	"CHEMBL3683753"	""	""	""	""	"1-[2-[(1R,3S,5R)-3-[(6-bromopyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide"	""	"example 727 [WO2012093101A1]"	"Brc1cccc(n1)NC(=O)[C@@H]1C[C@@H]2[C@H](N1C(=O)Cn1nc(c3c1cccc3)C(=O)N)C2"	"CWZUTHDJLNZLCM-DFBGVHRSSA-N"	"InChI=1S/C21H19BrN6O3/c22-16-6-3-7-17(24-16)25-21(31)15-9-11-8-14(11)28(15)18(29)10-27-13-5-2-1-4-12(13)19(26-27)20(23)30/h1-7,11,14-15H,8-10H2,(H2,23,30)(H,24,25,31)/t11-,14-,15+/m1/s1"	"yes"	""	""
"11197"	"compound 2 [PMID: 31932225]"	""	"Synthetic organic"	""	""	""	""	"434122257"	"154699458"	""	""	""	""	""	""	""	"1-[2-chloro-4-ethoxy-5-(morpholin-4-yl)benzoyl]-3-{6-[(4-methylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-yl}urea"	""	"AZ2"	"CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)NC(=O)Nc1nc2c(s1)cc(cc2)CN1CCN(CC1)C"	"NNVMPPRFBOTMMO-UHFFFAOYSA-N"	"InChI=1S/C27H33ClN6O4S/c1-3-38-23-16-20(28)19(15-22(23)34-10-12-37-13-11-34)25(35)30-26(36)31-27-29-21-5-4-18(14-24(21)39-27)17-33-8-6-32(2)7-9-33/h4-5,14-16H,3,6-13,17H2,1-2H3,(H2,29,30,31,35,36)"	""	""	""
"11322"	"compound 2 [PMID: 33085774]"	""	"Synthetic organic"	""	""	""	""	"434321757"	"25177840"	""	""	"CHEMBL2041388"	""	""	""	""	"(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-3-[3-[(7-chloroquinolin-4-yl)amino]propoxy]-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one"	""	""	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2OCCCNc2ccnc3c2ccc(c3)Cl)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O"	"KZRUOZJPVVJKAE-ZPHCEPPYSA-N"	"InChI=1S/C50H83ClN4O12/c1-15-39-50(10,60)43(56)32(6)55(13)27-28(2)25-48(8,59)45(30(4)41(31(5)46(58)65-39)66-40-26-49(9,61-14)44(57)33(7)64-40)67-47-42(38(54(11)12)23-29(3)63-47)62-22-16-20-52-36-19-21-53-37-24-34(51)17-18-35(36)37/h17-19,21,24,28-33,38-45,47,56-57,59-60H,15-16,20,22-23,25-27H2,1-14H3,(H,52,53)/t28-,29-,30+,31-,32-,33+,38+,39-,40+,41+,42-,43-,44+,45-,47+,48-,49-,50-/m1/s1"	""	"yes"	""
"13027"	"compound 2 [PMID: 33647232]"	""	"Synthetic organic"	""	""	""	""	"485206148"	"155289332"	""	""	""	""	""	""	""	"N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide"	""	""	"CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)NC3=C(C)C(C)=CC(=C3)S(N)(=O)=O"	"GGIKQVGRVUTAKR-UHFFFAOYSA-N"	"InChI=1S/C19H19N3O3S2/c1-11-8-16(27(20,24)25)9-17(12(11)2)22-19(23)15-6-4-14(5-7-15)18-10-26-13(3)21-18/h4-10H,1-3H3,(H,22,23)(H2,20,24,25)"	""	""	""
"6566"	"compound 2 [PMID: 8410973]"	""	"Synthetic organic"	""	""	""	""	"178103180"	"15126552"	""	""	"CHEMBL313773"	""	""	""	""	"(2S)-N-[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-4-{[(2S)-2-methylbutyl]carbamoyl}butan-2-yl]-2-[(2S)-2-[(morpholine-4-sulfonyl)amino]-3-phenylpropanamido]pent-4-enamide"	""	""	"CC[C@@H](CNC(=O)C([C@@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NS(=O)(=O)N1CCOCC1)Cc1ccccc1)CC=C)CC1CCCCC1)O)(F)F)C"	"SXQPECMJHHMDFO-DUGYJJFCSA-N"	"InChI=1S/C34H53F2N5O7S/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-49(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-30,40,42H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27-,28-,29-,30+/m0/s1"	""	""	""
"10365"	"compound 2q [PMID: 30986068]"	""	"Synthetic organic"	""	""	""	""	"384403645"	"118556943"	""	""	""	""	""	""	""	"[(3S)-3-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]oxypyrrolidin-1-yl]-(oxan-4-yl)methanone"	""	"example 2-8 [US20150353552]"	"CCn1ncc(c1C)c1nc2c(n1C)ncnc2O[C@H]1CCN(C1)C(=O)C1CCOCC1"	"FHKPLLOSJHHKNU-INIZCTEOSA-N"	"InChI=1S/C22H29N7O3/c1-4-29-14(2)17(11-25-29)19-26-18-20(27(19)3)23-13-24-21(18)32-16-5-8-28(12-16)22(30)15-6-9-31-10-7-15/h11,13,15-16H,4-10,12H2,1-3H3/t16-/m0/s1"	"yes"	""	""
"2972"	"compound 2t [PMID: 2296036]"	""	"Synthetic organic"	""	""	""	""	"135649811"	"73348335"	""	""	"CHEMBL2368190"	""	""	""	""	"(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one"	""	""	"O[C@@H]1C[C@@H](/C=C/c2c(nc(nc2c2ccc(cc2)F)C(C)C)C(C)C)OC(=O)C1"	"UTOIEVWJKDLJGE-AQRBRUGDSA-N"	"InChI=1S/C23H27FN2O3/c1-13(2)21-19(10-9-18-11-17(27)12-20(28)29-18)22(26-23(25-21)14(3)4)15-5-7-16(24)8-6-15/h5-10,13-14,17-18,27H,11-12H2,1-4H3/b10-9+/t17-,18-/m1/s1"	""	""	""
"14502"	"compound 30k [PMID: 42046270]"	""	"Synthetic organic"	""	""	""	""	"528429823"	"178342677"	""	""	""	""	""	""	""	"5-(N-((3′-Chloro-[1,1′-biphenyl]-4-yl)methyl)-N-(4-((4-hydroxyphenyl)ethynyl)phenyl)sulfamoyl)benzofuran-2-carboxylic Acid"	""	""	"OC=1C=CC(=CC1)C#CC2=CC=C(N(CC3=CC=C(C4=CC(Cl)=CC=C4)C=C3)S(C5=CC=C6OC(C(O)=O)=CC6=C5)(=O)=O)C=C2"	"BPVYOYDZOCOMSL-UHFFFAOYSA-N"	"InChI=1S/C36H24ClNO6S/c37-30-3-1-2-28(20-30)27-12-6-26(7-13-27)23-38(31-14-8-24(9-15-31)4-5-25-10-16-32(39)17-11-25)45(42,43)33-18-19-34-29(21-33)22-35(44-34)36(40)41/h1-3,6-22,39H,23H2,(H,40,41)"	"yes"	""	""
"8812"	"compound 30 [PMID: 15953724]"	""	"Synthetic organic"	""	""	""	""	"252827470"	"11526708"	""	""	"CHEMBL180650"	""	""	""	""	"3-[1-[(4-chlorophenyl)methyl]-5-[3-fluoro-4-(2-methylphenyl)phenyl]-3-methylindol-2-yl]-2,2-dimethylpropanoic acid"	""	""	"Clc1ccc(cc1)Cn1c(CC(C(=O)O)(C)C)c(c2c1ccc(c2)c1ccc(c(c1)F)c1ccccc1C)C"	"IYCJVTFMIQICDJ-UHFFFAOYSA-N"	"InChI=1S/C34H31ClFNO2/c1-21-7-5-6-8-27(21)28-15-11-25(18-30(28)36)24-12-16-31-29(17-24)22(2)32(19-34(3,4)33(38)39)37(31)20-23-9-13-26(35)14-10-23/h5-18H,19-20H2,1-4H3,(H,38,39)"	""	""	""
"8813"	"compound 30 [PMID: 16455256]"	""	"Synthetic organic"	""	""	""	""	"252827471"	"5282545"	""	""	"CHEMBL205742"	""	""	""	""	"5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-methyl-1-(2-methylpropyl)-6-(quinolin-4-ylmethyl)thieno[3,2-e]pyrimidine-2,4-dione"	""	""	"CC(Cn1c2sc(c(c2c(=O)n(c1=O)C)C(=O)N1CC[C@H](C1)O)Cc1ccnc2c1cccc2)C"	"JOFQERPJMGKMMX-QGZVFWFLSA-N"	"InChI=1S/C26H28N4O4S/c1-15(2)13-30-25-22(23(32)28(3)26(30)34)21(24(33)29-11-9-17(31)14-29)20(35-25)12-16-8-10-27-19-7-5-4-6-18(16)19/h4-8,10,15,17,31H,9,11-14H2,1-3H3/t17-/m1/s1"	""	""	""
"8193"	"compound 30 [PMID: 17280833]"	""	"Synthetic organic"	""	""	""	""	"249565873"	"11540659"	""	""	"CHEMBL247667"	""	""	""	""	"5-phenyl-N-(2-phenylethyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[3,2-e]pyrimidin-4-amine"	""	""	"c1ccc(cc1)c1c(oc2c1c(NCCc1ccccc1)ncn2)c1ccc(cc1)OCCN1CCCC1"	"CYXPHNZJEDAZDD-UHFFFAOYSA-N"	"InChI=1S/C32H32N4O2/c1-3-9-24(10-4-1)17-18-33-31-29-28(25-11-5-2-6-12-25)30(38-32(29)35-23-34-31)26-13-15-27(16-14-26)37-22-21-36-19-7-8-20-36/h1-6,9-16,23H,7-8,17-22H2,(H,33,34,35)"	""	""	""
"6407"	"compound 30 [PMID: 21757343]"	""	"Synthetic organic"	""	""	""	""	"178103023"	"53380924"	""	""	"CHEMBL1808901"	""	""	""	""	"2-(3-chlorophenyl)-4-methyl-5-[(2R)-1-[(1,3-thiazol-2-yl)carbonyl]pyrrolidin-2-yl]pyridine"	""	""	"Clc1cccc(c1)c1ncc(c(c1)C)[C@H]1CCCN1C(=O)c1nccs1"	"GCSDBTCZHROCLZ-GOSISDBHSA-N"	"InChI=1S/C20H18ClN3OS/c1-13-10-17(14-4-2-5-15(21)11-14)23-12-16(13)18-6-3-8-24(18)20(25)19-22-7-9-26-19/h2,4-5,7,9-12,18H,3,6,8H2,1H3/t18-/m1/s1"	""	""	""
"8749"	"compound 30 [PMID: 22239545]"	""	"Synthetic organic"	""	""	""	""	"252827407"	"3012527"	""	""	"CHEMBL2019024"	""	""	""	""	"6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole"	""	""	"Cc1ccc2c(c1)[nH]c(n2)SCc1ccccn1"	"RRLQDVNNRUSNKR-UHFFFAOYSA-N"	"InChI=1S/C14H13N3S/c1-10-5-6-12-13(8-10)17-14(16-12)18-9-11-4-2-3-7-15-11/h2-8H,9H2,1H3,(H,16,17)"	""	""	""
"8885"	"compound 30 [PMID: 22468970]"	""	"Synthetic organic"	""	""	""	""	"310264666"	"57412419"	""	""	"CHEMBL2058262"	""	""	""	""	"(5Z)-5-[[4-hydroxy-3-(trifluoromethyl)phenyl]methylidene]-3-[4,4,4-trifluoro-2-methyl-2-(2,2,2-trifluoroethyl)butyl]-1,3-thiazolidine-2,4-dione"	""	""	"O=C1S/C(=C\c2ccc(c(c2)C(F)(F)F)O)/C(=O)N1CC(CC(F)(F)F)(CC(F)(F)F)C"	"KSFQOHIAWRETBP-XGICHPGQSA-N"	"InChI=1S/C18H14F9NO3S/c1-15(6-16(19,20)21,7-17(22,23)24)8-28-13(30)12(32-14(28)31)5-9-2-3-11(29)10(4-9)18(25,26)27/h2-5,29H,6-8H2,1H3/b12-5-"	""	""	""
"8118"	"compound 30 [PMID: 22902653]"	""	"Synthetic organic"	""	""	""	""	"249565798"	"58688690"	""	""	"CHEMBL2070613"	""	""	""	""	"1-[5-[6-(2,6-dimethyl-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]-3-methylurea"	""	""	"CNC(=O)Nc1ncc(s1)c1nc(nc(c1)c1c(C)cc(cc1C)OC(CC)CC)c1nccnc1"	"RYXLLTGGHCFCFK-UHFFFAOYSA-N"	"InChI=1S/C26H29N7O2S/c1-6-17(7-2)35-18-10-15(3)23(16(4)11-18)20-12-19(22-14-30-26(36-22)33-25(34)27-5)31-24(32-20)21-13-28-8-9-29-21/h8-14,17H,6-7H2,1-5H3,(H2,27,30,33,34)"	""	""	""
"7864"	"compound 30 [PMID: 23414845]"	""	"Synthetic organic"	""	""	""	""	"223366194"	"70698427"	""	""	"CHEMBL2333444"	""	""	""	""	"N-[(4-tert-butylphenyl)methyl]-1,5-dimethyl-4,4-dioxopyrazolo[4,3-c][2,1]benzothiazin-8-amine"	""	""	"Cn1ncc2c1c1cc(NCc3ccc(cc3)C(C)(C)C)ccc1N(S2(=O)=O)C"	"AVFJKWOKOZKXRX-UHFFFAOYSA-N"	"InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3"	""	""	""
"12609"	"compound 30 [PMID: 37057760]"	""	"Synthetic organic"	""	""	""	""	"479821399"	"167993665"	""	""	""	""	""	""	""	"7-(4-((4-((3-(N-(tert-Butyl)sulfamoyl)phenyl)amino)-5-methylpyrimidin-2-yl)amino)-2-fluorophenoxy)-N-hydroxyheptanamide"	""	""	"CC(C)(NS(C1=CC(NC2=NC(NC3=CC=C(OCCCCCCC(NO)=O)C(F)=C3)=NC=C2C)=CC=C1)(=O)=O)C"	"XQYXAGOVMRYFIS-UHFFFAOYSA-N"	"InChI=1S/C28H37FN6O5S/c1-19-18-30-27(33-26(19)31-20-10-9-11-22(16-20)41(38,39)35-28(2,3)4)32-21-13-14-24(23(29)17-21)40-15-8-6-5-7-12-25(36)34-37/h9-11,13-14,16-18,35,37H,5-8,12,15H2,1-4H3,(H,34,36)(H2,30,31,32,33)"	""	""	""
"14254"	"compound 30 [PMID: 41076627]"	""	"Synthetic organic"	""	""	""	""	"521588894"	"171627983"	""	""	""	""	""	""	""	"(2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyrazine-8-carbonyl)piperidin-3-yl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide"	""	""	"CC(C)[C@@H](NC(=O)C(F)(F)F)C(=O)N[C@@H]1CN(C(=O)C2=NC=CN3C=NC=C23)CC[C@H]1C4=CC(F)=CC(F)=C4"	"DSQOUYWQSZADHG-NLWGTHIKSA-N"	"InChI=1S/C25H25F5N6O3/c1-13(2)20(34-24(39)25(28,29)30)22(37)33-18-11-35(5-3-17(18)14-7-15(26)9-16(27)8-14)23(38)21-19-10-31-12-36(19)6-4-32-21/h4,6-10,12-13,17-18,20H,3,5,11H2,1-2H3,(H,33,37)(H,34,39)/t17-,18+,20+/m0/s1"	""	""	""
"3152"	"compound 31 [PMID: 17963374]"	""	"Synthetic organic"	""	""	""	""	"135650357"	"23730136"	""	""	"CHEMBL237589"	""	""	""	""	"hydrogen {2-[decyl(methyl)sulfaniumyl]-1-phosphonoethyl}phosphonate"	""	""	"CCCCCCCCCC[S+](CC(P(=O)(O)O)P(=O)(O)[O-])C"	"RKGOJPTZXHKAKX-UHFFFAOYSA-N"	"InChI=1S/C13H30O6P2S/c1-3-4-5-6-7-8-9-10-11-22(2)12-13(20(14,15)16)21(17,18)19/h13H,3-12H2,1-2H3,(H3-,14,15,16,17,18,19)"	""	""	""
"8180"	"compound 31 [PMID: 20936789]"	""	"Synthetic organic"	""	""	""	""	"249565860"	"49837564"	""	""	"CHEMBL1276848"	""	""	""	""	"(2R,3R,4R)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2,3-dimethylpiperidine-4-carboxylic acid"	""	""	"COc1cc(cc(c1OC)OC)c1cnc(c(n1)N1CC[C@H]([C@H]([C@H]1C)C)C(=O)O)N"	"YPKLAWUGDWZBMV-OUCADQQQSA-N"	"InChI=1S/C21H28N4O5/c1-11-12(2)25(7-6-14(11)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-3)18(30-5)17(9-13)29-4/h8-12,14H,6-7H2,1-5H3,(H2,22,23)(H,26,27)/t11-,12+,14+/m0/s1"	""	""	""
"8117"	"compound 31 [PMID: 22902653]"	""	"Synthetic organic"	""	""	""	""	"249565797"	"46192505"	""	""	"CHEMBL2070615"	""	""	""	""	""	""	""	"CCNC(=O)Nc1ncc(s1)c1cc(nc(n1)c1cnccn1)c1c(C)cc(cc1C)OC"	"WUCYRTXFXRZKSV-UHFFFAOYSA-N"	"InChI=1S/C23H23N7O2S/c1-5-25-22(31)30-23-27-12-19(33-23)16-10-17(20-13(2)8-15(32-4)9-14(20)3)29-21(28-16)18-11-24-6-7-26-18/h6-12H,5H2,1-4H3,(H2,25,27,30,31)"	""	""	""
"8174"	"compound 31 [PMID: 23374866]"	""	"Synthetic organic"	""	""	""	""	"249565854"	"58221375"	""	""	"CHEMBL2334589"	""	""	""	""	"4-[3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl]-2-methylbut-3-yn-2-ol"	""	""	"COCCOc1cnc(nc1c1c[nH]c2c1cc(C#CC(O)(C)C)cc2)N"	"ZZIZLABGKZWVAW-UHFFFAOYSA-N"	"InChI=1S/C20H22N4O3/c1-20(2,25)7-6-13-4-5-16-14(10-13)15(11-22-16)18-17(27-9-8-26-3)12-23-19(21)24-18/h4-5,10-12,22,25H,8-9H2,1-3H3,(H2,21,23,24)"	""	""	""
"8465"	"compound 31 [PMID: 24809814]"	""	"Synthetic organic"	""	""	""	""	"252166675"	"73729049"	""	""	"CHEMBL3290331"	""	""	""	""	"6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile"	""	""	"N#Cc1ccc(nc1)N1CCN(C[C@H]1C)c1nnc(c2c1cc(Cl)cc2)Cc1ccccc1"	"XUZUIICAPXZZDU-GOSISDBHSA-N"	"InChI=1S/C26H23ClN6/c1-18-17-32(11-12-33(18)25-10-7-20(15-28)16-29-25)26-23-14-21(27)8-9-22(23)24(30-31-26)13-19-5-3-2-4-6-19/h2-10,14,16,18H,11-13,17H2,1H3/t18-/m1/s1"	""	""	""
"8148"	"compound 31 [PMID: 24915291]"	""	"Synthetic organic"	""	""	""	""	"249565828"	"71519693"	""	""	"CHEMBL3290142"	""	""	""	""	"2-methyl-N-(2-{[3-(prop-2-enamido)phenyl]amino}pyrimidin-5-yl)-5-[3-(trifluoromethyl)benzamido]benzamide"	""	""	"C=CC(=O)Nc1cccc(c1)Nc1ncc(cn1)NC(=O)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F"	"BTWVWABAWDKQNJ-UHFFFAOYSA-N"	"InChI=1S/C29H23F3N6O3/c1-3-25(39)35-20-8-5-9-21(13-20)38-28-33-15-23(16-34-28)37-27(41)24-14-22(11-10-17(24)2)36-26(40)18-6-4-7-19(12-18)29(30,31)32/h3-16H,1H2,2H3,(H,35,39)(H,36,40)(H,37,41)(H,33,34,38)"	""	""	""
"10296"	"compound 31 [PMID: 29968758]"	""	"Synthetic organic"	""	""	""	""	"381744977"	"137553167"	""	""	""	""	""	""	""	"(2S)-2-({6-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}formamido)butanedioate"	""	"Trifluoromethoxy)phenyl)picolinoyl)-L-aspartic acid"	"[O-]C(=O)C[C@@H](C(=O)[O-])NC(=O)c1cccc(n1)c1ccc(cc1)OC(F)(F)F"	"TUTOXIPIHTUWDS-ZDUSSCGKSA-L"	"InChI=1S/C17H13F3N2O6/c18-17(19,20)28-10-6-4-9(5-7-10)11-2-1-3-12(21-11)15(25)22-13(16(26)27)8-14(23)24/h1-7,13H,8H2,(H,22,25)(H,23,24)(H,26,27)/p-2/t13-/m0/s1"	""	""	""
"10417"	"compound 31 [PMID: 31259550]"	""	"Synthetic organic"	""	""	""	""	"385612177"	"134324842"	""	""	""	""	""	""	""	"1-[(1R)-1-(2,4-Dichlorophenyl)ethyl]-6-[(4S,5R)-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile"	""	""	"OC[C@@H]1CCCN1[C@H]1CC=C(C[C@H]1C)c1cnc2c(n1)n(nc2C#N)[C@@H](c1ccc(cc1Cl)Cl)C"	"KQZLRWGGWXJPOS-NLFPWZOASA-N"	"InChI=1S/C26H28Cl2N6O/c1-15-10-17(5-8-24(15)33-9-3-4-19(33)14-35)23-13-30-25-22(12-29)32-34(26(25)31-23)16(2)20-7-6-18(27)11-21(20)28/h5-7,11,13,15-16,19,24,35H,3-4,8-10,14H2,1-2H3/t15-,16-,19+,24+/m1/s1"	"yes"	""	""
"3123"	"compound 32 [PMID: 19191557]"	""	"Synthetic organic"	""	""	""	""	"135649786"	"56947050"	""	""	"CHEMBL1208060"	""	""	""	""	"4-[3-(1-benzofuran-5-yloxy)phenyl]-1-phosphonatobutane-1-sulfonate"	""	""	"[O-]P(=O)(C(S(=O)(=O)[O-])CCCc1cccc(c1)Oc1ccc2c(c1)cco2)[O-]"	"ILJWMHLLBUNHIQ-UHFFFAOYSA-K"	"InChI=1S/C18H19O8PS/c19-27(20,21)18(28(22,23)24)6-2-4-13-3-1-5-15(11-13)26-16-7-8-17-14(12-16)9-10-25-17/h1,3,5,7-12,18H,2,4,6H2,(H2,19,20,21)(H,22,23,24)/p-3"	""	""	""
"6351"	"compound 32 [PMID: 19289283]"	""	"Synthetic organic"	""	""	""	""	"178102969"	"11337722"	""	""	"CHEMBL470396"	""	""	""	""	"N-cycloheptyl-6-(2-morpholin-4-ylethoxy)pyrido[4,5-e]pyrimidin-4-amine"	""	""	"C1CCCC(CC1)Nc1ncnc2c1cc(OCCN1CCOCC1)nc2"	"OGIVDFLCEHDQBN-UHFFFAOYSA-N"	"InChI=1S/C20H29N5O2/c1-2-4-6-16(5-3-1)24-20-17-13-19(21-14-18(17)22-15-23-20)27-12-9-25-7-10-26-11-8-25/h13-16H,1-12H2,(H,22,23,24)"	""	""	""
"8184"	"compound 32 [PMID: 20471253]"	""	"Synthetic organic"	""	""	""	""	"249565864"	"46871820"	""	""	"CHEMBL1082821"	""	""	""	""	"(3S,4R)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide"	""	""	"O=C([C@@H]1CNC[C@H]1c1ccc(cc1)Cl)Nc1cc2cc[nH]c(=O)c2cc1Cl"	"XBFAFSAUQFDEOK-JKSUJKDBSA-N"	"InChI=1S/C20H17Cl2N3O2/c21-13-3-1-11(2-4-13)15-9-23-10-16(15)20(27)25-18-7-12-5-6-24-19(26)14(12)8-17(18)22/h1-8,15-16,23H,9-10H2,(H,24,26)(H,25,27)/t15-,16+/m0/s1"	""	""	""
"13120"	"compound 32 [PMID: 30006177]"	""	"Synthetic organic"	""	""	""	""	"491299902"	"8607850"	""	""	"CHEMBL4208737"	""	""	""	""	"4-[(2-fluorophenyl)methoxy]benzamide"	""	""	"NC(=O)C1=CC=C(OCC2=C(F)C=CC=C2)C=C1"	"ARHAVVDXPGTLBI-UHFFFAOYSA-N"	"InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)"	""	""	""
"10528"	"compound 32 [PMID: 31638797]"	""	"Synthetic organic"	""	""	""	""	"387065610"	"122669265"	""	""	""	""	""	""	""	"[(3aR,9bR)-9b-(4-fluorophenyl)sulfonyl-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3a,4,5-tetrahydro-1H-benzo[e]indol-3-yl]-(4-hydroxy-1,1-dioxothian-4-yl)methanone"	""	"example 69 [WO2016179460A1]"	"Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)C(=O)C1(O)CCS(=O)(=O)CC1"	"ONXFNBOZJKXCNC-ZJSXRUAMSA-N"	"InChI=1S/C27H25F8NO6S2/c28-18-3-5-19(6-4-18)44(41,42)24-9-12-36(22(37)23(38)10-13-43(39,40)14-11-23)21(24)8-1-16-15-17(2-7-20(16)24)25(29,26(30,31)32)27(33,34)35/h2-7,15,21,38H,1,8-14H2/t21-,24-/m1/s1"	"yes"	""	""
"10576"	"compound 32 [PMID: 31675166]"	""	"Synthetic organic"	""	""	""	""	"404859023"	"145996518"	""	""	""	""	""	""	""	"(5R)‐3‐(4‐carbamimidoylphenyl)‐N‐((S)‐1‐(naphthalen‐1‐yl)propyl)‐2‐oxooxazolidine‐5‐carboxamide"	""	""	"CC[C@@H](c1cccc2c1cccc2)NC(=O)[C@@H]1OC(=O)N(C1)c1ccc(cc1)C(=N)N"	"CZGQFMWYGXCTGQ-LEWJYISDSA-N"	"InChI=1S/C24H24N4O3/c1-2-20(19-9-5-7-15-6-3-4-8-18(15)19)27-23(29)21-14-28(24(30)31-21)17-12-10-16(11-13-17)22(25)26/h3-13,20-21H,2,14H2,1H3,(H3,25,26)(H,27,29)/t20-,21+/m0/s1"	""	""	""
"13050"	"compound 32 [PMID: 38047891]"	""	"Synthetic organic"	""	""	""	""	"491299832"	"169494480"	""	""	""	""	""	""	""	"(2E)-3-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)-1-[4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]prop-2-en-1-one"	""	""	"FC1(OC2=C(O1)C=CC(=C2)/C=C/C(N3CCN(C(C4=CN=C(OC)N=C4)=O)CC3)=O)F"	"VLODLHKKDGGSJO-HWKANZROSA-N"	"InChI=1S/C20H18F2N4O5/c1-29-19-23-11-14(12-24-19)18(28)26-8-6-25(7-9-26)17(27)5-3-13-2-4-15-16(10-13)31-20(21,22)30-15/h2-5,10-12H,6-9H2,1H3/b5-3+"	"yes"	""	""
"12126"	"compound 33a [PMID: 35944901]"	""	"Synthetic organic"	""	""	""	""	"472319248"	"58945732"	""	""	""	""	""	""	""	"3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide"	""	""	"Cc1c(C#Cc2cnc3cccnn23)cc(C(=O)Nc2cc(C(F)(F)F)cc(n3cncc3)c2)cc1"	"VGOALPIDEXVYQI-UHFFFAOYSA-N"	"InChI=1S/C26H17F3N6O/c1-17-4-5-19(11-18(17)6-7-22-15-31-24-3-2-8-32-35(22)24)25(36)33-21-12-20(26(27,28)29)13-23(14-21)34-10-9-30-16-34/h2-5,8-16H,1H3,(H,33,36)"	""	""	""
"3010"	"compound 33 [PMID: 17574412]"	""	"Synthetic organic"	""	""	""	""	"135649755"	"56947030"	""	""	"CHEMBL400874"	""	""	""	""	"(3R,5R)-7-(5-{[(4-cyanophenyl)methyl]carbamoyl}-3-(4-fluorophenyl)-4-phenyl-1-(propan-2-yl)-1H-pyrrol-2-yl)-3,5-dihydroxyheptanoate"	""	""	"N#Cc1ccc(cc1)CNC(=O)c1c(c2ccccc2)c(c(n1C(C)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)c1ccc(cc1)F"	"LRCUHVRZXKUPFJ-FQLXRVMXSA-M"	"InChI=1S/C35H36FN3O5/c1-22(2)39-30(17-16-28(40)18-29(41)19-31(42)43)32(26-12-14-27(36)15-13-26)33(25-6-4-3-5-7-25)34(39)35(44)38-21-24-10-8-23(20-37)9-11-24/h3-15,22,28-29,40-41H,16-19,21H2,1-2H3,(H,38,44)(H,42,43)/p-1/t28-,29-/m1/s1"	""	""	""
"8163"	"compound 33 [PMID: 19364658]"	""	"Synthetic organic"	""	""	""	""	"249565843"	"25207521"	""	""	"CHEMBL511410"	""	""	""	""	"2-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]-2-(3-hydroxyphenyl)acetamide"	""	""	"Oc1cccc(c1)C(C(=O)N)NC1=C(C(=O)C1=O)Nc1ccncc1"	"GPXKVULNYYNGDP-UHFFFAOYSA-N"	"InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)"	""	""	""
"8874"	"compound 33 [PMID: 19908842]"	""	"Synthetic organic"	""	""	""	""	"252827531"	"44143089"	""	""	"CHEMBL578159"	""	""	""	""	"6-(3,5-difluoroanilino)-9-(2,2-difluoroethyl)purine-2-carbonitrile"	""	""	"N#Cc1nc(Nc2cc(F)cc(c2)F)c2c(n1)n(cn2)CC(F)F"	"VMJFQUMKCMNFSX-UHFFFAOYSA-N"	"InChI=1S/C14H8F4N6/c15-7-1-8(16)3-9(2-7)21-13-12-14(23-11(4-19)22-13)24(6-20-12)5-10(17)18/h1-3,6,10H,5H2,(H,21,22,23)"	""	""	""
"8732"	"compound 33 [PMID: 26230603]"	""	"Synthetic organic"	""	""	""	""	"252827390"	"91826678"	""	""	""	""	""	""	""	"8-[[(3R,4R)-3-[(1,1-dioxothian-4-yl)methoxy]piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one"	""	""	"O=c1[nH]c2c(nccc2cc1C)N[C@@H]1CCNC[C@H]1OCC1CCS(=O)(=O)CC1"	"IMRGYBMGTASFSC-IAGOWNOFSA-N"	"InChI=1S/C20H28N4O4S/c1-13-10-15-2-7-22-19(18(15)24-20(13)25)23-16-3-6-21-11-17(16)28-12-14-4-8-29(26,27)9-5-14/h2,7,10,14,16-17,21H,3-6,8-9,11-12H2,1H3,(H,22,23)(H,24,25)/t16-,17-/m1/s1"	""	""	""
"10680"	"compound 33 [PMID: 32003991]"	""	"Synthetic organic"	""	""	""	""	"404859127"	"145946134"	""	""	""	""	""	""	""	"(4S,5S,9S)-4-Benzyl-5-hydroxy-9-isopropyl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione"	""	""	"O=C1OCCCCCCCCCCCNC(=O)[C@@H](NC(=O)C[C@@H]([C@@H](N1)Cc1ccccc1)O)C(C)C"	"ISMDILRWKSYCOD-GNKBHMEESA-N"	"InChI=1S/C28H45N3O5/c1-21(2)26-27(34)29-17-13-8-6-4-3-5-7-9-14-18-36-28(35)30-23(24(32)20-25(33)31-26)19-22-15-11-10-12-16-22/h10-12,15-16,21,23-24,26,32H,3-9,13-14,17-20H2,1-2H3,(H,29,34)(H,30,35)(H,31,33)/t23-,24-,26-/m0/s1"	""	""	""
"13976"	"compound 33 [PMID: 40529071]"	""	"Synthetic organic"	""	""	""	""	"518520603"	"176516509"	""	""	""	""	""	""	""	"7-(5-methylfuran-2-yl)-N-{2-[4-(trifluoromethyl)phenyl]ethyl}-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine"	""	""	"CC1=CC=C(O1)C2=NC3=NN=CN3C(NCCC4=CC=C(C=C4)C(F)(F)F)=C2"	"YXRAZWFVNHVBGD-UHFFFAOYSA-N"	"InChI=1S/C19H16F3N5O/c1-12-2-7-16(28-12)15-10-17(27-11-24-26-18(27)25-15)23-9-8-13-3-5-14(6-4-13)19(20,21)22/h2-7,10-11,23H,8-9H2,1H3"	""	""	"yes"
"8791"	"compound 33 [Toda <i>et al.</i>, 2013]"	""	"Synthetic organic"	""	""	""	""	"252827449"	"60207864"	""	""	"CHEMBL2409007"	""	""	""	""	"5-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide"	""	""	"CCOCc1c(cnn1c1ncc(c(n1)N1CCCCC1)C)C(=O)NCc1cncn1C"	"ATOKVTDUHKZLMB-UHFFFAOYSA-N"	"InChI=1S/C22H30N8O2/c1-4-32-14-19-18(21(31)24-12-17-11-23-15-28(17)3)13-26-30(19)22-25-10-16(2)20(27-22)29-8-6-5-7-9-29/h10-11,13,15H,4-9,12,14H2,1-3H3,(H,24,31)"	""	""	""
"9647"	"compound 34c [PMID: 24641010]"	""	"Synthetic organic"	""	""	""	""	"340590277"	"72183475"	""	""	"CHEMBL3237438"	""	""	""	""	"2-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole"	""	""	"Cn1nc(c(c1C)Cc1nnc(o1)c1sc2c(c1OC1CCNCC1)cccc2)C"	"XZORQADPEUSNQJ-UHFFFAOYSA-N"	"InChI=1S/C22H25N5O2S/c1-13-17(14(2)27(3)26-13)12-19-24-25-22(29-19)21-20(28-15-8-10-23-11-9-15)16-6-4-5-7-18(16)30-21/h4-7,15,23H,8-12H2,1-3H3"	""	"yes"	""
"12911"	"compound 34f [PMID: 37535845]"	""	"Synthetic organic"	""	""	""	""	"485206032"	"169422741"	""	""	""	""	""	""	""	""	""	""	"O=S(C=1C=CC(=CC1)NC2=CC(N[C@H]3CC[C@H](N)CC3)=NN4C2=NC=C4C5=CC=CC=C5)(N6CCCC6)=O"	"IOMVZMIXBDMKIE-AFARHQOCSA-N"	"InChI=1S/C28H33N7O2S/c29-21-8-10-23(11-9-21)32-27-18-25(28-30-19-26(35(28)33-27)20-6-2-1-3-7-20)31-22-12-14-24(15-13-22)38(36,37)34-16-4-5-17-34/h1-3,6-7,12-15,18-19,21,23,31H,4-5,8-11,16-17,29H2,(H,32,33)/t21-,23-"	""	""	""
"9169"	"compound 34h [PMID: 27055065]"	""	"Synthetic organic"	""	""	""	""	"315661252"	"73386882"	""	""	""	""	""	""	""	"N8-[(2S)-3,3-dimethylbutan-2-yl]-N2-[2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine"	""	"example 77 [WO2014037750]"	"COc1cc(ccc1Nc1ncc2c(n1)c(ncc2)N[C@H](C(C)(C)C)C)c1cnn(c1)C"	"XTJZKALDRPVFSN-HNNXBMFYSA-N"	"InChI=1S/C24H29N7O/c1-15(24(2,3)4)28-22-21-17(9-10-25-22)12-26-23(30-21)29-19-8-7-16(11-20(19)32-6)18-13-27-31(5)14-18/h7-15H,1-6H3,(H,25,28)(H,26,29,30)/t15-/m0/s1"	""	""	""
"8743"	"compound 34 [PMID: 20189382]"	""	"Synthetic organic"	""	""	""	""	"252827401"	"46830215"	""	""	"CHEMBL1092820"	""	""	""	""	""	""	""	"NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCCCCC1"	"YKPDLYPZCGMXBO-UHFFFAOYSA-N"	"InChI=1S/C19H21N3O2S/c20-16-15-14(13-9-6-10-24-13)11-7-4-2-1-3-5-8-12(11)22-19(15)25-17(16)18(21)23/h6,9-10H,1-5,7-8,20H2,(H2,21,23)"	""	""	""
"6321"	"compound 34 [PMID: 20409708]"	""	"Synthetic organic"	""	""	""	""	"178102939"	"46830123"	""	""	"CHEMBL1094763"	""	""	""	""	"3-[(5S)-5-(4-tert-butylphenoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzonitrile"	""	""	"N#Cc1cccc(c1)N1C[C@H](OC1=O)COc1ccc(cc1)C(C)(C)C"	"YFJUDGZIRPWFBS-IBGZPJMESA-N"	"InChI=1S/C21H22N2O3/c1-21(2,3)16-7-9-18(10-8-16)25-14-19-13-23(20(24)26-19)17-6-4-5-15(11-17)12-22/h4-11,19H,13-14H2,1-3H3/t19-/m0/s1"	""	""	""
"8751"	"compound 34 [PMID: 20866075]"	""	"Synthetic organic"	""	""	""	""	"252827409"	"1999882"	""	""	"CHEMBL1269896"	""	""	""	""	"4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-methoxybenzoate"	""	""	"COc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)c1cccc2c1cccc2"	"PYNKKMZSVFDYAC-UHFFFAOYSA-N"	"InChI=1S/C24H18N2O4S/c1-28-19-13-11-18(12-14-19)23(27)29-15-4-5-16-31-24-26-25-22(30-24)21-10-6-8-17-7-2-3-9-20(17)21/h2-3,6-14H,15-16H2,1H3"	""	""	""
"8129"	"compound 34 [PMID: 24749861]"	""	"Synthetic organic"	""	""	""	""	"249565809"	"86290500"	""	""	"CHEMBL3265274"	""	""	""	""	"7-formyl-8-hydroxy-5-oxo-1H,2H,3H,4H,5H-chromeno[3,4-c]pyridine-3-carboximidamide"	""	""	"O=Cc1c(O)ccc2c1oc(=O)c1c2CCN(C1)C(=N)N"	"YPBDMIVAGFLWPR-UHFFFAOYSA-N"	"InChI=1S/C14H13N3O4/c15-14(16)17-4-3-7-8-1-2-11(19)10(6-18)12(8)21-13(20)9(7)5-17/h1-2,6,19H,3-5H2,(H3,15,16)"	""	""	""
"8396"	"compound 34 [PMID: 25974391]"	""	"Synthetic organic"	""	""	""	""	"252166607"	"50796983"	""	""	""	""	""	""	""	"3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzene-1-sulfonamide"	""	""	"COc1ccc(cc1)Oc1cc2c(cc1NS(=O)(=O)c1ccc(c(c1)OC)OC)n(c(=O)n2C)C"	"KNVIUMWNYXDULF-UHFFFAOYSA-N"	"InChI=1S/C24H25N3O7S/c1-26-19-13-18(25-35(29,30)17-10-11-21(32-4)23(12-17)33-5)22(14-20(19)27(2)24(26)28)34-16-8-6-15(31-3)7-9-16/h6-14,25H,1-5H3"	""	""	""
"12179"	"compound 35m [PMID: 36073117]"	""	"Synthetic organic"	""	""	""	""	"472319301"	"165368935"	""	""	""	""	""	""	""	""	""	""	"O=C(NNCC)c1ccc(cc1)CN1c2ccccc2C=Cc2c1cncc2"	"ZNRZSMMDQXGEGA-UHFFFAOYSA-N"	"InChI=1S/C23H22N4O/c1-2-25-26-23(28)20-9-7-17(8-10-20)16-27-21-6-4-3-5-18(21)11-12-19-13-14-24-15-22(19)27/h3-15,25H,2,16H2,1H3,(H,26,28)"	""	""	""
"3122"	"compound 35 [PMID: 19191557]"	""	"Synthetic organic"	""	""	""	""	"135649785"	"56947048"	""	""	"CHEMBL1208063"	""	""	""	""	"4-[2-fluoro-5-(4-fluorophenoxy)phenyl]-1-phosphonatobutane-1-sulfonate"	""	""	"Fc1ccc(cc1)Oc1ccc(c(c1)CCCC(S(=O)(=O)[O-])P(=O)([O-])[O-])F"	"GNVJUODFQNFGPT-UHFFFAOYSA-K"	"InChI=1S/C16H17F2O7PS/c17-12-4-6-13(7-5-12)25-14-8-9-15(18)11(10-14)2-1-3-16(26(19,20)21)27(22,23)24/h4-10,16H,1-3H2,(H2,19,20,21)(H,22,23,24)/p-3"	""	""	""
"8209"	"compound 35 [PMID: 20684608]"	""	"Synthetic organic"	""	""	""	""	"249565889"	"46864283"	""	""	"CHEMBL1215304"	""	""	""	""	"(3R)-6-methoxy-N-[2-[(1-methylpiperidin-4-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide"	""	""	"COc1ccc2c(c1)C[C@@H](NC2)C(=O)Nc1ccc(cc1OCC1CCN(CC1)C)c1c[nH]nc1"	"GFWDPXHTWJXOEI-RUZDIDTESA-N"	"InChI=1S/C27H33N5O3/c1-32-9-7-18(8-10-32)17-35-26-13-19(22-15-29-30-16-22)4-6-24(26)31-27(33)25-12-21-11-23(34-2)5-3-20(21)14-28-25/h3-6,11,13,15-16,18,25,28H,7-10,12,14,17H2,1-2H3,(H,29,30)(H,31,33)/t25-/m1/s1"	""	""	""
"8119"	"compound 35 [PMID: 22902653]"	""	"Synthetic organic"	""	""	""	""	"249565799"	"58688563"	""	""	"CHEMBL2070619"	""	""	""	""	"N-[5-[6-(2,6-dichloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide"	""	""	"COc1cc(Cl)c(c(c1)Cl)c1cc(nc(n1)c1cnccn1)c1cnc(s1)NC(=O)C"	"XACSASLXEAYEEO-UHFFFAOYSA-N"	"InChI=1S/C20H14Cl2N6O2S/c1-10(29)26-20-25-9-17(31-20)14-7-15(18-12(21)5-11(30-2)6-13(18)22)28-19(27-14)16-8-23-3-4-24-16/h3-9H,1-2H3,(H,25,26,29)"	""	""	""
"8842"	"compound 35 [PMID: 23916259]"	""	"Synthetic organic"	""	""	""	""	"252827499"	"72164440"	""	""	"CHEMBL2420572"	""	""	""	""	"4-[(4-hydroxycyclohexyl)amino]-N-(1-phenylcyclopropyl)imidazo[1,2-a]quinoxaline-8-carboxamide"	""	""	"OC1CCC(CC1)Nc1nc2ccc(cc2n2c1ncc2)C(=O)NC1(CC1)c1ccccc1"	"YOOLXKXFWTXRHM-UHFFFAOYSA-N"	"InChI=1S/C26H27N5O2/c32-20-9-7-19(8-10-20)28-23-24-27-14-15-31(24)22-16-17(6-11-21(22)29-23)25(33)30-26(12-13-26)18-4-2-1-3-5-18/h1-6,11,14-16,19-20,32H,7-10,12-13H2,(H,28,29)(H,30,33)"	""	""	""
"8554"	"compound 35 [PMID: 24157366]"	""	"Synthetic organic"	""	""	""	""	"252166755"	"54670056"	""	""	"CHEMBL3086040"	""	""	""	""	"(1R,2R,4R)-2-(4-bromophenyl)-N-[(4-chlorophenyl)-(2-fluoropyridin-4-yl)methyl]-4-morpholin-4-ylcyclohexane-1-carboxamide"	""	""	"Brc1ccc(cc1)[C@@H]1C[C@@H](CC[C@H]1C(=O)NC(c1ccnc(c1)F)c1ccc(cc1)Cl)N1CCOCC1"	"ABJSOROVZZKJGI-OCYUSGCXSA-N"	"InChI=1S/C29H30BrClFN3O2/c30-22-5-1-19(2-6-22)26-18-24(35-13-15-37-16-14-35)9-10-25(26)29(36)34-28(20-3-7-23(31)8-4-20)21-11-12-33-27(32)17-21/h1-8,11-12,17,24-26,28H,9-10,13-16,18H2,(H,34,36)/t24-,25-,26+,28?/m1/s1"	""	""	""
"14248"	"compound 35 [PMID: 41114343]"	""	"Synthetic organic"	""	""	""	""	"521588888"	"177746923"	""	""	""	""	""	""	""	"2-[(5-{2-butyl-1-[3-(trifluoromethyl)pyridin-2-yl]-1H-imidazol-4-yl}-1,3,4-oxadiazol-2-yl)difluoromethyl]-5-chloropyrimidine"	""	""	"ClC=1C=NC(=NC1)C(F)(F)C=2OC(=NN2)C3=CN(C4=C(C(F)(F)F)C=CC=N4)C(CCCC)=N3"	"BVLCVAPQBAVUQD-UHFFFAOYSA-N"	"InChI=1S/C20H15ClF5N7O/c1-2-3-6-14-30-13(10-33(14)15-12(20(24,25)26)5-4-7-27-15)16-31-32-18(34-16)19(22,23)17-28-8-11(21)9-29-17/h4-5,7-10H,2-3,6H2,1H3"	""	""	""
"2999"	"compound 35 [PMID: 8246233]"	""	"Synthetic organic"	""	""	""	""	"135649756"	"56947031"	""	""	"CHEMBL121309"	""	""	""	""	"(3R,5S,6E)-7-[1-(4-fluorophenyl)-2-phenyl-4-(propan-2-yl)-1H-imidazol-5-yl]-3,5-dihydroxyhept-6-enoate"	""	""	"O[C@H](C[C@@H](/C=C/c1c(nc(n1c1ccc(cc1)F)c1ccccc1)C(C)C)O)CC(=O)[O-]"	"ZYZCALPXKGUGJI-DDVDASKDSA-M"	"InChI=1S/C25H27FN2O4/c1-16(2)24-22(13-12-20(29)14-21(30)15-23(31)32)28(19-10-8-18(26)9-11-19)25(27-24)17-6-4-3-5-7-17/h3-13,16,20-21,29-30H,14-15H2,1-2H3,(H,31,32)/p-1/b13-12+/t20-,21-/m1/s1"	""	""	""
"14090"	"compound 35 [US12091406]"	""	"Synthetic organic"	""	""	""	""	"518520717"	"169860253"	""	""	""	""	""	""	""	"2,6-dimethoxy-N-[5-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl]benzenesulfonamide"	""	""	"COC1=C(C(=CC=C1)OC)S(=O)(=O)NC2=NOC=3C2=C4OCCCC4=C(C3)OC=5SC=CN5"	"UGPWXMULRDNIRG-UHFFFAOYSA-N"	"InChI=1S/C21H19N3O7S2/c1-27-13-6-3-7-14(28-2)19(13)33(25,26)24-20-17-16(31-23-20)11-15(30-21-22-8-10-32-21)12-5-4-9-29-18(12)17/h3,6-8,10-11H,4-5,9H2,1-2H3,(H,23,24)"	""	""	""
"5755"	"compound 36j [PMID: 21536438]"	""	"Synthetic organic"	""	""	""	""	"178102380"	"54587590"	""	""	""	""	""	""	""	"3-chloro-4-[(6-{[(1S,5S)-8-(cyclopropanesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}-5-methylpyrimidin-4-yl)amino]benzonitrile"	""	""	"N#Cc1ccc(c(c1)Cl)Nc1ncnc(c1C)OC1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1"	"JONDVPWMQDOELC-HOTGVXAUSA-N"	"InChI=1S/C22H24ClN5O3S/c1-13-21(27-20-7-2-14(11-24)8-19(20)23)25-12-26-22(13)31-17-9-15-3-4-16(10-17)28(15)32(29,30)18-5-6-18/h2,7-8,12,15-18H,3-6,9-10H2,1H3,(H,25,26,27)/t15-,16-/m0/s1"	""	""	""
"6445"	"compound 36 [PMID: 17936624]"	""	"Synthetic organic"	""	""	""	""	"178103061"	"44434752"	""	""	"CHEMBL238344"	""	""	""	""	"7-(3,5-dimethoxyphenyl)-2-methyl-1,6-naphthyridine"	""	""	"COc1cc(OC)cc(c1)c1ncc2c(c1)nc(cc2)C"	"AWGMVVADCJSVIO-UHFFFAOYSA-N"	"InChI=1S/C17H16N2O2/c1-11-4-5-12-10-18-16(9-17(12)19-11)13-6-14(20-2)8-15(7-13)21-3/h4-10H,1-3H3"	""	""	""
"5747"	"compound 36 [PMID: 21273063]"	""	"Synthetic organic"	""	""	""	""	"178102373"	"73755153"	""	""	""	""	""	""	""	"2-ethynyl-4-methyl-6-{4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]piperidin-1-yl}pyrimidine"	""	""	"C#Cc1nc(C)cc(n1)N1CCC(CC1)C1CCN(CC1)c1ncc(nc1)C"	"GIKAEVLPYSTAGY-UHFFFAOYSA-N"	"InChI=1S/C22H28N6/c1-4-20-25-16(2)13-21(26-20)27-9-5-18(6-10-27)19-7-11-28(12-8-19)22-15-23-17(3)14-24-22/h1,13-15,18-19H,5-12H2,2-3H3"	""	""	""
"9391"	"compound 36 [PMID: 21958547]"	""	"Synthetic organic"	""	""	""	""	"328083493"	"124037381"	""	""	""	""	""	""	""	""	""	""	"CN(C/C=C/C(=O)N(C1CC2C(CC1F)N=C(c1n2cnc1)Nc1ccccc1C)C)C"	"KJDBCEWMSRFWQY-JXMROGBWSA-N"	"InChI=1S/C24H31FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,14-15,17,19-21H,11-13H2,1-4H3,(H,27,28)/b10-7+"	"yes"	""	""
"7521"	"compound 36 [PMID: 24000170]"	""	"Synthetic organic"	""	""	""	""	"187051822"	"75124304"	""	""	""	""	""	""	""	"3-(dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7H,8H,9H-pyrrolo[2,3-c]1,5-naphthyridin-8-one"	""	""	"COc1nc2c(cc1c1c(C)noc1C)ncc1c2C(C(=O)N1)c1ccccc1OC(F)(F)F"	"WWSIFGSLYORAET-UHFFFAOYSA-N"	"InChI=1S/C23H17F3N4O4/c1-10-17(11(2)34-30-10)13-8-14-20(29-22(13)32-3)19-15(9-27-14)28-21(31)18(19)12-6-4-5-7-16(12)33-23(24,25)26/h4-9,18H,1-3H3,(H,28,31)"	""	""	""
"11083"	"compound 36 [PMID: 32429662]"	""	"Synthetic organic"	""	""	""	""	"434122144"	"154699440"	""	""	""	""	""	""	""	"1-(2-Naphthoyl)-N-(3-chlorophenyl)piperidine-4-carboxamide"	""	""	"Clc1cccc(c1)NC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)cccc2"	"PBXCPFNNNZUANE-UHFFFAOYSA-N"	"InChI=1S/C23H21ClN2O2/c24-20-6-3-7-21(15-20)25-22(27)17-10-12-26(13-11-17)23(28)19-9-8-16-4-1-2-5-18(16)14-19/h1-9,14-15,17H,10-13H2,(H,25,27)"	""	""	""
"12713"	"compound 36 [PMID: 34843241]"	""	"Synthetic organic"	""	""	""	""	"483123261"	"57330559"	""	""	"CHEMBL4868242"	""	""	""	""	"2,6-difluoro-N-[4-[2-methyl-3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)phenyl]phenyl]benzamide"	""	"example 48 [WO2012056478]"	"O=C1OC(=NN1C)C=2C=CC=C(C3=CC=C(NC(C4=C(F)C=CC=C4F)=O)C=C3)C2C"	"ZKAHFFVNALZECX-UHFFFAOYSA-N"	"InChI=1S/C23H17F2N3O3/c1-13-16(5-3-6-17(13)22-27-28(2)23(30)31-22)14-9-11-15(12-10-14)26-21(29)20-18(24)7-4-8-19(20)25/h3-12H,1-2H3,(H,26,29)"	""	""	""
"2239"	"compound 37 [PMID: 16250654]"	""	"Synthetic organic"	""	""	""	""	"135650179"	"6918854"	""	""	"CHEMBL196478"	""	""	""	""	"(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide"	""	""	"CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C"	"QGSYCKKZFPLTMQ-UBFVSLLYSA-N"	"InChI=1S/C28H33F2N3O3/c1-15(2)11-23-26(34)32-24(19-12-17-7-5-6-8-18(17)13-19)28(36)33(23)25(27(35)31-16(3)4)21-10-9-20(29)14-22(21)30/h5-10,14-16,19,23-25H,11-13H2,1-4H3,(H,31,35)(H,32,34)/t23-,24-,25-/m1/s1"	""	""	""
"8612"	"compound 37 [PMID: 24418773]"	""	"Synthetic organic"	""	""	""	""	"252166813"	"76328755"	""	""	"CHEMBL3115901"	""	""	""	""	"2-[[(2R)-1-[[(2S)-3-(4-aminophenyl)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid"	""	""	"OC(=O)CN[C@@H](C(=O)N[C@H](C(=O)NCc1ccc(cc1)C(=N)N)Cc1ccc(cc1)N)CC1CCCCC1"	"CHAFCBBAYJKFNL-RPWUZVMVSA-N"	"InChI=1S/C28H38N6O4/c29-22-12-8-19(9-13-22)15-24(27(37)33-16-20-6-10-21(11-7-20)26(30)31)34-28(38)23(32-17-25(35)36)14-18-4-2-1-3-5-18/h6-13,18,23-24,32H,1-5,14-17,29H2,(H3,30,31)(H,33,37)(H,34,38)(H,35,36)/t23-,24+/m1/s1"	""	""	""
"9797"	"compound 37 [PMID: 29193967]"	""	"Synthetic organic"	""	""	""	""	"354702269"	"132427687"	""	""	""	""	""	""	""	""	""	""	"N#Cc1cc(ccc1Oc1ccc(c(c1)C(F)(F)F)Cl)NS(=O)(=O)c1ccc(cc1)N"	"GADGQEKPNKSGMT-UHFFFAOYSA-N"	"InChI=1S/C20H13ClF3N3O3S/c21-18-7-4-15(10-17(18)20(22,23)24)30-19-8-3-14(9-12(19)11-25)27-31(28,29)16-5-1-13(26)2-6-16/h1-10,27H,26H2"	"yes"	""	""
"12256"	"compound 37 [PMID: 36384290]"	""	"Synthetic organic"	""	""	""	""	"473153844"	"165437863"	""	""	""	""	""	""	""	"1-((R)-11-(((R)-1-(3-(Difluoromethyl)-2-fluorophenyl)ethyl)amino)-9-methyl-1,2,3,4,4a,5-hexahydropyrazino[1′,2′:4,5][1,4]oxazino[3,2-g]quinazoline-3-carbonyl)cyclopropane-1-carbonitrile"	""	""	"Cc1nc2cc3OC[C@@H]4N(CCN(C(=O)C5(C#N)CC5)C4)c3cc2c(N[C@H](C)c2cccc(C(F)F)c2F)n1"	"KKFFOOWORPUAJB-NVXWUHKLSA-N"	"InChI=1S/C28H27F3N6O2/c1-15(18-4-3-5-19(24(18)29)25(30)31)33-26-20-10-22-23(11-21(20)34-16(2)35-26)39-13-17-12-36(8-9-37(17)22)27(38)28(14-32)6-7-28/h3-5,10-11,15,17,25H,6-9,12-13H2,1-2H3,(H,33,34,35)/t15-,17-/m1/s1"	""	""	""
"14666"	"compound 38a"	""	"Synthetic organic"	""	""	""	""	"530846914"	"179075714"	""	""	""	""	""	""	""	"6-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-4-methyl-1-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-1H-pyrrolo[3,2-c]pyridine"	""	""	"CN1C(C=2C=CC(=CC2)CN3C4=CC(C5=C(C6CC6)N=CN=C5OC)=NC(C)=C4C=C3)=NC(C(F)(F)F)=C1"	"UMZOURYOIUCQEA-UHFFFAOYSA-N"	"InChI=1S/C28H25F3N6O/c1-16-20-10-11-37(13-17-4-6-19(7-5-17)26-35-23(14-36(26)2)28(29,30)31)22(20)12-21(34-16)24-25(18-8-9-18)32-15-33-27(24)38-3/h4-7,10-12,14-15,18H,8-9,13H2,1-3H3"	""	""	""
"8755"	"compound 38a [PMID: 15634016]"	""	"Synthetic organic"	""	""	""	""	"252827413"	"11206290"	""	""	"CHEMBL359657"	""	""	""	""	"(5-pyridin-3-ylthiophen-2-yl)methanamine"	""	""	"NCc1ccc(s1)c1cccnc1"	"JHLIGYPHPBLDDL-UHFFFAOYSA-N"	"InChI=1S/C10H10N2S/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2"	""	""	""
"11660"	"compound 38k [PMID: 34351741]"	""	"Synthetic organic"	""	""	""	""	"442878686"	"156587562"	""	""	""	""	""	""	""	"N-(4-Chloro-3-(trifluoromethyl)phenyl)-4-(6-(4-(4-methylpiperazin-1-yl)phenyl)thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide"	""	""	"CN1CCN(c2ccc(cc2)c2cc3c(N4CCN(C(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)CC4)ncnc3s2)CC1"	"ZYZUOYYVHYGMDE-UHFFFAOYSA-N"	"InChI=1S/C29H29ClF3N7OS/c1-37-8-10-38(11-9-37)21-5-2-19(3-6-21)25-17-22-26(34-18-35-27(22)42-25)39-12-14-40(15-13-39)28(41)36-20-4-7-24(30)23(16-20)29(31,32)33/h2-7,16-18H,8-15H2,1H3,(H,36,41)"	""	""	""
"8768"	"compound 38 [PMID: 20817473]"	""	"Synthetic organic"	""	""	""	""	"252827426"	"11847343"	""	""	"CHEMBL1258913"	""	""	""	""	"3-[(4-morpholin-4-ylbenzoyl)amino]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-1H-thieno[5,4-d]pyrazole-5-carboxamide"	""	""	"O=C(c1ccc(cc1)N1CCOCC1)Nc1n[nH]c2c1sc(c2)C(=O)N[C@@H](c1ccccc1)CN1CCCC1"	"ORWIYCURPDKSBI-XMMPIXPASA-N"	"InChI=1S/C29H32N6O3S/c36-28(21-8-10-22(11-9-21)35-14-16-38-17-15-35)31-27-26-23(32-33-27)18-25(39-26)29(37)30-24(19-34-12-4-5-13-34)20-6-2-1-3-7-20/h1-3,6-11,18,24H,4-5,12-17,19H2,(H,30,37)(H2,31,32,33,36)/t24-/m1/s1"	""	""	""
"7757"	"compound 38 [PMID: 22123324]"	""	"Synthetic organic"	""	""	""	""	"223366090"	"86277835"	""	""	""	""	""	""	""	"3-[[(1R)-1-(propylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]carbazole-9-carboxamide"	""	""	"CCCN[C@@H]1CC2(c3c1cccc3)CCN(CC2)Cc1ccc2c(c1)c1ccccc1n2C(=O)N"	"LMNFAMWQPPUUNJ-AREMUKBSSA-N"	"InChI=1S/C30H34N4O/c1-2-15-32-26-19-30(25-9-5-3-8-23(25)26)13-16-33(17-14-30)20-21-11-12-28-24(18-21)22-7-4-6-10-27(22)34(28)29(31)35/h3-12,18,26,32H,2,13-17,19-20H2,1H3,(H2,31,35)/t26-/m1/s1"	""	""	""
"7522"	"compound 38 [PMID: 24000170]"	""	"Synthetic organic"	""	""	""	""	"187051823"	"75124305"	""	""	""	""	""	""	""	"9-benzyl-3-(dimethyl-1,2-oxazol-4-yl)-2-methoxy-7H,8H,9H-pyrrolo[2,3-c]1,5-naphthyridin-8-one"	""	""	"COc1nc2c(cc1c1c(C)noc1C)ncc1c2C(Cc2ccccc2)C(=O)N1"	"ZULXIHDLPPWDPC-UHFFFAOYSA-N"	"InChI=1S/C23H20N4O3/c1-12-19(13(2)30-27-12)16-10-17-21(26-23(16)29-3)20-15(9-14-7-5-4-6-8-14)22(28)25-18(20)11-24-17/h4-8,10-11,15H,9H2,1-3H3,(H,25,28)"	""	""	""
"8145"	"compound 38 [PMID: 24915291]"	""	"Synthetic organic"	""	""	""	""	"249565825"	"71556703"	""	""	"CHEMBL3290148"	""	""	""	""	"2-methyl-N-[2-({3-[2-(prop-2-enamido)acetamido]phenyl}amino)pyrimidin-5-yl]-5-[3-(trifluoromethyl)benzamido]benzamide"	""	""	"C=CC(=O)NCC(=O)Nc1cccc(c1)Nc1ncc(cn1)NC(=O)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F"	"SMOPKEHQPPXRSH-UHFFFAOYSA-N"	"InChI=1S/C31H26F3N7O4/c1-3-26(42)35-17-27(43)38-21-8-5-9-22(13-21)41-30-36-15-24(16-37-30)40-29(45)25-14-23(11-10-18(25)2)39-28(44)19-6-4-7-20(12-19)31(32,33)34/h3-16H,1,17H2,2H3,(H,35,42)(H,38,43)(H,39,44)(H,40,45)(H,36,37,41)"	""	""	""
"8754"	"compound 39a [PMID: 15634016]"	""	"Synthetic organic"	""	""	""	""	"252827412"	"11332763"	""	""	"CHEMBL178090"	""	""	""	""	"(5-pyridin-3-ylfuran-2-yl)methanamine"	""	""	"NCc1ccc(o1)c1cccnc1"	"LENAVORGWBTPJR-UHFFFAOYSA-N"	"InChI=1S/C10H10N2O/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2"	""	""	""
"8875"	"compound 39 [PMID: 23623673]"	""	"Synthetic organic"	""	""	""	""	"252827532"	"56589615"	""	""	"CHEMBL2387503"	""	""	""	""	"2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one"	""	""	"Fc1cccc(c1c1nc2c([nH]1)c(=O)[nH]c1c2ccc(c1)c1ccccc1)Cl"	"VTGCIWWYBFGGNJ-UHFFFAOYSA-N"	"InChI=1S/C22H13ClFN3O/c23-15-7-4-8-16(24)18(15)21-26-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)25-22(28)20(19)27-21/h1-11H,(H,25,28)(H,26,27)"	""	""	""
"10585"	"compound 39 [PMID: 31742400]"	""	"Synthetic organic"	""	""	""	""	"404859032"	"145996522"	""	""	""	""	""	""	""	"2-Amino-6-(2,3-dichlorobenzyl)-5-isopropyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one"	""	""	"Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C"	"KLBHHUODQVCBKX-UHFFFAOYSA-N"	"InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(H3,18,19,20,21)"	"yes"	""	""
"11852"	"compound 39 [PMID: 34982553]"	""	"Synthetic organic"	""	""	""	""	"461663408"	"162679539"	""	""	""	""	""	""	""	""	""	"H2N-c[X-R-L-S-X]-K-G-P-(D-1Nal)"	"N[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C/C=C\C1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)Cc1c2ccccc2ccc1"	"VXVNSDXGZQXERO-NXDMJTDOSA-N"	"InChI=1S/C49H73N13O11/c1-28(2)24-36-45(69)61-38(27-63)46(70)58-34(17-6-5-16-32(51)41(65)56-35(44(68)59-36)19-10-22-54-49(52)53)43(67)57-33(18-7-8-21-50)42(66)55-26-40(64)62-23-11-20-39(62)47(71)60-37(48(72)73)25-30-14-9-13-29-12-3-4-15-31(29)30/h3-6,9,12-15,28,32-39,63H,7-8,10-11,16-27,50-51H2,1-2H3,(H,55,66)(H,56,65)(H,57,67)(H,58,70)(H,59,68)(H,60,71)(H,61,69)(H,72,73)(H4,52,53,54)/b6-5-/t32-,33-,34-,35-,36-,37+,38-,39-/m0/s1"	""	""	""
"12236"	"compound 39 [PMID: 36127295]"	""	"Synthetic organic"	""	""	""	""	"473153824"	"147002269"	""	""	""	""	""	""	""	"(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]-N,1-dimethylcyclopentane-1-carboxamide"	""	""	"Brc1nn(c2ccc(c3nnc(C)s3)cc2)c2c1cnc(N[C@@H]1CC[C@](C(=O)NC)(C)C1)n2"	"ASGMFNBUXDJWJJ-JLCFBVMHSA-N"	"InChI=1S/C22H23BrN8OS/c1-12-28-29-19(33-12)13-4-6-15(7-5-13)31-18-16(17(23)30-31)11-25-21(27-18)26-14-8-9-22(2,10-14)20(32)24-3/h4-7,11,14H,8-10H2,1-3H3,(H,24,32)(H,25,26,27)/t14-,22-/m1/s1"	""	""	""
"12537"	"compound 39 [PMID: 36402081]"	""	"Synthetic organic"	""	""	""	""	"479821327"	"167993652"	""	""	""	""	""	""	""	"(1R, 3R)-1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonitrile"	""	""	"ClC=1C=C(C=C(C1)F)[C@H]2N[C@H](CC3=CC(=CC=C23)C#N)CO"	"UOCQJHUNCIRIPU-NVXWUHKLSA-N"	"InChI=1S/C17H14ClFN2O/c18-13-4-12(5-14(19)7-13)17-16-2-1-10(8-20)3-11(16)6-15(9-22)21-17/h1-5,7,15,17,21-22H,6,9H2/t15-,17-/m1/s1"	""	""	""
"13986"	"compound 39 [PMID: 40643363]"	""	"Synthetic organic"	""	""	""	""	"518520613"	"176516511"	""	""	""	""	""	""	""	"5-({1-cyclopropyl-4-methyl-3-oxo-1H,2H,3H,4H-pyrido[3,4-b]pyrazin-7-yl}amino)-3-fluoro-2-hydroxybenzonitrile"	""	""	"[H]C1N(C2CC2)C3=C(C=NC(NC4=CC(C#N)=C(O)C(F)=C4)=C3)N(C)C1=O"	"FJFWPVVCUMFWMR-UHFFFAOYSA-N"	"InChI=1S/C18H16FN5O2/c1-23-15-8-21-16(6-14(15)24(9-17(23)25)12-2-3-12)22-11-4-10(7-20)18(26)13(19)5-11/h4-6,8,12,26H,2-3,9H2,1H3,(H,21,22)"	""	""	""
"14424"	"compound 39 [PMID: 41770619]"	""	"Synthetic organic"	""	""	""	""	"523352216"	"170439007"	""	""	""	""	""	""	""	"(Z)-1-[(3S)-4-[7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one"	""	""	"F[C@@H]1C[C@]2(N(C1)CCC2)COC3=NC4=C(C=NC(C5=C6C(C#C[H])=C(F)C=CC6=CC=C5)=C4F)C(N7[C@@H](C)CN(C(/C(/F)=C/C8=NC=CS8)=O)CC7)=N3"	"SLPTUTIFIMSUSD-GGLHIIIUSA-N"	"InChI=1S/C38H33F4N7O2S/c1-3-25-28(40)9-8-23-6-4-7-26(31(23)25)33-32(42)34-27(18-44-33)35(46-37(45-34)51-21-38-10-5-12-48(38)20-24(39)17-38)49-14-13-47(19-22(49)2)36(50)29(41)16-30-43-11-15-52-30/h1,4,6-9,11,15-16,18,22,24H,5,10,12-14,17,19-21H2,2H3/b29-16-/t22-,24+,38-/m0/s1"	""	""	""
"14588"	"compound 39 [PMID: 42434955]"	""	"Synthetic organic"	""	""	""	""	"530846836"	"171842894"	""	""	""	""	""	""	""	"N-[3-chloro-4-[[(3S)-3-[(2S)-1,2-dihydroxypropan-2-yl]piperidin-1-yl]methyl]phenyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide"	""	"example 41 [WO2024149728]"	"O=C(C1=CN(C2=CC=C(F)C=C2)N=C1C)NC3=CC(Cl)=C(CN4CCC[C@]([H])([C@@](O)(C)CO)C4)C=C3"	"BFDKLXQLTRPQHW-AFMDSPMNSA-N"	"InChI=1S/C26H30ClFN4O3/c1-17-23(15-32(30-17)22-9-6-20(28)7-10-22)25(34)29-21-8-5-18(24(27)12-21)13-31-11-3-4-19(14-31)26(2,35)16-33/h5-10,12,15,19,33,35H,3-4,11,13-14,16H2,1-2H3,(H,29,34)/t19-,26+/m0/s1"	""	""	""
"10345"	"compound 3a [Badolato <i>et al</i>., 2019]"	""	"Synthetic organic"	""	""	""	""	"381745026"	"378629"	""	""	"CHEMBL1987065"	""	""	""	""	"6-chloro-5,8-dihydroxy-7-morpholin-4-ylnaphthalene-1,4-dione"	""	""	"ClC1=C(N2CCOCC2)C(=O)c2c(C1=O)c(O)ccc2O"	"FTMCZTSKCXEXCO-UHFFFAOYSA-N"	"InChI=1S/C14H12ClNO5/c15-11-12(16-3-5-21-6-4-16)14(20)10-8(18)2-1-7(17)9(10)13(11)19/h1-2,17-18H,3-6H2"	""	""	""
"9965"	"compound 3a [Pipionne <i>et al</i>, 2018]"	""	"Synthetic organic"	""	""	""	""	"374883852"	"134611886"	""	""	""	""	""	""	""	"1-[5-amino-4-(3,4-dichlorophenyl)-3-methyl-1H-pyrazol-1-yl]ethan-1-one"	""	""	"Cc1nn(c(c1c1ccc(c(c1)Cl)Cl)N)C(=O)C"	"HJXDCOSNNVYHCY-UHFFFAOYSA-N"	"InChI=1S/C12H11Cl2N3O/c1-6-11(12(15)17(16-6)7(2)18)8-3-4-9(13)10(14)5-8/h3-5H,15H2,1-2H3"	"yes"	""	""
"3085"	"compound 3a [PMID: 12238936]"	""	"Synthetic organic"	""	""	""	""	"135649679"	"11082054"	""	""	"CHEMBL422638"	""	""	""	""	"2-{2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetamido}acetic acid"	""	""	"COc1cccc(c1OC)[C@H]1O[C@H](CC(=O)NCC(=O)O)C(=O)N(c2c1cc(Cl)cc2)CC(CO)(C)C"	"CONNCFGSWRVAOP-NFBKMPQASA-N"	"InChI=1S/C26H31ClN2O8/c1-26(2,14-30)13-29-18-9-8-15(27)10-17(18)23(16-6-5-7-19(35-3)24(16)36-4)37-20(25(29)34)11-21(31)28-12-22(32)33/h5-10,20,23,30H,11-14H2,1-4H3,(H,28,31)(H,32,33)/t20-,23-/m1/s1"	""	""	""
"6205"	"compound 3a [PMID: 16099654]"	""	"Synthetic organic"	""	""	""	""	"178102826"	"44573698"	""	""	"CHEMBL492378"	""	""	""	""	"N-(5-methyl-1,2,4-oxadiazol-3-yl)-9H-xanthene-9-carboxamide"	""	""	"O=C(C1c2ccccc2Oc2c1cccc2)Nc1noc(n1)C"	"KXBNLKGEYKHKAO-UHFFFAOYSA-N"	"InChI=1S/C17H13N3O3/c1-10-18-17(20-23-10)19-16(21)15-11-6-2-4-8-13(11)22-14-9-5-3-7-12(14)15/h2-9,15H,1H3,(H,19,20,21)"	""	""	""
"9872"	"compound 3a [PMID: 18606542]"	""	"Synthetic organic"	""	""	""	""	"363894166"	"11501506"	""	""	"CHEMBL476099"	""	""	""	""	""	""	""	"O=C(c1ccc2c(c1)ccc(c2)OCCCN1CCCCC1)N1CCCC1"	"KBLLVDUPDMDMON-UHFFFAOYSA-N"	"InChI=1S/C23H30N2O2/c26-23(25-14-4-5-15-25)21-8-7-20-18-22(10-9-19(20)17-21)27-16-6-13-24-11-2-1-3-12-24/h7-10,17-18H,1-6,11-16H2"	""	""	""
"5737"	"compound 3a [PMID: 21444206]"	""	"Synthetic organic"	""	""	""	""	"178102363"	"11282871"	""	""	"CHEMBL1775169"	""	""	""	""	"tert-butyl 4-[1-(4-methylsulfonylphenyl)pyrazolo[4,5-e]pyrimidin-4-yl]oxypiperidine-1-carboxylate"	""	""	"O=C(N1CCC(CC1)Oc1ncnc2c1cnn2c1ccc(cc1)S(=O)(=O)C)OC(C)(C)C"	"LZCNLEZPKDPKSO-UHFFFAOYSA-N"	"InChI=1S/C22H27N5O5S/c1-22(2,3)32-21(28)26-11-9-16(10-12-26)31-20-18-13-25-27(19(18)23-14-24-20)15-5-7-17(8-6-15)33(4,29)30/h5-8,13-14,16H,9-12H2,1-4H3"	""	""	""
"5911"	"compound 3a [PMID: 22873688]"	""	"Synthetic organic"	""	""	""	""	"178102534"	"73755170"	""	""	""	""	""	""	""	"{[(R)-{[(2R,3R,4S)-5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(boranuidyl)phosphoryl]oxy}phosphonic acid"	""	""	"CSc1nc(N)c2c(n1)n(cn2)C1O[C@@H]([C@@H]([C@@H]1O)O)CO[P@@](=O)(OP(=O)(O)O)[BH3-]"	"NYMPKIXFMTVLTJ-CHJYMILRSA-N"	"InChI=1S/C11H19BN5O9P2S/c1-29-11-15-8(13)5-9(16-11)17(3-14-5)10-7(19)6(18)4(25-10)2-24-27(12,20)26-28(21,22)23/h3-4,6-7,10,18-19H,2H2,1,12H3,(H2,13,15,16)(H2,21,22,23)/q-1/t4-,6+,7+,10?,27-/m1/s1"	""	""	""
"8127"	"compound 3b [PMID: 23454515]"	""	"Synthetic organic"	""	""	""	""	"249565807"	"136234578"	""	""	"CHEMBL3092863"	""	""	""	""	"(5Z)-2-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]anilino]-5-(1,3-benzodioxol-5-ylmethylidene)-1H-imidazol-4-one"	""	""	"NCCOCCOCCOCCOc1ccc(cc1)NC1=N/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1"	"ZBYBDKHFLSHGBP-QNGOZBTKSA-N"	"InChI=1S/C25H30N4O7/c26-7-8-31-9-10-32-11-12-33-13-14-34-20-4-2-19(3-5-20)27-25-28-21(24(30)29-25)15-18-1-6-22-23(16-18)36-17-35-22/h1-6,15-16H,7-14,17,26H2,(H2,27,28,29,30)/b21-15-"	""	""	""
"8618"	"compound 3b [PMID: 24946214]"	""	"Synthetic organic"	""	""	""	""	"252166819"	"90645049"	""	""	"CHEMBL3287940"	""	""	""	""	"[(1R)-3-methyl-1-[3-(1-oxoisoquinolin-2-yl)propanoylamino]butyl]boronic acid"	""	""	"CC(C[C@@H](B(O)O)NC(=O)CCn1ccc2c(c1=O)cccc2)C"	"QCKLWTRAVKQTPI-HNNXBMFYSA-N"	"InChI=1S/C17H23BN2O4/c1-12(2)11-15(18(23)24)19-16(21)8-10-20-9-7-13-5-3-4-6-14(13)17(20)22/h3-7,9,12,15,23-24H,8,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1"	""	""	""
"9825"	"compound 3b [PMID:28943244]"	""	"Synthetic organic"	""	""	""	""	"354702296"	"45560410"	""	""	""	""	""	""	""	"N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide"	""	""	"COc1ccccc1N1CCN(CC1)CCNC(=O)c1ccccn1"	"ARQDTTRYUMUINH-UHFFFAOYSA-N"	"InChI=1S/C19H24N4O2/c1-25-18-8-3-2-7-17(18)23-14-12-22(13-15-23)11-10-21-19(24)16-6-4-5-9-20-16/h2-9H,10-15H2,1H3,(H,21,24)"	""	""	""
"14118"	"compound 3b [PMID: 34097384]"	""	"Synthetic organic"	""	""	""	""	"518520745"	"171344509"	""	""	"CHEMBL5315274"	""	""	""	""	"2-[(Z)-[4-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]phenyl]methylideneamino]guanidine"	""	""	"NC(N/N=C\C=1C=CC(=CC1)C2=CC=CC(C3=CC=C(/C=N/NC(N)=N)C=C3)=C2)=N"	"LRQCOQKVMDNNTF-DYCUMYEBSA-N"	"InChI=1S/C22H22N8/c23-21(24)29-27-13-15-4-8-17(9-5-15)19-2-1-3-20(12-19)18-10-6-16(7-11-18)14-28-30-22(25)26/h1-14H,(H4,23,24,29)(H4,25,26,30)/b27-13-,28-14+"	""	""	""
"10591"	"compound 3c [PMID: 30360354]"	""	"Peptide"	""	""	""	""	"404859038"	"145996524"	""	""	""	""	""	""	""	"(2S)-6-amino-2-[(2R)-2-({[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-N'-[(4-fluorocyclohexyl)methyl]propanehydrazido]sulfonyl}amino)-3-phenylpropanamido]hexanamide"	""	"[As(4-F)F4]-GHRP-6|azasulfuryl-p-fluorophenylalanine-4-[As(4-F)F<sup>4</sup>]-GHRP-6|H-His-D-Trp-Ala-(4-F)AsF-D-Phe-Lys-NH2"	"NCCCC[C@@H](C(=O)N)NC(=O)[C@H](NS(=O)(=O)N(NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]cn1)N)C)CC1CCC(CC1)F)Cc1ccccc1"	"WYIBLRVRRGCPGV-FQYZGFJBSA-N"	"InChI=1S/C42H59FN12O7S/c1-26(50-41(59)36(20-29-22-48-34-12-6-5-11-32(29)34)52-40(58)33(45)21-31-23-47-25-49-31)39(57)53-55(24-28-14-16-30(43)17-15-28)63(61,62)54-37(19-27-9-3-2-4-10-27)42(60)51-35(38(46)56)13-7-8-18-44/h2-6,9-12,22-23,25-26,28,30,33,35-37,48,54H,7-8,13-21,24,44-45H2,1H3,(H2,46,56)(H,47,49)(H,50,59)(H,51,60)(H,52,58)(H,53,57)/t26-,28?,30?,33-,35-,36+,37+/m0/s1"	"yes"	""	""
"13439"	"compound 3d [PMID: 38953866]"	""	"Synthetic organic"	""	""	""	""	"500839849"	"172011801"	""	""	""	""	""	""	""	""	""	""	"ClC=1C=C(CN2[C@@H](CCC2=O)COC(=O)N[C@H](C(=O)N[C@H](C(S(=O)(=O)O)O)C[C@H]3C(NCC3)=O)CC(C)C)C=CC1"	"JNJYSDKMQGAPIR-OXVAQWQNSA-N"	"InChI=1S/C26H37ClN4O9S/c1-15(2)10-20(24(34)29-21(25(35)41(37,38)39)12-17-8-9-28-23(17)33)30-26(36)40-14-19-6-7-22(32)31(19)13-16-4-3-5-18(27)11-16/h3-5,11,15,17,19-21,25,35H,6-10,12-14H2,1-2H3,(H,28,33)(H,29,34)(H,30,36)(H,37,38,39)/t17-,19-,20-,21-,25?/m0/s1"	""	""	""
"8622"	"compound 3d [PMID: 3941405]"	""	"Synthetic organic"	""	""	""	""	"252166823"	"11241135"	""	""	"CHEMBL12954"	""	""	""	""	"2-amino-N-(1-cyano-2-phenylethyl)acetamide"	""	""	"NCC(=O)NC(Cc1ccccc1)C#N"	"QLVGHFBUSGYCCG-UHFFFAOYSA-N"	"InChI=1S/C11H13N3O/c12-7-10(14-11(15)8-13)6-9-4-2-1-3-5-9/h1-5,10H,6,8,13H2,(H,14,15)"	""	""	""
"7993"	"compound 3 [Dreyer <i>et al</i>., 1991]"	""	"Synthetic organic"	""	""	""	""	"315661095"	"44285652"	""	""	"CHEMBL39102"	""	""	""	""	"(3S)-4-[2-(2,4-dichloro-6-phenylmethoxyphenyl)ethyl-hydroxyphosphoryl]-3-hydroxybutanoic acid"	""	""	"OC(=O)C[C@@H](CP(=O)(CCc1c(Cl)cc(cc1OCc1ccccc1)Cl)O)O"	"XKZCNQAYFRBCKR-HNNXBMFYSA-N"	"InChI=1S/C19H21Cl2O6P/c20-14-8-17(21)16(6-7-28(25,26)12-15(22)10-19(23)24)18(9-14)27-11-13-4-2-1-3-5-13/h1-5,8-9,15,22H,6-7,10-12H2,(H,23,24)(H,25,26)/t15-/m0/s1"	""	""	""
"10187"	"compound 3f [Festa <i>et al.</i>, 2019]"	""	"Synthetic organic"	""	""	""	""	"381118897"	"62715191"	""	""	""	""	""	""	""	""	""	""	"N1CCC(CC1)c1onc(n1)c1ccc2c(c1)cccc2"	"PPCNFLPYHQIYHP-UHFFFAOYSA-N"	"InChI=1S/C17H17N3O/c1-2-4-14-11-15(6-5-12(14)3-1)16-19-17(21-20-16)13-7-9-18-10-8-13/h1-6,11,13,18H,7-10H2"	""	""	""
"3111"	"compound 3f [PMID: 12238936]"	""	"Synthetic organic"	""	""	""	""	"135649715"	"11071684"	""	""	"CHEMBL142877"	""	""	""	""	"3-{2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetamido}propanoic acid"	""	""	"COc1cccc(c1OC)[C@H]1O[C@H](CC(=O)NCCC(=O)O)C(=O)N(c2c1cc(Cl)cc2)CC(CO)(C)C"	"PILXQRRCKWZQCO-ZJSXRUAMSA-N"	"InChI=1S/C27H33ClN2O8/c1-27(2,15-31)14-30-19-9-8-16(28)12-18(19)24(17-6-5-7-20(36-3)25(17)37-4)38-21(26(30)35)13-22(32)29-11-10-23(33)34/h5-9,12,21,24,31H,10-11,13-15H2,1-4H3,(H,29,32)(H,33,34)/t21-,24-/m1/s1"	""	""	""
"3116"	"compound 3f [PMID: 7966163]"	""	"Synthetic organic"	""	""	""	""	"135649851"	"44352891"	""	""	"CHEMBL131335"	""	""	""	""	"(6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-4,7-dihydroxy-6-[(11-phenoxyundecanoyl)oxy]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid"	""	""	"CC(=O)O[C@@H]([C@@H](Cc1ccccc1)C)C(=C)CCC12OC(C(=O)O)C(C(O1)([C@@H]([C@H]2O)OC(=O)CCCCCCCCCCOc1ccccc1)C(=O)O)(O)C(=O)O"	"MNIPVWXWSPXERA-IDNZQHFXSA-N"	"InChI=1S/C42H54O15/c1-27(33(54-29(3)43)28(2)26-30-18-12-10-13-19-30)23-24-40-34(45)35(42(57-40,39(50)51)41(52,38(48)49)36(56-40)37(46)47)55-32(44)22-16-8-6-4-5-7-9-17-25-53-31-20-14-11-15-21-31/h10-15,18-21,28,33-36,45,52H,1,4-9,16-17,22-26H2,2-3H3,(H,46,47)(H,48,49)(H,50,51)/t28-,33-,34-,35-,36?,40?,41?,42?/m1/s1"	""	""	""
"2956"	"compound 3h [PMID: 8246234]"	""	"Synthetic organic"	""	""	""	""	"135650588"	"9937377"	""	""	"CHEMBL445123"	""	""	""	""	"methyl (3R,5S,6E)-7-[3-bromo-4,5-bis(4-fluorophenyl)-2-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyhept-6-enoate"	""	""	"COC(=O)C[C@@H](C[C@@H](/C=C/n1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccc(cc1)F)Br)O)O"	"MUTCAPXLKRYEPR-ITWZMISCSA-N"	"InChI=1S/C27H28BrF2NO4/c1-16(2)26-25(28)24(17-4-8-19(29)9-5-17)27(18-6-10-20(30)11-7-18)31(26)13-12-21(32)14-22(33)15-23(34)35-3/h4-13,16,21-22,32-33H,14-15H2,1-3H3/b13-12+/t21-,22-/m1/s1"	""	""	""
"5738"	"compound 3j [PMID: 21444206]"	""	"Synthetic organic"	""	""	""	""	"178102364"	"53630394"	""	""	"CHEMBL1775178"	""	""	""	""	"tert-butyl 4-{[1-(2-fluoro-4-methanesulfonylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}piperidine-1-carboxylate"	""	""	"O=C(N1CCC(CC1)Oc1ncnc2c1cnn2c1ccc(cc1F)S(=O)(=O)C)OC(C)(C)C"	"FEAQKOJMPVAIBR-UHFFFAOYSA-N"	"InChI=1S/C22H26FN5O5S/c1-22(2,3)33-21(29)27-9-7-14(8-10-27)32-20-16-12-26-28(19(16)24-13-25-20)18-6-5-15(11-17(18)23)34(4,30)31/h5-6,11-14H,7-10H2,1-4H3"	""	""	""
"2979"	"compound 3j [PMID: 2231594]"	""	"Synthetic organic"	""	""	""	""	"135649780"	"44331788"	""	""	"CHEMBL319318"	""	""	""	""	"(3S)-4-({[2-(4-fluoro-3-methylphenyl)-4-methyl-6-(propan-2-yl)phenyl]methoxy}(hydroxy)phosphoryl)-3-hydroxybutanoic acid"	""	""	"OC(=O)C[C@@H](CP(=O)(OCc1c(cc(cc1c1ccc(c(c1)C)F)C)C(C)C)O)O"	"WHQUHTXULUACFD-KRWDZBQOSA-N"	"InChI=1S/C22H28FO6P/c1-13(2)18-7-14(3)8-19(16-5-6-21(23)15(4)9-16)20(18)11-29-30(27,28)12-17(24)10-22(25)26/h5-9,13,17,24H,10-12H2,1-4H3,(H,25,26)(H,27,28)/t17-/m0/s1"	""	""	""
"11553"	"compound 3j [PMID: 33975947]"	""	"Synthetic organic"	""	""	""	""	"441604925"	"155925849"	""	""	""	""	""	""	""	"[(1S)-1-[[2-[[(2R)-2-[[(2R)-2-acetamido-2-cyclopentylacetyl]amino]-3-methylbutanoyl]amino]acetyl]amino]ethyl]boronic acid"	""	""	"O=C(N[C@@H](B(O)O)C)CNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C1CCCC1)NC(=O)C"	"VFMMJZMQRGSBSO-HFBAOOFYSA-N"	"InChI=1S/C18H33BN4O6/c1-10(2)15(17(26)20-9-14(25)21-11(3)19(28)29)23-18(27)16(22-12(4)24)13-7-5-6-8-13/h10-11,13,15-16,28-29H,5-9H2,1-4H3,(H,20,26)(H,21,25)(H,22,24)(H,23,27)/t11-,15-,16-/m1/s1"	""	"yes"	""
"2978"	"compound 3k [PMID: 2231594]"	""	"Synthetic organic"	""	""	""	""	"135649779"	"44331589"	""	""	"CHEMBL101436"	""	""	""	""	"(3S)-4-({2-[2-(4-fluoro-3-methylphenyl)-4-methyl-6-(propan-2-yl)phenyl]ethyl}(hydroxy)phosphoryl)-3-hydroxybutanoic acid"	""	""	"OC(=O)C[C@@H](CP(=O)(CCc1c(cc(cc1c1ccc(c(c1)C)F)C)C(C)C)O)O"	"IZGDXVLRMHXOJV-SFHVURJKSA-N"	"InChI=1S/C23H30FO5P/c1-14(2)20-9-15(3)10-21(17-5-6-22(24)16(4)11-17)19(20)7-8-30(28,29)13-18(25)12-23(26)27/h5-6,9-11,14,18,25H,7-8,12-13H2,1-4H3,(H,26,27)(H,28,29)/t18-/m0/s1"	""	""	""
"10748"	"compound 3k [PMID: 24568342]"	""	"Synthetic organic"	""	""	""	""	"405560189"	"73659186"	""	""	"CHEMBL3233815"	""	""	""	""	"N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide"	""	""	"Fc1cccc(c1)CNC(=O)C1CCN(CC1)[C@@H](c1cccc2c1cccc2)C"	"XJTWGMHOQKGBDO-GOSISDBHSA-N"	"InChI=1S/C25H27FN2O/c1-18(23-11-5-8-20-7-2-3-10-24(20)23)28-14-12-21(13-15-28)25(29)27-17-19-6-4-9-22(26)16-19/h2-11,16,18,21H,12-15,17H2,1H3,(H,27,29)/t18-/m1/s1"	""	""	""
"13523"	"compound 3k [PMID: 28688274]"	""	"Synthetic organic"	""	""	""	""	"500839933"	"131698387"	""	""	"CHEMBL4128703"	""	""	""	""	"(3-methyl-1,4-dioxonaphthalen-2-yl)methyl piperidine-1-carbodithioate"	""	""	"S=C(N1CCCCC1)SCC=2C(=O)C3=C(C(C2C)=O)C=CC=C3"	"STAFOGVMELKGRI-UHFFFAOYSA-N"	"InChI=1S/C18H19NO2S2/c1-12-15(11-23-18(22)19-9-5-2-6-10-19)17(21)14-8-4-3-7-13(14)16(12)20/h3-4,7-8H,2,5-6,9-11H2,1H3"	""	""	""
"10394"	"compound 3l [PMID: 30637955]"	""	"Synthetic organic"	""	""	""	""	"384403673"	"117961403"	""	""	""	""	""	""	""	"1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-3-N,5-dimethyl-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide"	""	""	"Cc1cc(cc(c1)C(=O)N([C@@H](c1ccccc1)C)C)C(=O)N[C@H]([C@@H](CNCc1cccc(c1)C(F)(F)F)O)Cc1ccccc1"	"KQGVKXJLEHXBDS-CBHGIOBQSA-N"	"InChI=1S/C36H38F3N3O3/c1-24-17-29(21-30(18-24)35(45)42(3)25(2)28-14-8-5-9-15-28)34(44)41-32(20-26-11-6-4-7-12-26)33(43)23-40-22-27-13-10-16-31(19-27)36(37,38)39/h4-19,21,25,32-33,40,43H,20,22-23H2,1-3H3,(H,41,44)/t25-,32+,33-/m1/s1"	""	""	""
"11099"	"compound 3m [PMID: 32603117]"	""	"Synthetic organic"	""	""	""	""	"434122160"	"154699442"	""	""	""	""	""	""	""	"(R)-1-(tert-Butyl)-6-((1-(4-chlorophenyl)ethyl)amino)-5-(4-fluorobenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one"	""	""	"Fc1ccc(cc1)Cn1c(N[C@@H](c2ccc(cc2)Cl)C)nc2c(c1=O)cnn2C(C)(C)C"	"BOOYHBPHFVNWNH-OAHLLOKOSA-N"	"InChI=1S/C24H25ClFN5O/c1-15(17-7-9-18(25)10-8-17)28-23-29-21-20(13-27-31(21)24(2,3)4)22(32)30(23)14-16-5-11-19(26)12-6-16/h5-13,15H,14H2,1-4H3,(H,28,29)/t15-/m1/s1"	""	""	""
"6364"	"compound 3 [PMID: 12470711]"	""	"Synthetic organic"	""	""	""	""	"178102982"	"73755211"	""	""	""	""	""	""	""	"4-(2,2-dimethylpropyl) 2-propyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate"	""	""	"CCCOC(=O)c1[nH]c(c(c1C)C(=O)OCC(C)(C)C)C"	"JFOGEVBSXYRAFN-UHFFFAOYSA-N"	"InChI=1S/C16H25NO4/c1-7-8-20-15(19)13-10(2)12(11(3)17-13)14(18)21-9-16(4,5)6/h17H,7-9H2,1-6H3"	""	""	""
"8675"	"compound 3 [PMID: 14640538]"	""	"Synthetic organic"	""	""	""	""	"252166875"	"123726"	""	""	""	""	""	""	""	"2-[2-(diaminomethylideneamino)ethylsulfanylmethyl]-3-sulfanylpropanoic acid"	""	"2-mercaptomethyl-3-guanidinoethylthiopropanoic acid|2-Mmgetpa|DL-2-mercaptomethyl-3-guanidinoethyl-thiopropanoic acid|mergepta|MGTA"	"SCC(C(=O)O)CSCCN=C(N)N"	"AKPKWZRKZOAAAZ-UHFFFAOYSA-N"	"InChI=1S/C7H15N3O2S2/c8-7(9)10-1-2-14-4-5(3-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)"	""	""	""
"11640"	"compound 3 [PMID: 16884309]"	""	"Peptide"	""	""	""	""	"442878667"	"72963936"	""	""	""	""	""	""	""	"ethyl 4-[[4-methyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate"	""	""	"CCOC(=O)C=CC(NC(=O)C(NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)CC(C)C)CC1CCNC1=O"	"WDMSWWUPIMEGNZ-UHFFFAOYSA-N"	"InChI=1S/C30H44N4O7/c1-6-40-25(35)13-12-23(17-22-14-15-31-27(22)36)32-28(37)24(16-19(2)3)33-29(38)26(20(4)5)34-30(39)41-18-21-10-8-7-9-11-21/h7-13,19-20,22-24,26H,6,14-18H2,1-5H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)"	""	""	""
"8556"	"compound 3 [PMID: 17942791]"	""	"Synthetic organic"	""	""	""	""	"252166757"	"219564"	""	""	"CHEMBL1979298"	""	""	""	""	"4-[[(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoic acid"	""	""	"OC(=O)c1ccc(cc1)NC(c1ccc2c(c1O)nccc2)c1ccccc1"	"PSCFZETTYRDCRM-UHFFFAOYSA-N"	"InChI=1S/C23H18N2O3/c26-22-19(13-10-16-7-4-14-24-21(16)22)20(15-5-2-1-3-6-15)25-18-11-8-17(9-12-18)23(27)28/h1-14,20,25-26H,(H,27,28)"	""	""	""
"8747"	"compound 3 [PMID: 18255300]"	""	"Synthetic organic"	""	""	""	""	"252827405"	"25113689"	""	""	"CHEMBL456432"	""	""	""	""	"3-(4-hydroxy-3,5-diiodobenzoyl)-2-propylchromen-4-one"	""	""	"CCCc1oc2ccccc2c(=O)c1C(=O)c1cc(I)c(c(c1)I)O"	"UQTXCTDQSVOMGL-UHFFFAOYSA-N"	"InChI=1S/C19H14I2O4/c1-2-5-15-16(18(23)11-6-3-4-7-14(11)25-15)17(22)10-8-12(20)19(24)13(21)9-10/h3-4,6-9,24H,2,5H2,1H3"	""	""	""
"8185"	"compound 3 [PMID: 19097791]"	""	"Synthetic organic"	""	""	""	""	"249565865"	"135928471"	""	""	"CHEMBL514197"	""	""	""	""	"2-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-indazol-6-yl}phenol"	""	""	"COc1cc(ccc1O)c1ccc2c(c1)[nH]nc2c1nc2c([nH]1)cccc2N1CCN(CC1)C"	"KKMLIJHOUUKCSW-UHFFFAOYSA-N"	"InChI=1S/C26H26N6O2/c1-31-10-12-32(13-11-31)21-5-3-4-19-25(21)28-26(27-19)24-18-8-6-16(14-20(18)29-30-24)17-7-9-22(33)23(15-17)34-2/h3-9,14-15,33H,10-13H2,1-2H3,(H,27,28)(H,29,30)"	""	""	""
"3126"	"compound 3 [PMID: 19191557]"	""	"Synthetic organic"	""	""	""	""	"135649671"	"56947011"	""	""	"CHEMBL1207938"	""	""	""	""	"(1-phosphonato-4-{4-[4-(trifluoromethyl)phenyl]phenyl}butyl)phosphonate"	""	""	"FC(c1ccc(cc1)c1ccc(cc1)CCCC(P(=O)([O-])[O-])P(=O)([O-])[O-])(F)F"	"UPZLJSDZIBONGH-UHFFFAOYSA-J"	"InChI=1S/C17H19F3O6P2/c18-17(19,20)15-10-8-14(9-11-15)13-6-4-12(5-7-13)2-1-3-16(27(21,22)23)28(24,25)26/h4-11,16H,1-3H2,(H2,21,22,23)(H2,24,25,26)/p-4"	""	""	""
"6223"	"compound 3 [PMID: 21105727]"	""	"Synthetic organic"	""	""	""	""	"178102844"	"49858117"	""	""	"CHEMBL1630806"	""	""	""	""	"(6E)-6-(hydroxyimino)-N-(4-methylphenyl)-2-oxatricyclo[5.4.0.0^{3,5}]undeca-1(11),7,9-triene-3-carboxamide"	""	""	"O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)C"	"VKCTUZKPBYSTDW-SILNSSARSA-N"	"InChI=1S/C18H16N2O3/c1-11-6-8-12(9-7-11)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)23-18/h2-9,14,22H,10H2,1H3,(H,19,21)/b20-16-"	""	""	""
"5724"	"compound 3 [PMID: 21310611]"	""	"Synthetic organic"	""	""	""	""	"178102350"	"51346816"	""	""	"CHEMBL1683943"	""	""	""	""	"(1-methylcyclopropyl) 4-[(1S)-1-fluoro-2-[[2-(2,3,6-trifluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxylate"	""	""	"O=C(Cc1c(F)ccc(c1F)F)NC[C@H](C1CCN(CC1)C(=O)OC1(C)CC1)F"	"QCIKTRZVLCLGFT-MRXNPFEDSA-N"	"InChI=1S/C20H24F4N2O3/c1-20(6-7-20)29-19(28)26-8-4-12(5-9-26)16(23)11-25-17(27)10-13-14(21)2-3-15(22)18(13)24/h2-3,12,16H,4-11H2,1H3,(H,25,27)/t16-/m1/s1"	""	""	""
"8745"	"compound 3 [PMID: 21650226]"	""	"Synthetic organic"	""	""	""	""	"252827403"	"46836953"	""	""	"CHEMBL1800139"	""	""	""	""	"(5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione"	""	""	"O=C1NC(=O)/C(=C/c2ccc(c(c2)Cl)OCCC2CCCCC2)/S1"	"DBBGLVJTGXKCHY-WJDWOHSUSA-N"	"InChI=1S/C18H20ClNO3S/c19-14-10-13(11-16-17(21)20-18(22)24-16)6-7-15(14)23-9-8-12-4-2-1-3-5-12/h6-7,10-12H,1-5,8-9H2,(H,20,21,22)/b16-11-"	""	""	""
"6711"	"compound 3 [PMID: 22533316]"	""	"Synthetic organic"	""	""	""	""	"178103322"	"10138707"	""	""	"CHEMBL1186807"	""	""	""	""	"2-[4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]butyl-ethylamino]ethanol"	""	""	"OCCN(CCCCOc1ccc2c(c1)snc2c1ccc(cc1)Br)CC"	"XHOKJNHLSGAYJL-UHFFFAOYSA-N"	"InChI=1S/C21H25BrN2O2S/c1-2-24(12-13-25)11-3-4-14-26-18-9-10-19-20(15-18)27-23-21(19)16-5-7-17(22)8-6-16/h5-10,15,25H,2-4,11-14H2,1H3"	""	""	""
"9190"	"compound 3 [PMID: 23134120]"	""	"Synthetic organic"	""	""	""	""	"315661269"	"71452040"	""	""	"CHEMBL2180638"	""	""	""	""	"3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol"	""	"HS6666"	"Oc1cccc(c1)CCN(CC1CC1)CCc1ccccc1"	"QURAQIGQNZYJHP-UHFFFAOYSA-N"	"InChI=1S/C20H25NO/c22-20-8-4-7-18(15-20)12-14-21(16-19-9-10-19)13-11-17-5-2-1-3-6-17/h1-8,15,19,22H,9-14,16H2"	""	""	""
"8488"	"compound 3 [PMID: 23849879]"	""	"Synthetic organic"	""	""	""	""	"252166696"	"970375"	""	""	"CHEMBL1413622"	""	""	""	""	"(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methylphenyl)methanone"	""	""	"Cc1ccc(cc1)C(=O)n1nc(nc1N)c1cccnc1"	"BIEYFOHSWAIQDF-UHFFFAOYSA-N"	"InChI=1S/C15H13N5O/c1-10-4-6-11(7-5-10)14(21)20-15(16)18-13(19-20)12-3-2-8-17-9-12/h2-9H,1H3,(H2,16,18,19)"	""	""	""
"8682"	"compound 3 [PMID: 24440480]"	""	"Synthetic organic"	""	""	""	""	"252166882"	"21771691"	""	""	"CHEMBL57818"	""	""	""	""	"7-amino-2-pyridin-2-ylquinoline-5,8-dione"	""	""	"NC1=CC(=O)c2c(C1=O)nc(cc2)c1ccccn1"	"UMMNKCUSQIKSGP-UHFFFAOYSA-N"	"InChI=1S/C14H9N3O2/c15-9-7-12(18)8-4-5-11(17-13(8)14(9)19)10-3-1-2-6-16-10/h1-7H,15H2"	""	""	""
"7868"	"compound 3  [PMID: 24900526]"	""	"Synthetic organic"	""	""	""	""	"223366198"	"66560533"	""	""	"CHEMBL2205657"	""	""	""	""	"(4S)-5-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-[[(2S)-4-carboxy-2-[[(2S)-4-methyl-2-[[2-[[(2S)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]pentanoyl]-(4-phenylphenyl)sulfonylamino]acetyl]amino]pentanoyl]amino]butanoyl]amino]-5-oxopentanoic acid"	""	""	"OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)C)CCC(=O)O)NC(=O)[C@@H](NC(=O)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)CC(C)C)CC(C)C"	"XGNIOZCAZTWXMZ-WCHFFXHOSA-N"	"InChI=1S/C52H68N8O15S/c1-31(2)27-40(49(69)57-39(23-25-45(64)65)48(68)56-38(22-24-44(62)63)47(67)54-33(5)46(53)66)55-43(61)29-60(76(73,74)37-20-18-36(19-21-37)35-15-10-7-11-16-35)51(71)41(28-32(3)4)58-50(70)42-17-12-26-59(42)52(72)75-30-34-13-8-6-9-14-34/h6-11,13-16,18-21,31-33,38-42H,12,17,22-30H2,1-5H3,(H2,53,66)(H,54,67)(H,55,61)(H,56,68)(H,57,69)(H,58,70)(H,62,63)(H,64,65)/t33-,38-,39-,40-,41-,42-/m0/s1"	""	""	""
"7811"	"compound 3 [PMID: 25408830]"	""	"Synthetic organic"	""	""	""	""	"223366142"	"15990224"	""	""	"CHEMBL1522313"	""	""	""	""	"N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide"	""	""	"COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)n(c(=O)n2C)C"	"LTUGYAOMCKNTGG-UHFFFAOYSA-N"	"InChI=1S/C22H26N4O3/c1-24-18-13-16(23-21(27)15-9-5-6-10-20(15)29-3)17(26-11-7-4-8-12-26)14-19(18)25(2)22(24)28/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,23,27)"	""	""	""
"12221"	"compound 3 [PMID: 26055709]"	""	"Synthetic organic"	""	""	""	""	"472319341"	"138454777"	""	""	""	""	""	""	""	"3-[6-[3-(hydroxymethyl)-2-phenylmorpholine-4-carbonyl]-1-methylbenzimidazol-2-yl]-1H-indole-6-carbonitrile"	""	"GSK3036342A|PDE12-IN-3"	"Cn1c2c(ccc(c2)C(=O)N2CCOC(C2CO)c2ccccc2)nc1c1c[nH]c2cc(ccc12)C#N"	"BFUYKHPXWBXKQQ-UHFFFAOYSA-N"	"InChI=1S/C29H25N5O3/c1-33-25-14-20(29(36)34-11-12-37-27(26(34)17-35)19-5-3-2-4-6-19)8-10-23(25)32-28(33)22-16-31-24-13-18(15-30)7-9-21(22)24/h2-10,13-14,16,26-27,31,35H,11-12,17H2,1H3"	""	""	""
"8936"	"compound 3 [PMID: 26191365]"	""	"Synthetic organic"	""	""	""	""	"310264717"	"117072547"	""	""	""	""	""	""	""	""	""	""	"FC(CN1C2C=CC(=CC2N=C(C2C1C=CC(=C2)Cl)NC1CCN(C1)C(=O)NC(C)C)F)F"	"QPXRZHIUNWUCFG-UHFFFAOYSA-N"	"InChI=1S/C23H29ClF3N5O/c1-13(2)28-23(33)31-8-7-16(11-31)29-22-17-9-14(24)3-5-19(17)32(12-21(26)27)20-6-4-15(25)10-18(20)30-22/h3-6,9-10,13,16-21H,7-8,11-12H2,1-2H3,(H,28,33)(H,29,30)"	""	""	""
"9337"	"compound 3 [PMID: 27347366]"	""	"Synthetic organic"	""	""	""	""	"318164856"	"89836339"	""	""	""	""	""	""	""	"1-N-[(2S,3R)-3-hydroxy-4-[[(2S,3S)-3-hydroxy-1-(2-methylpropylamino)-1-oxohexan-2-yl]amino]-1-phenylbutan-2-yl]-3-N-methyl-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide"	""	"Compound 6412 from US9096541"	"CCC[C@@H]([C@@H](C(=O)NCC(C)C)NC[C@H]([C@@H](NC(=O)c1cccc(c1)C(=O)N([C@@H](c1ccccc1)C)C)Cc1ccccc1)O)O"	"PHXSVGGLTIKXSW-GUZVZUIYSA-N"	"InChI=1S/C37H50N4O5/c1-6-14-32(42)34(36(45)39-23-25(2)3)38-24-33(43)31(21-27-15-9-7-10-16-27)40-35(44)29-19-13-20-30(22-29)37(46)41(5)26(4)28-17-11-8-12-18-28/h7-13,15-20,22,25-26,31-34,38,42-43H,6,14,21,23-24H2,1-5H3,(H,39,45)(H,40,44)/t26-,31+,32+,33-,34+/m1/s1"	""	""	""
"9628"	"compound 3 [PMID: 28603634]"	""	"Synthetic organic"	""	""	""	""	"340590258"	"91810751"	""	""	""	""	""	""	""	"3-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoic acid"	""	""	"OCc1cccc(c1)c1ccc(c(n1)C(=O)Nc1c(C)ccc(c1C)C(=O)O)C"	"WRBLOVAXQYYLFM-UHFFFAOYSA-N"	"InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)"	"yes"	""	""
"9960"	"compound 3 [PMID: 29633584]"	""	"Synthetic organic"	""	""	""	""	"374883847"	"134611884"	""	""	""	""	""	""	""	"3-(2,4-dimethoxypyrimidin-5-yl)quinoline-5,8-dicarboxylic acid"	""	""	"COc1nc(OC)ncc1c1cnc2c(c1)c(ccc2C(=O)O)C(=O)O"	"CAGSRYBLIZYFGG-UHFFFAOYSA-N"	"InChI=1S/C17H13N3O6/c1-25-14-12(7-19-17(20-14)26-2)8-5-11-9(15(21)22)3-4-10(16(23)24)13(11)18-6-8/h3-7H,1-2H3,(H,21,22)(H,23,24)"	"yes"	""	""
"10606"	"compound 3 [PMID: 31804822]"	""	"Synthetic organic"	""	""	""	""	"404859053"	"145996530"	""	""	""	""	""	""	""	""	""	""	"O=C(CCc1ccc(cc1)S(=O)(=O)Nc1cc(C)c(=O)n(c1Nc1ccc(cc1F)I)C)NCCOCCOCCOCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C)O"	"RQBUNBWHIATPNI-WQWWALRQSA-N"	"InChI=1S/C53H66FIN8O11S2/c1-32-26-43(49(62(7)51(32)68)59-42-18-15-38(55)27-41(42)54)61-76(70,71)40-16-8-35(9-17-40)10-19-45(65)56-20-21-72-22-23-73-24-25-74-30-46(66)60-48(53(4,5)6)52(69)63-29-39(64)28-44(63)50(67)58-33(2)36-11-13-37(14-12-36)47-34(3)57-31-75-47/h8-9,11-18,26-27,31,33,39,44,48,59,61,64H,10,19-25,28-30H2,1-7H3,(H,56,65)(H,58,67)(H,60,66)/t33-,39+,44-,48+/m0/s1"	""	""	""
"11214"	"compound 3 [PMID: 32258933]"	""	"Synthetic organic"	""	""	""	""	"434122274"	"10806082"	""	""	"CHEMBL294083"	""	""	""	""	"5-chloro-1-(phenylmethyl)-2-piperazin-1-ylbenzimidazole"	""	""	"Clc1ccc2c(c1)nc(n2Cc1ccccc1)N1CCNCC1"	"RDAXAGXJSCEYLT-UHFFFAOYSA-N"	"InChI=1S/C18H19ClN4/c19-15-6-7-17-16(12-15)21-18(22-10-8-20-9-11-22)23(17)13-14-4-2-1-3-5-14/h1-7,12,20H,8-11,13H2"	""	"yes"	""
"11159"	"compound 3 [PMID: 32636746]"	""	"Synthetic organic"	""	""	""	""	"434122219"	"138634054"	""	""	""	""	""	""	""	"N-[(1S)-1-[3-chloro-5-fluoro-2-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]phenyl]ethyl]-2-(difluoromethoxy)acetamide"	""	"example 6 [WO2019101906]"	"FC(OCC(=O)N[C@H](c1cc(F)cc(c1COc1cccc2c1nc(C)cc2c1ncnn1C)Cl)C)F"	"ZTCLCSCHTACERP-AWEZNQCLSA-N"	"InChI=1S/C25H23ClF3N5O3/c1-13-7-18(24-30-12-31-34(24)3)16-5-4-6-21(23(16)32-13)36-10-19-17(8-15(27)9-20(19)26)14(2)33-22(35)11-37-25(28)29/h4-9,12,14,25H,10-11H2,1-3H3,(H,33,35)/t14-/m0/s1"	""	""	""
"8634"	"compound 3 [PMID: 8410973]"	""	"Synthetic organic"	""	""	""	""	"252166834"	"10078814"	""	""	"CHEMBL287423"	""	""	""	""	"(4S)-5-cyclohexyl-2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-[[(2S)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]pent-4-enoyl]amino]-3-oxopentanamide"	""	""	"C=CC[C@@H](C(=O)N[C@H](C(=O)C(C(=O)NCCN1CCOCC1)(F)F)CC1CCCCC1)NC(=O)[C@@H](NS(=O)(=O)N1CCOCC1)Cc1ccccc1"	"MQDDTALXSBQTQP-DTXPUJKBSA-N"	"InChI=1S/C35H52F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2,4,7-8,12-13,26,28-30,41H,1,3,5-6,9-11,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-/m0/s1"	""	""	""
"6720"	"compound 3 [PMID: 9003518]"	""	"Synthetic organic"	""	""	""	""	"178103331"	"10095126"	""	""	"CHEMBL64905"	""	""	""	""	"2,2-dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-14-(6-methylhept-5-en-2-ylsulfanyl)tetradeca-3,7,11-trienyl]oxirane"	""	""	"CC(CCC=C(C)C)SCC/C(=C/CC/C=C(/CC/C=C(/CCC1OC1(C)C)\C)\C)/C"	"CRZHANPLXOIADK-YNWRIEOZSA-N"	"InChI=1S/C29H50OS/c1-23(2)13-11-18-27(6)31-22-21-26(5)15-10-9-14-24(3)16-12-17-25(4)19-20-28-29(7,8)30-28/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-17+,26-15+"	""	""	""
"2977"	"compound 3q [PMID: 2231594]"	""	"Synthetic organic"	""	""	""	""	"135649781"	"44331779"	""	""	"CHEMBL102145"	""	""	""	""	"(3S)-4-{[(E)-2-[1-(4-fluorophenyl)-3-(propan-2-yl)-1H-indol-2-yl]ethenyl](hydroxy)phosphoryl}-3-hydroxybutanoic acid"	""	""	"OC(=O)C[C@@H](CP(=O)(/C=C/c1c(C(C)C)c2c(n1c1ccc(cc1)F)cccc2)O)O"	"RTTUBUXMNUJHRR-DXRVJIQQSA-N"	"InChI=1S/C23H25FNO5P/c1-15(2)23-19-5-3-4-6-20(19)25(17-9-7-16(24)8-10-17)21(23)11-12-31(29,30)14-18(26)13-22(27)28/h3-12,15,18,26H,13-14H2,1-2H3,(H,27,28)(H,29,30)/b12-11+/t18-/m0/s1"	""	""	""
"8815"	"compound 3 [Tuttle <i>et al</i>., 2013]"	""	"Synthetic organic"	""	""	""	""	"252827473"	"59627101"	""	""	"CHEMBL2321944"	""	""	""	""	"(3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one"	""	""	"O=C1[C@@H](N)Cc2c(N1O)ccc(c2)Oc1ccccc1"	"COBQSWIQOSRUIK-ZDUSSCGKSA-N"	"InChI=1S/C15H14N2O3/c16-13-9-10-8-12(20-11-4-2-1-3-5-11)6-7-14(10)17(19)15(13)18/h1-8,13,19H,9,16H2/t13-/m0/s1"	""	""	""
"10701"	"compound 3 [Uddin <i>et al</i>., 2020]"	""	"Synthetic organic"	""	""	""	""	"404859148"	"145927371"	""	""	""	""	""	""	""	"9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-3H,4H,9H-pyrido[3,4-b]indole"	""	""	"COc1ccc2c(c1)c1CCN=C(c1n2Cc1ccc(cc1)Cl)C"	"SRMUEFRMPPZYOH-UHFFFAOYSA-N"	"InChI=1S/C20H19ClN2O/c1-13-20-17(9-10-22-13)18-11-16(24-2)7-8-19(18)23(20)12-14-3-5-15(21)6-4-14/h3-8,11H,9-10,12H2,1-2H3"	""	""	""
"2976"	"compound 3u [PMID: 2231594]"	""	"Synthetic organic"	""	""	""	""	"135649782"	"44331800"	""	""	"CHEMBL329989"	""	""	""	""	"(3S)-4-{[(E)-2-[3'-(4-fluorophenyl)spiro[cyclopentane-1,1'-indene]-2'-yl]ethenyl](hydroxy)phosphoryl}-3-hydroxybutanoic acid"	""	""	"OC(=O)C[C@@H](CP(=O)(/C=C/C1=C(c2ccc(cc2)F)c2c(C31CCCC3)cccc2)O)O"	"AOSODOHQJJPEAM-VUVZNRFTSA-N"	"InChI=1S/C25H26FO5P/c26-18-9-7-17(8-10-18)24-20-5-1-2-6-21(20)25(12-3-4-13-25)22(24)11-14-32(30,31)16-19(27)15-23(28)29/h1-2,5-11,14,19,27H,3-4,12-13,15-16H2,(H,28,29)(H,30,31)/b14-11+/t19-/m0/s1"	""	""	""
"9683"	"compound 3v [PMID: 27390066]"	""	"Synthetic organic"	""	""	""	""	"348353642"	"127052870"	""	""	"CHEMBL3806197"	""	""	""	""	"[1-amino-2-[2-(4-methoxyphenyl)ethylamino]ethyl]phosphonic acid"	""	""	"COc1ccc(cc1)CCNCC(P(=O)(O)O)N"	"HFIVLLBFACNAFN-UHFFFAOYSA-N"	"InChI=1S/C11H19N2O4P/c1-17-10-4-2-9(3-5-10)6-7-13-8-11(12)18(14,15)16/h2-5,11,13H,6-8,12H2,1H3,(H2,14,15,16)"	"yes"	""	""
"8630"	"compound 40 [PMID: 10602705]"	""	"Synthetic organic"	""	""	""	""	"252166830"	"44365325"	""	""	"CHEMBL146746"	""	""	""	""	"(2S)-1-[(2S,3R)-2-[[(2R,3R)-3-amino-2-sulfanyl-5-sulfopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2,3-dicarboxylic acid"	""	"H(3)N(+)CH(CH(2)CH(2)SO(3)(-))CH(SH)CO-Ile-(3-COOH)Pro"	"CC[C@H]([C@@H](C(=O)N1CCC([C@H]1C(=O)O)C(=O)O)NC(=O)[C@@H]([C@@H](CCS(=O)(=O)O)N)S)C"	"HUWSZNZAROKDRZ-RRLWZMAJSA-N"	"InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12+,13-/m1/s1"	""	""	""
"11397"	"compound 40 [PMID: 33470814]"	""	"Synthetic organic"	""	""	""	""	"440816766"	"155817513"	""	""	""	""	""	""	""	"(E)-2-((1-Ethyl-3-methyl-1H-pyrazole-5-carbonyl)imino)-1-((E)-4-((E)-2-((1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)imino)-7-methoxy-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)but-2-en-1-yl)-7-(3-morpholinopropoxy)-2,3-dihydro-1H-benzo[d]imidazole-5-carboxamide"	""	""	"COc1cc(cc2c1n(C/C=C/Cn1/c(=N/C(=O)c3cc(nn3CC)C)/[nH]c3c1c(OCCCN1CCOCC1)cc(c3)C(=O)N)/c(=N/C(=O)c1cc(nn1CC)C)/[nH]2)c1ncn[nH]1"	"RZBQZKAZIZWIRZ-CMDGGOBGSA-N"	"InChI=1S/C43H51N15O6/c1-6-57-32(19-26(3)52-57)40(60)49-42-48-31-22-29(39-45-25-46-51-39)24-34(62-5)36(31)55(42)12-8-9-13-56-37-30(47-43(56)50-41(61)33-20-27(4)53-58(33)7-2)21-28(38(44)59)23-35(37)64-16-10-11-54-14-17-63-18-15-54/h8-9,19-25H,6-7,10-18H2,1-5H3,(H2,44,59)(H,45,46,51)(H,47,50,61)(H,48,49,60)/b9-8+"	""	""	""
"12837"	"compound 40 [PMID: 34347470]"	""	"Synthetic organic"	""	""	""	""	"483123385"	"156027236"	""	""	"CHEMBL5090994"	""	""	""	""	"2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[5-(1H-pyrazol-4-yl)pyridin-2-yl]acetamide"	""	""	"ClC1=CC=CC(CN(C(=O)CN2N=NC3=CC=CC=C23)C4=CC=C(C=N4)C5=CNN=C5)=C1"	"GITOTVPGLSPTSF-UHFFFAOYSA-N"	"InChI=1S/C23H18ClN7O/c24-19-5-3-4-16(10-19)14-30(22-9-8-17(11-25-22)18-12-26-27-13-18)23(32)15-31-21-7-2-1-6-20(21)28-29-31/h1-13H,14-15H2,(H,26,27)"	""	""	""
"11853"	"compound 40 [PMID: 34982553]"	""	"Synthetic organic"	""	""	""	""	"461663409"	"162679361"	""	""	""	""	""	""	""	""	""	"H2N-c[X-R-L-S-X]-K-G-P-(D-2Nal)"	"N[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C/C=C\C1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)Cc1ccc2ccccc2c1"	"IIVCDBIBOGOXBU-NXDMJTDOSA-N"	"InChI=1S/C49H73N13O11/c1-28(2)23-36-45(69)61-38(27-63)46(70)58-34(14-6-5-13-32(51)41(65)56-35(44(68)59-36)16-9-21-54-49(52)53)43(67)57-33(15-7-8-20-50)42(66)55-26-40(64)62-22-10-17-39(62)47(71)60-37(48(72)73)25-29-18-19-30-11-3-4-12-31(30)24-29/h3-6,11-12,18-19,24,28,32-39,63H,7-10,13-17,20-23,25-27,50-51H2,1-2H3,(H,55,66)(H,56,65)(H,57,67)(H,58,70)(H,59,68)(H,60,71)(H,61,69)(H,72,73)(H4,52,53,54)/b6-5-/t32-,33-,34-,35-,36-,37+,38-,39-/m0/s1"	""	""	""
"6702"	"compound 41 [PMID: 15026062]"	""	"Synthetic organic"	""	""	""	""	"178103313"	"10453818"	""	""	"CHEMBL49895"	""	""	""	""	"[4-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl] N-morpholin-4-ylcarbamate"	""	""	"O=C(C1CCC(CC1)C(C)(C)C)Nc1ccc(cc1)OC(=O)NN1CCOCC1"	"XSLDWDIQZLTRHG-UHFFFAOYSA-N"	"InChI=1S/C22H33N3O4/c1-22(2,3)17-6-4-16(5-7-17)20(26)23-18-8-10-19(11-9-18)29-21(27)24-25-12-14-28-15-13-25/h8-11,16-17H,4-7,12-15H2,1-3H3,(H,23,26)(H,24,27)"	""	""	""
"3006"	"compound 41 [PMID: 17574411]"	""	"Synthetic organic"	""	""	""	""	"135649749"	"24916963"	""	""	"CHEMBL228955"	""	""	""	""	"(3R,5R)-7-[3-(4-fluorophenyl)-8-oxo-7-phenyl-1-(propan-2-yl)-1H,4H,5H,6H,7H,8H-pyrrolo[2,3-c]azepin-2-yl]-3,5-dihydroxyheptanoate"	""	"2q6b"	"O[C@@H](C[C@H](CC(=O)[O-])O)CCc1c(c2ccc(cc2)F)c2c(n1C(C)C)C(=O)N(CCC2)c1ccccc1"	"OMBVEVHRIQULKW-DNQXCXABSA-M"	"InChI=1S/C30H35FN2O5/c1-19(2)33-26(15-14-23(34)17-24(35)18-27(36)37)28(20-10-12-21(31)13-11-20)25-9-6-16-32(30(38)29(25)33)22-7-4-3-5-8-22/h3-5,7-8,10-13,19,23-24,34-35H,6,9,14-18H2,1-2H3,(H,36,37)/p-1/t23-,24-/m1/s1"	""	""	""
"6420"	"compound 41 [PMID: 23434029]"	""	"Synthetic organic"	""	""	""	""	"178103036"	"71580330"	""	""	"CHEMBL2346725"	""	""	""	""	"1-(4-fluorophenyl)-2,5-dimethyl-N-(6-methylpyridin-2-yl)-1H-imidazole-4-carboxamide"	""	""	"Fc1ccc(cc1)n1c(C)nc(c1C)C(=O)Nc1cccc(n1)C"	"YQFYIHPLHNEXNE-UHFFFAOYSA-N"	"InChI=1S/C18H17FN4O/c1-11-5-4-6-16(20-11)22-18(24)17-12(2)23(13(3)21-17)15-9-7-14(19)8-10-15/h4-10H,1-3H3,(H,20,22,24)"	""	""	""
"9349"	"compound 41 [PMID: 25000588]"	""	"Synthetic organic"	""	""	""	""	"328083451"	"76285722"	""	""	""	""	""	""	""	"(1R)-1-methyl-9-[(3-methylazetidin-3-yl)amino]-8-(trifluoromethyl)-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one"	""	""	"O=C1NN=C2N([C@@H]1C)c1cc(NC3(C)CNC3)c(cc1OC2)C(F)(F)F"	"OUZPGLCFBNPQPF-MRVPVSSYSA-N"	"InChI=1S/C16H18F3N5O2/c1-8-14(25)23-22-13-5-26-12-3-9(16(17,18)19)10(4-11(12)24(8)13)21-15(2)6-20-7-15/h3-4,8,20-21H,5-7H2,1-2H3,(H,23,25)/t8-/m1/s1"	"yes"	""	""
"10598"	"compound 41 [PMID: 31855425]"	""	"Synthetic organic"	""	""	""	""	"404859045"	"145946093"	""	""	""	""	""	""	""	"(R)-2-Methoxy-N-(2-methoxy-5-(7-((4-(oxetan-3-yl)morpholin-2-yl)methoxy)-1,3-dihydroisobenzofuran-5-yl)pyridin-3-yl)ethanesulfonamide"	""	""	"COCCS(=O)(=O)Nc1cc(cnc1OC)c1cc(OC[C@@H]2OCCN(C2)C2COC2)c2c(c1)COC2"	"ZWPJBXLFZFLGMV-OAQYLSRUSA-N"	"InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m1/s1"	"yes"	""	""
"11999"	"compound 41 [PMID: 35436124]"	""	"Synthetic organic"	""	""	""	""	"464244140"	"153572662"	""	""	""	""	""	""	""	"2-[(S)-cyclopropyl-(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-7-(imidazol-1-ylmethyl)-3,4-dihydroisoquinolin-1-one"	""	""	"CCn1cc(c(n1)C(F)(F)F)c1cc(Cn2ccnc2)cc2c1CCN([C@@H](C1CC1)c1cc(C)ccn1)C2=O"	"FFUQRXFVTVBZMZ-SANMLTNESA-N"	"InChI=1S/C29H29F3N6O/c1-3-37-16-24(27(35-37)29(30,31)32)22-13-19(15-36-11-9-33-17-36)14-23-21(22)7-10-38(28(23)39)26(20-4-5-20)25-12-18(2)6-8-34-25/h6,8-9,11-14,16-17,20,26H,3-5,7,10,15H2,1-2H3/t26-/m0/s1"	""	""	""
"12331"	"compound 41 [PMID: 36630177]"	""	"Synthetic organic"	""	""	""	""	"479821122"	"167993633"	""	""	""	""	""	""	""	"2-(3-(1-((4′-Isopropyl-[1,1′-biphenyl]-3-yl)sulfonyl)piperidin-3-yl)phenoxy)-2-methyl-N-((4-(trifluoromethyl)phenyl)sulfonyl)propanamide"	""	""	"C(C)(C)c1ccc(cc1)c1cc(ccc1)S(=O)(=O)N1CC(CCC1)c1cc(OC(C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)(C)C)ccc1"	"QQIAMXDPJRMMQZ-UHFFFAOYSA-N"	"InChI=1S/C37H39F3N2O6S2/c1-25(2)26-13-15-27(16-14-26)29-9-6-12-34(23-29)50(46,47)42-21-7-10-30(24-42)28-8-5-11-32(22-28)48-36(3,4)35(43)41-49(44,45)33-19-17-31(18-20-33)37(38,39)40/h5-6,8-9,11-20,22-23,25,30H,7,10,21,24H2,1-4H3,(H,41,43)"	""	""	""
"14608"	"compound 41 [PMID: 42484069]"	""	"Synthetic organic"	""	""	""	""	"530846856"	"146275822"	""	""	""	""	""	""	""	"5-[(2R,6S)-2-methyl-6-[[4-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile"	""	"example 20 [WO2019238616]"	"C[C@@H]1CN(C[C@H](CN2CCN(CC2)C3=CC=4CNCCC4C=N3)O1)C5=CC=C(C#N)C6=NC=CC=C56"	"UFXUWZOCUWYCIA-YKSBVNFPSA-N"	"InChI=1S/C28H33N7O/c1-20-17-35(26-5-4-21(14-29)28-25(26)3-2-7-31-28)19-24(36-20)18-33-9-11-34(12-10-33)27-13-23-15-30-8-6-22(23)16-32-27/h2-5,7,13,16,20,24,30H,6,8-12,15,17-19H2,1H3/t20-,24+/m1/s1"	"yes"	""	""
"6446"	"compound 42 [PMID: 17189691]"	""	"Synthetic organic"	""	""	""	""	"178103062"	"73755223"	""	""	""	""	""	""	""	"N-(6-methylpyridin-2-yl)-2-oxo-2,3,4,5-tetrahydro-1,3-benzoxazole-4-carboxamide"	""	""	"O=C(C1CC=Cc2c1[nH]c(=O)o2)Nc1cccc(n1)C"	"ILTICRNSZLAODU-UHFFFAOYSA-N"	"InChI=1S/C14H13N3O3/c1-8-4-2-7-11(15-8)16-13(18)9-5-3-6-10-12(9)17-14(19)20-10/h2-4,6-7,9H,5H2,1H3,(H,17,19)(H,15,16,18)"	""	""	""
"3001"	"compound 42 [PMID: 17574411]"	""	"Synthetic organic"	""	""	""	""	"135649754"	"56947029"	""	""	"CHEMBL228528"	""	""	""	""	"(3R,5R)-7-[5-(3-fluorophenyl)-1-(4-fluorophenyl)-4-oxo-3-(propan-2-yl)-3H,4H,5H-pyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxyheptanoate"	""	""	"O[C@@H](C[C@H](CC(=O)[O-])O)CCc1c(c2ccc(cc2)F)c2c(n1C(C)C)c(=O)n(c1c2cccc1)c1cccc(c1)F"	"BJKPZWFEYXVKOA-JWQCQUIFSA-M"	"InChI=1S/C33H32F2N2O5/c1-19(2)36-28(15-14-24(38)17-25(39)18-29(40)41)30(20-10-12-21(34)13-11-20)31-26-8-3-4-9-27(26)37(33(42)32(31)36)23-7-5-6-22(35)16-23/h3-13,16,19,24-25,38-39H,14-15,17-18H2,1-2H3,(H,40,41)/p-1/t24-,25-/m1/s1"	""	""	""
"5794"	"compound 42 [PMID: 22420767]"	""	"Synthetic organic"	""	""	""	""	"178102419"	"73755156"	""	""	""	""	""	""	""	"3-(3,4-dichlorocyclohexyl)-7-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide"	""	""	"ClC1CCC(CC1Cl)c1cnn2c1ncc(c2C)C(=O)NCCOc1ccccc1"	"BHDJYYFELGTSTL-UHFFFAOYSA-N"	"InChI=1S/C22H24Cl2N4O2/c1-14-17(22(29)25-9-10-30-16-5-3-2-4-6-16)12-26-21-18(13-27-28(14)21)15-7-8-19(23)20(24)11-15/h2-6,12-13,15,19-20H,7-11H2,1H3,(H,25,29)"	""	""	""
"5735"	"compound 42 [PMID: 22545772]"	""	"Synthetic organic"	""	""	""	""	"178102361"	"60168163"	""	""	""	""	""	""	""	"4-[({2-[(2S)-2-methyl-4-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]pyrimidin-5-yl}oxy)methyl]pyridine-3-carbonitrile"	""	""	"N#Cc1cnccc1COc1cnc(nc1)N1CCN(C[C@@H]1C)c1noc(n1)C(C)C"	"UNGZTVLHLKAKQE-HNNXBMFYSA-N"	"InChI=1S/C21H24N8O2/c1-14(2)19-26-21(27-31-19)28-6-7-29(15(3)12-28)20-24-10-18(11-25-20)30-13-16-4-5-23-9-17(16)8-22/h4-5,9-11,14-15H,6-7,12-13H2,1-3H3/t15-/m0/s1"	""	""	""
"9085"	"compound 42 [PMID: 26938474]"	""	"Synthetic organic"	""	""	""	""	"315661170"	"121231397"	""	""	""	""	""	""	""	"2-[4-(1H-pyrazol-3-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-one"	""	""	"O=C1N(CCc2c1cccc2)c1ccc(cc1)c1cc[nH]n1"	"NEEFLDGZGNPYSN-UHFFFAOYSA-N"	"InChI=1S/C18H15N3O/c22-18-16-4-2-1-3-13(16)10-12-21(18)15-7-5-14(6-8-15)17-9-11-19-20-17/h1-9,11H,10,12H2,(H,19,20)"	""	""	""
"12942"	"compound 42 [PMID: 37721854]"	""	"Synthetic organic"	""	""	""	""	"485206063"	"169422746"	""	""	""	""	""	""	""	"tert-butyl N-[(1s,3s,5R,7S)-3-{[2-(5,6-difluoro-2,3-dihydro-1H-isoindol-2-yl)-2-oxoethyl]amino}adamantan-1-yl]carbamate"	""	""	"CC(C)(C)OC(=O)N[C@]12C[C@H]3C[C@H](C[C@](NCC(=O)N4CC5=C(C4)C=C(F)C(F)=C5)(C3)C1)C2"	"PYOHEUZJJMWWMD-NDKKOABESA-N"	"InChI=1S/C25H33F2N3O3/c1-23(2,3)33-22(32)29-25-9-15-4-16(10-25)8-24(7-15,14-25)28-11-21(31)30-12-17-5-19(26)20(27)6-18(17)13-30/h5-6,15-16,28H,4,7-14H2,1-3H3,(H,29,32)/t15-,16+,24+,25-"	""	""	""
"5831"	"compound 43 [PMID: 21173551]"	""	"Synthetic organic"	""	""	""	""	"178102456"	"24776341"	""	""	"CHEMBL379761"	""	""	""	""	"3-(4-chlorophenyl)-1-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea"	""	"compound 43 [PMID:16697190]|compound 43 [PMID:23160941]|pyrazolone, 1"	"O=C(Nc1c(C(C)C)n(n(c1=O)c1ccccc1)C)Nc1ccc(cc1)Cl"	"PAEBEUZTAPIOIO-UHFFFAOYSA-N"	"InChI=1S/C20H21ClN4O2/c1-13(2)18-17(23-20(27)22-15-11-9-14(21)10-12-15)19(26)25(24(18)3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,22,23,27)"	""	""	""
"9492"	"compound 43 [PMID: 26751273]"	""	"Synthetic organic"	""	""	""	""	"329968432"	"49848557"	""	""	""	""	""	""	""	"3-[2-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propanoic acid"	""	""	"OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C"	"BGAJNPLDJJBRHK-UHFFFAOYSA-N"	"InChI=1S/C21H24ClN5O3S/c1-12(2)30-18-5-4-14(10-16(18)22)20-23-24-21(31-20)27-13(3)15-11-26(9-7-19(28)29)8-6-17(15)25-27/h4-5,10,12H,6-9,11H2,1-3H3,(H,28,29)"	"yes"	""	""
"11548"	"compound 4-3 [PMID: 34027661]"	""	"Synthetic organic"	""	""	""	""	"441604920"	"155925848"	""	""	""	""	""	""	""	"5-Acryloyl-2,3-dihydro-2-(4-fluorophenyl)-1,5-benzothiazepin-4(5H)-one"	""	""	"C=CC(=O)N1C(=O)CC(Sc2c1cccc2)c1ccc(cc1)F"	"DJUQPBPAHPCBBX-UHFFFAOYSA-N"	"InChI=1S/C18H14FNO2S/c1-2-17(21)20-14-5-3-4-6-15(14)23-16(11-18(20)22)12-7-9-13(19)10-8-12/h2-10,16H,1,11H2"	""	""	""
"13359"	"compound 43 [PMID: 34781683]"	""	"Synthetic organic"	""	""	""	""	"496703329"	"146188223"	""	""	""	""	""	""	""	"N'-[[3-[4-anilino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenyl]methyl]-N-methylethane-1,2-diamine"	""	"compound 4 [PMID: 38713486]"	"CNCCNCC1=CC=CC(=C1)C2=NC(C3=C(C)ON=C3C)=C(C)C(NC4=CC=CC=C4)=N2"	"DVIUIRPCVXVFSX-UHFFFAOYSA-N"	"InChI=1S/C26H30N6O/c1-17-24(23-18(2)32-33-19(23)3)30-26(31-25(17)29-22-11-6-5-7-12-22)21-10-8-9-20(15-21)16-28-14-13-27-4/h5-12,15,27-28H,13-14,16H2,1-4H3,(H,29,30,31)"	""	""	""
"14039"	"compound 43 [PMID: 37812884]"	""	"Synthetic organic"	""	""	""	""	"518520666"	"172459656"	""	""	"CHEMBL5420347"	""	""	""	""	"5-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole"	""	""	"C(C)OC1=C(C=CC=C1)S(=O)(=O)N2CC(C2)C3=NC(=NO3)C4=CC=C(C=C4)F"	"MJVGZACAADGCBZ-UHFFFAOYSA-N"	"InChI=1S/C19H18FN3O4S/c1-2-26-16-5-3-4-6-17(16)28(24,25)23-11-14(12-23)19-21-18(22-27-19)13-7-9-15(20)10-8-13/h3-10,14H,2,11-12H2,1H3"	""	""	""
"8761"	"compound 44 [PMID: 19748780]"	""	"Synthetic organic"	""	""	""	""	"252827419"	"16730275"	""	""	"CHEMBL565406"	""	""	""	""	"2-[6-(2-cyclopropylethoxy)-9-(2-hydroxy-2-methylpropyl)-1H-phenanthro[9,10-d]imidazol-2-yl]-5-fluorobenzene-1,3-dicarbonitrile"	""	""	"N#Cc1cc(F)cc(c1c1nc2c([nH]1)c1ccc(cc1c1c2ccc(c1)OCCC1CC1)CC(O)(C)C)C#N"	"PYRKKGOKRMZEIT-UHFFFAOYSA-N"	"InChI=1S/C32H27FN4O2/c1-32(2,38)15-19-5-7-24-26(11-19)27-14-23(39-10-9-18-3-4-18)6-8-25(27)30-29(24)36-31(37-30)28-20(16-34)12-22(33)13-21(28)17-35/h5-8,11-14,18,38H,3-4,9-10,15H2,1-2H3,(H,36,37)"	""	""	""
"11892"	"compound 451 [WO2021252644A1]"	""	"Synthetic organic"	""	""	""	""	"461663447"	"160976956"	""	""	""	""	""	""	""	"(2S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropyl-2-[4-methyl-2-oxo-3-(2,2,2-trifluoroethylamino)pyridin-1-yl]propanamide"	""	""	"Cc1c(NCC(F)(F)F)c(=O)n(cc1)[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N"	"SYZOFRXZMALRGI-JYJNAYRXSA-N"	"InChI=1S/C21H26F3N5O3/c1-12-5-7-29(20(32)17(12)27-11-21(22,23)24)16(8-13-2-3-13)19(31)28-15(10-25)9-14-4-6-26-18(14)30/h5,7,13-16,27H,2-4,6,8-9,11H2,1H3,(H,26,30)(H,28,31)/t14-,15-,16-/m0/s1"	""	""	""
"8809"	"compound 45 [PMID: 8709105]"	""	"Synthetic organic"	""	""	""	""	"252827467"	"10745417"	""	""	"CHEMBL328689"	""	""	""	""	"[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-6-(2-pyridin-2-ylethylcarbamoyloxy)-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate"	""	""	"C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)OC(=O)NCCc1ccccn1)O"	"PSLUFJFHTBIXMW-WYEYVKMPSA-N"	"InChI=1S/C30H42N2O8/c1-8-27(5)17-21(35)30(37)28(6)20(34)12-14-26(3,4)23(28)22(24(38-18(2)33)29(30,7)40-27)39-25(36)32-16-13-19-11-9-10-15-31-19/h8-11,15,20,22-24,34,37H,1,12-14,16-17H2,2-7H3,(H,32,36)/t20-,22-,23-,24-,27-,28-,29+,30-/m0/s1"	""	""	""
"9883"	"compound 46c [PMID: 29350534]"	""	"Synthetic organic"	""	""	""	""	"363894177"	"133081963"	""	""	""	""	""	""	""	""	""	""	"O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2"	"QPAGOTNPJABYCP-FITNPZAZSA-N"	"InChI=1S/C28H38N4O/c1-2-8-24-20-31-26(19-23(24)7-1)21-32(16-4-3-14-29-25-12-17-33-18-13-25)27-11-5-9-22-10-6-15-30-28(22)27/h1-4,6-8,10,15,25-27,29,31H,5,9,11-14,16-21H2/b4-3+/t26-,27+/m1/s1"	""	""	""
"8355"	"compound 46 [PMID: 16451062]"	""	"Synthetic organic"	""	""	""	""	"252166567"	"9916282"	""	""	"CHEMBL201307"	""	""	""	""	"N-(3-fluorophenyl)-2-[2-[[7-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide"	""	""	"OCC1CCN(CC1)CCCOc1cc2ncnc(c2cc1OC)Nc1ncc(s1)CC(=O)Nc1cccc(c1)F"	"QNJAKUMXJFWQOG-UHFFFAOYSA-N"	"InChI=1S/C29H33FN6O4S/c1-39-25-14-23-24(15-26(25)40-11-3-8-36-9-6-19(17-37)7-10-36)32-18-33-28(23)35-29-31-16-22(41-29)13-27(38)34-21-5-2-4-20(30)12-21/h2,4-5,12,14-16,18-19,37H,3,6-11,13,17H2,1H3,(H,34,38)(H,31,32,33,35)"	""	""	""
"11235"	"compound 46 [PMID: 25268943]"	""	"Synthetic organic"	""	""	""	""	"434122295"	"101882819"	""	""	"CHEMBL3361425"	""	""	""	""	"4-anilino-1-benzyl-N-[2-(diaminomethylideneamino)ethyl]piperidine-4-carboxamide"	""	""	"NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1"	"SCPYAGLHLAAYFP-UHFFFAOYSA-N"	"InChI=1S/C22H30N6O/c23-21(24)26-14-13-25-20(29)22(27-19-9-5-2-6-10-19)11-15-28(16-12-22)17-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,25,29)(H4,23,24,26)"	""	""	""
"14381"	"compound 46 [PMID: 41521555]"	""	"Synthetic organic"	""	""	""	""	"523352173"	"177849412"	""	""	""	""	""	""	""	"8-methyl-1'-[[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-7-(2-methyl-4-pyridinyl)spiro[3,4-dihydrochromene-2,4'-piperidine]"	""	"A1CLP"	"CC1=C2OC3(CCN(CC4=CC=CC(N5CCN(C)CC5)=N4)CC3)CCC2=CC=C1C6=CC=NC(C)=C6"	"WVJWVSWBFWSOIU-UHFFFAOYSA-N"	"InChI=1S/C31H39N5O/c1-23-21-26(10-14-32-23)28-8-7-25-9-11-31(37-30(25)24(28)2)12-15-35(16-13-31)22-27-5-4-6-29(33-27)36-19-17-34(3)18-20-36/h4-8,10,14,21H,9,11-13,15-20,22H2,1-3H3"	""	""	""
"3197"	"compound 47 [PMID: 18800762]"	""	"Synthetic organic"	""	""	""	""	"135649650"	"25023895"	""	""	"CHEMBL495315"	""	""	""	""	"[1,3-bis(2,4-dichlorophenyl)-2-phosphonopropan-2-yl]phosphonic acid"	""	"bisphosphonate, 47"	"Clc1ccc(c(c1)Cl)CC(P(=O)(O)O)(P(=O)(O)O)Cc1ccc(cc1Cl)Cl"	"HOUGVWVFZPBNCB-UHFFFAOYSA-N"	"InChI=1S/C15H14Cl4O6P2/c16-11-3-1-9(13(18)5-11)7-15(26(20,21)22,27(23,24)25)8-10-2-4-12(17)6-14(10)19/h1-6H,7-8H2,(H2,20,21,22)(H2,23,24,25)"	""	""	""
"6406"	"compound 47 [PMID: 21295468]"	""	"Synthetic organic"	""	""	""	""	"178103022"	"51003564"	""	""	"CHEMBL1681799"	""	""	""	""	"4-methyl-7-(phenoxymethyl)-2H,3H,4H-pyrido[3,2-b][1,4]oxazine"	""	""	"CN1CCOc2c1ncc(c2)COc1ccccc1"	"XAGOQHLVLYAAMO-UHFFFAOYSA-N"	"InChI=1S/C15H16N2O2/c1-17-7-8-18-14-9-12(10-16-15(14)17)11-19-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3"	""	""	""
"9646"	"compound 47 [PMID: 28737909]"	""	"Synthetic organic"	""	""	""	""	"340590276"	"129320519"	""	""	""	""	""	""	""	"2-Amino-4-(4-hydroxymethyl)phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile"	""	""	"OCc1ccc(cc1)c1nc(N)nc2c1c(C#N)c[nH]2"	"BJQSJIPGTMBHKF-UHFFFAOYSA-N"	"InChI=1S/C14H11N5O/c15-5-10-6-17-13-11(10)12(18-14(16)19-13)9-3-1-8(7-20)2-4-9/h1-4,6,20H,7H2,(H3,16,17,18,19)"	"yes"	""	""
"12017"	"compound 47 [PMID: 35640059]"	""	"Synthetic organic"	""	""	""	""	"464244158"	"138670561"	""	""	""	""	""	""	""	"4-[[[2-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl]amino]methyl]benzoic acid"	""	""	"O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2"	"WXDKVCQSVUOFSK-UHFFFAOYSA-N"	"InChI=1S/C23H20FNO4S/c24-17-7-3-14(4-8-17)11-19-21(18-9-10-29-13-20(18)30-19)22(26)25-12-15-1-5-16(6-2-15)23(27)28/h1-8H,9-13H2,(H,25,26)(H,27,28)"	""	""	""
"5531"	"compound 48/80"	""	"Synthetic organic"	""	""	""	""	"178102173"	"2855"	""	""	""	""	""	""	""	"2-[4-methoxy-3,5-bis[[2-methoxy-5-(2-methylaminoethyl)phenyl]methyl]phenyl]-N-methylethanamine"	""	""	"CNCCc1cc(Cc2cc(CCNC)ccc2OC)c(c(c1)Cc1cc(CCNC)ccc1OC)OC"	"DXEVTBAWIGXNAW-UHFFFAOYSA-N"	"InChI=1S/C32H45N3O3/c1-33-14-11-23-7-9-30(36-4)26(17-23)21-28-19-25(13-16-35-3)20-29(32(28)38-6)22-27-18-24(12-15-34-2)8-10-31(27)37-5/h7-10,17-20,33-35H,11-16,21-22H2,1-6H3"	"yes"	""	""
"6320"	"compound 48 [PMID: 22364337]"	""	"Synthetic organic"	""	""	""	""	"178102938"	"25002940"	""	""	"CHEMBL2029821"	""	""	""	""	"1-butyl-4-{3-fluoro-4-[(2-methylpyridin-4-yl)oxy]phenyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile"	""	""	"CCCCn1ccc(c(c1=O)C#N)c1ccc(c(c1)F)Oc1ccnc(c1)C"	"IPTWXMISVLTMAV-UHFFFAOYSA-N"	"InChI=1S/C22H20FN3O2/c1-3-4-10-26-11-8-18(19(14-24)22(26)27)16-5-6-21(20(23)13-16)28-17-7-9-25-15(2)12-17/h5-9,11-13H,3-4,10H2,1-2H3"	""	""	""
"8485"	"compound 48 [PMID: 25815140]"	""	"Synthetic organic"	""	""	""	""	"252166693"	"59460354"	""	""	""	""	""	""	""	"(2R,3R,4S,5R)-2-[6-amino-8-[(4-phenylphenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	""	""	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(NCc2ccc(cc2)c2ccccc2)nc2c1ncnc2N"	"YJLIKUSWRSEPSM-WGQQHEPDSA-N"	"InChI=1S/C23H24N6O4/c24-20-17-21(27-12-26-20)29(22-19(32)18(31)16(11-30)33-22)23(28-17)25-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,12,16,18-19,22,30-32H,10-11H2,(H,25,28)(H2,24,26,27)/t16-,18-,19-,22-/m1/s1"	""	""	""
"10418"	"compound 49c [PMID: 29074775]"	""	"Synthetic organic"	""	""	""	""	"385612178"	"71521073"	""	""	"CHEMBL2334045"	""	""	""	""	"N-[(2S,3R)-3-Hydroxy-1-phenyl-4-[[(1R)-1-phenylethyl]amino]butan-2-yl]-4-(4-methylpiperazine-1-carbonyl)benzamide"	""	""	"CN1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N[C@H]([C@@H](CN[C@@H](c1ccccc1)C)O)Cc1ccccc1"	"NCNJHAHPOUUEQX-LDVROUIZSA-N"	"InChI=1S/C31H38N4O3/c1-23(25-11-7-4-8-12-25)32-22-29(36)28(21-24-9-5-3-6-10-24)33-30(37)26-13-15-27(16-14-26)31(38)35-19-17-34(2)18-20-35/h3-16,23,28-29,32,36H,17-22H2,1-2H3,(H,33,37)/t23-,28+,29-/m1/s1"	""	"yes"	""
"8992"	"compound 49 [PMID: 24405707]"	""	"Synthetic organic"	""	""	""	""	"310264770"	"117072555"	""	""	""	""	""	""	""	"3-(1-{2-[(2R,5S)-2-[2-(4-tert-butylpiperazin-1-yl)-3-fluorophenyl]-3-(3,3-dimethylbutyl)-4-oxo-1,3-thiazolidin-5-yl]acetyl}piperidin-4-yl)-2,3,4,5,5a,9a-hexahydro-1H-1,3-benzodiazepin-2-one"	""	""	"O=C(N1CCC(CC1)N1CCC2C(NC1=O)C=CC=C2)C[C@@H]1S[C@@H](N(C1=O)CCC(C)(C)C)c1cccc(c1N1CCN(CC1)C(C)(C)C)F"	"UUUGXEGGIAPJQE-MYMUVWEJSA-N"	"InChI=1S/C39H57FN6O3S/c1-38(2,3)17-21-46-35(48)32(50-36(46)29-11-9-12-30(40)34(29)43-22-24-44(25-23-43)39(4,5)6)26-33(47)42-18-15-28(16-19-42)45-20-14-27-10-7-8-13-31(27)41-37(45)49/h7-13,27-28,31-32,36H,14-26H2,1-6H3,(H,41,49)/t27?,31?,32-,36+/m0/s1"	""	""	""
"11144"	"compound 49 [PMID: 30889352]"	""	"Synthetic organic"	""	""	""	""	"434122204"	"154699447"	""	""	""	""	""	""	""	"(R)-(1-(4-((3-(Benzyloxy)phenoxy)methyl)benzyl)pyrrolidin-2-yl)methanol"	""	""	"OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)OCc1ccccc1"	"SPXSEZMVRJLHQG-XMMPIXPASA-N"	"InChI=1S/C26H29NO3/c28-18-24-8-5-15-27(24)17-21-11-13-23(14-12-21)20-30-26-10-4-9-25(16-26)29-19-22-6-2-1-3-7-22/h1-4,6-7,9-14,16,24,28H,5,8,15,17-20H2/t24-/m1/s1"	""	""	""
"12355"	"compound 49 [PMID: 36529947]"	""	"Synthetic organic"	""	""	""	""	"479821146"	"146276619"	""	""	""	""	""	""	""	"2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy]-2-[[4-(2-oxo-1,3-diazinan-1-yl)phenyl]methyl]propanedioic acid"	""	""	"Clc1nc(N)c2c(n1)n(cn2)[C@H]1[C@H](O)[C@@](O)(C#C)[C@@H](COC(C(=O)O)(Cc2ccc(N3C(=O)NCCC3)cc2)C(=O)O)O1"	"ROWSPNRRBJYDCU-IRJNKLFQSA-N"	"InChI=1S/C26H26ClN7O9/c1-2-25(41)15(43-20(17(25)35)34-12-30-16-18(28)31-23(27)32-19(16)34)11-42-26(21(36)37,22(38)39)10-13-4-6-14(7-5-13)33-9-3-8-29-24(33)40/h1,4-7,12,15,17,20,35,41H,3,8-11H2,(H,29,40)(H,36,37)(H,38,39)(H2,28,31,32)/t15-,17+,20-,25-/m1/s1"	"yes"	""	""
"6707"	"compound 4a [Marquart <i>et al.</i>, 1994]"	""	"Synthetic organic"	""	""	""	""	"178103318"	"44275335"	""	""	"CHEMBL277446"	""	""	""	""	"(1R,7S,9aS)-7-decyl-octahydro-1H-quinolizin-1-ol"	""	""	"CCCCCCCCCC[C@H]1CC[C@@H]2N(C1)CCC[C@H]2O"	"ASQOQJYHIYYTEJ-GBESFXJTSA-N"	"InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-11-17-13-14-18-19(21)12-10-15-20(18)16-17/h17-19,21H,2-16H2,1H3/t17-,18-,19+/m0/s1"	""	""	""
"13557"	"Compound 4a [PMID: 17452318]"	""	"Synthetic organic"	""	""	""	""	"500839967"	"853085"	""	""	"CHEMBL393428"	""	""	""	""	"3-methyl-1,2-oxazole-5-carboxylic acid"	""	"3-methyl-5-carboxyl-isoxazole"	"CC1=NOC(=C1)C(=O)O"	"HXIYCKAAQPHZBM-UHFFFAOYSA-N"	"InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)9-6-3/h2H,1H3,(H,7,8)"	""	""	""
"2962"	"compound 4 [Balasubramanian <i>et al.</i>, 1992]"	""	"Synthetic organic"	""	""	""	""	"178100249"	"73755029"	""	""	"CHEMBL1204661"	""	""	""	""	"(6E)-8-[(9Z)-3,6-difluoro-9H-fluoren-9-ylidene]-3,5-dihydroxy-8-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)oct-6-enoate"	""	""	"OC(CC(/C=C/C(=C1c2ccc(cc2c2c1ccc(c2)F)F)c1nnnn1C)O)CC(=O)[O-]"	"FKJZGUOTNGCEHQ-QPJJXVBHSA-M"	"InChI=1S/C23H20F2N4O4/c1-29-23(26-27-28-29)18(7-4-14(30)10-15(31)11-21(32)33)22-16-5-2-12(24)8-19(16)20-9-13(25)3-6-17(20)22/h2-9,14-15,30-31H,10-11H2,1H3,(H,32,33)/p-1/b7-4+"	""	""	""
"6708"	"compound 4b [Marquart <i>et al.</i>, 1994]"	""	"Synthetic organic"	""	""	""	""	"178103319"	"44275353"	""	""	"CHEMBL278521"	""	""	""	""	"(1R,7R,9aS)-7-decyl-octahydro-1H-quinolizin-1-ol"	""	""	"CCCCCCCCCC[C@@H]1CC[C@@H]2N(C1)CCC[C@H]2O"	"ASQOQJYHIYYTEJ-CEXWTWQISA-N"	"InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-11-17-13-14-18-19(21)12-10-15-20(18)16-17/h17-19,21H,2-16H2,1H3/t17-,18+,19-/m1/s1"	""	""	""
"6206"	"compound 4b [PMID: 16099654]"	""	"Synthetic organic"	""	""	""	""	"178102827"	"9923127"	""	""	""	""	""	""	""	"N-(2-ethyltetrazol-5-yl)-9H-xanthene-9-carboxamide"	""	""	"CCn1nnc(n1)NC(=O)C1c2ccccc2Oc2c1cccc2"	"HVTLYEBQNBWUIT-UHFFFAOYSA-N"	"InChI=1S/C17H15N5O2/c1-2-22-20-17(19-21-22)18-16(23)15-11-7-3-5-9-13(11)24-14-10-6-4-8-12(14)15/h3-10,15H,2H2,1H3,(H,18,20,23)"	""	""	""
"7755"	"compound 4b [PMID: 19683441]"	""	"Synthetic organic"	""	""	""	""	"223366088"	"24890862"	""	""	""	""	""	""	""	"1'-({6-[(1E)-(3,4-difluorophenyl)(ethoxyimino)methyl]pyridin-3-yl}methyl)-5-methyl-5,6-dihydro-3H-spiro[furo[3,4-c]pyridine-1,4'-piperidine]-6-one"	""	""	"CCO/N=C(\c1ccc(c(c1)F)F)/c1ccc(cn1)CN1CCC2(CC1)OCc1c2cc(=O)n(c1)C"	"FPPIDMVDDSIXTQ-GKPLWNPISA-N"	"InChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-13-25(34)32(2)16-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26+"	""	""	""
"8614"	"compound 4b [PMID: 20690647]"	""	"Synthetic organic"	""	""	""	""	"252166815"	"25195974"	""	""	"CHEMBL1240873"	""	""	""	""	"benzyl N-[(2S)-1-[[1-[3-(6-amino-2-methoxypurin-9-yl)propylamino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate"	""	"Cbz-Leu-D,L-Abu-CONH-(CH(2))(3)-2-methoxyadenin-9-yl"	"CCC(C(=O)C(=O)NCCCn1cnc2c1nc(OC)nc2N)NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C"	"MBPXUEHDROHPFW-ANYOKISRSA-N"	"InChI=1S/C28H38N8O6/c1-5-19(32-25(38)20(14-17(2)3)33-28(40)42-15-18-10-7-6-8-11-18)22(37)26(39)30-12-9-13-36-16-31-21-23(29)34-27(41-4)35-24(21)36/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H,30,39)(H,32,38)(H,33,40)(H2,29,34,35)/t19?,20-/m0/s1"	""	""	""
"13929"	"compound 4b [PMID: 40259683]"	""	"Synthetic organic"	""	""	""	""	"513757614"	"175670510"	""	""	""	""	""	""	""	"N-(5-Benzyl-thiazol-2-yl)-2-[4-(4-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide"	""	""	"COC1=CC=C(C=C1)[N]2=C(NN=N2)SCC(=O)NC3=NC=C(CC4=CC=CC=C4)S3"	"DDFIUNKOZYAFPD-UHFFFAOYSA-N"	"InChI=1S/C20H19N6O2S2/c1-28-16-9-7-15(8-10-16)26-20(23-24-25-26)29-13-18(27)22-19-21-12-17(30-19)11-14-5-3-2-4-6-14/h2-10,12H,11,13H2,1H3,(H,21,22,27)(H,23,24,25)"	""	""	"yes"
"13022"	"compound 4b [Ramsey <i>et al</i>., 2023]"	""	"Synthetic organic"	""	""	""	""	"485206143"	"169422755"	""	""	""	""	""	""	""	"2-chloro-1-[(2S)-6-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-1-yl]ethan-1-one"	""	""	"COC1=CC=C(C=C1)C2=CC3=C(C=C2)N([C@@H](C)CC3)C(=O)CCl"	"MEZNCQILQOWEHU-ZDUSSCGKSA-N"	"InChI=1S/C19H20ClNO2/c1-13-3-4-16-11-15(14-5-8-17(23-2)9-6-14)7-10-18(16)21(13)19(22)12-20/h5-11,13H,3-4,12H2,1-2H3/t13-/m0/s1"	""	""	""
"3097"	"compound 4 [Brinkman <i>et al</i>., 1996]"	""	"Synthetic organic"	""	""	""	""	"135649693"	"9928892"	""	""	"CHEMBL312125"	""	""	""	""	"{2-[4-(benzyloxy)phenoxy]ethyl}(2-phenylpropyl)amine"	""	""	"CC(c1ccccc1)CNCCOc1ccc(cc1)OCc1ccccc1"	"MDMYMJUIQIOGGF-UHFFFAOYSA-N"	"InChI=1S/C24H27NO2/c1-20(22-10-6-3-7-11-22)18-25-16-17-26-23-12-14-24(15-13-23)27-19-21-8-4-2-5-9-21/h2-15,20,25H,16-19H2,1H3"	""	""	""
"14143"	"compound 4c [PMID: 21571530]"	""	"Synthetic organic"	""	""	""	""	"518520770"	"53358775"	""	""	"CHEMBL2153461"	""	""	""	""	"N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide"	""	""	"FC1=C(C=C(C=C1)C2=CC=C(C=C2)[C@H](C)NC(CC3=CC=C(C=C3)C4=NC5=NC=CC=C5C=C4)=O)C(F)(F)F"	"SSQLYMLUWZAJTK-IBGZPJMESA-N"	"InChI=1S/C31H23F4N3O/c1-19(21-8-10-22(11-9-21)25-12-14-27(32)26(18-25)31(33,34)35)37-29(39)17-20-4-6-23(7-5-20)28-15-13-24-3-2-16-36-30(24)38-28/h2-16,18-19H,17H2,1H3,(H,37,39)/t19-/m0/s1"	""	""	""
"8852"	"compound 4d [PMID: 20655626]"	""	"Synthetic organic"	""	""	""	""	"252827509"	"46945265"	""	""	"CHEMBL1253946"	""	""	""	""	"2-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one"	""	""	"COc1ccc2c(c1)CCC(C2=O)Cc1ccccc1Br"	"GKGZPFKBDIIBHB-UHFFFAOYSA-N"	"InChI=1S/C18H17BrO2/c1-21-15-8-9-16-12(11-15)6-7-14(18(16)20)10-13-4-2-3-5-17(13)19/h2-5,8-9,11,14H,6-7,10H2,1H3"	""	""	""
"7516"	"compound 4d [PMID: 21851057]"	""	"Synthetic organic"	""	""	""	""	"187051818"	"54669868"	""	""	"CHEMBL1828986"	""	""	""	""	"1-[3-(dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethan-1-ol"	""	""	"CCOc1cc(cc(c1)c1c(C)noc1C)C(O)C"	"AONNGYBECNOVTK-UHFFFAOYSA-N"	"InChI=1S/C15H19NO3/c1-5-18-14-7-12(10(3)17)6-13(8-14)15-9(2)16-19-11(15)4/h6-8,10,17H,5H2,1-4H3"	""	""	""
"2969"	"compound 4d [PMID: 2296036]"	""	"Synthetic organic"	""	""	""	""	"135649807"	"44370460"	""	""	"CHEMBL350895"	""	""	""	""	"(4R)-6-{2-[2-ethyl-4-(4-fluorophenyl)-6-phenylpyridin-3-yl]ethyl}-4-hydroxyoxan-2-one"	""	""	"CCc1nc(cc(c1CCC1C[C@@H](O)CC(=O)O1)c1ccc(cc1)F)c1ccccc1"	"PNHBRYIAJCYNDA-VQCQRNETSA-N"	"InChI=1S/C26H26FNO3/c1-2-24-22(13-12-21-14-20(29)15-26(30)31-21)23(17-8-10-19(27)11-9-17)16-25(28-24)18-6-4-3-5-7-18/h3-11,16,20-21,29H,2,12-15H2,1H3/t20-,21?/m1/s1"	""	""	""
"8483"	"compound 4d [PMID: 25489658]"	""	"Synthetic organic"	""	""	""	""	"252166691"	"90170031"	""	""	""	""	""	""	""	"(3-chlorophenyl) 6-(bromomethyl)-2-oxochromene-3-carboxylate"	""	""	"BrCc1ccc2c(c1)cc(c(=O)o2)C(=O)Oc1cccc(c1)Cl"	"RNWNTBMGGUARMR-UHFFFAOYSA-N"	"InChI=1S/C17H10BrClO4/c18-9-10-4-5-15-11(6-10)7-14(17(21)23-15)16(20)22-13-3-1-2-12(19)8-13/h1-8H,9H2"	""	""	""
"13365"	"compound 4d [PMID: 38746883]"	""	"Synthetic organic"	""	""	""	""	"496703335"	"171038088"	""	""	""	""	""	""	""	"N-[(2S)-4,4-dimethyl-1-oxo-1-[[(E,2S)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hex-3-en-2-yl]amino]pentan-2-yl]-4-fluorobenzamide"	""	""	"CC(C[C@@H](C(N[C@@H](C[C@H]1C(NCC1)=O)/C=C/C(C)=O)=O)NC(C2=CC=C(C=C2)F)=O)(C)C"	"MWAJGHGBFDLNSA-MVMNHCDFSA-N"	"InChI=1S/C24H32FN3O4/c1-15(29)5-10-19(13-17-11-12-26-21(17)30)27-23(32)20(14-24(2,3)4)28-22(31)16-6-8-18(25)9-7-16/h5-10,17,19-20H,11-14H2,1-4H3,(H,26,30)(H,27,32)(H,28,31)/b10-5+/t17-,19+,20-/m0/s1"	""	""	""
"12122"	"compound 4e [PMID: 35546685]"	""	"Synthetic organic"	""	""	""	""	"472319244"	"89612265"	""	""	""	""	""	""	""	"1-[5-tert-butyl-2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazol-3-yl]-3-[(1S,4R)-4-[[3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea"	""	"CHF-6297|CHF6297|CHI 91040|CHI91040|p38&alpha; MAPK-IN-5"	"O=C(Nc1cc(C(C)(C)C)nn1c1cn(CCN(C)C)nc1)N[C@H]1CC[C@@H](Oc2ccc3n(c2)c(nn3)N2[C@@H](C)CCCC2)c2c1cccc2"	"PPZSTJQLZOPKBO-LGXAAPQCSA-N"	"InChI=1S/C37H49N11O2/c1-25-11-9-10-18-46(25)36-42-41-33-17-14-27(24-47(33)36)50-31-16-15-30(28-12-7-8-13-29(28)31)39-35(49)40-34-21-32(37(2,3)4)43-48(34)26-22-38-45(23-26)20-19-44(5)6/h7-8,12-14,17,21-25,30-31H,9-11,15-16,18-20H2,1-6H3,(H2,39,40,49)/t25-,30-,31+/m0/s1"	"yes"	""	""
"3090"	"compound 4e [PMID: 7966163]"	""	"Synthetic organic"	""	""	""	""	"135649852"	"44352889"	""	""	"CHEMBL336939"	""	""	""	""	"(6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-4,7-dihydroxy-6-{[(11-phenoxyundecyl)carbamoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid"	""	""	"CC(=O)O[C@@H]([C@@H](Cc1ccccc1)C)C(=C)CCC12OC(C(=O)O)C(C(O1)([C@@H]([C@H]2O)OC(=O)NCCCCCCCCCCCOc1ccccc1)C(=O)O)(O)C(=O)O"	"QOLHWXNSCZGWHK-BWBORTOCSA-N"	"InChI=1S/C43H57NO15/c1-28(33(56-30(3)45)29(2)27-31-19-13-11-14-20-31)23-24-41-34(46)35(43(59-41,39(51)52)42(54,38(49)50)36(58-41)37(47)48)57-40(53)44-25-17-9-7-5-4-6-8-10-18-26-55-32-21-15-12-16-22-32/h11-16,19-22,29,33-36,46,54H,1,4-10,17-18,23-27H2,2-3H3,(H,44,53)(H,47,48)(H,49,50)(H,51,52)/t29-,33-,34-,35-,36?,41?,42?,43?/m1/s1"	""	""	""
"2970"	"compound 4ff [PMID: 1656041]"	""	"Synthetic organic"	""	""	""	""	"135649809"	"44331923"	""	""	"CHEMBL318707"	""	""	""	""	"(4R)-6-[2-(4-fluorophenyl)-4,6-bis(propan-2-yl)phenoxymethyl]-4-hydroxyoxan-2-one"	""	""	"O[C@@H]1CC(COc2c(cc(cc2c2ccc(cc2)F)C(C)C)C(C)C)OC(=O)C1"	"JMEOINPEUMGNEF-FIWHBWSRSA-N"	"InChI=1S/C24H29FO4/c1-14(2)17-9-21(15(3)4)24(22(10-17)16-5-7-18(25)8-6-16)28-13-20-11-19(26)12-23(27)29-20/h5-10,14-15,19-20,26H,11-13H2,1-4H3/t19-,20?/m1/s1"	""	""	""
"11733"	"compound 4f [PMID: 34328319]"	""	"Synthetic organic"	""	""	""	""	"458923768"	"130475870"	""	""	""	""	""	""	""	"2-[3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one"	""	""	"Cc1c(Cl)cc(COC2CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)cc1"	"AKBHYCHPWZPGAH-QGGXVJLZSA-N"	"InChI=1S/C18H21ClN2O4/c1-11-2-3-12(4-15(11)19)9-24-14-7-21(8-14)16(22)13-5-18(6-13)10-25-17(23)20-18/h2-4,13-14H,5-10H2,1H3,(H,20,23)/t13-,18+"	""	""	""
"3077"	"compound 4g [PMID: 17709461]"	""	"Synthetic organic"	""	""	""	""	"135650240"	"44584870"	""	""	"CHEMBL478348"	""	""	""	""	"ethyl 2-[4-(2-{3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl}ethynyl)phenyl]acetate"	""	""	"CCOC(=O)Cc1ccc(cc1)C#CC1(O)CN2CCC1CC2"	"YWKVMGDEOUPQGN-UHFFFAOYSA-N"	"InChI=1S/C19H23NO3/c1-2-23-18(21)13-16-5-3-15(4-6-16)7-10-19(22)14-20-11-8-17(19)9-12-20/h3-6,17,22H,2,8-9,11-14H2,1H3"	""	""	""
"8211"	"compound 4g [PMID: 21316219]"	""	"Synthetic organic"	""	""	""	""	"249565891"	"136188827"	""	""	"CHEMBL1684662"	""	""	""	""	"2-[(2Z)-2-(1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene)indol-6-yl]-1-phenylethanone"	""	""	"O=C(c1ccccc1)Cc1ccc2c(c1)[nH]c(c2)c1n[nH]c2c1nccc2"	"CDVMXMZPDJHSCC-UHFFFAOYSA-N"	"InChI=1S/C22H16N4O/c27-20(15-5-2-1-3-6-15)12-14-8-9-16-13-19(24-18(16)11-14)22-21-17(25-26-22)7-4-10-23-21/h1-11,13,24H,12H2,(H,25,26)"	""	""	""
"9236"	"compound 4g [PMID: 22220592]"	""	"Synthetic organic"	""	""	""	""	"315661311"	"56844240"	""	""	"CHEMBL2024115"	""	""	""	""	"6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine"	""	"Example  XCII  [US20160175314]"	"Nc1nnc(c(n1)c1ccccc1)c1cc(C)nc(c1)C"	"SORFNYWLKDSNNF-UHFFFAOYSA-N"	"InChI=1S/C16H15N5/c1-10-8-13(9-11(2)18-10)15-14(19-16(17)21-20-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,19,21)"	""	""	""
"8626"	"compound 4g [PMID: 22595175]"	""	"Synthetic organic"	""	""	""	""	"252166826"	"66561876"	""	""	"CHEMBL2029556"	""	""	""	""	"3-(4-methoxybenzoyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione"	""	""	"COc1ccc(cc1)C(=O)N1C(=O)OC(C1=O)(C)C"	"ZYRNCIWULACSEK-UHFFFAOYSA-N"	"InChI=1S/C13H13NO5/c1-13(2)11(16)14(12(17)19-13)10(15)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3"	""	""	""
"9198"	"compound 4g [PMID: 2680437]"	""	"Synthetic organic"	""	""	""	""	"340590210"	"121486665"	""	""	""	""	""	""	""	"3-{[1-(2-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-2H,3H-[1,3]oxazolo[4,5-b]pyridin-2-one"	""	""	"O=c1oc2c(n1Cc1nnn(c1)c1ccccc1Cl)nccc2"	"DVUFHXDFLFFOFE-UHFFFAOYSA-N"	"InChI=1S/C15H10ClN5O2/c16-11-4-1-2-5-12(11)21-9-10(18-19-21)8-20-14-13(23-15(20)22)6-3-7-17-14/h1-7,9H,8H2"	"yes"	""	""
"12734"	"compound 4g [PMID: 30893553]"	""	"Synthetic organic"	""	""	""	""	"483123282"	"121293916"	""	""	"CHEMBL4642827"	""	""	""	""	"4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide"	""	""	"O=C(N)C1=CC=C(N2CCC[C@H](NC(C#CC)=O)C2)C3=C1NC(C)=C3C"	"FINWLFMFLDVOFY-AWEZNQCLSA-N"	"InChI=1S/C20H24N4O2/c1-4-6-17(25)23-14-7-5-10-24(11-14)16-9-8-15(20(21)26)19-18(16)12(2)13(3)22-19/h8-9,14,22H,5,7,10-11H2,1-3H3,(H2,21,26)(H,23,25)/t14-/m0/s1"	""	""	""
"2968"	"compound 4i [PMID: 2296036]"	""	"Synthetic organic"	""	""	""	""	"135649808"	"44370459"	""	""	"CHEMBL156695"	""	""	""	""	"(4R)-6-{2-[4-(4-fluorophenyl)-6-phenyl-2-(propan-2-yl)pyridin-3-yl]ethyl}-4-hydroxyoxan-2-one"	""	""	"O[C@@H]1CC(CCc2c(nc(cc2c2ccc(cc2)F)c2ccccc2)C(C)C)OC(=O)C1"	"QVBVQHTXLPNXEY-ZMFCMNQTSA-N"	"InChI=1S/C27H28FNO3/c1-17(2)27-23(13-12-22-14-21(30)15-26(31)32-22)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19/h3-11,16-17,21-22,30H,12-15H2,1-2H3/t21-,22?/m1/s1"	""	""	""
"13555"	"compound 4k [PMID: 39232360]"	""	"Synthetic organic"	""	""	""	""	"500839965"	"155688341"	""	""	""	""	""	""	""	"1-(cyclopropylmethyl)-N-(3-fluoropyridin-4-yl)indazole-3-carboxamide"	""	""	"C1(CC1)CN2N=C(C3=CC=CC=C23)C(=O)NC4=C(C=NC=C4)F"	"GWAAPHZRSAMWJU-UHFFFAOYSA-N"	"InChI=1S/C17H15FN4O/c18-13-9-19-8-7-14(13)20-17(23)16-12-3-1-2-4-15(12)22(21-16)10-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,19,20,23)"	""	""	""
"8628"	"compound 4 [PMID: 12408711]"	""	"Synthetic organic"	""	""	""	""	"252166828"	"5327304"	""	""	"CHEMBL358725"	""	""	""	""	"5-[[5-[[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl]pyridin-2-yl]methylsulfamoyl]-2-hydroxybenzoic acid"	""	""	"O=C[C@@H](NC(=O)c1ccc(nc1)CNS(=O)(=O)c1cccc(c1)C(=O)O)CC(=O)O"	"MENAYYMPBRSAAE-AWEZNQCLSA-N"	"InChI=1S/C18H17N3O8S/c22-10-14(7-16(23)24)21-17(25)12-4-5-13(19-8-12)9-20-30(28,29)15-3-1-2-11(6-15)18(26)27/h1-6,8,10,14,20H,7,9H2,(H,21,25)(H,23,24)(H,26,27)/t14-/m0/s1"	""	""	""
"8832"	"compound 4 [PMID: 16495056]"	""	"Synthetic organic"	""	""	""	""	"252827489"	"11641076"	""	""	"CHEMBL208528"	""	""	""	""	"4-[4-[hydroxy-di(phenyl)methyl]piperidin-1-yl]-1-(4-propylphenyl)butan-1-one"	""	""	"CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O"	"PBIBEWTURATALQ-UHFFFAOYSA-N"	"InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3"	""	""	""
"6545"	"compound 4 [PMID: 18163548]"	""	"Synthetic organic"	""	""	""	""	"178103159"	"449051"	""	""	"CHEMBL252937"	""	""	""	""	"(2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide"	""	""	"OC[C@@H](C(=O)NCc1ccc(cc1)C(=N)N)NC(=O)[C@H](NS(=O)(=O)Cc1ccccc1)CO"	"ZNOKJHWJKULOGM-ZWKOTPCHSA-N"	"InChI=1S/C21H27N5O6S/c22-19(23)16-8-6-14(7-9-16)10-24-20(29)17(11-27)25-21(30)18(12-28)26-33(31,32)13-15-4-2-1-3-5-15/h1-9,17-18,26-28H,10-13H2,(H3,22,23)(H,24,29)(H,25,30)/t17-,18+/m0/s1"	""	""	""
"3080"	"compound 4 [PMID: 18754614]"	""	"Synthetic organic"	""	""	""	""	"135649728"	"25108105"	""	""	"CHEMBL459927"	""	""	""	""	"3-[4-(thiophen-2-yl)phenyl]-octahydropyrido[2,1-c]morpholin-3-ol"	""	""	"OC1(OCC2N(C1)CCCC2)c1ccc(cc1)c1cccs1"	"DXCCBGQUDIVOAH-UHFFFAOYSA-N"	"InChI=1S/C18H21NO2S/c20-18(13-19-10-2-1-4-16(19)12-21-18)15-8-6-14(7-9-15)17-5-3-11-22-17/h3,5-9,11,16,20H,1-2,4,10,12-13H2"	""	""	""
"8623"	"compound 4 [PMID: 19954973]"	""	"Synthetic organic"	""	""	""	""	"252166824"	"10286113"	""	""	"CHEMBL589645"	""	""	""	""	"(2S)-2-(2-aminoethoxy)-3-(1-phenylimidazol-4-yl)propanoic acid"	""	""	"NCCO[C@H](C(=O)O)Cc1ncn(c1)c1ccccc1"	"LVCATUGNENEDGZ-ZDUSSCGKSA-N"	"InChI=1S/C14H17N3O3/c15-6-7-20-13(14(18)19)8-11-9-17(10-16-11)12-4-2-1-3-5-12/h1-5,9-10,13H,6-8,15H2,(H,18,19)/t13-/m0/s1"	""	""	""
"6224"	"compound 4 [PMID: 21105727]"	""	"Synthetic organic"	""	""	""	""	"178102845"	"49858118"	""	""	"CHEMBL1630807"	""	""	""	""	"(6E)-6-(hydroxyimino)-N-(4-methoxyphenyl)-2-oxatricyclo[5.4.0.0^{3,5}]undeca-1(11),7,9-triene-3-carboxamide"	""	""	"O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)OC"	"VRGVOWFKLSZRDR-SILNSSARSA-N"	"InChI=1S/C18H16N2O4/c1-23-12-8-6-11(7-9-12)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)24-18/h2-9,14,22H,10H2,1H3,(H,19,21)/b20-16-"	""	""	""
"6712"	"compound 4 [PMID: 22533316]"	""	"Synthetic organic"	""	""	""	""	"178103323"	"22314173"	""	""	"CHEMBL516921"	""	""	""	""	"4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-methyl-N-prop-2-enylbutan-1-amine"	""	""	"C=CCN(CCCCOc1ccc2c(c1)snc2c1ccc(cc1)Br)C"	"PDHRIPJKNGUCJP-UHFFFAOYSA-N"	"InChI=1S/C21H23BrN2OS/c1-3-12-24(2)13-4-5-14-25-18-10-11-19-20(15-18)26-23-21(19)16-6-8-17(22)9-7-16/h3,6-11,15H,1,4-5,12-14H2,2H3"	""	""	""
"5905"	"compound 4 [PMID: 22984835]"	""	"Synthetic organic"	""	""	""	""	"178102528"	"44126037"	""	""	"CHEMBL2172277"	""	""	""	""	"(4S)-4-({5-[1-(ethoxycarbonyl)cyclobutoxy]-1-phenyl-1H-pyrazol-3-yl}formamido)-5-[4-(ethoxycarbonyl)piperazin-1-yl]-5-oxopentanoic acid"	""	""	"CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc(n(n1)c1ccccc1)OC1(CCC1)C(=O)OCC)CCC(=O)O"	"HPSHQEAEJMOGDO-NRFANRHFSA-N"	"InChI=1S/C29H37N5O9/c1-3-41-27(39)29(13-8-14-29)43-23-19-22(31-34(23)20-9-6-5-7-10-20)25(37)30-21(11-12-24(35)36)26(38)32-15-17-33(18-16-32)28(40)42-4-2/h5-7,9-10,19,21H,3-4,8,11-18H2,1-2H3,(H,30,37)(H,35,36)/t21-/m0/s1"	""	""	""
"6148"	"compound 4 [PMID: 23083103]"	""	"Synthetic organic"	""	""	""	""	"178102769"	"73755176"	""	""	""	""	""	""	""	"[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-[[[[(3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-hydroxyphosphoryl]-chloromethyl]phosphinic acid"	""	""	"O[C@H]1C(COP(=O)(OP(=O)(C(P(=O)(OP(=O)(OC[C@H]2O[C@H](C([C@H]2O)O)n2cnc3c2ncnc3N)S)O)Cl)O)S)O[C@H]([C@H]1O)n1cnc2c1ncnc2N"	"SQXLFBVOQBYLCG-BUWSHSPFSA-N"	"InChI=1S/C21H29ClN10O16P4S2/c22-21(49(37,38)47-51(41,53)43-1-7-11(33)13(35)19(45-7)31-5-29-9-15(23)25-3-27-17(9)31)50(39,40)48-52(42,54)44-2-8-12(34)14(36)20(46-8)32-6-30-10-16(24)26-4-28-18(10)32/h3-8,11-14,19-21,33-36H,1-2H2,(H,37,38)(H,39,40)(H,41,53)(H,42,54)(H2,23,25,27)(H2,24,26,28)/t7-,8?,11+,12+,13?,14+,19-,20-,21?,51?,52?/m1/s1"	""	""	""
"8941"	"compound 4 [PMID: 24432870]"	""	"Synthetic organic"	""	""	""	""	"310264722"	"68181876"	""	""	"CHEMBL3128046"	""	""	""	""	"4-[3-(4-amino-1,3,5-triazin-2-yl)-2-methylbenzimidazol-5-yl]-2-methylbut-3-yne-1,2-diol"	""	""	"OCC(C#Cc1ccc2c(c1)n(c1ncnc(n1)N)c(n2)C)(O)C"	"XFZMSTKVAOPBGR-UHFFFAOYSA-N"	"InChI=1S/C16H16N6O2/c1-10-20-12-4-3-11(5-6-16(2,24)8-23)7-13(12)22(10)15-19-9-18-14(17)21-15/h3-4,7,9,23-24H,8H2,1-2H3,(H2,17,18,19,21)"	""	""	""
"8384"	"compound 4 [PMID: 25259874]"	""	"Synthetic organic"	""	""	""	""	"252166596"	"91827355"	""	""	""	""	""	""	""	"(2S)-5-(diaminomethylideneamino)-2-[[2-(2,2-diphenylethylsulfanyl)acetyl]amino]pentanoic acid"	""	""	"NC(=N)NCCC[C@@H](C(=O)O)NC(=O)CSCC(c1ccccc1)c1ccccc1"	"OVJFQPIFXZBDKN-IBGZPJMESA-N"	"InChI=1S/C22H28N4O3S/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25)/t19-/m0/s1"	""	""	""
"8733"	"compound 4 [PMID: 26191369]"	""	"Synthetic organic"	""	""	""	""	"252827391"	"86764579"	""	""	""	""	""	""	""	"N-[5-[[(3-fluorophenyl)carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide"	""	""	"O=C(Nc1cccc(c1)F)NCc1ccc(c(c1)NC(=O)c1cnc2n1cccc2)C"	"ZPVUIOVIUFJGHO-UHFFFAOYSA-N"	"InChI=1S/C23H20FN5O2/c1-15-8-9-16(13-26-23(31)27-18-6-4-5-17(24)12-18)11-19(15)28-22(30)20-14-25-21-7-2-3-10-29(20)21/h2-12,14H,13H2,1H3,(H,28,30)(H2,26,27,31)"	""	""	""
"8734"	"compound 4 [PMID: 26218264]"	""	"Synthetic organic"	""	""	""	""	"252827392"	"91826683"	""	""	""	""	""	""	""	"(2S)-2-amino-N-(6-aminopyridin-2-yl)propanamide"	""	""	"O=C([C@@H](N)C)Nc1cccc(n1)N"	"LRIKRUHIPRIMEM-YFKPBYRVSA-N"	"InChI=1S/C8H12N4O/c1-5(9)8(13)12-7-4-2-3-6(10)11-7/h2-5H,9H2,1H3,(H3,10,11,12,13)/t5-/m0/s1"	""	""	""
"9148"	"compound 4 [PMID: 27074625]"	""	"Synthetic organic"	""	""	""	""	"315661233"	"137076846"	""	""	""	""	""	""	""	"3-fluorophenoxymethyl]phenyl}-3-methylphenoxy)ethoxy]ethyl}amino)-2H-1,3-benzodiazol-4-yl](hydroxy)amino}oxidanyl"	""	""	"OC(=O)CCc1ccc(cc1F)OCc1cccc(c1)c1ccc(cc1C)OCCOCCNc1ccc(c2=NCN=c12)N(O)[O]"	"BNXVSBVQPRGKJS-UHFFFAOYSA-N"	"InChI=1S/C34H34FN4O7/c1-22-17-26(45-16-15-44-14-13-36-30-10-11-31(39(42)43)34-33(30)37-21-38-34)8-9-28(22)25-4-2-3-23(18-25)20-46-27-7-5-24(29(35)19-27)6-12-32(40)41/h2-5,7-11,17-19,36,42H,6,12-16,20-21H2,1H3,(H,40,41)"	""	""	""
"11460"	"compound 4 [PMID: 30824200]"	""	"Synthetic organic"	""	""	""	""	"440816829"	"155817523"	""	""	""	""	""	""	""	"N-[(E)-[(7-ethyl-5-hydroxy-1H-indol-3-yl)methylidene]amino]-N'-[2-(4-methylphenyl)ethyl]guanidine"	""	""	"CCc1cc(O)cc2c1[nH]cc2/C=N/NC(=N)NCCc1ccc(cc1)C"	"FEOVKCUPOVFERI-DHRITJCHSA-N"	"InChI=1S/C21H25N5O/c1-3-16-10-18(27)11-19-17(12-24-20(16)19)13-25-26-21(22)23-9-8-15-6-4-14(2)5-7-15/h4-7,10-13,24,27H,3,8-9H2,1-2H3,(H3,22,23,26)/b25-13+"	""	""	""
"11225"	"compound 4 [PMID: 32677155]"	""	"Synthetic organic"	""	""	""	""	"434122285"	"154699464"	""	""	""	""	""	""	""	""	""	"[<sup>18</sup>F]4"	"FCCOc1cccc(c1F)c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(c1=O)C[C@H](N1CCCC1=O)c1ccccc1"	"YNSHZGLASDJCCG-SANMLTNESA-N"	"InChI=1S/C33H29F6N3O4/c1-20-29(22-10-5-13-27(30(22)36)46-17-15-34)31(44)42(19-26(21-8-3-2-4-9-21)40-16-7-14-28(40)43)32(45)41(20)18-23-24(33(37,38)39)11-6-12-25(23)35/h2-6,8-13,26H,7,14-19H2,1H3/t26-/m0/s1"	""	""	""
"11408"	"compound 4 [PMID: 33531496]"	""	"Synthetic organic"	""	""	""	""	"440816777"	"155817515"	""	""	""	""	""	""	""	"3-amino-N-(naphthalen-1-yl)-5-(trifluoromethyl)benzamide"	""	""	"Nc1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc2c1cccc2"	"XUMZHCJVSWBFGZ-UHFFFAOYSA-N"	"InChI=1S/C18H13F3N2O/c19-18(20,21)13-8-12(9-14(22)10-13)17(24)23-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H,22H2,(H,23,24)"	""	""	""
"13528"	"compound 4 [PMID: 39046805]"	""	"Natural product"	""	""	""	""	"500839938"	"85243537"	""	""	""	""	""	""	""	"(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-[4-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone"	""	""	"COC1=C(C(=O)C2CC=C(CCC=C(C)C)CC2C3=CC=CC=C3)C(O)=C(C)C(O)=C1C"	"NDZMOXYPYAVMQI-UHFFFAOYSA-N"	"InChI=1S/C28H34O4/c1-17(2)10-9-11-20-14-15-22(23(16-20)21-12-7-6-8-13-21)27(31)24-26(30)18(3)25(29)19(4)28(24)32-5/h6-8,10,12-14,22-23,29-30H,9,11,15-16H2,1-5H3"	""	""	""
"3129"	"compound 4 [PMID: 8576905]"	""	"Synthetic organic"	""	""	""	""	"135649830"	"56947060"	""	""	"CHEMBL1205865"	""	""	""	""	"(5E,9E)-6,10,14-trimethyl-1-phosphonatopentadeca-5,9,13-triene-1-sulfonate"	""	""	"C/C(=C\CCCC(S(=O)(=O)[O-])P(=O)([O-])[O-])/CC/C=C(/CCC=C(C)C)\C"	"GAGCDEGBGYUQJJ-QKXOVSGLSA-K"	"InChI=1S/C18H33O6PS/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(25(19,20)21)26(22,23)24/h9-10,13,18H,5-8,11-12,14H2,1-4H3,(H2,19,20,21)(H,22,23,24)/p-3/b16-10+,17-13+"	""	""	""
"3094"	"compound 4 [PMID: 8709131]"	""	"Synthetic organic"	""	""	""	""	"135649727"	"9795241"	""	""	"CHEMBL319077"	""	""	""	""	"3-(4-phenylphenyl)-1-azabicyclo[2.2.2]octane"	""	""	"c1ccc(cc1)c1ccc(cc1)C1CN2CCC1CC2"	"ONKAPNPOBBUQAF-UHFFFAOYSA-N"	"InChI=1S/C19H21N/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)19-14-20-12-10-18(19)11-13-20/h1-9,18-19H,10-14H2"	""	""	""
"6721"	"compound 4 [PMID: 9003518]"	""	"Synthetic organic"	""	""	""	""	"178103332"	"73755233"	""	""	""	""	""	""	""	"2,2-dimethyl-3-[(3E,11E)-3,7,12-trimethyl-15-[(4-methylpent-3-en-1-yl)sulfanyl]pentadeca-3,7,11-trien-1-yl]oxirane"	""	""	"C/C(=C\CCC=C(CC/C=C(/CCC1OC1(C)C)\C)C)/CCCSCCC=C(C)C"	"SFOVLQYHQCMFTD-VLUDVKJZSA-N"	"InChI=1S/C28H48OS/c1-23(2)13-11-21-30-22-12-18-25(4)15-9-8-14-24(3)16-10-17-26(5)19-20-27-28(6,7)29-27/h13-15,17,27H,8-12,16,18-22H2,1-7H3/b24-14?,25-15+,26-17+"	""	""	""
"3019"	"compound 4p [PMID: 1895299]"	""	"Synthetic organic"	""	""	""	""	"135649743"	"56947022"	""	""	""	""	""	""	""	"(3R)-4-{[(E)-2-[5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-(propan-2-yl)pyridin-3-yl]ethenyl]phosphinato}-3-hydroxybutanoate"	""	""	"CCc1c(c2ccc(cc2)F)c(/C=C/P(=O)(C[C@@H](CC(=O)[O-])O)[O-])c(nc1c1ccccc1)C(C)C"	"LPNRUMVKXCLEBE-JXVRESAISA-L"	"InChI=1S/C28H31FNO5P/c1-4-23-26(19-10-12-21(29)13-11-19)24(14-15-36(34,35)17-22(31)16-25(32)33)27(18(2)3)30-28(23)20-8-6-5-7-9-20/h5-15,18,22,31H,4,16-17H2,1-3H3,(H,32,33)(H,34,35)/p-2/b15-14+/t22-/m1/s1"	""	""	""
"3108"	"compound 4q [PMID: 7650673]"	""	"Synthetic organic"	""	""	""	""	"135649788"	"10411224"	""	""	"CHEMBL15929"	""	""	""	""	"4-{[3-({[(2E)-6,6-dimethylhept-2-en-4-yn-1-yl](ethyl)amino}methyl)phenoxymethyl]dimethylsilyl}benzonitrile"	""	""	"CCN(Cc1cccc(c1)OC[Si](c1ccc(cc1)C#N)(C)C)C/C=C/C#CC(C)(C)C"	"LIDUGWDLSDKCLM-CSKARUKUSA-N"	"InChI=1S/C28H36N2OSi/c1-7-30(19-10-8-9-18-28(2,3)4)22-25-12-11-13-26(20-25)31-23-32(5,6)27-16-14-24(21-29)15-17-27/h8,10-17,20H,7,19,22-23H2,1-6H3/b10-8+"	""	""	""
"2967"	"compound 4rr [PMID: 1656041]"	""	"Synthetic organic"	""	""	""	""	"135649810"	"91623350"	""	""	""	""	""	""	""	"(4R,6S)-6-[[2-[chloro(cyclohexyl)methyl]-4,6-dimethylphenoxy]methyl]-4-hydroxyoxan-2-one"	""	""	"O[C@@H]1C[C@@H](COc2c(C)cc(cc2C(C2CCCCC2)Cl)C)OC(=O)C1"	"JEIUHLQCZMJKSE-LIHHCBPRSA-N"	"InChI=1S/C21H29ClO4/c1-13-8-14(2)21(25-12-17-10-16(23)11-19(24)26-17)18(9-13)20(22)15-6-4-3-5-7-15/h8-9,15-17,20,23H,3-7,10-12H2,1-2H3/t16-,17+,20?/m1/s1"	""	""	""
"11933"	"compound 4 [WO2022008639A1]"	""	"Synthetic organic"	""	""	""	""	"461663488"	"162679546"	""	""	""	""	""	""	""	"N-{3-[(4S)-2-amino-4-methyl-1-[(2S,4S)-2-methyloxan-4-yl]-6-oxo-1,4,5,6-tetrahydropyrimidin-4-yl]-2-chlorophenyl}-3,5,7-trifluoroadamantane-1-carboxamide"	""	""	"C(=O)(Nc1c(Cl)c(ccc1)[C@]1(C)CC(=O)N(C(=N1)N)[C@@H]1C[C@H](C)OCC1)C12CC3(F)CC(F)(C1)CC(F)(C2)C3"	"ZLWNVCRHCYIPOK-VOMOGABFSA-N"	"InChI=1S/C28H34ClF3N4O3/c1-16-8-17(6-7-39-16)36-20(37)9-24(2,35-23(36)33)18-4-3-5-19(21(18)29)34-22(38)25-10-26(30)13-27(31,11-25)15-28(32,12-25)14-26/h3-5,16-17H,6-15H2,1-2H3,(H2,33,35)(H,34,38)/t16-,17-,24-,25?,26?,27?,28?/m0/s1"	""	"yes"	""
"3008"	"compound 50 [PMID: 18072721]"	""	"Synthetic organic"	""	""	""	""	"135649745"	"44629556"	""	""	"CHEMBL398906"	""	""	""	""	"(3R,5R)-7-[1-(4-fluorophenyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-4-(propan-2-yl)-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoate"	""	"2r4f"	"O[C@@H](C[C@H](CC(=O)[O-])O)CCc1c(C(C)C)c(nn1c1ccc(cc1)F)C(=O)N([C@@H](c1ccccc1)C)C"	"MPDDTAJMJCESGV-CTUHWIOQSA-M"	"InChI=1S/C29H36FN3O5/c1-18(2)27-25(15-14-23(34)16-24(35)17-26(36)37)33(22-12-10-21(30)11-13-22)31-28(27)29(38)32(4)19(3)20-8-6-5-7-9-20/h5-13,18-19,23-24,34-35H,14-17H2,1-4H3,(H,36,37)/p-1/t19-,23-,24-/m1/s1"	""	""	""
"8824"	"compound 50 [PMID: 24313754]"	""	"Synthetic organic"	""	""	""	""	"252827481"	"76317442"	""	""	"CHEMBL3108800"	""	""	""	""	""	""	""	"Cc1nnc2n1nc(c1ccc(c(c1)NS(=O)(=O)C)N1CCOCC1)c1c2cccc1"	"MYFFGZYMLKZBPZ-UHFFFAOYSA-N"	"InChI=1S/C21H22N6O3S/c1-14-22-23-21-17-6-4-3-5-16(17)20(24-27(14)21)15-7-8-19(26-9-11-30-12-10-26)18(13-15)25-31(2,28)29/h3-8,13,25H,9-12H2,1-2H3"	""	""	""
"13992"	"compound 5128535"	""	"Synthetic organic"	""	""	""	""	"518520619"	"5157334"	""	""	"CHEMBL4852965"	""	""	""	""	"2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide"	""	"compound 8535|lead compound I [PMID: 38060818]"	"ClC1=CC=C(C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)C(Cl)=C1"	"LNUTUGZHBGDTOU-UHFFFAOYSA-N"	"InChI=1S/C19H14Cl2N2O3S/c20-13-6-11-17(18(21)12-13)19(24)22-14-7-9-16(10-8-14)27(25,26)23-15-4-2-1-3-5-15/h1-12,23H,(H,22,24)"	""	""	""
"8777"	"compound 51 [Crosignani <i>et al.</i>, 2011]"	""	"Synthetic organic"	""	""	""	""	"252827435"	"49872868"	""	""	"CHEMBL2036213"	""	""	""	""	"N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide"	""	""	"CCC(=O)N(c1cc(F)cc(c1)c1nn[nH]n1)Cc1ccc(cc1)OC(F)(F)F"	"XQIZEBWLPMOVGN-UHFFFAOYSA-N"	"InChI=1S/C18H15F4N5O2/c1-2-16(28)27(10-11-3-5-15(6-4-11)29-18(20,21)22)14-8-12(7-13(19)9-14)17-23-25-26-24-17/h3-9H,2,10H2,1H3,(H,23,24,25,26)"	""	""	""
"9170"	"compound 51 [Mallinger <i>et al</i>., 2016]"	""	"Synthetic organic"	""	""	""	""	"315661253"	"118660867"	""	""	""	""	""	""	""	"[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone"	""	""	"COC1CN(C1)C(=O)c1ccc2c(n1)c(cnc2N)c1ccc(cc1)c1cnn(c1)C"	"OJIQEAIHEGJBFE-UHFFFAOYSA-N"	"InChI=1S/C23H22N6O2/c1-28-11-16(9-26-28)14-3-5-15(6-4-14)19-10-25-22(24)18-7-8-20(27-21(18)19)23(30)29-12-17(13-29)31-2/h3-11,17H,12-13H2,1-2H3,(H2,24,25)"	""	""	""
"3186"	"compound 51 [PMID: 18800762]"	""	"Synthetic organic"	""	""	""	""	"135649702"	"25023896"	""	""	"CHEMBL1162303"	""	""	""	""	"(2-carbamimidamido-1-hydroxy-1-phosphonoethyl)phosphonic acid"	""	"bisphosphonate, 51"	"NC(=N)NCC(P(=O)(O)O)(P(=O)(O)O)O"	"ZZHOMRYFXNLXOZ-UHFFFAOYSA-N"	"InChI=1S/C3H11N3O7P2/c4-2(5)6-1-3(7,14(8,9)10)15(11,12)13/h7H,1H2,(H4,4,5,6)(H2,8,9,10)(H2,11,12,13)"	""	""	""
"8653"	"compound 51 [PMID: 19743866]"	""	"Synthetic organic"	""	""	""	""	"252166853"	"46883596"	""	""	"CHEMBL1089597"	""	""	""	""	"(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-4,4-dimethylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid"	""	"Ac-RLTbaLAR-H"	"NC(=NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)C)CC(C)C)CC(C)(C)C)CC(C)C)NC(=O)C)N"	"VIJSPAIQWVPKQZ-BLECARSGSA-N"	"InChI=1S/C36H68N12O8/c1-19(2)16-25(30(52)43-21(5)28(50)45-24(33(55)56)13-11-15-42-35(39)40)47-32(54)27(18-36(7,8)9)48-31(53)26(17-20(3)4)46-29(51)23(44-22(6)49)12-10-14-41-34(37)38/h19-21,23-27H,10-18H2,1-9H3,(H,43,52)(H,44,49)(H,45,50)(H,46,51)(H,47,54)(H,48,53)(H,55,56)(H4,37,38,41)(H4,39,40,42)/t21-,23-,24-,25-,26-,27-/m0/s1"	""	""	""
"10001"	"compound 52 [PMID: 28541707]"	""	"Synthetic organic"	""	""	""	""	"374883888"	"132220479"	""	""	""	""	""	""	""	""	""	""	"N#Cc1ccc(cc1N1CCN(C(C1=O)(C)C)C(=O)C)c1cc(c2n1ncnc2N)C(F)(F)F"	"ZDXIDBRGTYDHBQ-UHFFFAOYSA-N"	"InChI=1S/C22H20F3N7O2/c1-12(33)31-7-6-30(20(34)21(31,2)3)16-8-13(4-5-14(16)10-26)17-9-15(22(23,24)25)18-19(27)28-11-29-32(17)18/h4-5,8-9,11H,6-7H2,1-3H3,(H2,27,28,29)"	"yes"	""	""
"13913"	"compound 52 [PMID: 32902255]"	""	"Synthetic organic"	""	""	""	""	"513757598"	"136164931"	""	""	"CHEMBL5266734"	""	""	""	""	""	""	"IL-4 inhibitor 4"	"NC1=C(C#N)C(=CC(=N1)C2=CC=C(F)C=C2)C3=CC(O)=C(O)C=C3"	"DWZPPBGRCDPFSS-UHFFFAOYSA-N"	"InChI=1S/C18H12FN3O2/c19-12-4-1-10(2-5-12)15-8-13(14(9-20)18(21)22-15)11-3-6-16(23)17(24)7-11/h1-8,23-24H,(H2,21,22)"	"yes"	""	""
"12412"	"compound 52 [PMID: 36749735]"	""	"Synthetic organic"	""	""	""	""	"479821203"	"167993642"	""	""	""	""	""	""	""	"N-(2-{[2-(Dimethylamino)ethyl](methyl)amino}-5-[6-phenyl-4-(propan-2-ylamino)furo[2,3-d]pyrimidin-5-yl]phenyl)prop-2-enamide"	""	""	"CN(CCN(C)C)C=1C(NC(C=C)=O)=CC(=CC1)C2=C(C3=CC=CC=C3)OC4=C2C(NC(C)C)=NC=N4"	"YGHKTUWZPBGQHE-UHFFFAOYSA-N"	"InChI=1S/C29H34N6O2/c1-7-24(36)33-22-17-21(13-14-23(22)35(6)16-15-34(4)5)25-26-28(32-19(2)3)30-18-31-29(26)37-27(25)20-11-9-8-10-12-20/h7-14,17-19H,1,15-16H2,2-6H3,(H,33,36)(H,30,31,32)"	""	""	""
"5955"	"compound 52 [PMID: 9677190]"	""	"Synthetic organic"	""	""	""	""	"178102578"	"2856"	""	""	"CHEMBL311228"	""	""	""	""	"2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)ethan-1-ol"	""	""	"OCCNc1nc(Nc2cccc(c2)Cl)c2c(n1)n(cn2)C(C)C"	"XZEFMZCNXDQXOZ-UHFFFAOYSA-N"	"InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)"	""	""	""
"8811"	"compound 53 [PMID: 19631533]"	""	"Synthetic organic"	""	""	""	""	"252827469"	"45486504"	""	""	"CHEMBL567470"	""	""	""	""	"7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[3,4-b]pyrazin-2-one"	""	""	"CCCOCCn1c2cc(ncc2nc(c1=O)NCc1cnccn1)c1ccc(nc1)OC"	"HCCNBKFJYUWLEX-UHFFFAOYSA-N"	"InChI=1S/C23H25N7O3/c1-3-9-33-10-8-30-20-11-18(16-4-5-21(32-2)27-12-16)26-15-19(20)29-22(23(30)31)28-14-17-13-24-6-7-25-17/h4-7,11-13,15H,3,8-10,14H2,1-2H3,(H,28,29)"	""	""	""
"6451"	"compound 53 [PMID: 23434029]"	""	"Synthetic organic"	""	""	""	""	"178103067"	"71580550"	""	""	""	""	""	""	""	"N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenyl-1H-imidazole-4-carboxamide"	""	""	"Clc1nccc(n1)NC(=O)c1nc(n(c1C)c1ccccc1)C"	"YCJZWBZJSYLMPB-UHFFFAOYSA-N"	"InChI=1S/C16H14ClN5O/c1-10-14(15(23)20-13-8-9-18-16(17)21-13)19-11(2)22(10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,20,21,23)"	""	""	""
"11960"	"compound 53 [PMID: 33038794]"	""	"Synthetic organic"	""	""	""	""	"464244101"	"137367538"	""	""	""	""	""	""	""	""	""	""	"Clc1c(CN2C(=O)C(c3ccc(cc23)C(=O)NCc2c(cc(cc2F)F)F)(C)C)c(ccc1)F"	"OEBVYNULNKSONR-UHFFFAOYSA-N"	"InChI=1S/C25H19ClF4N2O2/c1-25(2)17-7-6-13(23(33)31-11-15-20(29)9-14(27)10-21(15)30)8-22(17)32(24(25)34)12-16-18(26)4-3-5-19(16)28/h3-10H,11-12H2,1-2H3,(H,31,33)"	""	""	""
"11898"	"compound 54"	""	"Peptide"	""	""	""	""	"461663453"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10016"	"compound 55 [PMID: 29889526]"	""	"Synthetic organic"	""	""	""	""	"375973206"	"134813901"	""	""	""	""	""	""	""	"3-(8-(2-(Trifluoromethyl)pyridin-4-yl)-1,5-naphthyridin-2-yl)benzenesulfonamide"	""	""	"FC(c1nccc(c1)c1ccnc2c1nc(cc2)c1cccc(c1)S(=O)(=O)N)(F)F"	"UNHBOZVTSNPRRO-UHFFFAOYSA-N"	"InChI=1S/C20H13F3N4O2S/c21-20(22,23)18-11-12(6-8-26-18)15-7-9-25-17-5-4-16(27-19(15)17)13-2-1-3-14(10-13)30(24,28)29/h1-11H,(H2,24,28,29)"	""	"yes"	""
"11145"	"compound 55 [PMID: 30889352]"	""	"Synthetic organic"	""	""	""	""	"434122205"	"154699448"	""	""	""	""	""	""	""	"(R)-(1-(4-((3-((4-Chlorobenzyl)oxy)phenoxy)methyl)benzyl)pyrrolidin-2-yl)methanol"	""	""	"OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)OCc1ccc(cc1)Cl"	"YYCORJSTUXRKOM-XMMPIXPASA-N"	"InChI=1S/C26H28ClNO3/c27-23-12-10-22(11-13-23)19-31-26-5-1-4-25(15-26)30-18-21-8-6-20(7-9-21)16-28-14-2-3-24(28)17-29/h1,4-13,15,24,29H,2-3,14,16-19H2/t24-/m1/s1"	""	""	""
"12509"	"compound 56 {PMID: 25583879]"	""	"Synthetic organic"	""	""	""	""	"479821299"	"46218798"	""	""	"CHEMBL2413525"	""	""	""	""	"(3-ethoxy-6-methylpyridin-2-yl)-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone"	""	"SORA1"	"CCOC1=C(N=C(C=C1)C)C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CNC4=NC=C(C=N4)C(F)(F)F"	"MJEJGMUTGRYQJO-YCPHGPKFSA-N"	"InChI=1S/C21H24F3N5O2/c1-3-31-17-5-4-12(2)28-18(17)19(30)29-11-14-6-13(14)7-16(29)10-27-20-25-8-15(9-26-20)21(22,23)24/h4-5,8-9,13-14,16H,3,6-7,10-11H2,1-2H3,(H,25,26,27)/t13-,14+,16+/m1/s1"	""	""	""
"12194"	"compound 56 [PMID: 36136378]"	""	"Synthetic organic"	""	""	""	""	"472319316"	"165368937"	""	""	""	""	""	""	""	"N-(6-Chloro-1-(3-(4-hydroxy-3-((2-oxopyridin-1(2H)-yl)methyl)phenyl)prop-2-yn-1-yl)-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-(p-tolyl)propanamide"	""	""	"Clc1c(c(=O)n(c(=O)n1CC#Cc1cc(c(cc1)O)Cn1c(=O)cccc1)C)NC(=O)CCc1ccc(cc1)C"	"ATSRNJYTNQHJIO-UHFFFAOYSA-N"	"InChI=1S/C30H27ClN4O5/c1-20-8-10-21(11-9-20)13-15-25(37)32-27-28(31)35(30(40)33(2)29(27)39)17-5-6-22-12-14-24(36)23(18-22)19-34-16-4-3-7-26(34)38/h3-4,7-12,14,16,18,36H,13,15,17,19H2,1-2H3,(H,32,37)"	""	""	""
"14529"	"compound 56 [PMID: 42143779]"	""	"Synthetic organic"	""	""	""	""	"528429850"	"178342682"	""	""	""	""	""	""	""	"(E)-3-((1-((3-((5-((3-Acetamidophenyl)carbamoyl)-2-(5-acetylthiophen-2-yl)pyrimidin-4-yl)amino)propyl)amino)-2-nitrovinyl)amino)propanoic Acid"	""	""	"C(C)(=O)NC=1C=C(C=CC1)NC(=O)C=2C(=NC(=NC2)C=3SC(=CC3)C(C)=O)NCCCN/C(=C\[N+](=O)[O-])/NCCC(=O)O"	"ITPOIRGHONOVAB-HZHRSRAPSA-N"	"InChI=1S/C27H30N8O7S/c1-16(36)21-7-8-22(43-21)26-31-14-20(27(40)33-19-6-3-5-18(13-19)32-17(2)37)25(34-26)30-11-4-10-28-23(15-35(41)42)29-12-9-24(38)39/h3,5-8,13-15,28-29H,4,9-12H2,1-2H3,(H,32,37)(H,33,40)(H,38,39)(H,30,31,34)/b23-15+"	"yes"	""	""
"5956"	"compound 56 [PMID: 8568816]"	""	"Synthetic organic"	""	""	""	""	"178102579"	"2857"	""	""	"CHEMBL35820"	""	""	""	""	"N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine"	""	"PD153035 Analog 56"	"CCOc1cc2c(ncnc2cc1OCC)Nc1cccc(c1)Br"	"YXOXHAUUTIOBDA-UHFFFAOYSA-N"	"InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)"	""	""	""
"8771"	"compound 57 [PMID: 16610804]"	""	"Synthetic organic"	""	""	""	""	"252827429"	"11670893"	""	""	"CHEMBL443834"	""	""	""	""	"1-[3-(4-decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid"	""	""	"CCCCCCCCCCOc1ccc(cc1)OCC(=O)Cn1cc(c2c1ccc(c2)C(=O)O)C(=O)OC"	"NXDZVUAKVFVDSL-UHFFFAOYSA-N"	"InChI=1S/C30H37NO7/c1-3-4-5-6-7-8-9-10-17-37-24-12-14-25(15-13-24)38-21-23(32)19-31-20-27(30(35)36-2)26-18-22(29(33)34)11-16-28(26)31/h11-16,18,20H,3-10,17,19,21H2,1-2H3,(H,33,34)"	""	""	""
"6550"	"compound 57 [PMID: 20121197]"	""	"Synthetic organic"	""	""	""	""	"178103164"	"46233650"	""	""	"CHEMBL597557"	""	""	""	""	"2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenylethyl N-(2-{[(2-methylpropyl)amino]methyl}phenyl)carbamate"	""	""	"CC(CNCc1ccccc1NC(=O)OCC(c1ccccc1)Oc1cccc2c1cc(s2)C(=N)N)C"	"QGLTXLFHFVMPJH-UHFFFAOYSA-N"	"InChI=1S/C29H32N4O3S/c1-19(2)16-32-17-21-11-6-7-12-23(21)33-29(34)35-18-25(20-9-4-3-5-10-20)36-24-13-8-14-26-22(24)15-27(37-26)28(30)31/h3-15,19,25,32H,16-18H2,1-2H3,(H3,30,31)(H,33,34)"	""	""	""
"8640"	"compound 57 [PMID: 26155854]"	""	"Synthetic organic"	""	""	""	""	"252166840"	"91827383"	""	""	""	""	""	""	""	"3-methyl-5-(5-methylpyridin-3-yl)-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one"	""	""	"Cc1cncc(c1)c1cnc(c2c1cc(C)c(=O)[nH]2)NC1CCNCC1"	"PAGDGWOISBNVEC-UHFFFAOYSA-N"	"InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)"	""	""	""
"10340"	"compound 58l [PMID: 30843696]"	""	"Synthetic organic"	""	""	""	""	"381745021"	"137553172"	""	""	""	""	""	""	""	"1-(3-Cyano-5-oxo-5,7-dihydrofuro[3,4-b]pyridin-2-yl)-4-methyl-N-((4-methylbenzyl)sulfonyl)piperidine-4-carboxamide"	""	""	"N#Cc1cc2C(=O)OCc2nc1N1CCC(CC1)(C)C(=O)NS(=O)(=O)Cc1ccc(cc1)C"	"UDMPNYKEHCRGIV-UHFFFAOYSA-N"	"InChI=1S/C23H24N4O5S/c1-15-3-5-16(6-4-15)14-33(30,31)26-22(29)23(2)7-9-27(10-8-23)20-17(12-24)11-18-19(25-20)13-32-21(18)28/h3-6,11H,7-10,13-14H2,1-2H3,(H,26,29)"	""	""	""
"5748"	"compound 58 [PMID: 21273063]"	""	"Synthetic organic"	""	""	""	""	"178102374"	"53235534"	""	""	"CHEMBL1771100"	""	""	""	""	"5-chloro-2-{4-[(1R,2S)-2-{2-[(5-methanesulfonylpyridin-2-yl)oxy]ethyl}cyclopropyl]piperidin-1-yl}pyrimidine"	""	""	"Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(cn1)S(=O)(=O)C"	"XFJBGINZIMNZBW-CRAIPNDOSA-N"	"InChI=1S/C20H25ClN4O3S/c1-29(26,27)17-2-3-19(22-13-17)28-9-6-15-10-18(15)14-4-7-25(8-5-14)20-23-11-16(21)12-24-20/h2-3,11-15,18H,4-10H2,1H3/t15-,18-/m1/s1"	""	""	""
"8520"	"compound 58 [PMID: 25037917]"	""	"Synthetic organic"	""	""	""	""	"252166722"	"91827366"	""	""	""	""	""	""	""	"8-[4-(3-chlorophenyl)benzoyl]-3-(pyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane"	""	""	"Clc1cccc(c1)c1ccc(cc1)C(=O)N1C2CCC1CN(C2)c1ncccn1"	"FNHAFYQTHUKPIU-UHFFFAOYSA-N"	"InChI=1S/C23H21ClN4O/c24-19-4-1-3-18(13-19)16-5-7-17(8-6-16)22(29)28-20-9-10-21(28)15-27(14-20)23-25-11-2-12-26-23/h1-8,11-13,20-21H,9-10,14-15H2"	""	""	""
"14210"	"compound 58 [PMID: 40910582]"	""	"Synthetic organic"	""	""	""	""	"521588850"	"176730634"	""	""	""	""	""	""	""	"N-[(6-fluoro-1-methyl-1H-indazol-7-yl)methyl]-1,5-dimethyl-4-{1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-sulfonyl}-1H-pyrrole-2-carboxamide"	""	""	"CN1N=CC2=C1C(CNC(=O)C3=CC(=C(C)N3C)S(=O)(=O)N4CCC5=C(C4)C=NN5)=C(F)C=C2"	"KGOKNBFOEPMZIS-UHFFFAOYSA-N"	"InChI=1S/C22H24FN7O3S/c1-13-20(34(32,33)30-7-6-18-15(12-30)9-25-27-18)8-19(28(13)2)22(31)24-11-16-17(23)5-4-14-10-26-29(3)21(14)16/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,24,31)(H,25,27)"	""	""	""
"11146"	"compound 59 [PMID: 30889352]"	""	"Synthetic organic"	""	""	""	""	"434122206"	"154699449"	""	""	""	""	""	""	""	"(R)-(1-(4-((3-((4-Fluorobenzyl)thio)phenoxy)methyl)benzyl)pyrrolidin-2-yl)methanol"	""	""	"OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)SCc1ccc(cc1)F"	"IOSLINNLJFQMFF-XMMPIXPASA-N"	"InChI=1S/C26H28FNO2S/c27-23-12-10-22(11-13-23)19-31-26-5-1-4-25(15-26)30-18-21-8-6-20(7-9-21)16-28-14-2-3-24(28)17-29/h1,4-13,15,24,29H,2-3,14,16-19H2/t24-/m1/s1"	""	""	""
"2994"	"compound 5ab [PMID: 8246233]"	""	"Synthetic organic"	""	""	""	""	"135649759"	"44392511"	""	""	"CHEMBL331048"	""	""	""	""	"(3R,5S,6E)-7-[2,4-bis(4-fluorophenyl)-5-(propan-2-yl)-1H-imidazol-1-yl]-3,5-dihydroxyhept-6-enoate"	""	""	"O[C@H](C[C@@H](/C=C/n1c(nc(c1C(C)C)c1ccc(cc1)F)c1ccc(cc1)F)O)CC(=O)[O-]"	"TVIKMEWXHYDWEQ-LKWCPCFXSA-M"	"InChI=1S/C25H26F2N2O4/c1-15(2)24-23(16-3-7-18(26)8-4-16)28-25(17-5-9-19(27)10-6-17)29(24)12-11-20(30)13-21(31)14-22(32)33/h3-12,15,20-21,30-31H,13-14H2,1-2H3,(H,32,33)/p-1/b12-11+/t20-,21-/m1/s1"	""	""	""
"8615"	"compound 5a [PMID: 20690647]"	""	"Synthetic organic"	""	""	""	""	"252166816"	"46930721"	""	""	"CHEMBL1240872"	""	""	""	""	"benzyl N-[(2S)-1-[[4-[3-(6-aminopurin-9-yl)propylamino]-3,4-dioxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate"	""	"Cbz-Leu-D,L-Phe-CONH-(CH(2))(3)-adenin-9-yl"	"CC(C[C@@H](C(=O)NC(C(=O)C(=O)NCCCn1cnc2c1ncnc2N)Cc1ccccc1)NC(=O)OCc1ccccc1)C"	"OVLNPOAZKHQAAD-BBMPLOMVSA-N"	"InChI=1S/C32H38N8O5/c1-21(2)16-25(39-32(44)45-18-23-12-7-4-8-13-23)30(42)38-24(17-22-10-5-3-6-11-22)27(41)31(43)34-14-9-15-40-20-37-26-28(33)35-19-36-29(26)40/h3-8,10-13,19-21,24-25H,9,14-18H2,1-2H3,(H,34,43)(H,38,42)(H,39,44)(H2,33,35,36)/t24?,25-/m0/s1"	""	""	""
"9300"	"compound 5a [PMID: 27536893]"	""	"Synthetic organic"	""	""	""	""	"318164819"	"7196946"	""	""	""	""	""	""	""	"2-(4-ethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide"	""	""	"CCOc1ccc(cc1)c1nc(C(=O)N)c2c(n1)n(c(=O)[nH]2)c1ccccc1OC"	"FFKCRLSRMMVTAN-UHFFFAOYSA-N"	"InChI=1S/C21H19N5O4/c1-3-30-13-10-8-12(9-11-13)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)14-6-4-5-7-15(14)29-2/h4-11H,3H2,1-2H3,(H2,22,27)(H,24,28)"	""	""	""
"10433"	"compound 5a [PMID: 31287314]"	""	"Synthetic organic"	""	""	""	""	"385612193"	"10512636"	""	""	""	""	""	""	""	"4-(prop-2-ynylamino)benzenesulfonamide"	""	""	"C#CCNc1ccc(cc1)S(=O)(=O)N"	"HPRYFTLQNXBKDM-UHFFFAOYSA-N"	"InChI=1S/C9H10N2O2S/c1-2-7-11-8-3-5-9(6-4-8)14(10,12)13/h1,3-6,11H,7H2,(H2,10,12,13)"	""	""	""
"14288"	"compound 5a [PMID: 41246830]"	""	"Peptide"	""	""	""	""	"521588928"	"176224398"	""	""	""	""	""	""	""	"benzyl N-[(2R)-1-oxo-1-[[(2R)-3-oxopent-4-en-2-yl]amino]-3-phenylpropan-2-yl]carbamate"	""	""	"C[C@H](C(=O)C=C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2"	"NUIYZIJXWYTVNN-VQIMIIECSA-N"	"InChI=1S/C22H24N2O4/c1-3-20(25)16(2)23-21(26)19(14-17-10-6-4-7-11-17)24-22(27)28-15-18-12-8-5-9-13-18/h3-13,16,19H,1,14-15H2,2H3,(H,23,26)(H,24,27)/t16-,19-/m1/s1"	""	""	""
"1598"	"compound 5b [PMID: 17358052]"	""	"Synthetic organic"	""	""	""	""	"135649832"	"11148966"	""	""	"CHEMBL436301"	""	""	""	""	"5-ethyl-4-oxo-5-phenylfuran-2-carboxylic acid"	""	"ethyl analogue of acifran"	"CCC1(OC(=CC1=O)C(=O)O)c1ccccc1"	"SUHZZFNDVLWPTL-UHFFFAOYSA-N"	"InChI=1S/C13H12O4/c1-2-13(9-6-4-3-5-7-9)11(14)8-10(17-13)12(15)16/h3-8H,2H2,1H3,(H,15,16)"	""	""	""
"8171"	"compound 5b [PMID: 24900464]"	""	"Synthetic organic"	""	""	""	""	"249565851"	"136254272"	""	""	"CHEMBL2062581"	""	""	""	""	""	""	""	"N#Cc1cnn2c1nc(cc2NC1CC1)c1c[nH]c2c1cc(cc2)NC(=O)C"	"UZZGMJZTCZOSGC-UHFFFAOYSA-N"	"InChI=1S/C20H17N7O/c1-11(28)24-14-4-5-17-15(6-14)16(10-22-17)18-7-19(25-13-2-3-13)27-20(26-18)12(8-21)9-23-27/h4-7,9-10,13,22,25H,2-3H2,1H3,(H,24,28)"	""	""	""
"7831"	"compound 5B [PMID: 25349648]"	""	"Synthetic organic"	""	""	""	""	"223366162"	"71078515"	""	""	""	""	""	""	""	"(1r,4r)-4-[(1-{5-[5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]pyridin-2-yl}piperidin-4-yl)oxy]cyclohexane-1-carboxylic acid"	""	""	"OC(=O)[C@@H]1CC[C@H](CC1)OC1CCN(CC1)c1ccc(cn1)c1nc2c([nH]1)ccc(c2)C(F)(F)F"	"MCFBUIIRFZBRCU-RZDIXWSQSA-N"	"InChI=1S/C25H27F3N4O3/c26-25(27,28)17-4-7-20-21(13-17)31-23(30-20)16-3-8-22(29-14-16)32-11-9-19(10-12-32)35-18-5-1-15(2-6-18)24(33)34/h3-4,7-8,13-15,18-19H,1-2,5-6,9-12H2,(H,30,31)(H,33,34)/t15-,18-"	""	""	""
"11471"	"compound 5b [PMID: 25974655]"	""	"Synthetic organic"	""	""	""	""	"440816839"	"122177620"	""	""	"CHEMBL3577296"	""	""	""	""	"7-[(4-chlorophenyl)methyl-[2-(diethylamino)ethyl]amino]-2-oxochromene-3-carboximidamide"	""	""	"CCN(CCN(c1ccc2c(c1)oc(=O)c(c2)C(=N)N)Cc1ccc(cc1)Cl)CC"	"VVYLUODGYRRACW-UHFFFAOYSA-N"	"InChI=1S/C23H27ClN4O2/c1-3-27(4-2)11-12-28(15-16-5-8-18(24)9-6-16)19-10-7-17-13-20(22(25)26)23(29)30-21(17)14-19/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H3,25,26)"	""	""	""
"9835"	"compound 5b [PMID: 29457898]"	""	"Synthetic organic"	""	""	""	""	"363894129"	"133081956"	""	""	""	""	""	""	""	"Benzyl ((((E)-4-((tert-Butyldimethylsilyl)oxy)-3-methylbut-2-en-1-yl)oxy)(phenoxy)phosphoryl)-L-alaninate"	""	""	"C/C(=C\COP(=O)(N[C@H](C(=O)OCc1ccccc1)C)Oc1ccccc1)/CO[Si](C(C)(C)C)(C)C"	"OAOYKSGPQULCDH-WHZCJLAPSA-N"	"InChI=1S/C27H40NO6PSi/c1-22(20-33-36(6,7)27(3,4)5)18-19-32-35(30,34-25-16-12-9-13-17-25)28-23(2)26(29)31-21-24-14-10-8-11-15-24/h8-18,23H,19-21H2,1-7H3,(H,28,30)/b22-18+/t23-,35?/m0/s1"	"yes"	""	""
"10434"	"compound 5b  [PMID: 31287314]"	""	"Synthetic organic"	""	""	""	""	"385612194"	"0"	""	""	""	""	""	""	""	""	""	""	"O#C[Co]1(C#O)(C#O)C2C1([Co]2(C#O)(C#O)C#O)CNC3=CC=C(C=C3)S(=O)(=O)N"	"QMTFSGDBEOQNOF-UHFFFAOYSA-N"	"InChI=1S/C9H10N2O2S.6CO.2Co/c1-2-7-11-8-3-5-9(6-4-8)14(10,12)13;6*1-2;;/h1,3-6,11H,7H2,(H2,10,12,13);;;;;;;;"	"yes"	""	""
"14287"	"compound 5b [PMID: 41246830]"	""	"Peptide"	""	""	""	""	"521588927"	"176224393"	""	""	""	""	""	""	""	"benzyl N-[(2R)-1-oxo-1-[[(2S)-3-oxopent-4-en-2-yl]amino]-3-phenylpropan-2-yl]carbamate"	""	""	"C[C@@H](C(=O)C=C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2"	"NUIYZIJXWYTVNN-QFBILLFUSA-N"	"InChI=1S/C22H24N2O4/c1-3-20(25)16(2)23-21(26)19(14-17-10-6-4-7-11-17)24-22(27)28-15-18-12-8-5-9-13-18/h3-13,16,19H,1,14-15H2,2H3,(H,23,26)(H,24,27)/t16-,19+/m0/s1"	""	""	""
"9495"	"compound 5c [PMID: 27894870]"	""	"Synthetic organic"	""	""	""	""	"329968435"	"124221654"	""	""	""	""	""	""	""	"4-({[7-(naphthalen-2-yl)-1-benzothiophen-2-yl]methyl}amino)butanoic acid"	""	""	"OC(=O)CCCNCc1cc2c(s1)c(ccc2)c1ccc2c(c1)cccc2"	"XDCOYBQVEVSNNB-UHFFFAOYSA-N"	"InChI=1S/C23H21NO2S/c25-22(26)9-4-12-24-15-20-14-19-7-3-8-21(23(19)27-20)18-11-10-16-5-1-2-6-17(16)13-18/h1-3,5-8,10-11,13-14,24H,4,9,12,15H2,(H,25,26)"	""	""	""
"9008"	"compound 5d [PMID: 25815150]"	""	"Peptide"	""	""	""	""	"310264786"	"117072558"	""	""	""	""	""	""	""	"(2S)-2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2S)-5-carbamimidamido-2-[(2S)-3-(4-fluorophenyl)-2-[(2S)-3-(1H-indol-3-yl)-2-[2-(thiophen-2-yl)acetamido]propanamido]propanamido]pentanoyl]pyrrolidin-2-yl]formamido}pentanamido]butanediamide"	""	""	"NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Cc1cccs1)Cc1ccc(cc1)F"	"TZCCKCLHNUSAMQ-DUGSHLAESA-N"	"InChI=1S/C47H62FN15O8S/c48-28-15-13-26(14-16-28)21-35(62-43(69)36(58-39(65)23-29-7-6-20-72-29)22-27-25-57-31-9-2-1-8-30(27)31)42(68)60-33(11-4-18-56-47(53)54)45(71)63-19-5-12-37(63)44(70)59-32(10-3-17-55-46(51)52)41(67)61-34(40(50)66)24-38(49)64/h1-2,6-9,13-16,20,25,32-37,57H,3-5,10-12,17-19,21-24H2,(H2,49,64)(H2,50,66)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,69)(H4,51,52,55)(H4,53,54,56)/t32-,33-,34-,35-,36-,37-/m0/s1"	""	""	""
"10441"	"compound 5d [PMID: 31335136]"	""	"Synthetic organic"	""	""	""	""	"385612201"	"135197617"	""	""	""	""	""	""	""	"2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(3-methyloxetan-3-yl)methoxy]quinazolin-6-yl]pyridin-3-yl]benzenesulfonamide"	""	"Example 59 [WO2018121550]"	"COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1cc(OCC2(C)COC2)c2c(c1)c(C)ncn2"	"CPUXOJVJEJZOSP-UHFFFAOYSA-N"	"InChI=1S/C26H24F2N4O5S/c1-15-19-6-16(8-22(24(19)31-14-30-15)37-13-26(2)11-36-12-26)17-7-21(25(35-3)29-10-17)32-38(33,34)23-5-4-18(27)9-20(23)28/h4-10,14,32H,11-13H2,1-3H3"	"yes"	""	""
"3091"	"compound 5d [PMID: 7966163]"	""	"Synthetic organic"	""	""	""	""	"135649854"	"44352756"	""	""	"CHEMBL335394"	""	""	""	""	"(6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-4,7-dihydroxy-6-({[(11-phenoxyundecyl)oxy]carbonyl}oxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid"	""	""	"CC(=O)O[C@@H]([C@@H](Cc1ccccc1)C)C(=C)CCC12OC(C(=O)O)C(C(O1)([C@@H]([C@H]2O)OC(=O)OCCCCCCCCCCCOc1ccccc1)C(=O)O)(O)C(=O)O"	"JJAXJXFYWFJTKF-BWBORTOCSA-N"	"InChI=1S/C43H56O16/c1-28(33(56-30(3)44)29(2)27-31-19-13-11-14-20-31)23-24-41-34(45)35(43(59-41,39(50)51)42(53,38(48)49)36(58-41)37(46)47)57-40(52)55-26-18-10-8-6-4-5-7-9-17-25-54-32-21-15-12-16-22-32/h11-16,19-22,29,33-36,45,53H,1,4-10,17-18,23-27H2,2-3H3,(H,46,47)(H,48,49)(H,50,51)/t29-,33-,34-,35-,36?,41?,42?,43?/m1/s1"	""	""	""
"3082"	"compound 5d [PMID: 7966163]"	""	"Synthetic organic"	""	""	""	""	"135649856"	"44352892"	""	""	"CHEMBL441322"	""	""	""	""	"(6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-6-{[(decyloxy)carbonyl]oxy}-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid"	""	""	"CCCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCC(=C)[C@H]([C@@H](Cc1ccccc1)C)OC(=O)C"	"PDGYNYIQKDRVIT-JCIOCXPTSA-N"	"InChI=1S/C36H50O15/c1-5-6-7-8-9-10-11-15-20-47-33(45)49-28-27(38)34(50-29(30(39)40)35(46,31(41)42)36(28,51-34)32(43)44)19-18-22(2)26(48-24(4)37)23(3)21-25-16-13-12-14-17-25/h12-14,16-17,23,26-29,38,46H,2,5-11,15,18-21H2,1,3-4H3,(H,39,40)(H,41,42)(H,43,44)/t23-,26-,27-,28-,29?,34?,35?,36?/m1/s1"	""	""	""
"3169"	"compound 5e [PMID: 17975902]"	""	"Synthetic organic"	""	""	""	""	"135649662"	"12066684"	""	""	"CHEMBL437758"	""	""	""	""	"[1-fluoro-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid"	""	""	"OP(=O)(C(P(=O)(O)O)(Cc1cccnc1)F)O"	"HHDUHWLBPDOLIL-UHFFFAOYSA-N"	"InChI=1S/C7H10FNO6P2/c8-7(16(10,11)12,17(13,14)15)4-6-2-1-3-9-5-6/h1-3,5H,4H2,(H2,10,11,12)(H2,13,14,15)"	""	""	""
"9712"	"compound 5e [PMID: 28580438]"	""	"Synthetic organic"	""	""	""	""	"348353671"	"131801163"	""	""	""	""	""	""	""	"N4-(propan-2-yl)-N2-[3-(pyridin-3-yl)phenyl]pyrimidine-2,4-diamine"	""	""	"CC(Nc1ccnc(n1)Nc1cccc(c1)c1cccnc1)C"	"JTFUPGNZUPRHCZ-UHFFFAOYSA-N"	"InChI=1S/C18H19N5/c1-13(2)21-17-8-10-20-18(23-17)22-16-7-3-5-14(11-16)15-6-4-9-19-12-15/h3-13H,1-2H3,(H2,20,21,22,23)"	"yes"	""	""
"8207"	"compound 5g [PMID: 20483621]"	""	"Synthetic organic"	""	""	""	""	"249565887"	"46906624"	""	""	"CHEMBL1164181"	""	""	""	""	"1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine"	""	""	"CN1CCN(CC1)c1ccc(cn1)c1cnc2c(c1)N(CCN2)Cc1cc(Cl)ccc1Cl"	"CSYSNPSPLOLFFI-UHFFFAOYSA-N"	"InChI=1S/C24H26Cl2N6/c1-30-8-10-31(11-9-30)23-5-2-17(14-28-23)18-13-22-24(29-15-18)27-6-7-32(22)16-19-12-20(25)3-4-21(19)26/h2-5,12-15H,6-11,16H2,1H3,(H,27,29)"	""	""	""
"5514"	"compound 5g [PMID: 21571530]"	""	"Synthetic organic"	""	""	""	""	"178102158"	"53358901"	""	""	"CHEMBL2153581"	""	""	""	""	"N-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide"	""	""	"O=C(NCc1onc(c1)c1ccc(c(c1)C(F)(F)F)F)CCCc1ccc2c(n1)nccc2"	"SWKGPCNQBPGWNX-UHFFFAOYSA-N"	"InChI=1S/C23H18F4N4O2/c24-19-9-7-15(11-18(19)23(25,26)27)20-12-17(33-31-20)13-29-21(32)5-1-4-16-8-6-14-3-2-10-28-22(14)30-16/h2-3,6-12H,1,4-5,13H2,(H,29,32)"	""	""	""
"12277"	"compound 5g [PMID: 36385925]"	""	"Synthetic organic"	""	""	""	""	"473153865"	"155409732"	""	""	""	""	""	""	""	"4-[[7'-[(1R,3R)-3-hydroxycyclohexyl]-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl]amino]-N-(trideuteriomethyl)benzenesulfonamide"	""	""	"O[C@H]1C[C@@H](CCC1)N1C(=O)C2(c3c1nc(nc3)Nc1ccc(cc1)S(=O)(=O)NC([2H])([2H])[2H])CC2"	"AKQOBHZKBDHWQI-BZEFIUHZSA-N"	"InChI=1S/C21H25N5O4S/c1-22-31(29,30)16-7-5-13(6-8-16)24-20-23-12-17-18(25-20)26(19(28)21(17)9-10-21)14-3-2-4-15(27)11-14/h5-8,12,14-15,22,27H,2-4,9-11H2,1H3,(H,23,24,25)/t14-,15-/m1/s1/i1D3"	""	""	""
"12336"	"compound 5i [PMID: 36542759]"	""	"Synthetic organic"	""	""	""	""	"479821127"	"166642424"	""	""	""	""	""	""	""	""	""	""	"OC[C@H]1Nc2c(cnc(Nc3cc(CCCCOc4c1cccc4)c(cc3)C#N)n2)c1cn(CC(C)(O)C)nc1"	"DSSNAGYVGTYAGH-AREMUKBSSA-N"	"InChI=1S/C30H33N7O3/c1-30(2,39)19-37-17-22(15-33-37)25-16-32-29-34-23-11-10-21(14-31)20(13-23)7-5-6-12-40-27-9-4-3-8-24(27)26(18-38)35-28(25)36-29/h3-4,8-11,13,15-17,26,38-39H,5-7,12,18-19H2,1-2H3,(H2,32,34,35,36)/t26-/m1/s1"	"yes"	""	""
"3099"	"compound 5j [PMID: 9216829]"	""	"Synthetic organic"	""	""	""	""	"135649673"	"10699948"	""	""	"CHEMBL303461"	""	""	""	""	"(1S,2S,3S,4S)-3,4-bis({butyl[(4-phenoxyphenyl)methyl]carbamoyl})cyclobutane-1,2-dicarboxylic acid"	""	""	"CCCCN(C(=O)[C@@H]1[C@H](C(=O)O)[C@H]([C@H]1C(=O)N(Cc1ccc(cc1)Oc1ccccc1)CCCC)C(=O)O)Cc1ccc(cc1)Oc1ccccc1"	"GNPHAOQLHRZODS-ZQWQDMLBSA-N"	"InChI=1S/C42H46N2O8/c1-3-5-25-43(27-29-17-21-33(22-18-29)51-31-13-9-7-10-14-31)39(45)35-36(38(42(49)50)37(35)41(47)48)40(46)44(26-6-4-2)28-30-19-23-34(24-20-30)52-32-15-11-8-12-16-32/h7-24,35-38H,3-6,25-28H2,1-2H3,(H,47,48)(H,49,50)/t35-,36-,37-,38-/m0/s1"	""	""	""
"8801"	"compound 5k [PMID: 23528296]"	""	"Synthetic organic"	""	""	""	""	"252827459"	"71601847"	""	""	"CHEMBL2377621"	""	""	""	""	"2-[4-(5-fluoropyridin-2-yl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide"	""	""	"Fc1ccc(nc1)N1CCN(CC1)CC(=O)Nc1nc2c(s1)CCCC2"	"ORQHHLPTMSGMQT-UHFFFAOYSA-N"	"InChI=1S/C18H22FN5OS/c19-13-5-6-16(20-11-13)24-9-7-23(8-10-24)12-17(25)22-18-21-14-3-1-2-4-15(14)26-18/h5-6,11H,1-4,7-10,12H2,(H,21,22,25)"	""	""	""
"8206"	"compound 5m [PMID: 20483621]"	""	"Synthetic organic"	""	""	""	""	"249565886"	"46871638"	""	""	"CHEMBL1163559"	""	""	""	""	"[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone"	""	""	"Clc1ccc(c(c1)CN1CCNc2c1cc(cn2)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1)C(F)(F)F"	"JVVGHVJDZJSKRA-UHFFFAOYSA-N"	"InChI=1S/C31H33ClF3N5O/c32-25-7-8-27(31(33,34)35)24(17-25)20-40-16-11-36-29-28(40)18-23(19-37-29)21-3-5-22(6-4-21)30(41)39-14-9-26(10-15-39)38-12-1-2-13-38/h3-8,17-19,26H,1-2,9-16,20H2,(H,36,37)"	""	""	""
"3098"	"compound 5m [PMID: 9216829]"	""	"Synthetic organic"	""	""	""	""	"135649672"	"10818542"	""	""	"CHEMBL304119"	""	""	""	""	"(1S,2S,3S,4S)-3,4-bis[(2-methylpropyl)[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid"	""	""	"CC(CN(C(=O)[C@@H]1[C@H](C(=O)O)[C@H]([C@H]1C(=O)N(Cc1ccc(cc1)Oc1ccccc1)CC(C)C)C(=O)O)Cc1ccc(cc1)Oc1ccccc1)C"	"ZXCUOCHXNYWBBG-ZQWQDMLBSA-N"	"InChI=1S/C42H46N2O8/c1-27(2)23-43(25-29-15-19-33(20-16-29)51-31-11-7-5-8-12-31)39(45)35-36(38(42(49)50)37(35)41(47)48)40(46)44(24-28(3)4)26-30-17-21-34(22-18-30)52-32-13-9-6-10-14-32/h5-22,27-28,35-38H,23-26H2,1-4H3,(H,47,48)(H,49,50)/t35-,36-,37-,38-/m0/s1"	""	""	""
"8844"	"compound 5 [Noble <i>et al.</i>, 1992]"	""	"Synthetic organic"	""	""	""	""	"252827501"	"15931446"	""	""	"CHEMBL1161242"	""	""	""	""	"[3,4-bis(dihydroxyphosphinothioyloxy)-2,5,6-trihydroxycyclohexyl] dihydrogen phosphate"	""	"<i>myo</i>-inositol 1-phosphate 4,5-bisphosphorothioate"	"OC1C(OP(=S)(O)O)C(OP(=S)(O)O)C(C(C1O)OP(=O)(O)O)O"	"OEKHZIJBKVQWQC-UHFFFAOYSA-N"	"InChI=1S/C6H15O13P3S2/c7-1-2(8)5(18-21(13,14)23)6(19-22(15,16)24)3(9)4(1)17-20(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,23)(H2,15,16,24)"	""	""	""
"8208"	"compound 5n [PMID: 20483621]"	""	"Synthetic organic"	""	""	""	""	"249565888"	"46871653"	""	""	"CHEMBL1163566"	""	""	""	""	"1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-ylpyridin-4-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine"	""	""	"Clc1ccc(c(c1)CN1CCNc2c1cc(cn2)c1ccnc(c1)N1CCNCC1)C(F)(F)F"	"AHZCYZMNFBGXAC-UHFFFAOYSA-N"	"InChI=1S/C24H24ClF3N6/c25-19-1-2-20(24(26,27)28)18(11-19)15-34-10-7-31-23-21(34)12-17(14-32-23)16-3-4-30-22(13-16)33-8-5-29-6-9-33/h1-4,11-14,29H,5-10,15H2,(H,31,32)"	""	""	""
"8843"	"compound 5 [PMID: 10869194]"	""	"Natural product"	""	""	""	""	"252827500"	"44583698"	""	""	"CHEMBL503874"	""	""	""	""	"(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-6a-[(E)-4-(4-hydroxyphenyl)-2-oxobut-3-enyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid"	""	""	"O=C(C[C@@]12CC[C@@]3([C@H](C1=CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)[C@@H](C)[C@@H](CC3)C)C(=O)O)/C=C/c1ccc(cc1)O"	"NOTLGMDYQMIWNO-ZBFFZJPBSA-N"	"InChI=1S/C39H54O5/c1-24-15-20-38(34(43)44)21-22-39(23-28(41)12-9-26-7-10-27(40)11-8-26)29(33(38)25(24)2)13-14-31-36(5)18-17-32(42)35(3,4)30(36)16-19-37(31,39)6/h7-13,24-25,30-33,40,42H,14-23H2,1-6H3,(H,43,44)/b12-9+/t24-,25+,30+,31-,32+,33+,36+,37-,38+,39+/m1/s1"	""	""	""
"9348"	"compound 5 [PMID: 17618114]"	""	"Synthetic organic"	""	""	""	""	"328083450"	"23625762"	""	""	"CHEMBL237352"	""	""	""	""	""	""	"Tie2 kinase inhibitor"	"COc1ccc2c(c1)ccc(c2)c1nc([nH]c1c1ccncc1)c1ccc(cc1)S(=O)C"	"SINQIEAULQKUPD-UHFFFAOYSA-N"	"InChI=1S/C26H21N3O2S/c1-31-22-8-5-19-15-21(4-3-20(19)16-22)25-24(17-11-13-27-14-12-17)28-26(29-25)18-6-9-23(10-7-18)32(2)30/h3-16H,1-2H3,(H,28,29)"	""	""	""
"3081"	"compound 5 [PMID: 18754614]"	""	"Synthetic organic"	""	""	""	""	"135649801"	"25108103"	""	""	"CHEMBL449619"	""	""	""	""	"4-methyl-2-[4-(thiophen-2-yl)phenyl]morpholin-2-ol"	""	""	"CN1CCOC(C1)(O)c1ccc(cc1)c1cccs1"	"KXFMAIULBLABNA-UHFFFAOYSA-N"	"InChI=1S/C15H17NO2S/c1-16-8-9-18-15(17,11-16)13-6-4-12(5-7-13)14-3-2-10-19-14/h2-7,10,17H,8-9,11H2,1H3"	""	""	""
"11407"	"compound 5 [PMID: 19338355]"	""	"Synthetic organic"	""	""	""	""	"440816776"	"24825779"	""	""	"CHEMBL523435"	""	""	""	""	"3-(5-Fluoro-6-iodo-1-methyl-1H-indol-3-yl)-4-(7-methoxybenzofuran-3-yl)pyrrole-2,5-dione"	""	""	"COc1cccc2c1occ2C1=C(C(=O)NC1=O)c1cn(c2c1cc(F)c(c2)I)C"	"JBKILIGSDAQHSL-UHFFFAOYSA-N"	"InChI=1S/C22H14FIN2O4/c1-26-8-12(11-6-14(23)15(24)7-16(11)26)18-19(22(28)25-21(18)27)13-9-30-20-10(13)4-3-5-17(20)29-2/h3-9H,1-2H3,(H,25,27,28)"	""	""	""
"8670"	"compound 5 [PMID: 21741839]"	""	"Synthetic organic"	""	""	""	""	"252166870"	"46899577"	""	""	"CHEMBL1229259"	""	""	""	""	"(2S)-1-[(2R)-2-(benzylsulfonylamino)-5-(diaminomethylideneamino)pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide"	""	""	"NC(=NCCC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N)NS(=O)(=O)Cc1ccccc1)N"	"QKFCYPKTTJCUSZ-YADHBBJMSA-N"	"InChI=1S/C26H36N8O4S/c27-23(28)20-12-10-18(11-13-20)16-32-24(35)22-9-5-15-34(22)25(36)21(8-4-14-31-26(29)30)33-39(37,38)17-19-6-2-1-3-7-19/h1-3,6-7,10-13,21-22,33H,4-5,8-9,14-17H2,(H3,27,28)(H,32,35)(H4,29,30,31)/t21-,22+/m1/s1"	""	""	""
"8790"	"compound 5 [PMID: 21838328]"	""	"Synthetic organic"	""	""	""	""	"252827448"	"44547183"	""	""	"CHEMBL1831083"	""	""	""	""	"ethyl 3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate"	""	""	"CCOC(=O)C(C(n1cncc1)c1ccc(cc1)Nc1ccc2c(c1)cccc2)(C)C"	"GJYCFJGZPVJOKR-UHFFFAOYSA-N"	"InChI=1S/C26H27N3O2/c1-4-31-25(30)26(2,3)24(29-16-15-27-18-29)20-10-12-22(13-11-20)28-23-14-9-19-7-5-6-8-21(19)17-23/h5-18,24,28H,4H2,1-3H3"	""	""	""
"6715"	"compound 5 [PMID: 22533316]"	""	"Synthetic organic"	""	""	""	""	"178103326"	"10159157"	""	""	"CHEMBL2219906"	""	""	""	""	"4-chlorophenyl N-methyl-N-[(1r,4r)-4-{5-[ethyl(2-hydroxyethyl)amino]pent-1-yn-1-yl}cyclohexyl]carbamate"	""	""	"OCCN(CCCC#C[C@@H]1CC[C@H](CC1)N(C(=O)Oc1ccc(cc1)Cl)C)CC"	"UBLUCOHGNHINJX-XUTJKUGGSA-N"	"InChI=1S/C23H33ClN2O3/c1-3-26(17-18-27)16-6-4-5-7-19-8-12-21(13-9-19)25(2)23(28)29-22-14-10-20(24)11-15-22/h10-11,14-15,19,21,27H,3-4,6,8-9,12-13,16-18H2,1-2H3/t19-,21-"	""	""	""
"8192"	"compound 5 [PMID: 23232060]"	""	"Synthetic organic"	""	""	""	""	"249565872"	"71540619"	""	""	"CHEMBL2312144"	""	""	""	""	"4-methoxy-3-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyridin-4-yl]benzonitrile"	""	""	"COc1cc(ccc1N1CCN(CC1)C)Nc1nccc(c1)c1cc(C#N)ccc1OC"	"GOMSKBLQVUFHHS-UHFFFAOYSA-N"	"InChI=1S/C25H27N5O2/c1-29-10-12-30(13-11-29)22-6-5-20(16-24(22)32-3)28-25-15-19(8-9-27-25)21-14-18(17-26)4-7-23(21)31-2/h4-9,14-16H,10-13H2,1-3H3,(H,27,28)"	""	""	""
"8655"	"compound 5 {PMID: 24900446]"	""	"Synthetic organic"	""	""	""	""	"252166855"	"18392356"	""	""	"CHEMBL2047313"	""	""	""	""	"5-[[(3S)-3-[benzyl-(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide"	""	""	"COc1ccc2c(c1)cc(cc2)S(=O)(=O)N([C@H]1CCN(C1=O)Cc1ccc(s1)C(=N)N)Cc1ccccc1"	"KKFJNRXJRRYNRJ-VWLOTQADSA-N"	"InChI=1S/C28H28N4O4S2/c1-36-22-9-7-20-8-11-24(16-21(20)15-22)38(34,35)32(17-19-5-3-2-4-6-19)25-13-14-31(28(25)33)18-23-10-12-26(37-23)27(29)30/h2-12,15-16,25H,13-14,17-18H2,1H3,(H3,29,30)/t25-/m0/s1"	""	""	""
"7869"	"compound 5  [PMID: 24900526]"	""	"Synthetic organic"	""	""	""	""	"223366199"	"66560622"	""	""	"CHEMBL2205660"	""	""	""	""	"2-[(4-methoxyphenyl)sulfonyl-[(2S)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetic acid"	""	""	"COc1ccc(cc1)S(=O)(=O)N(C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)CC(C)C)CC(=O)O"	"QXROXWFFCFLRBZ-ZEQRLZLVSA-N"	"InChI=1S/C28H35N3O9S/c1-19(2)16-23(27(35)31(17-25(32)33)41(37,38)22-13-11-21(39-3)12-14-22)29-26(34)24-10-7-15-30(24)28(36)40-18-20-8-5-4-6-9-20/h4-6,8-9,11-14,19,23-24H,7,10,15-18H2,1-3H3,(H,29,34)(H,32,33)/t23-,24-/m0/s1"	""	""	""
"9699"	"compound 5 [PMID: 28038940]"	""	"Synthetic organic"	""	""	""	""	"348353658"	"131801160"	""	""	""	""	""	""	""	"N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide"	""	""	"C=CC(=O)Nc1ccccc1Nc1nc(ncc1Cl)Nc1ccc(cc1)N1CCN(CC1)C"	"SCMLGVPMSXTUNC-UHFFFAOYSA-N"	"InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30)"	""	""	""
"10398"	"compound 5 [PMID: 30894487]"	""	"Synthetic organic"	""	""	""	""	"384403677"	"134158252"	""	""	"CHEMBL3989220"	""	""	""	""	"N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide"	""	""	"Fc1ccc2c(c1)c(=O)cc(o2)C(=O)NCC1(O)CCC(CC1)(F)F"	"PJBRCGHQNUWERQ-UHFFFAOYSA-N"	"InChI=1S/C17H16F3NO4/c18-10-1-2-13-11(7-10)12(22)8-14(25-13)15(23)21-9-16(24)3-5-17(19,20)6-4-16/h1-2,7-8,24H,3-6,9H2,(H,21,23)"	""	"yes"	""
"11843"	"compound 5 [PMID: 34779204]"	""	"Synthetic organic"	""	""	""	""	"461663399"	"157049304"	""	""	""	""	""	""	""	""	""	""	"C[C@@H]1COCCN1c1nn2[C@@H]3CCC[C@@H]3NC(=O)c2c1"	"LQBRZKIUSVUXJP-OUAUKWLOSA-N"	"InChI=1S/C14H20N4O2/c1-9-8-20-6-5-17(9)13-7-12-14(19)15-10-3-2-4-11(10)18(12)16-13/h7,9-11H,2-6,8H2,1H3,(H,15,19)/t9-,10+,11-/m1/s1"	""	""	""
"13917"	"compound 5 [PMID: 40393772]"	""	"Synthetic organic"	""	""	""	""	"513757602"	"164561427"	""	""	""	""	""	""	""	"N-[4-[(1R,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]-1-(3-fluoropropyl)azetidin-3-amine"	""	""	"C[C@H]1N(C23CC(C2)C3)[C@H](C4=C(F)C=C(NC5CN(CCCF)C5)C=C4F)C6=C(C1)C7=CC=CC=C7N6"	"MOYJTIZSTKNDGD-OEVYRDLRSA-N"	"InChI=1S/C29H33F3N4/c1-17-9-22-21-5-2-3-6-25(21)34-27(22)28(36(17)29-12-18(13-29)14-29)26-23(31)10-19(11-24(26)32)33-20-15-35(16-20)8-4-7-30/h2-3,5-6,10-11,17-18,20,28,33-34H,4,7-9,12-16H2,1H3/t17-,18?,28-,29?/m1/s1"	""	""	""
"11155"	"compound 5 [Stecula <i>et al</i>., 2020]"	""	"Synthetic organic"	""	""	""	""	"434122215"	"2821638"	""	""	"CHEMBL2409288"	""	""	""	""	""	""	"MCULE-2879769428"	"Clc1ccc(c(c1)Cl)C(=O)OCCSc1ccc(c2c1non2)N(=O)=O"	"HMEXVJMBPXPLKN-UHFFFAOYSA-N"	"InChI=1S/C15H9Cl2N3O5S/c16-8-1-2-9(10(17)7-8)15(21)24-5-6-26-12-4-3-11(20(22)23)13-14(12)19-25-18-13/h1-4,7H,5-6H2"	""	""	"yes"
"10672"	"compound 5 [Tomassi <i>et al</i>., 2020]"	""	"Synthetic organic"	""	""	""	""	"404859119"	"145996538"	""	""	""	""	""	""	""	"2-{[2-(4-{2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]ethyl}piperazin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazolin-4-one"	""	""	"O=c1[nH]c(SCCN2CCN(CC2)CCSc2nc3ccccc3c(=O)[nH]2)nc2c1cccc2"	"RHCZTJJJLXGIDT-UHFFFAOYSA-N"	"InChI=1S/C24H26N6O2S2/c31-21-17-5-1-3-7-19(17)25-23(27-21)33-15-13-29-9-11-30(12-10-29)14-16-34-24-26-20-8-4-2-6-18(20)22(32)28-24/h1-8H,9-16H2,(H,25,27,31)(H,26,28,32)"	""	""	""
"11443"	"compound 5 [Zhang <i>et al</i>., 2021]"	""	"Synthetic organic"	""	""	""	""	"440816812"	"155803729"	""	""	""	""	""	""	""	"2-(3-(3-Chloro-5-propoxyphenyl)-2-oxo-2H [1,3'-bipyridin]-5-yl)benzonitrile"	""	""	"CCCOc1cc(Cl)cc(c1)c1cc(cn(c1=O)c1cccnc1)c1ccccc1C#N"	"KFGXONJZGIXSGH-UHFFFAOYSA-N"	"InChI=1S/C26H20ClN3O2/c1-2-10-32-23-12-19(11-21(27)14-23)25-13-20(24-8-4-3-6-18(24)15-28)17-30(26(25)31)22-7-5-9-29-16-22/h3-9,11-14,16-17H,2,10H2,1H3"	""	""	""
"8893"	"compound 5z [PMID: 8410981]"	""	"Synthetic organic"	""	""	""	""	"310264674"	"72403"	""	""	"CHEMBL307794"	""	""	""	""	""	""	"10,11-Methylenedioxy-20S-camptothecin"	"CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4cc5OCOc5cc4cc3Cn1c2=O"	"RPFYDENHBPRCTN-NRFANRHFSA-N"	"InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3/t21-/m0/s1"	""	""	""
"8641"	"compound 60 [PMID: 26155854]"	""	"Synthetic organic"	""	""	""	""	"252166841"	"91820725"	""	""	""	""	""	""	""	"5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one"	""	""	"COc1cncc(c1)c1cnc(c2c1cc(C)c(=O)[nH]2)NC1CCNCC1"	"FPQQERRFPULCIK-UHFFFAOYSA-N"	"InChI=1S/C20H23N5O2/c1-12-7-16-17(13-8-15(27-2)10-22-9-13)11-23-19(18(16)25-20(12)26)24-14-3-5-21-6-4-14/h7-11,14,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)"	""	""	""
"11147"	"compound 60 [PMID: 30889352]"	""	"Synthetic organic"	""	""	""	""	"434122207"	"154699450"	""	""	""	""	""	""	""	"(R)-(1-(4-((3-((4-Chlorobenzyl)thio)phenoxy)methyl)benzyl)pyrrolidin-2-yl)methanol"	""	""	"OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)SCc1ccc(cc1)Cl"	"MHOHZJCELKBJCZ-XMMPIXPASA-N"	"InChI=1S/C26H28ClNO2S/c27-23-12-10-22(11-13-23)19-31-26-5-1-4-25(15-26)30-18-21-8-6-20(7-9-21)16-28-14-2-3-24(28)17-29/h1,4-13,15,24,29H,2-3,14,16-19H2/t24-/m1/s1"	""	""	""
"12224"	"compound 61 [PMID: 36221183]"	""	"Synthetic organic"	""	""	""	""	"473153812"	"165437860"	""	""	""	""	""	""	""	"(R)-2-(2-Chloro-6-fluoro-3-((1-methylpyrrolidin-3-yl)oxy)phenyl)naphtho[2,3-d]oxazole-4,9-dione"	""	""	"O=C1c2c(oc(c3c(F)ccc(O[C@@H]4CCN(C)C4)c3Cl)n2)C(=O)c2c1cccc2"	"HXIYHNFNCGXLAU-LLVKDONJSA-N"	"InChI=1S/C22H16ClFN2O4/c1-26-9-8-11(10-26)29-15-7-6-14(24)16(17(15)23)22-25-18-19(27)12-4-2-3-5-13(12)20(28)21(18)30-22/h2-7,11H,8-10H2,1H3/t11-/m1/s1"	""	""	""
"12523"	"compound 65 [PMID: 36126387]"	""	"Synthetic organic"	""	""	""	""	"479821313"	"165412766"	""	""	""	""	""	""	""	"4-(4-fluoropiperidine-1-carbonyl)-6,7-dimethoxy-2-(3-methyl-1-benzothiophen-5-yl)isoquinolin-1-one"	""	"LPA5 antagonist 2"	"FC1CCN(CC1)C(=O)C2=CN(C(C3=CC(=C(C=C23)OC)OC)=O)C4=CC5=C(SC=C5C)C=C4"	"HELXFZDNFAKTSS-UHFFFAOYSA-N"	"InChI=1S/C26H25FN2O4S/c1-15-14-34-24-5-4-17(10-18(15)24)29-13-21(25(30)28-8-6-16(27)7-9-28)19-11-22(32-2)23(33-3)12-20(19)26(29)31/h4-5,10-14,16H,6-9H2,1-3H3"	""	""	""
"12503"	"compound 6641"	""	"Synthetic organic"	""	""	""	""	"479821293"	"167993647"	""	""	""	""	""	""	""	""	""	""	"FC(F)(F)OC1=CC(I)=C(OCC(=O)N2CCN3[C@@H](C2)C(=O)NC4=C(C=C(C=C4)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C3=O)C=C1"	"RXZGDVFLBPJIER-QFIPXVFZSA-N"	"InChI=1S/C29H19F9IN3O5/c30-27(31,32)16-7-15(8-17(10-16)28(33,34)35)14-1-3-21-19(9-14)26(45)42-6-5-41(12-22(42)25(44)40-21)24(43)13-46-23-4-2-18(11-20(23)39)47-29(36,37)38/h1-4,7-11,22H,5-6,12-13H2,(H,40,44)/t22-/m0/s1"	""	""	""
"13911"	"compound 669 [WO2021055376A1]"	""	"Synthetic organic"	""	""	""	""	"513757596"	"156188935"	""	""	""	""	""	""	""	""	""	""	"CCC(=O)N[C@H]([C@@H](C)C1=CC(F)=C(NC(=O)[C@@H](NC(=O)C(F)(F)C2CCOCC2)[C@H]3CC[C@H](C)CC3)C=C1)C(=O)N4CCN(C)CC4"	"JQJIKYJEWUSKJS-GVIAMBBFSA-N"	"InChI=1S/C34H50F3N5O5/c1-5-28(43)39-29(32(45)42-16-14-41(4)15-17-42)22(3)24-10-11-27(26(35)20-24)38-31(44)30(23-8-6-21(2)7-9-23)40-33(46)34(36,37)25-12-18-47-19-13-25/h10-11,20-23,25,29-30H,5-9,12-19H2,1-4H3,(H,38,44)(H,39,43)(H,40,46)/t21-,22-,23-,29+,30-/m0/s1"	"yes"	""	""
"8141"	"compound 66 [PMID: 19788238]"	""	"Synthetic organic"	""	""	""	""	"249565821"	"44478401"	""	""	"CHEMBL566515"	""	""	""	""	"7-(5-hydroxy-2-methylphenyl)-6-(2-methoxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione"	""	""	"COc1ccccc1n1c(cn2c1nc1c2c(=O)[nH]c(=O)n1C)c1cc(O)ccc1C"	"JTWMOWRMSZZHDR-UHFFFAOYSA-N"	"InChI=1S/C22H19N5O4/c1-12-8-9-13(28)10-14(12)16-11-26-18-19(25(2)22(30)24-20(18)29)23-21(26)27(16)15-6-4-5-7-17(15)31-3/h4-11,28H,1-3H3,(H,24,29,30)"	""	""	""
"8212"	"compound 66 [PMID: 21802293]"	""	"Synthetic organic"	""	""	""	""	"249565892"	"53484100"	""	""	"CHEMBL1822258"	""	""	""	""	"2,6-difluoro-3-[(3-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide"	""	""	"COc1n[nH]c2c1cc(cn2)NC(=O)c1c(F)ccc(c1F)NS(=O)(=O)c1cccc(c1)F"	"WGFNXGPBPIJYLI-UHFFFAOYSA-N"	"InChI=1S/C20H14F3N5O4S/c1-32-20-13-8-11(9-24-18(13)26-27-20)25-19(29)16-14(22)5-6-15(17(16)23)28-33(30,31)12-4-2-3-10(21)7-12/h2-9,28H,1H3,(H,25,29)(H,24,26,27)"	""	""	""
"12524"	"compound 66 [PMID: 36126387]"	""	"Synthetic organic"	""	""	""	""	"479821314"	"165412765"	""	""	""	""	""	""	""	"4-(4-ethynylpiperidine-1-carbonyl)-6,7-dimethoxy-2-(3-methyl-1-benzothiophen-5-yl)isoquinolin-1-one"	""	"LPA5 antagonist 1"	"C(#C)C1CCN(CC1)C(=O)C2=CN(C(C3=CC(=C(C=C23)OC)OC)=O)C4=CC5=C(SC=C5C)C=C4"	"KNTSYYKDKFNRKN-UHFFFAOYSA-N"	"InChI=1S/C28H26N2O4S/c1-5-18-8-10-29(11-9-18)27(31)23-15-30(19-6-7-26-20(12-19)17(2)16-35-26)28(32)22-14-25(34-4)24(33-3)13-21(22)23/h1,6-7,12-16,18H,8-11H2,2-4H3"	""	""	""
"8165"	"compound 68 [PMID: 24900699]"	""	"Synthetic organic"	""	""	""	""	"249565845"	"71529752"	""	""	"CHEMBL2386744"	""	""	""	""	"methyl 9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate"	""	""	"COC(=N)c1nc2c(s1)c1c(ncnc1cc2)Nc1ccc(cc1F)Br"	"ZBELDPMWYXDLNY-UHFFFAOYSA-N"	"InChI=1S/C17H11BrFN5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)"	""	""	""
"8782"	"compound 69 [PMID: 19136975]"	""	"Synthetic organic"	""	""	""	""	"252827440"	"25105713"	""	""	"CHEMBL492572"	""	""	""	""	"N-[(2S)-1-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide"	""	""	"C[C@H](NC(=O)c1ccc2c(c1)cccc2)CN1CCC(CC1)n1c(=O)[nH]c2c1ccc(c2)Cl"	"DRIMIUYGTDAQOX-KRWDZBQOSA-N"	"InChI=1S/C26H27ClN4O2/c1-17(28-25(32)20-7-6-18-4-2-3-5-19(18)14-20)16-30-12-10-22(11-13-30)31-24-9-8-21(27)15-23(24)29-26(31)33/h2-9,14-15,17,22H,10-13,16H2,1H3,(H,28,32)(H,29,33)/t17-/m0/s1"	""	""	""
"2963"	"compound 6a [Patil <i>et al.</i>, 1989]"	""	"Synthetic organic"	""	""	""	""	"135649831"	"9543636"	""	""	"CHEMBL489540"	""	""	""	""	"(5E)-octadec-5-en-7,9-diynoic acid"	""	""	"CCCCCCCCC#CC#C/C=C/CCCC(=O)O"	"IGVKWAAPMVVTFX-BUHFOSPRSA-N"	"InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h13-14H,2-8,15-17H2,1H3,(H,19,20)/b14-13+"	""	""	""
"8744"	"compound 6a [PMID: 18942826]"	""	"Synthetic organic"	""	""	""	""	"252827402"	"10365"	""	""	"CHEMBL316034"	""	""	""	""	"pyridine-2,4-dicarboxylic acid"	""	"lutidinic acid"	"OC(=O)c1ccnc(c1)C(=O)O"	"MJIVRKPEXXHNJT-UHFFFAOYSA-N"	"InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)"	""	""	""
"3132"	"compound 6 [Biller <i>et al.</i>, 1991]"	""	"Synthetic organic"	""	""	""	""	"135650358"	"44370654"	""	""	"CHEMBL1161372"	""	""	""	""	"{[hydroxy({[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}methyl)phosphoryl]methyl}phosphonic acid"	""	""	"C/C(=C\COCP(=O)(CP(=O)(O)O)O)/CC/C=C(\CCC=C(C)C)/C"	"NQSFGDNIHNVCHW-KKYJLSSQSA-N"	"InChI=1S/C17H32O6P2/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-23-13-24(18,19)14-25(20,21)22/h7,9,11H,5-6,8,10,12-14H2,1-4H3,(H,18,19)(H2,20,21,22)/b16-9-,17-11+"	""	""	""
"8814"	"compound 6b [PMID: 22749870]"	""	"Synthetic organic"	""	""	""	""	"252827472"	"24938285"	""	""	"CHEMBL2078890"	""	""	""	""	"[2-[2-(carbamimidoylsulfanylmethyl)-4-fluorophenyl]sulfanyl-5-nitrophenyl]methyl carbamimidothioate"	""	""	"NC(=N)SCc1cc(F)ccc1Sc1ccc(cc1CSC(=N)N)[N+](=O)[O-]"	"KPKVFORNVZIISV-UHFFFAOYSA-N"	"InChI=1S/C16H16FN5O2S3/c17-11-1-3-13(9(5-11)7-25-15(18)19)27-14-4-2-12(22(23)24)6-10(14)8-26-16(20)21/h1-6H,7-8H2,(H3,18,19)(H3,20,21)"	""	""	""
"7927"	"compound 6b [PMID: 24999562]"	""	"Peptide"	""	""	""	""	"249565610"	"91623353"	""	""	""	""	""	""	""	""	""	""	"NC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC1CCCCC1)CC(C)C)CCC(C)C"	"KAFZOLYKKCWUBI-HPMAGDRPSA-N"	"InChI=1S/C40H72N12O8/c1-23(2)14-16-27(48-37(58)29(20-24(3)4)47-33(54)17-15-25-10-6-5-7-11-25)36(57)51-30(22-41)39(60)52-19-9-13-31(52)38(59)49-26(12-8-18-46-40(44)45)35(56)50-28(34(43)55)21-32(42)53/h23-31H,5-22,41H2,1-4H3,(H2,42,53)(H2,43,55)(H,47,54)(H,48,58)(H,49,59)(H,50,56)(H,51,57)(H4,44,45,46)/t26-,27-,28-,29-,30-,31-/m0/s1"	""	""	""
"11706"	"compound 6c [PMID: 34435786]"	""	"Synthetic organic"	""	""	""	""	"442878732"	"156587569"	""	""	""	""	""	""	""	"((2R,3R,4S)-4-Amino)-2-(6-(methylamino)-9H-purin-9-yl)tetrahydrothiophen-3-ol"	""	""	"O[C@H]1[C@@H](SC[C@H]1N)n1cnc2c(ncnc12)NC"	"MEYWNRDHEXYZIX-VISXPRAWSA-N"	"InChI=1S/C10H14N6OS/c1-12-8-6-9(14-3-13-8)16(4-15-6)10-7(17)5(11)2-18-10/h3-5,7,10,17H,2,11H2,1H3,(H,12,13,14)/t5-,7-,10-/m1/s1"	""	""	""
"3083"	"compound 6c [PMID: 7966163]"	""	"Synthetic organic"	""	""	""	""	"135649857"	"44352782"	""	""	"CHEMBL436588"	""	""	""	""	"(6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-6-(dodecyloxy)-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid"	""	""	"CCCCCCCCCCCCO[C@@H]1[C@@H](O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCC(=C)[C@H]([C@@H](Cc1ccccc1)C)OC(=O)C"	"VGNCBRNRHXEODV-XXVHXNRLSA-N"	"InChI=1S/C37H54O13/c1-5-6-7-8-9-10-11-12-13-17-22-47-30-29(39)35(49-31(32(40)41)36(46,33(42)43)37(30,50-35)34(44)45)21-20-24(2)28(48-26(4)38)25(3)23-27-18-15-14-16-19-27/h14-16,18-19,25,28-31,39,46H,2,5-13,17,20-23H2,1,3-4H3,(H,40,41)(H,42,43)(H,44,45)/t25-,28-,29-,30-,31?,35?,36?,37?/m1/s1"	""	""	""
"3086"	"compound 6d [PMID: 7966163]"	""	"Synthetic organic"	""	""	""	""	"135649855"	"44352887"	""	""	"CHEMBL414430"	""	""	""	""	"(6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-4,7-dihydroxy-6-(tetradecyloxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid"	""	""	"CCCCCCCCCCCCCCO[C@@H]1[C@@H](O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCC(=C)[C@H]([C@@H](Cc1ccccc1)C)OC(=O)C"	"UXKLQDCALAWFIU-VKNDCNMPSA-N"	"InChI=1S/C39H58O13/c1-5-6-7-8-9-10-11-12-13-14-15-19-24-49-32-31(41)37(51-33(34(42)43)38(48,35(44)45)39(32,52-37)36(46)47)23-22-26(2)30(50-28(4)40)27(3)25-29-20-17-16-18-21-29/h16-18,20-21,27,30-33,41,48H,2,5-15,19,22-25H2,1,3-4H3,(H,42,43)(H,44,45)(H,46,47)/t27-,30-,31-,32-,33?,37?,38?,39?/m1/s1"	""	""	""
"8796"	"compound 6ee [PMID: 22364528]"	""	"Synthetic organic"	""	""	""	""	"252827454"	"136205832"	""	""	"CHEMBL2041169"	""	""	""	""	"8-[(3-methylpyridin-2-yl)methyl]-1-(4-oxo-1H-pyrimidin-6-yl)-3-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione"	""	""	"O=c1nc[nH]c(c1)N1C(=O)N(C(=O)C21CCN(CC2)Cc1ncccc1C)c1ccc(cc1)c1ccc(cc1)c1[nH]ncc1"	"COBUMZLYZWRZDS-UHFFFAOYSA-N"	"InChI=1S/C33H30N8O3/c1-22-3-2-15-34-28(22)20-39-17-13-33(14-18-39)31(43)40(32(44)41(33)29-19-30(42)36-21-35-29)26-10-8-24(9-11-26)23-4-6-25(7-5-23)27-12-16-37-38-27/h2-12,15-16,19,21H,13-14,17-18,20H2,1H3,(H,37,38)(H,35,36,42)"	""	""	""
"8262"	"compound 6e [PMID: 25614116 ]"	""	"Synthetic organic"	""	""	""	""	"315661096"	"121231392"	""	""	""	""	""	""	""	"4-[2-acetyl-5-(2H-1,3-benzodioxol-4-ylmethoxy)phenoxy]-4-phenylbutanoic acid"	""	""	"OC(=O)CCC(c1ccccc1)Oc1cc(ccc1C(=O)C)OCc1cccc2c1OCO2"	"PQYQQIZSHUQNNZ-UHFFFAOYSA-N"	"InChI=1S/C26H24O7/c1-17(27)21-11-10-20(30-15-19-8-5-9-23-26(19)32-16-31-23)14-24(21)33-22(12-13-25(28)29)18-6-3-2-4-7-18/h2-11,14,22H,12-13,15-16H2,1H3,(H,28,29)"	""	""	""
"11216"	"compound 6e [PMID: 32747425]"	""	"Synthetic organic"	""	""	""	""	"434122276"	"154699460"	""	""	""	""	""	""	""	"4-butylcyclohexyl N-[(1S)-3-methyl-1-{[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl}butyl]carbamate"	""	""	"CCCCC1CCC(CC1)OC(=O)N[C@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)CC(C)C"	"FOLCUFKJHSQMEL-BIXPGCQOSA-N"	"InChI=1S/C24H41N3O5/c1-4-5-6-17-7-9-20(10-8-17)32-24(31)27-21(13-16(2)3)23(30)26-19(15-28)14-18-11-12-25-22(18)29/h15-21H,4-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/t17?,18-,19-,20?,21-/m0/s1"	""	""	""
"11979"	"compound 6f [PMID: 35476936]"	""	"Synthetic organic"	""	""	""	""	"464244120"	"163358781"	""	""	""	""	""	""	""	"3-Cyano-2-(1-methyl-1H-pyrazole-4-carboxamido)-N-(2-pyridinyl)-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxamide"	""	""	"O=C(c1cn(C)nc1)Nc1c(C#N)c2c(s1)CN(C(=O)Nc1ccc(OC)cc1)CC2"	"WVYHDFDOBCBKGI-UHFFFAOYSA-N"	"InChI=1S/C21H20N6O3S/c1-26-11-13(10-23-26)19(28)25-20-17(9-22)16-7-8-27(12-18(16)31-20)21(29)24-14-3-5-15(30-2)6-4-14/h3-6,10-11H,7-8,12H2,1-2H3,(H,24,29)(H,25,28)"	""	""	""
"10194"	"compound 6g [PMID: 30633509]"	""	"Synthetic organic"	""	""	""	""	"381118904"	"137321167"	""	""	""	""	""	""	""	"6-(p-Tolyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine"	""	""	"COc1cc(cc(c1OC)OC)Nc1ncnc2c1sc(c2)c1ccc(cc1)C"	"IXKCNJIWRNIRNO-UHFFFAOYSA-N"	"InChI=1S/C22H21N3O3S/c1-13-5-7-14(8-6-13)19-11-16-21(29-19)22(24-12-23-16)25-15-9-17(26-2)20(28-4)18(10-15)27-3/h5-12H,1-4H3,(H,23,24,25)"	""	""	""
"3118"	"compound 6g [PMID: 7966163]"	""	"Synthetic organic"	""	""	""	""	"135649853"	"44352896"	""	""	"CHEMBL131147"	""	""	""	""	"(6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-4,7-dihydroxy-6-[(11-phenoxyundecyl)oxy]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid"	""	""	"CC(=O)O[C@@H]([C@@H](Cc1ccccc1)C)C(=C)CCC12OC(C(=O)O)C(C(O1)([C@@H]([C@H]2O)OCCCCCCCCCCCOc1ccccc1)C(=O)O)(O)C(=O)O"	"QBTROWHSMGZXCV-RQURQNPSSA-N"	"InChI=1S/C42H56O14/c1-28(33(54-30(3)43)29(2)27-31-19-13-11-14-20-31)23-24-40-34(44)35(42(56-40,39(49)50)41(51,38(47)48)36(55-40)37(45)46)53-26-18-10-8-6-4-5-7-9-17-25-52-32-21-15-12-16-22-32/h11-16,19-22,29,33-36,44,51H,1,4-10,17-18,23-27H2,2-3H3,(H,45,46)(H,47,48)(H,49,50)/t29-,33-,34-,35-,36?,40?,41?,42?/m1/s1"	""	""	""
"9230"	"compound 6j [PMID: 27219676]"	""	"Synthetic organic"	""	""	""	""	"315661305"	"121231414"	""	""	""	""	""	""	""	"(4R)-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide"	""	""	"Cc1ncn(c1)c1cc(NC(=O)c2ccc3c(c2)CN(C[C@@H]3C)c2cncnc2)cc(c1)C(F)(F)F"	"CMJJZRAAQMUAFH-INIZCTEOSA-N"	"InChI=1S/C26H23F3N6O/c1-16-11-34(23-9-30-14-31-10-23)13-19-5-18(3-4-24(16)19)25(36)33-21-6-20(26(27,28)29)7-22(8-21)35-12-17(2)32-15-35/h3-10,12,14-16H,11,13H2,1-2H3,(H,33,36)/t16-/m0/s1"	""	""	""
"11217"	"compound 6j [PMID: 32747425]"	""	"Synthetic organic"	""	""	""	""	"434122277"	"154699461"	""	""	""	""	""	""	""	"(4,4-difluorocyclohexyl)methyl N-[(1S)-3-methyl-1-{[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl}butyl]carbamate"	""	""	"O=C[C@@H](NC(=O)[C@@H](NC(=O)OCC1CCC(CC1)(F)F)CC(C)C)C[C@@H]1CCNC1=O"	"COXVPYKZDDKVRF-ULQDDVLXSA-N"	"InChI=1S/C21H33F2N3O5/c1-13(2)9-17(19(29)25-16(11-27)10-15-5-8-24-18(15)28)26-20(30)31-12-14-3-6-21(22,23)7-4-14/h11,13-17H,3-10,12H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)/t15-,16-,17-/m0/s1"	""	""	""
"12249"	"compound 6li [Chan <i>et al</i>., 2022]"	""	"Synthetic organic"	""	""	""	""	"473153837"	"139533572"	""	""	""	""	""	""	""	"N-cyclohexyl-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyanilino]-1-methylpyrazole-4-carboxamide"	""	""	"COc1c(OCCCN2CCOCC2)cc2nccc(Oc3c(F)cc(Nc4nn(C)cc4C(=O)NC4CCCCC4)cc3)c2c1"	"QBRQTJMZEYORSP-UHFFFAOYSA-N"	"InChI=1S/C34H41FN6O5/c1-40-22-26(34(42)38-23-7-4-3-5-8-23)33(39-40)37-24-9-10-30(27(35)19-24)46-29-11-12-36-28-21-32(31(43-2)20-25(28)29)45-16-6-13-41-14-17-44-18-15-41/h9-12,19-23H,3-8,13-18H2,1-2H3,(H,37,39)(H,38,42)"	""	""	""
"10483"	"compound 6N [PMID: 31419141]"	""	"Synthetic organic"	""	""	""	""	"385612242"	"139030532"	""	""	""	""	""	""	""	"Endo 5-Hexyl-4-phenyl-3a-(1-phenylvinyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl sulfamide"	""	""	"CCCCCCC1=C(c2ccccc2)[C@]2(C(C1)[C@H](CC2)NS(=O)(=O)N)C(=C)c1ccccc1"	"COQCBADNBTZWQG-KKGVWULHSA-N"	"InChI=1S/C28H36N2O2S/c1-3-4-5-8-17-24-20-25-26(30-33(29,31)32)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,30H,2-5,8,17-20H2,1H3,(H2,29,31,32)/t25?,26-,28-/m0/s1"	""	""	""
"5800"	"compound 6o [PMID: 19524438]"	""	"Synthetic organic"	""	""	""	""	"178102425"	"44250176"	""	""	"CHEMBL564300"	""	""	""	""	"3-[bis(thiophen-3-ylmethyl)amino]-1H-pyrazole-5-carboxylic acid"	""	""	"OC(=O)c1n[nH]c(c1)N(Cc1cscc1)Cc1cscc1"	"SQUDZZYXGWLQLZ-UHFFFAOYSA-N"	"InChI=1S/C14H13N3O2S2/c18-14(19)12-5-13(16-15-12)17(6-10-1-3-20-8-10)7-11-2-4-21-9-11/h1-5,8-9H,6-7H2,(H,15,16)(H,18,19)"	""	""	""
"8632"	"compound 6 [PMID: 10395480]"	""	"Synthetic organic"	""	""	""	""	"252166832"	"10336627"	""	""	"CHEMBL2369858"	""	""	""	""	"(2S)-1-[(2R,3S)-3-amino-2-hydroxy-5-methylhexanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide"	""	""	"CC(C[C@@H]([C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)C)O)N)C"	"PDGQBIYMLALKTR-FIQHERPVSA-N"	"InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10-,11-,12+/m0/s1"	""	""	""
"8660"	"compound 6 [PMID: 17948018]"	""	"Synthetic organic"	""	""	""	""	"252166860"	"2729042"	""	""	"CHEMBL1241028"	""	""	""	""	"4,5,6,7-tetrachloroindene-1,3-dione"	""	""	"O=C1CC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl"	"IDLAOWFFKWRNHB-UHFFFAOYSA-N"	"InChI=1S/C9H2Cl4O2/c10-6-4-2(14)1-3(15)5(4)7(11)9(13)8(6)12/h1H2"	""	""	""
"6714"	"compound 6 [PMID: 22533316]"	""	"Synthetic organic"	""	""	""	""	"178103325"	"60154274"	""	""	"CHEMBL2219823"	""	""	""	""	"4-chlorophenyl N-methyl-N-[(1r,4r)-4-{5-[methyl(propyl)amino]pent-1-yn-1-yl}cyclohexyl]carbamate"	""	""	"CCCN(CCCC#C[C@@H]1CC[C@H](CC1)N(C(=O)Oc1ccc(cc1)Cl)C)C"	"FXHALLFKKHHPNQ-XUTJKUGGSA-N"	"InChI=1S/C23H33ClN2O2/c1-4-17-25(2)18-7-5-6-8-19-9-13-21(14-10-19)26(3)23(27)28-22-15-11-20(24)12-16-22/h11-12,15-16,19,21H,4-5,7,9-10,13-14,17-18H2,1-3H3/t19-,21-"	""	""	""
"13195"	"compound 6 [PMID: 29769246]"	""	"Synthetic organic"	""	""	""	""	"491299977"	"139368780"	""	""	"CHEMBL4858076"	""	""	""	""	"N-[(2R)-4-amino-1-(4-tert-butylphenyl)-4-oxobutan-2-yl]-2-(4-methoxyphenyl)sulfanyl-5-[methyl(propan-2-yl)sulfamoyl]benzamide"	""	"Cmpd-6 [PMID: 34580163]"	"NC(C[C@@H](CC1=CC=C(C=C1)C(C)(C)C)NC(C2=C(C=CC(=C2)S(N(C)C(C)C)(=O)=O)SC3=CC=C(C=C3)OC)=O)=O"	"XBWGFMNXTKZHDW-XMMPIXPASA-N"	"InChI=1S/C32H41N3O5S2/c1-21(2)35(6)42(38,39)27-16-17-29(41-26-14-12-25(40-7)13-15-26)28(20-27)31(37)34-24(19-30(33)36)18-22-8-10-23(11-9-22)32(3,4)5/h8-17,20-21,24H,18-19H2,1-7H3,(H2,33,36)(H,34,37)/t24-/m1/s1"	""	""	""
"10073"	"compound 6 [PMID: 30125504]"	""	"Synthetic organic"	""	""	""	""	"375973260"	"134813909"	""	""	""	""	""	""	""	"(R)-4-((8-Cyclopentyl-5-methyl-6-oxo-7-propyl-5,6,7,8-tetrahydropteridin-2-yl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide"	""	""	"CCCC1N(C2CCCC2)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)NC1CCN(CC1)C"	"ZUJOXCIHOKDDRE-UHFFFAOYSA-N"	"InChI=1S/C29H41N7O3/c1-5-8-23-28(38)35(3)24-18-30-29(33-26(24)36(23)21-9-6-7-10-21)32-22-12-11-19(17-25(22)39-4)27(37)31-20-13-15-34(2)16-14-20/h11-12,17-18,20-21,23H,5-10,13-16H2,1-4H3,(H,31,37)(H,30,32,33)"	""	""	""
"11893"	"compound 6 [PMID: 34333981]"	""	"Synthetic organic"	""	""	""	""	"461663448"	"145900912"	""	""	""	""	""	""	""	"4-[[[5-bromo-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]methyl]benzenesulfonamide"	""	""	"NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2Br)cc1"	"RDROKTFULACVDQ-UHFFFAOYSA-N"	"InChI=1S/C22H25BrN6O3S/c23-20-14-26-22(27-18-3-1-2-17(12-18)15-29-8-10-32-11-9-29)28-21(20)25-13-16-4-6-19(7-5-16)33(24,30)31/h1-7,12,14H,8-11,13,15H2,(H2,24,30,31)(H2,25,26,27,28)"	""	""	""
"11775"	"compound 6 [PMID: 34553947]"	""	"Synthetic organic"	""	""	""	""	"458923810"	"162366968"	""	""	""	""	""	""	""	"N-(3-((4R,5R,6R)-2-Amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide"	""	""	"C[C@]1([C@@H](F)[C@@H](C)SC(=N1)N)c1cc(NC(=O)c2ncc3OCCOc3c2)ccc1F"	"LQVIUEMPEFSVOL-CPRIZNHFSA-N"	"InChI=1S/C20H20F2N4O3S/c1-10-17(22)20(2,26-19(23)30-10)12-7-11(3-4-13(12)21)25-18(27)14-8-15-16(9-24-14)29-6-5-28-15/h3-4,7-10,17H,5-6H2,1-2H3,(H2,23,26)(H,25,27)/t10-,17+,20-/m1/s1"	""	""	""
"13023"	"compound 6 [PMID: 38134034]"	""	"Synthetic organic"	""	""	""	""	"485206144"	"169422756"	""	""	""	""	""	""	""	"N,N-bis(4-bromophenyl)prop-2-enamide"	""	""	"BrC1=CC=C(C=C1)N(C(=O)C=C)C2=CC=C(Br)C=C2"	"CFBCPBWFAGSVEA-UHFFFAOYSA-N"	"InChI=1S/C15H11Br2NO/c1-2-15(19)18(13-7-3-11(16)4-8-13)14-9-5-12(17)6-10-14/h2-10H,1H2"	""	""	""
"3063"	"compound 6 [PMID: 7629799]"	""	"Synthetic organic"	""	""	""	""	"135649792"	"56947056"	""	""	"CHEMBL87292"	""	""	""	""	"[4-(4-phenylphenyl)-1-phosphonatobutyl]phosphonate"	""	"compound 3 [PMID: 8576905]"	"[O-]P(=O)(C(P(=O)([O-])[O-])CCCc1ccc(cc1)c1ccccc1)[O-]"	"UQVFFWAGEQWWMP-UHFFFAOYSA-J"	"InChI=1S/C16H20O6P2/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H2,20,21,22)/p-4"	""	""	""
"3018"	"compound 6v [PMID: 1895299]"	""	"Synthetic organic"	""	""	""	""	"135649742"	"56947021"	""	""	"CHEMBL97121"	""	""	""	""	"(3R)-4-{[6-(4-fluorophenyl)-4-(propan-2-yl)-3-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl]methyl phosphonato}-3-hydroxybutanoate"	""	""	"O[C@@H](CP(=O)(OCc1c(nc2c(c1c1ccc(cc1)F)CCCc1c2cccc1)C(C)C)[O-])CC(=O)[O-]"	"MZCZXPHMOGJQBJ-OAQYLSRUSA-L"	"InChI=1S/C28H31FNO6P/c1-17(2)27-24(15-36-37(34,35)16-21(31)14-25(32)33)26(19-10-12-20(29)13-11-19)23-9-5-7-18-6-3-4-8-22(18)28(23)30-27/h3-4,6,8,10-13,17,21,31H,5,7,9,14-16H2,1-2H3,(H,32,33)(H,34,35)/p-2/t21-/m1/s1"	""	""	""
"12593"	"compound 6 [WO2022133588]"	""	"Synthetic organic"	""	""	""	""	"479821383"	"156023316"	""	""	""	""	""	""	""	"[(3S)-3-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-2-oxo-4-[(3S)-2-oxopiperidin-3-yl]butyl] 2,6-bis(trifluoromethyl)benzoate"	""	"compound 15h [PMID: 34242027]"	"CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)C2=C(C=CC=C2C(F)(F)F)C(F)(F)F)NC(=O)C3=CC4=C(N3)C=CC=C4OC"	"PKJWLVLOGHATRZ-NWVWQQAFSA-N"	"InChI=1S/C34H36F6N4O7/c1-17(2)13-24(44-31(48)25-15-19-22(42-25)10-5-11-27(19)50-3)30(47)43-23(14-18-7-6-12-41-29(18)46)26(45)16-51-32(49)28-20(33(35,36)37)8-4-9-21(28)34(38,39)40/h4-5,8-11,15,17-18,23-24,42H,6-7,12-14,16H2,1-3H3,(H,41,46)(H,43,47)(H,44,48)/t18-,23-,24-/m0/s1"	""	""	""
"8706"	"compound 70 [PMID: 26161824]"	""	"Synthetic organic"	""	""	""	""	"252166906"	"46894021"	""	""	""	""	""	""	""	"5-[4-(4-cyanobut-1-yn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-4-(hydroxymethyl)-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide"	""	""	"N#CCCC#Cc1ccc(cc1)c1c(CO)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCOCC1"	"VQXIVPLXEIZJTH-UHFFFAOYSA-N"	"InChI=1S/C26H23Cl2N5O3/c27-20-9-10-23(22(28)16-20)33-25(19-7-5-18(6-8-19)4-2-1-3-11-29)21(17-34)24(30-33)26(35)31-32-12-14-36-15-13-32/h5-10,16,34H,1,3,12-15,17H2,(H,31,35)"	""	""	""
"11203"	"compound 71 [WO2018191577A1]"	""	"Synthetic organic"	""	""	""	""	"434122263"	"135355847"	""	""	""	""	""	""	""	"1-tert-butyl-N-[8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]triazole-4-carboxamide"	""	""	"Cn1ncc(c1)Nc1nccc(n1)c1ccc2c(c1)CN(CCC2NC(=O)c1nnn(c1)C(C)(C)C)C1COC1"	"JSAQBOQCZJHWMA-UHFFFAOYSA-N"	"InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)"	"yes"	""	""
"8166"	"compound 72 [WO2013026806]"	""	"Synthetic organic"	""	""	""	""	"249565846"	"71529770"	""	""	"CHEMBL2386762"	""	""	""	""	"methyl 9-(4-chloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate"	""	"compound 8c [PMID 25264830]|EHT 5372"	"COC(=N)c1nc2c(s1)c1c(ncnc1cc2)Nc1ccc(cc1)Cl"	"BGXZIBSLBRKDTP-UHFFFAOYSA-N"	"InChI=1S/C17H12ClN5OS/c1-24-15(19)17-23-12-7-6-11-13(14(12)25-17)16(21-8-20-11)22-10-4-2-9(18)3-5-10/h2-8,19H,1H3,(H,20,21,22)"	""	""	""
"13834"	"compound 73 [PMID: 40167442]"	""	"Synthetic organic"	""	""	""	""	"513757519"	"175670495"	""	""	""	""	""	""	""	"(S)-2-((6-((4-(3,3-Difluorocyclobutyl)-2-fluorobenzyl)oxy)-3′,6′-dihydro-[2,4′-bipyridin]-1′(2′H)-yl)methyl)-3-(oxetan-2-ylmethyl)-3H-imidazo[4,5-b]pyridine-5-carboxylic acid"	""	""	"FC1(CC(C1)C2=CC(=C(COC3=CC=CC(=N3)C=4CCN(CC4)CC5=NC=6C(=NC(=CC6)C(=O)O)N5C[C@H]7OCC7)C=C2)F)F"	"SVEGIYLJVZUYOB-DEOSSOPVSA-N"	"InChI=1S/C33H32F3N5O4/c34-25-14-21(23-15-33(35,36)16-23)4-5-22(25)19-45-30-3-1-2-26(38-30)20-8-11-40(12-9-20)18-29-37-27-6-7-28(32(42)43)39-31(27)41(29)17-24-10-13-44-24/h1-8,14,23-24H,9-13,15-19H2,(H,42,43)/t24-/m0/s1"	""	""	""
"9145"	"compound 74a [PMID: 27077528]"	""	"Synthetic organic"	""	""	""	""	"315661230"	"121231401"	""	""	""	""	""	""	""	"(1R,3r)-3-(4-tert-butylpyridin-2-yl)-3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methylcyclobutan-1-ol"	""	""	"O[C@@H]([C@@]1(C[C@](C1)(C)O)c1nccc(c1)C(C)(C)C)c1ccccn1"	"CWNBNHVIRBCANH-RLLQIKCJSA-N"	"InChI=1S/C20H26N2O2/c1-18(2,3)14-8-10-22-16(11-14)20(12-19(4,24)13-20)17(23)15-7-5-6-9-21-15/h5-11,17,23-24H,12-13H2,1-4H3/t17-,19-,20+/m1/s1"	""	""	""
"2982"	"compound 74 [PMID: 1656041]"	""	"Synthetic organic"	""	""	""	""	"135649774"	"56947044"	""	""	""	""	""	""	""	"(3R,6E)-7-[6-tert-butyl-4-(4-fluorophenyl)-2-(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoate"	""	""	"O[C@H](CC(/C=C/c1c(nc(cc1c1ccc(cc1)F)C(C)(C)C)C(C)C)O)CC(=O)[O-]"	"SRKGZXIJDGWVAI-GVAVTCRGSA-M"	"InChI=1S/C25H32FNO4/c1-15(2)24-20(11-10-18(28)12-19(29)13-23(30)31)21(14-22(27-24)25(3,4)5)16-6-8-17(26)9-7-16/h6-11,14-15,18-19,28-29H,12-13H2,1-5H3,(H,30,31)/p-1/b11-10+/t18?,19-/m1/s1"	""	""	""
"8219"	"compound 74 [PMID: 24793884]"	""	"Synthetic organic"	""	""	""	""	"249565899"	"76072859"	""	""	"CHEMBL3261514"	""	""	""	""	"2-(2-aminopyrimidin-4-yl)-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxamide"	""	""	"Clc1ccc(c(c1)Cl)c1nc(sc1C(=O)N)c1ccnc(n1)N"	"CQNCHLJHIGRPDA-UHFFFAOYSA-N"	"InChI=1S/C14H9Cl2N5OS/c15-6-1-2-7(8(16)5-6)10-11(12(17)22)23-13(21-10)9-3-4-19-14(18)20-9/h1-5H,(H2,17,22)(H2,18,19,20)"	""	""	""
"9609"	"compound 76 [PMID: 28657314]"	""	"Synthetic organic"	""	""	""	""	"340590239"	"129320517"	""	""	""	""	""	""	""	"ethyl 3-[8-({4-methyl-5-[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)octanamido]benzoate"	""	""	"CCOC(=O)c1cccc(c1)NC(=O)CCCCCCCSc1nnc(n1C)Cc1nn(C)c(=O)c2c1cccc2"	"GWNFQAKCJYEJEW-UHFFFAOYSA-N"	"InChI=1S/C30H36N6O4S/c1-4-40-29(39)21-13-12-14-22(19-21)31-27(37)17-8-6-5-7-11-18-41-30-33-32-26(35(30)2)20-25-23-15-9-10-16-24(23)28(38)36(3)34-25/h9-10,12-16,19H,4-8,11,17-18,20H2,1-3H3,(H,31,37)"	"yes"	""	""
"12906"	"compound 77A [PMID: 37639383]"	""	"Synthetic organic"	""	""	""	""	"485206027"	"118694559"	""	""	""	""	""	""	""	"(2-methoxyphenyl)methyl (4S)-4-(6-chloropyridin-3-yl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate"	""	"BDM-71589|BDM71589"	"COC1=C(C=CC=C1)COC(=O)C=2[C@@H](CC(N(C2C)C[C@@H]3OCCC3)=O)C=4C=NC(=CC4)Cl"	"AARPMDPNSORGBN-UXHICEINSA-N"	"InChI=1S/C25H27ClN2O5/c1-16-24(25(30)33-15-18-6-3-4-8-21(18)31-2)20(17-9-10-22(26)27-13-17)12-23(29)28(16)14-19-7-5-11-32-19/h3-4,6,8-10,13,19-20H,5,7,11-12,14-15H2,1-2H3/t19-,20+/m1/s1"	""	""	""
"8217"	"compound 77 [PMID: 24793884]"	""	"Synthetic organic"	""	""	""	""	"249565897"	"90643548"	""	""	"CHEMBL3261517"	""	""	""	""	"2-(2-aminopyrimidin-4-yl)-4-(2-chloro-4-methoxyphenyl)-1,3-thiazole-5-carboxamide"	""	""	"COc1ccc(c(c1)Cl)c1nc(sc1C(=O)N)c1ccnc(n1)N"	"VCUXVXLUOHDHKK-UHFFFAOYSA-N"	"InChI=1S/C15H12ClN5O2S/c1-23-7-2-3-8(9(16)6-7)11-12(13(17)22)24-14(21-11)10-4-5-19-15(18)20-10/h2-6H,1H3,(H2,17,22)(H2,18,19,20)"	""	""	""
"13559"	"Compound 780A"	""	"Synthetic organic"	""	""	""	""	"500839969"	"59395852"	""	""	""	""	""	""	""	"3-Butyl-8-chloro-1-(3-{5-[(4-fluorophenyl)methyl]-2H-tetrazol-2-yl}propyl)-3,7-dihydro-1H-purine-2,6-dione"	""	"example 49 [WO2007017262A1]"	"C(CCC)N1C(N(C(C=2NC(=NC12)Cl)=O)CCCN3N=C(N=N3)CC4=CC=C(C=C4)F)=O"	"VEEPFOJGVUXDRX-UHFFFAOYSA-N"	"InChI=1S/C20H22ClFN8O2/c1-2-3-9-28-17-16(23-19(21)24-17)18(31)29(20(28)32)10-4-11-30-26-15(25-27-30)12-13-5-7-14(22)8-6-13/h5-8H,2-4,9-12H2,1H3,(H,23,24)"	""	""	""
"8840"	"compound 7a [PMID: 24884590]"	""	"Synthetic organic"	""	""	""	""	"252827497"	"44623954"	""	""	"CHEMBL3299119"	""	""	""	""	"N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide"	""	""	"OCCNC(=O)c1cccc(c1)c1cccc2c1cc(o2)Cc1cccc(c1)C(F)(F)F"	"LBKIJSKRXVUWER-UHFFFAOYSA-N"	"InChI=1S/C25H20F3NO3/c26-25(27,28)19-7-1-4-16(12-19)13-20-15-22-21(8-3-9-23(22)32-20)17-5-2-6-18(14-17)24(31)29-10-11-30/h1-9,12,14-15,30H,10-11,13H2,(H,29,31)"	""	""	""
"11917"	"compound 7a [PMID: 33730669]"	""	"Synthetic organic"	""	""	""	""	"461663472"	"135721976"	""	""	""	""	""	""	""	""	""	""	"Clc1c(cccc1)c1nn2c(NC3=C(C(=O)CCC3)C2c2ccc(cc2)O)n1"	"USSMQJUVPNGHNK-UHFFFAOYSA-N"	"InChI=1S/C21H17ClN4O2/c22-15-5-2-1-4-14(15)20-24-21-23-16-6-3-7-17(28)18(16)19(26(21)25-20)12-8-10-13(27)11-9-12/h1-2,4-5,8-11,19,27H,3,6-7H2,(H,23,24,25)"	""	""	""
"8850"	"compound 7b [Haftchenary <i>et al.</i>, 2013]"	""	"Synthetic organic"	""	""	""	""	"252827507"	"56680468"	""	""	"CHEMBL1829872"	""	""	""	""	"4-[(4-cyclohexylphenyl)methyl-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]acetyl]amino]-2-hydroxybenzoic acid"	""	""	"O=C(N(c1ccc(c(c1)O)C(=O)O)Cc1ccc(cc1)C1CCCCC1)CN(S(=O)(=O)c1cccc2c1cccc2N(C)C)C"	"JOFDSYLCZIHGGO-UHFFFAOYSA-N"	"InChI=1S/C35H39N3O6S/c1-36(2)31-13-7-12-29-28(31)11-8-14-33(29)45(43,44)37(3)23-34(40)38(27-19-20-30(35(41)42)32(39)21-27)22-24-15-17-26(18-16-24)25-9-5-4-6-10-25/h7-8,11-21,25,39H,4-6,9-10,22-23H2,1-3H3,(H,41,42)"	""	""	""
"8828"	"compound 7b [PMID: 17583500]"	""	"Synthetic organic"	""	""	""	""	"252827485"	"44433047"	""	""	"CHEMBL391935"	""	""	""	""	"N-[2-(2-chlorophenyl)ethyl]-4-[[3-(2-methylphenyl)piperidin-1-yl]methyl]-N-pyrrolidin-3-ylbenzamide"	""	""	"O=C(N(C1CNCC1)CCc1ccccc1Cl)c1ccc(cc1)CN1CCCC(C1)c1ccccc1C"	"PHVXTQIROLEEDB-UHFFFAOYSA-N"	"InChI=1S/C32H38ClN3O/c1-24-7-2-4-10-30(24)28-9-6-19-35(23-28)22-25-12-14-27(15-13-25)32(37)36(29-16-18-34-21-29)20-17-26-8-3-5-11-31(26)33/h2-5,7-8,10-15,28-29,34H,6,9,16-23H2,1H3"	""	""	""
"3067"	"compound 7 [Brinkman <i>et al</i>., 1996]"	""	"Synthetic organic"	""	""	""	""	"135649981"	"9905541"	""	""	"CHEMBL82991"	""	""	""	""	"benzyl(2-{4-[(E)-2-phenylethenyl]phenoxy}ethyl)amine"	""	""	"C(NCc1ccccc1)COc1ccc(cc1)/C=C/c1ccccc1"	"JULVVHLOSOWTHY-VAWYXSNFSA-N"	"InChI=1S/C23H23NO/c1-3-7-20(8-4-1)11-12-21-13-15-23(16-14-21)25-18-17-24-19-22-9-5-2-6-10-22/h1-16,24H,17-19H2/b12-11+"	""	""	""
"9931"	"compound 7c [PMID: 22041175]"	""	"Synthetic organic"	""	""	""	""	"363894225"	"51035721"	""	""	"CHEMBL1962788"	""	""	""	""	"10-benzyl-2-(2-chlorophenyl)-7,8,9,11-tetrahydro-3H-pyrazolo[4,5]pyrido[5,6-a][1,4]diazepine-1,5-dione"	""	""	"Clc1ccccc1n1[nH]c2c(c1=O)c1CN(CCCn1c(=O)c2)Cc1ccccc1"	"DISVMXDWAMMVLT-UHFFFAOYSA-N"	"InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2"	"yes"	""	""
"14083"	"compound 7c [PMID: 36414390]"	""	"Synthetic organic"	""	""	""	""	"518520710"	"166642480"	""	""	"CHEMBL5272822"	""	""	""	""	"ethyl 4-[4-[(hydroxyamino)methylideneamino]phenyl]butanoate"	""	""	"O=C(OCC)CCCC1=CC=C(NC=NO)C=C1"	"HJEKWTVRPSQJRV-UHFFFAOYSA-N"	"InChI=1S/C13H18N2O3/c1-2-18-13(16)5-3-4-11-6-8-12(9-7-11)14-10-15-17/h6-10,17H,2-5H2,1H3,(H,14,15)"	""	""	""
"7056"	"compound 7d [PMID: 19111466]"	""	"Synthetic organic"	""	""	""	""	"178103635"	"16661454"	""	""	"CHEMBL518957"	""	""	""	""	"N-hydroxy-4-[[(2R)-3-oxo-2-(thiophen-2-ylmethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide"	""	""	"ONC(=O)c1ccc(cc1)CN1[C@H](Cc2cccs2)C(=O)Nc2c1cccc2"	"HBEDNENASUYMPO-LJQANCHMSA-N"	"InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m1/s1"	""	""	""
"8304"	"compound 7d [PMID: 25703523]"	""	"Synthetic organic"	""	""	""	""	"252166516"	"90684387"	""	""	""	""	""	""	""	"6-(5-bromo-2-methoxyphenyl)-7H-purin-2-amine"	""	""	"COc1ccc(cc1c1nc(N)nc2c1[nH]cn2)Br"	"KDNVOUMYSICLPF-UHFFFAOYSA-N"	"InChI=1S/C12H10BrN5O/c1-19-8-3-2-6(13)4-7(8)9-10-11(16-5-15-10)18-12(14)17-9/h2-5H,1H3,(H3,14,15,16,17,18)"	""	""	""
"9937"	"compound 7d [PMID: 29672049]"	""	"Synthetic organic"	""	""	""	""	"363894231"	"133081975"	""	""	""	""	""	""	""	"9-cyclopentyl-N6-[4-(morpholin-4-ylmethyl)phenyl]-N2-[(1r,4r)-4-aminocyclohexyl]-9H-purine-2,6-diamine"	""	""	"N[C@@H]1CC[C@H](CC1)Nc1nc(Nc2ccc(cc2)CN2CCOCC2)c2c(n1)n(cn2)C1CCCC1"	"SAEGVASGMTZGFI-AQYVVDRMSA-N"	"InChI=1S/C27H38N8O/c28-20-7-11-22(12-8-20)31-27-32-25(24-26(33-27)35(18-29-24)23-3-1-2-4-23)30-21-9-5-19(6-10-21)17-34-13-15-36-16-14-34/h5-6,9-10,18,20,22-23H,1-4,7-8,11-17,28H2,(H2,30,31,32,33)/t20-,22-"	"yes"	""	""
"11767"	"compound 7d [PMID: 34528437]"	""	"Synthetic organic"	""	""	""	""	"458923802"	"156907341"	""	""	""	""	""	""	""	"5-Chloropyridin-3-yl 1-allyl-1H-indole-4-carboxylate"	""	""	"C=CCn1ccc2c1cccc2C(=O)Oc1cc(Cl)cnc1"	"XBVPAGLILYEOGS-UHFFFAOYSA-N"	"InChI=1S/C17H13ClN2O2/c1-2-7-20-8-6-14-15(4-3-5-16(14)20)17(21)22-13-9-12(18)10-19-11-13/h2-6,8-11H,1,7H2"	""	""	""
"5515"	"compound 7e [PMID: 21571530]"	""	"Synthetic organic"	""	""	""	""	"178102159"	"73755126"	""	""	""	""	""	""	""	"N-(4-{5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl}butyl)-4-(1,8-naphthyridin-2-yl)butanamide"	""	""	"O=C(NCCCCc1nnc(o1)c1ccc(c(c1)Cl)OC(F)(F)F)CCCc1ccc2c(n1)nccc2"	"RCSBCWXPGSPJNF-UHFFFAOYSA-N"	"InChI=1S/C25H23ClF3N5O3/c26-19-15-17(10-12-20(19)37-25(27,28)29)24-34-33-22(36-24)8-1-2-13-30-21(35)7-3-6-18-11-9-16-5-4-14-31-23(16)32-18/h4-5,9-12,14-15H,1-3,6-8,13H2,(H,30,35)"	""	""	""
"9794"	"compound 7f [PMID: 29191554]"	""	"Synthetic organic"	""	""	""	""	"354702266"	"86672192"	""	""	""	""	""	""	""	"2-amino-4-[(1R)-1-{[(3Z,6R)-6-[(5-chloro-2-methoxyphenyl)methyl]-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carbonyl]amino}propyl]benzoic acid"	""	"example 32 [WO2011078413]"	"CC[C@H](c1ccc(c(c1)N)C(=O)O)NC(=O)N1C/C(=N/Oc2ccccc2)/NC[C@H](C1=O)Cc1cc(Cl)ccc1OC"	"LHASZEBEQGPCFM-CJFMBICVSA-N"	"InChI=1S/C30H32ClN5O6/c1-3-25(18-9-11-23(29(38)39)24(32)15-18)34-30(40)36-17-27(35-42-22-7-5-4-6-8-22)33-16-20(28(36)37)13-19-14-21(31)10-12-26(19)41-2/h4-12,14-15,20,25H,3,13,16-17,32H2,1-2H3,(H,33,35)(H,34,40)(H,38,39)/t20-,25-/m1/s1"	"yes"	""	""
"9780"	"compound 7f [PMID: 29283260]"	""	"Synthetic organic"	""	""	""	""	"354702253"	"118165440"	""	""	""	""	""	""	""	"1-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(4-chlorophenyl)ethyl]-N-(2-methylpropyl)piperidin-4-amine"	""	""	"CC(CN(C1CCN(CC1)c1[nH]nc(n1)N)CCc1ccc(cc1)Cl)C"	"BADSWYIEDNZIEB-UHFFFAOYSA-N"	"InChI=1S/C19H29ClN6/c1-14(2)13-26(10-7-15-3-5-16(20)6-4-15)17-8-11-25(12-9-17)19-22-18(21)23-24-19/h3-6,14,17H,7-13H2,1-2H3,(H3,21,22,23,24)"	"yes"	""	""
"10523"	"compound 7f [PMID: 31251063]"	""	"Synthetic organic"	""	""	""	""	"387065605"	"139593560"	""	""	""	""	""	""	""	"N-(2,5-Dioxopyrrolidin-3-yl)cinnamamide"	""	""	"O=C(NC1CC(=O)NC1=O)/C=C/c1ccccc1"	"NSEUGMATEWSNTO-VOTSOKGWSA-N"	"InChI=1S/C13H12N2O3/c16-11(7-6-9-4-2-1-3-5-9)14-10-8-12(17)15-13(10)18/h1-7,10H,8H2,(H,14,16)(H,15,17,18)/b7-6+"	""	""	""
"8164"	"compound 7k [PMID: 23521020]"	""	"Synthetic organic"	""	""	""	""	"249565844"	"71624791"	""	""	"CHEMBL2336037"	""	""	""	""	"N-(3-chlorophenyl)-4-methyl-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide"	""	""	"Clc1cccc(c1)NC(=O)c1ccc(c(c1)C#Cc1cnc2n(c1)ncc2)C"	"PSBGROLQRNSAMY-UHFFFAOYSA-N"	"InChI=1S/C22H15ClN4O/c1-15-5-7-18(22(28)26-20-4-2-3-19(23)12-20)11-17(15)8-6-16-13-24-21-9-10-25-27(21)14-16/h2-5,7,9-14H,1H3,(H,26,28)"	""	""	""
"14462"	"compound 7k [PMID: 41906311]"	""	"Synthetic organic"	""	""	""	""	"528429783"	"178244816"	""	""	""	""	""	""	""	""	""	""	"CC1=CC=CC2=C1N=C(N)N2CC(=O)NC3=C(Cl)C=C(Cl)C=C3Cl"	"ZTQLJQKXRDDICG-UHFFFAOYSA-N"	"InChI=1S/C16H13Cl3N4O/c1-8-3-2-4-12-14(8)22-16(20)23(12)7-13(24)21-15-10(18)5-9(17)6-11(15)19/h2-6H,7H2,1H3,(H2,20,22)(H,21,24)"	""	""	""
"12485"	"compound 7 [Nguyen <i>et al.</i>, 2023]"	""	"Synthetic organic"	""	""	""	""	"479821275"	"146448902"	""	""	""	""	""	""	""	"3-methyl-8-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3,8-diazabicyclo[3.2.1]octan-2-one"	""	""	"CN1C(C2CCC(C1)N2C=3N=CC4=C(N3)C(=NN4)C=5C=NN(C5)C)=O"	"CAWDXLYWGCKCLD-UHFFFAOYSA-N"	"InChI=1S/C16H18N8O/c1-22-8-10-3-4-12(15(22)25)24(10)16-17-6-11-14(19-16)13(21-20-11)9-5-18-23(2)7-9/h5-7,10,12H,3-4,8H2,1-2H3,(H,20,21)"	""	""	""
"3079"	"compound 7 [PMID: 18754614]"	""	"Synthetic organic"	""	""	""	""	"135649723"	"44569287"	""	""	"CHEMBL460133"	""	""	""	""	"3-[4-(5-bromothiophen-2-yl)phenyl]-octahydropyrido[2,1-c]morpholin-3-ol"	""	""	"Brc1ccc(s1)c1ccc(cc1)C1(O)OCC2N(C1)CCCC2"	"NQOYZHHHGSRJGT-UHFFFAOYSA-N"	"InChI=1S/C18H20BrNO2S/c19-17-9-8-16(23-17)13-4-6-14(7-5-13)18(21)12-20-10-2-1-3-15(20)11-22-18/h4-9,15,21H,1-3,10-12H2"	""	""	""
"6232"	"compound 7 [PMID: 20638279]"	""	"Synthetic organic"	""	""	""	""	"178102853"	"42645487"	""	""	"CHEMBL1830693"	""	""	""	""	"N-[4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine"	""	"compound 7 [PMID: 20180624]"	"c1ccc(nc1)Nc1scc(n1)c1c[nH]nc1"	"WIILZWDTWZFGNO-UHFFFAOYSA-N"	"InChI=1S/C11H9N5S/c1-2-4-12-10(3-1)16-11-15-9(7-17-11)8-5-13-14-6-8/h1-7H,(H,13,14)(H,12,15,16)"	""	""	""
"8785"	"compound 7 [PMID: 21334791]"	""	"Synthetic organic"	""	""	""	""	"252827443"	"24849532"	""	""	"CHEMBL499124"	""	""	""	""	"4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol"	""	""	"Oc1ccc(c(c1)O)CCc1ccc(cc1O)O"	"WKIFTWPZTZUMRN-UHFFFAOYSA-N"	"InChI=1S/C14H14O4/c15-11-5-3-9(13(17)7-11)1-2-10-4-6-12(16)8-14(10)18/h3-8,15-18H,1-2H2"	""	""	""
"8172"	"compound 7 [PMID: 22464456]"	""	"Synthetic organic"	""	""	""	""	"249565852"	"135566612"	""	""	"CHEMBL2017556"	""	""	""	""	"3-[(2Z)-2-[5-(difluoromethyl)-1,2-dihydrothieno[3,2-c]pyrazol-3-ylidene]indol-6-yl]pentan-3-ol"	""	"thienopyrazolylindole inhibitor 477"	"CCC(c1ccc2c(c1)[nH]c(c2)c1n[nH]c2c1sc(c2)C(F)F)(CC)O"	"CQZZZUNOWZUNNG-UHFFFAOYSA-N"	"InChI=1S/C19H19F2N3OS/c1-3-19(25,4-2)11-6-5-10-7-13(22-12(10)8-11)16-17-14(23-24-16)9-15(26-17)18(20)21/h5-9,18,22,25H,3-4H2,1-2H3,(H,23,24)"	""	""	""
"6713"	"compound 7 [PMID: 22533316]"	""	"Synthetic organic"	""	""	""	""	"178103324"	"10127223"	""	""	"CHEMBL2219824"	""	""	""	""	"4-(trifluoromethyl)phenyl N-methyl-N-{2-[(1r,4r)-4-{[ethyl(2-hydroxyethyl)amino]methyl}cyclohexyl]ethyl}carbamate"	""	""	"OCCN(C[C@@H]1CC[C@H](CC1)CCN(C(=O)Oc1ccc(cc1)C(F)(F)F)C)CC"	"MUXRZYNIEMIEAL-IYARVYRRSA-N"	"InChI=1S/C22H33F3N2O3/c1-3-27(14-15-28)16-18-6-4-17(5-7-18)12-13-26(2)21(29)30-20-10-8-19(9-11-20)22(23,24)25/h8-11,17-18,28H,3-7,12-16H2,1-2H3/t17-,18-"	""	""	""
"7531"	"compound 7 [PMID: 24825313]"	""	"Synthetic organic"	""	""	""	""	"187051832"	"75124306"	""	""	""	""	""	""	""	"5-(4-Hydroxyphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxopentanamide"	""	""	"COc1ccc2c(c1)c(CCNC(=O)CC(=O)CCc1ccc(cc1)O)c[nH]2"	"BPMOENJVOOOATO-UHFFFAOYSA-N"	"InChI=1S/C22H24N2O4/c1-28-19-8-9-21-20(13-19)16(14-24-21)10-11-23-22(27)12-18(26)7-4-15-2-5-17(25)6-3-15/h2-3,5-6,8-9,13-14,24-25H,4,7,10-12H2,1H3,(H,23,27)"	""	""	""
"8306"	"compound 7 [PMID: 25719566]"	""	"Synthetic organic"	""	""	""	""	"252166518"	"91827353"	""	""	""	""	""	""	""	""	""	""	"N#Cc1ccc(cc1)c1n(cnc1c1cnn(c1)C)CCn1nnc(c1)C"	"YPRKVQKJNRKXFN-UHFFFAOYSA-N"	"InChI=1S/C19H18N8/c1-14-11-27(24-23-14)8-7-26-13-21-18(17-10-22-25(2)12-17)19(26)16-5-3-15(9-20)4-6-16/h3-6,10-13H,7-8H2,1-2H3"	""	""	""
"3020"	"compound 7 [PMID: 2909732]"	""	"Synthetic organic"	""	""	""	""	"135649741"	"44303431"	""	""	"CHEMBL60053"	""	""	""	""	"(3R)-3-hydroxy-5-oxo-7-phenylheptanoic acid"	""	""	"O[C@@H](CC(=O)O)CC(=O)CCc1ccccc1"	"AOBNEADIHQEJLV-GFCCVEGCSA-N"	"InChI=1S/C13H16O4/c14-11(8-12(15)9-13(16)17)7-6-10-4-2-1-3-5-10/h1-5,12,15H,6-9H2,(H,16,17)/t12-/m1/s1"	""	""	""
"10450"	"compound 7 [PMID: 31381331]"	""	"Synthetic organic"	""	""	""	""	"385612210"	"139030528"	""	""	""	""	""	""	""	"(3S)-3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)-4-((1S,3R)-1-methyl-3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl)pyrrolidin-1-ium-1-yl)butanoate"	""	""	"[O-]C(=O)C[C@@H](c1cccc(c1)n1nc(cc1C)C)C[N@@+]1(C)CC[C@H](C1)CCc1ccc2c(n1)NCCC2"	"BXOSGYRJKCYDLH-YAYCEGLDSA-N"	"InChI=1S/C30H39N5O2/c1-21-16-22(2)34(33-21)28-8-4-6-25(17-28)26(18-29(36)37)20-35(3)15-13-23(19-35)9-11-27-12-10-24-7-5-14-31-30(24)32-27/h4,6,8,10,12,16-17,23,26H,5,7,9,11,13-15,18-20H2,1-3H3,(H-,31,32,36,37)/t23-,26-,35+/m1/s1"	"yes"	""	""
"10649"	"compound 7 [PMID: 31955578]"	""	"Synthetic organic"	""	""	""	""	"404859096"	"145996536"	""	""	""	""	""	""	""	"(S)-3-Methyl-4-(7-((R)-3-methylmorpholino)-2-(1H-pyrazol-3-yl)thiazolo[5,4-d]pyrimidin-5-yl)morpholine"	""	""	"C[C@@H]1COCCN1c1nc(nc2c1nc(s2)c1n[nH]cc1)N1CCOC[C@@H]1C"	"ZJXHODMMACVLQQ-NEPJUHHUSA-N"	"InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1"	""	""	""
"11374"	"compound 7 [PMID: 32302132]"	""	"Synthetic organic"	""	""	""	""	"440816743"	"154727580"	""	""	""	""	""	""	""	"8-(benzotriazol-1-ylamino)octanoic acid"	""	"8-[(1H-1,2,3-Benzotriazol-1-yl)amino]octanoic Acid"	"OC(=O)CCCCCCCNn1nnc2c1cccc2"	"XRQULSHHDALTQA-UHFFFAOYSA-N"	"InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)"	""	""	""
"11894"	"compound 7 [PMID: 34333981]"	""	"Synthetic organic"	""	""	""	""	"461663449"	"145900914"	""	""	""	""	""	""	""	"N-[3-[[5-bromo-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide"	""	""	"Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCCCNC(=O)C2CCC2)n1"	"PJLYZTYJSMPZHT-UHFFFAOYSA-N"	"InChI=1S/C18H23BrF3N7O/c1-11-14(9-29(28-11)10-18(20,21)22)26-17-25-8-13(19)15(27-17)23-6-3-7-24-16(30)12-4-2-5-12/h8-9,12H,2-7,10H2,1H3,(H,24,30)(H2,23,25,26,27)"	""	""	""
"12852"	"compound 7 [PMID: 37428122]"	""	"Synthetic organic"	""	""	""	""	"483123400"	"168433321"	""	""	""	""	""	""	""	"3-chloro-1-[(cyanomethyl)amino]-7-{1-[6-(difluoromethoxy)-2-methylpyridin-3-yl]ethyl}-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile"	""	""	"CC(N1CCC2=C(C1)C(NCC#N)=NC(Cl)=C2C#N)C3=C(C)N=C(OC(F)F)C=C3"	"ROHREYIOOKLOGX-UHFFFAOYSA-N"	"InChI=1S/C20H19ClF2N6O/c1-11-13(3-4-17(27-11)30-20(22)23)12(2)29-8-5-14-15(9-25)18(21)28-19(16(14)10-29)26-7-6-24/h3-4,12,20H,5,7-8,10H2,1-2H3,(H,26,28)"	""	""	""
"3100"	"compound 7 [PMID: 8496919]"	""	"Synthetic organic"	""	""	""	""	"135650866"	"10358175"	""	""	"CHEMBL290534"	""	""	""	""	"(pyridin-3-ylmethyl)[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]amine"	""	""	"C/C(=C\CNCc1cccnc1)/CC/C=C(/CCC=C(C)C)\C"	"LOBKJLMNXXPMNQ-OPBVARBZSA-N"	"InChI=1S/C21H32N2/c1-18(2)8-5-9-19(3)10-6-11-20(4)13-15-23-17-21-12-7-14-22-16-21/h7-8,10,12-14,16,23H,5-6,9,11,15,17H2,1-4H3/b19-10+,20-13+"	""	""	""
"8795"	"compound 7p [PMID: 7861416]"	""	"Synthetic organic"	""	""	""	""	"252827453"	"44209343"	""	""	"CHEMBL159859"	""	""	""	""	"(Z)-6-[2-[2-(4-bromophenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid"	""	""	"OC(=O)CCC=CCC1COC(OC1c1cccnc1)C(Oc1ccc(cc1)Br)(C)C"	"HCFZUTSDEMKXQB-UHFFFAOYSA-N"	"InChI=1S/C24H28BrNO5/c1-24(2,31-20-12-10-19(25)11-13-20)23-29-16-18(7-4-3-5-9-21(27)28)22(30-23)17-8-6-14-26-15-17/h3-4,6,8,10-15,18,22-23H,5,7,9,16H2,1-2H3,(H,27,28)"	""	""	""
"8639"	"compound 7r [PMID: 26080733]"	""	"Synthetic organic"	""	""	""	""	"252166839"	"91827382"	""	""	""	""	""	""	""	"4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide"	""	""	"CCN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1ccc(c2)c1cccc(c1F)OC"	"ANMVTYAYYHHSTF-UHFFFAOYSA-N"	"InChI=1S/C27H28FN5O2/c1-3-32-13-15-33(16-14-32)20-10-7-18(8-11-20)27(34)29-26-22-12-9-19(17-23(22)30-31-26)21-5-4-6-24(35-2)25(21)28/h4-12,17H,3,13-16H2,1-2H3,(H2,29,30,31,34)"	""	""	""
"8633"	"compound 7u [PMID: 24775305]"	""	"Synthetic organic"	""	""	""	""	"252166833"	"90656796"	""	""	"CHEMBL3264590"	""	""	""	""	"[4-(3-ethoxyphenyl)phenyl]methyl (2S)-2-[[(1S)-3-amino-1-cyano-3-oxopropyl]carbamoyl]pyrrolidine-1-carboxylate"	""	""	"CCOc1cccc(c1)c1ccc(cc1)COC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C#N"	"BZVXYJWEOARYIS-UNMCSNQZSA-N"	"InChI=1S/C25H28N4O5/c1-2-33-21-6-3-5-19(13-21)18-10-8-17(9-11-18)16-34-25(32)29-12-4-7-22(29)24(31)28-20(15-26)14-23(27)30/h3,5-6,8-11,13,20,22H,2,4,7,12,14,16H2,1H3,(H2,27,30)(H,28,31)/t20-,22-/m0/s1"	""	""	""
"8085"	"compound 7 [WO2012007375]"	""	"Synthetic organic"	""	""	""	""	"249565765"	"58056092"	""	""	""	""	""	""	""	"2-[(2-aminoethyl)(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide"	""	""	"NCCN(c1ncc2c(n1)c(cs2)C(=O)Nc1cc2cccnc2cc1OC)C"	"BUJSZRICYLPWCM-UHFFFAOYSA-N"	"InChI=1S/C20H20N6O2S/c1-26(7-5-21)20-23-10-17-18(25-20)13(11-29-17)19(27)24-15-8-12-4-3-6-22-14(12)9-16(15)28-2/h3-4,6,8-11H,5,7,21H2,1-2H3,(H,24,27)"	"yes"	""	""
"14506"	"compound 7 [WO2020160054]"	""	"Synthetic organic"	""	""	""	""	"528429827"	"154666617"	""	""	""	""	""	""	""	"3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl-[3-(dimethylamino)propyl]amino]-4-(heptadecylamino)cyclobut-3-ene-1,2-dione"	""	""	"CCCCCCCCCCCCCCCCCNC1=C(C(=O)C1=O)N(CCCCON2C(=NC3=C2C4=CC=CC=C4N=C3N)CCCC)CCCN(C)C"	"QCDHMRIADDJSDR-UHFFFAOYSA-N"	"InChI=1S/C44H71N7O3/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-23-30-46-38-41(43(53)42(38)52)50(33-26-31-49(3)4)32-24-25-34-54-51-37(29-8-6-2)48-39-40(51)35-27-21-22-28-36(35)47-44(39)45/h21-22,27-28,46H,5-20,23-26,29-34H2,1-4H3,(H2,45,47)"	"yes"	""	""
"8805"	"compound 82 [PMID: 21332118]"	""	"Synthetic organic"	""	""	""	""	"252827463"	"50990924"	""	""	"CHEMBL1615189"	""	""	""	""	"N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]pyridin-3-yl]-1,3-benzothiazol-2-yl]acetamide"	""	""	"CC(=O)Nc1nc2c(s1)cc(cc2)c1cnc(c(c1)NS(=O)(=O)c1ccc(cc1)F)Cl"	"YGBMCLDVRUGXOV-UHFFFAOYSA-N"	"InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)"	""	""	""
"9742"	"compound 83 [PMID: 23888932]"	""	"Synthetic organic"	""	""	""	""	"354702215"	"73294508"	""	""	"CHEMBL2425821"	""	""	""	""	"6-bromo-8-[(2,6-difluoro-4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid"	""	""	"COc1cc(F)c(c(c1)F)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(=O)O"	"GDUANFXPOZTYKS-UHFFFAOYSA-N"	"InChI=1S/C18H10BrF2NO6/c1-27-8-4-10(20)15(11(21)5-8)17(24)22-12-3-7(19)2-9-13(23)6-14(18(25)26)28-16(9)12/h2-6H,1H3,(H,22,24)(H,25,26)"	""	""	""
"13378"	"compound 84 [PMID: 38753594]"	""	"Synthetic organic"	""	""	""	""	"496703348"	"171663345"	""	""	""	""	""	""	""	"N-{2-[(6S)-6-benzyl-14-chloro-9-cyano-8-methyl-7-oxo-3,4,5,6,7,8,9,10-octahydro-2H-1,5,8,9-benzoxatriazacyclododecin-5-yl]-2-oxoethyl}thiophene-2-carboxamide"	""	""	"CN1N(CC2=C(OCCCN([C@@H](CC3=CC=CC=C3)C1=O)C(=O)CNC(=O)C4=CC=CS4)C(Cl)=CC=C2)C#N"	"IBQXXYZTUWXAPY-QHCPKHFHSA-N"	"InChI=1S/C28H28ClN5O4S/c1-32-28(37)23(16-20-8-3-2-4-9-20)34(25(35)17-31-27(36)24-12-6-15-39-24)13-7-14-38-26-21(18-33(32)19-30)10-5-11-22(26)29/h2-6,8-12,15,23H,7,13-14,16-18H2,1H3,(H,31,36)/t23-/m0/s1"	""	""	""
"9251"	"compound 86 [PMID: 26982234]"	""	"Synthetic organic"	""	""	""	""	"315661326"	"121231415"	""	""	""	""	""	""	""	"5-({3-[4-(morpholin-4-yl)benzamido]phenyl}methoxy)pyridine-3-carboxamide"	""	""	"O=C(c1ccc(cc1)N1CCOCC1)Nc1cccc(c1)COc1cncc(c1)C(=O)N"	"VKLKXFOZNHEBSW-UHFFFAOYSA-N"	"InChI=1S/C24H24N4O4/c25-23(29)19-13-22(15-26-14-19)32-16-17-2-1-3-20(12-17)27-24(30)18-4-6-21(7-5-18)28-8-10-31-11-9-28/h1-7,12-15H,8-11,16H2,(H2,25,29)(H,27,30)"	""	""	""
"9934"	"compound 87 [PMID: 20942471]"	""	"Synthetic organic"	""	""	""	""	"363894228"	"49836405"	""	""	""	""	""	""	""	"2-(2-chlorophenyl)-5-[(1-methylpyrazol-3-yl)methyl]-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione"	""	""	"CN(Cc1n(Cc2ccn(n2)C)c(=O)cc2c1c(=O)n([nH]2)c1ccccc1Cl)Cc1cccnc1"	"QEBYEVQKHRUYPE-UHFFFAOYSA-N"	"InChI=1S/C25H24ClN7O2/c1-30(14-17-6-5-10-27-13-17)16-22-24-20(12-23(34)32(22)15-18-9-11-31(2)28-18)29-33(25(24)35)21-8-4-3-7-19(21)26/h3-13,29H,14-16H2,1-2H3"	""	""	""
"8114"	"compound 89S [PMID: 19115845]"	""	"Synthetic organic"	""	""	""	""	"249565794"	"16757525"	""	""	"CHEMBL524266"	""	""	""	""	"(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one"	""	""	"FCC[C@H]1CNC(=O)c2c1[nH]c(c2)c1ccnc(n1)N"	"LCBAQTCTQXHTJG-ZETCQYMHSA-N"	"InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)/t7-/m0/s1"	""	""	""
"7891"	"compound 8a [PMID: 22861813]"	""	"Synthetic organic"	""	""	""	""	"223366214"	"60182322"	""	""	"CHEMBL3145341"	""	""	""	""	"(3S)-3-[[2-(2-fluorophenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]-3-(2-methylphenyl)propanoic acid"	""	""	"OC(=O)C[C@@H](c1ccccc1C)NC(=O)c1[nH]n(c(=O)c1)c1ccccc1F"	"DGGLFHJMXJUSDG-HNNXBMFYSA-N"	"InChI=1S/C20H18FN3O4/c1-12-6-2-3-7-13(12)15(11-19(26)27)22-20(28)16-10-18(25)24(23-16)17-9-5-4-8-14(17)21/h2-10,15,23H,11H2,1H3,(H,22,28)(H,26,27)/t15-/m0/s1"	""	""	""
"8856"	"compound 8a [PMID: 23713581]"	""	"Synthetic organic"	""	""	""	""	"252827513"	"71734765"	""	""	"CHEMBL2396718"	""	""	""	""	"3-[2-(3-chlorophenyl)ethynyl]-6-hydroxy-2-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]-1-benzofuran-5-carboxylic acid"	""	""	"CCCNC(=O)COc1ccc(cc1)c1oc2c(c1C#Cc1cccc(c1)Cl)cc(c(c2)O)C(=O)O"	"ZAKVHDWXAFAMTH-UHFFFAOYSA-N"	"InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34)"	"yes"	""	""
"8503"	"compound 8a [PMID: 24900283]"	""	"Synthetic organic"	""	""	""	""	"252166711"	"56840673"	""	""	"CHEMBL2164575"	""	""	""	""	"6-(4-tert-butylphenyl)sulfonyl-7,8-dimethyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine"	""	""	"Cc1c(C)ccc2c1N(Cc1c(N2)nc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(C)(C)C"	"OAIVSBLLDFJYMS-UHFFFAOYSA-N"	"InChI=1S/C25H26F3N3O2S/c1-15-6-12-20-22(16(15)2)31(14-17-7-13-21(25(26,27)28)30-23(17)29-20)34(32,33)19-10-8-18(9-11-19)24(3,4)5/h6-13H,14H2,1-5H3,(H,29,30)"	""	""	""
"13121"	"compound 8a [PMID: 35500474]"	""	"Synthetic organic"	""	""	""	""	"491299903"	"166597670"	""	""	""	""	""	""	""	"6-(cyclohexylmethoxy)-1,2,3,4-tetrahydrophthalazine-1,4-dione"	""	""	"O=C1NNC(=O)C2=C1C=CC(OCC3CCCCC3)=C2"	"PCAWJIMDNGAMRA-UHFFFAOYSA-N"	"InChI=1S/C15H18N2O3/c18-14-12-7-6-11(8-13(12)15(19)17-16-14)20-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,18)(H,17,19)"	""	""	""
"11148"	"compound 8 [Avgoustou <i>et al</i>., 2020]"	""	"Synthetic organic"	""	""	""	""	"434122208"	"142473584"	""	""	""	""	""	""	""	"2,2-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide"	""	""	"CNCc1ccccc1CN(C(=O)C(C)(C)C)CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2c1cccn2"	"CKZLNCWDRQNNEQ-WJOKGBTCSA-N"	"InChI=1S/C31H35N5O3/c1-30(2,3)29(39)36(18-22-9-6-5-8-21(22)17-32-4)19-26(37)34-24-12-11-20-15-31(16-23(20)14-24)25-10-7-13-33-27(25)35-28(31)38/h5-14,32H,15-19H2,1-4H3,(H,34,37)(H,33,35,38)/t31-/m1/s1"	""	""	""
"11156"	"compound 8ay [PMID: 29589443]"	""	"Synthetic organic"	""	""	""	""	"434122216"	"154699451"	""	""	""	""	""	""	""	"5-chloro-2-methoxy-N-[4-({1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}oxy)phenyl]benzene-1-sulfonamide"	""	""	"CCCc1nnc2n1c1ccccc1nc2Oc1ccc(cc1)NS(=O)(=O)c1cc(Cl)ccc1OC"	"JTZBKOVVHITLRP-UHFFFAOYSA-N"	"InChI=1S/C25H22ClN5O4S/c1-3-6-23-28-29-24-25(27-19-7-4-5-8-20(19)31(23)24)35-18-12-10-17(11-13-18)30-36(32,33)22-15-16(26)9-14-21(22)34-2/h4-5,7-15,30H,3,6H2,1-2H3"	""	""	""
"2966"	"compound 8b [PMID: 1992138]"	""	"Synthetic organic"	""	""	""	""	"135649813"	"14229352"	""	""	"CHEMBL333258"	""	""	""	""	"(4R,6S)-6-[(E)-2-[6-chloro-4-(4-fluorophenyl)-2-(propan-2-yl)quinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one"	""	""	"O[C@H]1CC(=O)O[C@@H](C1)/C=C/c1c(nc2c(c1c1ccc(cc1)F)cc(cc2)Cl)C(C)C"	"FRJJJAKBRKABFA-TYFAACHXSA-N"	"InChI=1S/C25H23ClFNO3/c1-14(2)25-20(9-8-19-12-18(29)13-23(30)31-19)24(15-3-6-17(27)7-4-15)21-11-16(26)5-10-22(21)28-25/h3-11,14,18-19,29H,12-13H2,1-2H3/b9-8+/t18-,19-/m1/s1"	""	""	""
"9113"	"compound 8b [PMID: 22408719]"	""	"Synthetic organic"	""	""	""	""	"315661198"	"49789112"	""	""	"CHEMBL1715624"	""	""	""	""	"N-[4-[[5-(3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl)-2-methoxyphenyl]methylsulfanyl]phenyl]acetamide"	""	""	"COc1ccc(cc1CSc1ccc(cc1)NC(=O)C)C1Nc2cccc(c2C(=O)N1Cc1ccccc1)O"	"DWYMDWVNEIIEHC-UHFFFAOYSA-N"	"InChI=1S/C31H29N3O4S/c1-20(35)32-24-12-14-25(15-13-24)39-19-23-17-22(11-16-28(23)38-2)30-33-26-9-6-10-27(36)29(26)31(37)34(30)18-21-7-4-3-5-8-21/h3-17,30,33,36H,18-19H2,1-2H3,(H,32,35)"	""	""	""
"13946"	"compound 8b [PMID: 38522114]"	""	"Synthetic organic"	""	""	""	""	"513757631"	"171364452"	""	""	""	""	""	""	""	"N-[[1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl]methyl]-2-(4-benzylpiperidin-1-yl)acetamide"	""	""	"O=C(CN1CCC(CC2=CC=CC=C2)CC1)NCC3(CCN(CC4=CC=CC=C4)CC3)NC5=C6C=CC=CC6=CC=C5"	"PIDDSZPULSHXJF-UHFFFAOYSA-N"	"InChI=1S/C37H44N4O/c42-36(28-40-22-18-31(19-23-40)26-30-10-3-1-4-11-30)38-29-37(39-35-17-9-15-33-14-7-8-16-34(33)35)20-24-41(25-21-37)27-32-12-5-2-6-13-32/h1-17,31,39H,18-29H2,(H,38,42)"	""	""	""
"3066"	"compound 8 [Brinkman <i>et al</i>., 1996]"	""	"Synthetic organic"	""	""	""	""	"135649694"	"9820129"	""	""	"CHEMBL83546"	""	""	""	""	"(2-{4-[(E)-2-phenylethenyl]phenoxy}ethyl)(2-phenylpropyl)amine"	""	""	"CC(c1ccccc1)CNCCOc1ccc(cc1)/C=C/c1ccccc1"	"WNJQYWRTNXZZRC-OUKQBFOZSA-N"	"InChI=1S/C25H27NO/c1-21(24-10-6-3-7-11-24)20-26-18-19-27-25-16-14-23(15-17-25)13-12-22-8-4-2-5-9-22/h2-17,21,26H,18-20H2,1H3/b13-12+"	""	""	""
"9671"	"compound 8c [PMID: 28760529]"	""	"Synthetic organic"	""	""	""	""	"348353630"	"131801156"	""	""	""	""	""	""	""	"6-{[2-chloro-4-nitro-5-(oxan-4-yloxy)phenyl]amino}-3,4-dihydro-1H-quinolin-2-one"	""	""	"O=C1CCc2c(N1)ccc(c2)Nc1cc(OC2CCOCC2)c(cc1Cl)[N+](=O)[O-]"	"RRELDGDKULRRDM-UHFFFAOYSA-N"	"InChI=1S/C20H20ClN3O5/c21-15-10-18(24(26)27)19(29-14-5-7-28-8-6-14)11-17(15)22-13-2-3-16-12(9-13)1-4-20(25)23-16/h2-3,9-11,14,22H,1,4-8H2,(H,23,25)"	"yes"	""	""
"8659"	"compound 8d [PMID: 15027864]"	""	"Synthetic organic"	""	""	""	""	"252166859"	"10043679"	""	""	"CHEMBL297489"	""	""	""	""	"(2S)-2-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]pentanedioic acid"	""	""	"O=C(N[C@H](C(=O)O)CCC(=O)O)N[C@H](C(=O)O)Cc1ccc(cc1)O"	"QXWVJRPYHOYHHT-QWRGUYRKSA-N"	"InChI=1S/C15H18N2O8/c18-9-3-1-8(2-4-9)7-11(14(23)24)17-15(25)16-10(13(21)22)5-6-12(19)20/h1-4,10-11,18H,5-7H2,(H,19,20)(H,21,22)(H,23,24)(H2,16,17,25)/t10-,11-/m0/s1"	""	""	""
"7926"	"compound 8d [PMID: 24999562]"	""	"Peptide"	""	""	""	""	"249565609"	"91623352"	""	""	""	""	""	""	""	""	""	""	"NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc2c(c1)cccc2)NC(=O)CCc1cccnc1)Cc1ccccc1"	"HPJGEESDHAUUQR-SKGSPYGFSA-N"	"InChI=1S/C51H67N15O8/c52-42(67)29-38(44(53)69)64-45(70)36(15-7-23-59-50(54)55)62-48(73)41-17-9-25-66(41)49(74)37(16-8-24-60-51(56)57)63-47(72)40(27-31-10-2-1-3-11-31)65-46(71)39(61-43(68)21-19-32-12-6-22-58-30-32)28-33-18-20-34-13-4-5-14-35(34)26-33/h1-6,10-14,18,20,22,26,30,36-41H,7-9,15-17,19,21,23-25,27-29H2,(H2,52,67)(H2,53,69)(H,61,68)(H,62,73)(H,63,72)(H,64,70)(H,65,71)(H4,54,55,59)(H4,56,57,60)/t36-,37-,38-,39-,40-,41-/m0/s1"	""	""	""
"8780"	"compound 8e [PMID: 23044371]"	""	"Synthetic organic"	""	""	""	""	"252827438"	"71451488"	""	""	"CHEMBL2159857"	""	""	""	""	"[2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-phenylmethoxybenzoyl)amino]benzoate"	""	""	"Clc1ccc(cc1)C(=O)COC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)OCc1ccccc1"	"CYKYMBAFNWGXGM-UHFFFAOYSA-N"	"InChI=1S/C29H22ClNO5/c30-24-13-9-21(10-14-24)27(32)19-36-29(34)22-11-15-25(16-12-22)31-28(33)23-7-4-8-26(17-23)35-18-20-5-2-1-3-6-20/h1-17H,18-19H2,(H,31,33)"	""	""	""
"8137"	"compound 8e [PMID: 24432909]"	""	"Synthetic organic"	""	""	""	""	"249565817"	"72710568"	""	""	"CHEMBL3128069"	""	""	""	""	"(2R)-2-[5-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-3-yl]-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol"	""	""	"OC[C@](c1nc(c(s1)c1cnc(c(c1)O[C@@H](c1cc(F)ccc1n1nccn1)C)N)C)(O)C"	"DIXMBHMNEHPFCX-MCMMXHMISA-N"	"InChI=1S/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/m1/s1"	""	""	""
"5793"	"compound 8f [PMID: 20615702]"	""	"Synthetic organic"	""	""	""	""	"178102418"	"12003694"	""	""	"CHEMBL1208986"	""	""	""	""	"5-(2-methylpyrazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid"	""	""	"OC(=O)c1n[nH]c2c1CC(C2)c1ccnn1C"	"ZAJBYTSUTBCMRM-UHFFFAOYSA-N"	"InChI=1S/C11H12N4O2/c1-15-9(2-3-12-15)6-4-7-8(5-6)13-14-10(7)11(16)17/h2-3,6H,4-5H2,1H3,(H,13,14)(H,16,17)"	""	""	""
"5739"	"compound 8g [PMID: 21444206]"	""	"Synthetic organic"	""	""	""	""	"178102365"	"53630410"	""	""	"CHEMBL1773283"	""	""	""	""	"tert-butyl 4-{[1-(2-fluoro-4-methanesulfonylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}piperidine-1-carboxylate"	""	""	"O=C(N1CCC(CC1)Sc1ncnc2c1cnn2c1ccc(cc1F)S(=O)(=O)C)OC(C)(C)C"	"KRCCTTRJUJRZKA-UHFFFAOYSA-N"	"InChI=1S/C22H26FN5O4S2/c1-22(2,3)32-21(29)27-9-7-14(8-10-27)33-20-16-12-26-28(19(16)24-13-25-20)18-6-5-15(11-17(18)23)34(4,30)31/h5-6,11-14H,7-10H2,1-4H3"	""	""	""
"8170"	"compound 8h [PMID: 21561767]"	""	"Synthetic organic"	""	""	""	""	"249565850"	"46864270"	""	""	"CHEMBL1784637"	""	""	""	""	"5-[2-[5-[[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]ethynyl]-N,1-dimethylimidazole-2-carboxamide"	""	""	"OCCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc(n1C)C(=O)NC)C"	"SUXYGJZMCWKJJI-UHFFFAOYSA-N"	"InChI=1S/C30H33F3N6O3/c1-20-4-5-22(16-21(20)7-9-25-18-35-27(37(25)3)29(42)34-2)28(41)36-24-8-6-23(26(17-24)30(31,32)33)19-39-12-10-38(11-13-39)14-15-40/h4-6,8,16-18,40H,10-15,19H2,1-3H3,(H,34,42)(H,36,41)"	""	""	""
"8175"	"compound 8h [PMID: 22765894]"	""	"Synthetic organic"	""	""	""	""	"249565855"	"67161540"	""	""	"CHEMBL2086760"	""	""	""	""	"3-[(4-chlorophenyl)-(1H-imidazol-2-yl)methylidene]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-one"	""	""	"CCN1CCC(CC1)Nc1ccc2c(c1)C(=C(c1ncc[nH]1)c1ccc(cc1)Cl)C(=O)N2"	"XHCPCYVQXFHJAU-UHFFFAOYSA-N"	"InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32)"	""	""	""
"9478"	"compound 8ic [PMID: 19081254]"	""	"Synthetic organic"	""	""	""	""	"329968418"	"25141190"	""	""	"CHEMBL508207"	""	""	""	""	"N-cycloheptyl-6,7-dimethoxy-2-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-4-amine"	""	"CCR4 Antagonist"	"COc1cc2c(NC3CCCCCC3)nc(nc2cc1OC)N1CCC(CC1)N1CCCCC1"	"WYVBISCFCHREDA-UHFFFAOYSA-N"	"InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)"	"yes"	""	""
"9905"	"compound 8i [PMID: 22765894]"	""	"Synthetic organic"	""	""	""	""	"363894199"	"10433653"	""	""	"CHEMBL2087167"	""	""	""	""	"(3Z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(3-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-1H-indol-2-one"	""	""	"CCN1CCC(CC1)Nc1ccc2c(c1)/C(=C(/c1ncc([nH]1)C)\c1cccc(c1)F)/C(=O)N2"	"DMQYDVBIPXAAJA-VHXPQNKSSA-N"	"InChI=1S/C26H28FN5O/c1-3-32-11-9-19(10-12-32)30-20-7-8-22-21(14-20)24(26(33)31-22)23(25-28-15-16(2)29-25)17-5-4-6-18(27)13-17/h4-8,13-15,19,30H,3,9-12H2,1-2H3,(H,28,29)(H,31,33)/b24-23-"	""	""	""
"12171"	"compound 8l [PMID: 36053746]"	""	"Synthetic organic"	""	""	""	""	"472319293"	"165368933"	""	""	""	""	""	""	""	""	""	""	"Oc1c(Cl)cc(c2ccc3ncc4nc(C)n(C5CCN(C)CC5)c4c3c2)cc1Cl"	"JEESDVDVWGRNFE-UHFFFAOYSA-N"	"InChI=1S/C23H22Cl2N4O/c1-13-27-21-12-26-20-4-3-14(15-10-18(24)23(30)19(25)11-15)9-17(20)22(21)29(13)16-5-7-28(2)8-6-16/h3-4,9-12,16,30H,5-8H2,1-2H3"	""	""	""
"6448"	"compound 8 [PMID: 15482908]"	""	"Synthetic organic"	""	""	""	""	"178103064"	"10400683"	""	""	"CHEMBL187107"	""	""	""	""	"3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile"	""	""	"N#Cc1cc(F)cc(c1)n1nnc(n1)c1ccccn1"	"NNUSSUPIQZLYJW-UHFFFAOYSA-N"	"InChI=1S/C13H7FN6/c14-10-5-9(8-15)6-11(7-10)20-18-13(17-19-20)12-3-1-2-4-16-12/h1-7H"	""	""	""
"8763"	"compound 8 [PMID: 17480064]"	""	"Synthetic organic"	""	""	""	""	"252827421"	"11715767"	""	""	"CHEMBL225519"	""	""	""	""	"2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one"	""	"PHA-767491"	"O=C1NCCc2c1cc([nH]2)c1ccncc1"	"DKXHSOUZPMHNIZ-UHFFFAOYSA-N"	"InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)"	""	""	""
"8886"	"compound 8 [PMID: 17562362}"	""	"Synthetic organic"	""	""	""	""	"310264667"	"9863759"	""	""	"CHEMBL248247"	""	""	""	""	"2-[(6-chloro-7-methyl-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-methylsulfonylamino]acetic acid"	""	""	"OC(=O)CN(S(=O)(=O)C)c1c(Cl)c(C)cc2c1[nH]c(=O)c(=O)[nH]2"	"JQCXJCAKYWSWCH-UHFFFAOYSA-N"	"InChI=1S/C12H12ClN3O6S/c1-5-3-6-9(15-12(20)11(19)14-6)10(8(5)13)16(4-7(17)18)23(2,21)22/h3H,4H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)"	""	""	""
"3078"	"compound 8 [PMID: 18754614]"	""	"Synthetic organic"	""	""	""	""	"135649689"	"25108245"	""	""	"CHEMBL462257"	""	""	""	""	"2-[4-(1,3-benzothiazol-2-yl)phenyl]-4-methylmorpholin-2-ol"	""	""	"CN1CCOC(C1)(O)c1ccc(cc1)c1nc2c(s1)cccc2"	"PJEBUKBZVKAKLF-UHFFFAOYSA-N"	"InChI=1S/C18H18N2O2S/c1-20-10-11-22-18(21,12-20)14-8-6-13(7-9-14)17-19-15-4-2-3-5-16(15)23-17/h2-9,21H,10-12H2,1H3"	""	""	""
"3128"	"compound 8 [PMID: 19191557]"	""	"Synthetic organic"	""	""	""	""	"135649787"	"56947052"	""	""	"CHEMBL1205869"	""	""	""	""	"4-[3-(2-benzylphenoxy)phenyl]-1-phosphonatobutane-1-sulfonate"	""	""	"[O-]P(=O)(C(S(=O)(=O)[O-])CCCc1cccc(c1)Oc1ccccc1Cc1ccccc1)[O-]"	"ZMOCESLEEQXYRI-UHFFFAOYSA-K"	"InChI=1S/C23H25O7PS/c24-31(25,26)23(32(27,28)29)15-7-11-19-10-6-13-21(17-19)30-22-14-5-4-12-20(22)16-18-8-2-1-3-9-18/h1-6,8-10,12-14,17,23H,7,11,15-16H2,(H2,24,25,26)(H,27,28,29)/p-3"	""	""	""
"6436"	"compound 8 [PMID: 20598884]"	""	"Synthetic organic"	""	""	""	""	"178103052"	"46911384"	""	""	"CHEMBL1209201"	""	""	""	""	"3-cyano-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide"	""	""	"N#Cc1cc(F)cc(c1)C(=O)Nc1scc(n1)C"	"KTQZJPKEGPXLRL-UHFFFAOYSA-N"	"InChI=1S/C12H8FN3OS/c1-7-6-18-12(15-7)16-11(17)9-2-8(5-14)3-10(13)4-9/h2-4,6H,1H3,(H,15,16,17)"	""	""	""
"8491"	"compound 8 [PMID: 21692504]"	""	"Synthetic organic"	""	""	""	""	"252166699"	"661524"	""	""	"CHEMBL1341461"	""	""	""	""	"1-(2-methylpropyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridine-4-carbonitrile"	""	""	"N#Cc1c(=O)[nH]c(c2c1CCC2)CC(C)C"	"QOUMCRXJXXVERM-UHFFFAOYSA-N"	"InChI=1S/C13H16N2O/c1-8(2)6-12-10-5-3-4-9(10)11(7-14)13(16)15-12/h8H,3-6H2,1-2H3,(H,15,16)"	""	""	""
"6716"	"compound 8 [PMID: 22533316]"	""	"Synthetic organic"	""	""	""	""	"178103327"	"10138152"	""	""	"CHEMBL1186073"	""	""	""	""	"4-(trifluoromethyl)phenyl N-methyl-N-[(1s,4r)-4-{5-[methyl(prop-2-en-1-yl)amino]pentyl}cyclohexyl]carbamate"	""	""	"C=CCN(CCCCC[C@@H]1CC[C@H](CC1)N(C(=O)Oc1ccc(cc1)C(F)(F)F)C)C"	"QTPDFYJYCCDNKD-XUTJKUGGSA-N"	"InChI=1S/C24H35F3N2O2/c1-4-17-28(2)18-7-5-6-8-19-9-13-21(14-10-19)29(3)23(30)31-22-15-11-20(12-16-22)24(25,26)27/h4,11-12,15-16,19,21H,1,5-10,13-14,17-18H2,2-3H3/t19-,21-"	""	""	""
"8195"	"compound 8 [PMID: 24044867]"	""	"Synthetic organic"	""	""	""	""	"249565875"	"46236221"	""	""	"CHEMBL2436980"	""	""	""	""	"5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-indole"	""	""	"COc1cc(cc(c1OC)OC)c1cnc2c(c1)c(c[nH]2)c1ccc2c(c1)cc[nH]2"	"UQHKXSZPEUNUDH-UHFFFAOYSA-N"	"InChI=1S/C24H21N3O3/c1-28-21-10-16(11-22(29-2)23(21)30-3)17-9-18-19(13-27-24(18)26-12-17)14-4-5-20-15(8-14)6-7-25-20/h4-13,25H,1-3H3,(H,26,27)"	""	""	""
"10498"	"compound 8 [PMID: 25898023]"	""	"Synthetic organic"	""	""	""	""	"387065580"	"71283262"	""	""	"CHEMBL3426624"	""	""	""	""	"methyl 4-[[3-[2-(aminomethyl)-5-[(3-fluoropyridin-4-yl)carbamoyl]phenyl]benzoyl]amino]benzoate"	""	""	"NCc1ccc(cc1c1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)OC)C(=O)Nc1ccncc1F"	"MXWDBTLNBKIMEX-UHFFFAOYSA-N"	"InChI=1S/C28H23FN4O4/c1-37-28(36)17-7-9-22(10-8-17)32-26(34)19-4-2-3-18(13-19)23-14-20(5-6-21(23)15-30)27(35)33-25-11-12-31-16-24(25)29/h2-14,16H,15,30H2,1H3,(H,32,34)(H,31,33,35)"	"yes"	""	""
"11519"	"compound 8 [PMID: 33655614]"	""	"Synthetic organic"	""	""	""	""	"441604891"	"155925841"	""	""	""	""	""	""	""	"benzyl N-[(1S)-1-{[(1S)-1-{[(1S)-1-[N'-(2-carbamoylethyl)-N'-cyano-N-methylhydrazinecarbonyl]-2-phenylethyl]carbamoyl}-2,2-dimethylpropyl]carbamoyl}propyl]carbamate"	""	""	"N#CN(N(C(=O)[C@@H](NC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC)Cc1ccccc1)C)CCC(=O)N"	"JGNSKMJHNUAKGY-OHSXHVKISA-N"	"InChI=1S/C32H43N7O6/c1-6-24(36-31(44)45-20-23-15-11-8-12-16-23)28(41)37-27(32(2,3)4)29(42)35-25(19-22-13-9-7-10-14-22)30(43)38(5)39(21-33)18-17-26(34)40/h7-16,24-25,27H,6,17-20H2,1-5H3,(H2,34,40)(H,35,42)(H,36,44)(H,37,41)/t24-,25-,27+/m0/s1"	""	""	""
"10682"	"compound 8u [PMID: 31999451]"	""	"Synthetic organic"	""	""	""	""	"404859129"	"145996539"	""	""	""	""	""	""	""	"(Z)-N-(3,5-Dimethoxyphenyl)-2-((4-(hydroxyimino)-1-oxo-1,4-dihydronaphthalen-2-yl) amino)-3-phenylpropanamide"	""	""	"O/N=C/1\C=C(NC(C(=O)Nc2cc(OC)cc(c2)OC)Cc2ccccc2)C(=O)c2c1cccc2"	"BTNMSAUAXSTYIU-JJKYIXSRSA-N"	"InChI=1S/C27H25N3O5/c1-34-19-13-18(14-20(15-19)35-2)28-27(32)25(12-17-8-4-3-5-9-17)29-24-16-23(30-33)21-10-6-7-11-22(21)26(24)31/h3-11,13-16,25,29,33H,12H2,1-2H3,(H,28,32)/b30-23+"	"yes"	""	""
"2958"	"compound 9a [Patil <i>et al.</i>, 1989]"	""	"Synthetic organic"	""	""	""	""	"135649790"	"14309407"	""	""	"CHEMBL483819"	""	""	""	""	"4-[3-(dodeca-1,3-diyn-1-yl)oxiran-2-yl]butanoic acid"	""	""	"CCCCCCCCC#CC#CC1OC1CCCC(=O)O"	"XLDNBXDVNANPCY-UHFFFAOYSA-N"	"InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-17(21-16)14-12-15-18(19)20/h16-17H,2-8,12,14-15H2,1H3,(H,19,20)"	""	""	""
"6356"	"compound 9a [PMID: 22266036]"	""	"Synthetic organic"	""	""	""	""	"178102974"	"16118119"	""	""	"CHEMBL1951658"	""	""	""	""	"13-(dimethylamino)-5-(4-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one"	""	""	"COc1ccc(cc1)n1ccc2c(c1=O)sc1c2c(ccn1)N(C)C"	"KBKYZXCTHJUCOC-UHFFFAOYSA-N"	"InChI=1S/C19H17N3O2S/c1-21(2)15-8-10-20-18-16(15)14-9-11-22(19(23)17(14)25-18)12-4-6-13(24-3)7-5-12/h4-11H,1-3H3"	""	""	""
"8160"	"compound 9b [PMID: 18986805]"	""	"Synthetic organic"	""	""	""	""	"249565840"	"11675054"	""	""	"CHEMBL455428"	""	""	""	""	"2-fluoro-N-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide"	""	""	"CNC(=O)c1ccc(cc1F)Nc1nccc(n1)c1cnc(n1C(C)C)C"	"OCUYCOQPRGFQEV-UHFFFAOYSA-N"	"InChI=1S/C19H21FN6O/c1-11(2)26-12(3)23-10-17(26)16-7-8-22-19(25-16)24-13-5-6-14(15(20)9-13)18(27)21-4/h5-11H,1-4H3,(H,21,27)(H,22,24,25)"	""	""	""
"10083"	"Compound 9  [doi:10.26434/chemrxiv.7072592.v1]"	""	"Synthetic organic"	""	""	""	""	"375973270"	"134813914"	""	""	""	""	""	""	""	""	""	""	"C=CC(=O)NCCOc1ccc(cc1)c1[nH]c2c(C#N)cnn2c(=O)c1C(C)C"	"GAWCCMHWAMQURK-UHFFFAOYSA-N"	"InChI=1S/C21H21N5O3/c1-4-17(27)23-9-10-29-16-7-5-14(6-8-16)19-18(13(2)3)21(28)26-20(25-19)15(11-22)12-24-26/h4-8,12-13,25H,1,9-10H2,2-3H3,(H,23,27)"	"yes"	""	""
"8508"	"compound 9f [PMID: 24412111]"	""	"Synthetic organic"	""	""	""	""	"252166716"	"91827365"	""	""	""	""	""	""	""	"2-[(5R)-4-{2-[3-(3-methylbutoxy)phenyl]acetyl}-8-(trifluoromethyl)-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-5-yl]acetic acid"	""	""	"CC(CCOc1cccc(c1)CC(=O)N1CCNc2c([C@H]1CC(=O)O)ccc(n2)C(F)(F)F)C"	"DFAPMGLBHDJMNX-LJQANCHMSA-N"	"InChI=1S/C24H28F3N3O4/c1-15(2)8-11-34-17-5-3-4-16(12-17)13-21(31)30-10-9-28-23-18(19(30)14-22(32)33)6-7-20(29-23)24(25,26)27/h3-7,12,15,19H,8-11,13-14H2,1-2H3,(H,28,29)(H,32,33)/t19-/m1/s1"	""	""	""
"8509"	"compound 9g [PMID: 24412111]"	""	"Synthetic organic"	""	""	""	""	"252166717"	"72944991"	""	""	"CHEMBL3115390"	""	""	""	""	"2-[(5R)-4-(2-{3-[(6-methylpyridin-3-yl)oxy]phenyl}acetyl)-8-(trifluoromethyl)-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-5-yl]acetic acid"	""	""	"OC(=O)C[C@H]1N(CCNc2c1ccc(n2)C(F)(F)F)C(=O)Cc1cccc(c1)Oc1ccc(nc1)C"	"PPSMYAUEJRADFE-HXUWFJFHSA-N"	"InChI=1S/C25H23F3N4O4/c1-15-5-6-18(14-30-15)36-17-4-2-3-16(11-17)12-22(33)32-10-9-29-24-19(20(32)13-23(34)35)7-8-21(31-24)25(26,27)28/h2-8,11,14,20H,9-10,12-13H2,1H3,(H,29,31)(H,34,35)/t20-/m1/s1"	""	""	""
"13040"	"compound 9h [PMID: 32697083]"	""	"Synthetic organic"	""	""	""	""	"485206161"	"156011010"	""	""	"CHEMBL4633662"	""	""	""	""	"3-(2-chloroethyl)-7-[3-(diethylamino)propylamino]-6-fluoro-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one"	""	""	"CCN(CC)CCCNC=1C=C2N=C(/C=C/C3=CC=C(C(C)C)C=C3)N(CCCl)C(=O)C2=CC1F"	"WTSYRNAZXPASJF-JLHYYAGUSA-N"	"InChI=1S/C28H36ClFN4O/c1-5-33(6-2)16-7-15-31-26-19-25-23(18-24(26)30)28(35)34(17-14-29)27(32-25)13-10-21-8-11-22(12-9-21)20(3)4/h8-13,18-20,31H,5-7,14-17H2,1-4H3/b13-10+"	""	""	""
"10448"	"compound 9 [Kumar <i>et al</i>., 2019]"	""	"Synthetic organic"	""	""	""	""	"385612208"	"139030527"	""	""	""	""	""	""	""	"N-(4-Chlorophenyl)-N-(3-oxo-cyclohex-1-enyl)acetamide"	""	""	"CC(=O)N(c1ccc(cc1)Cl)C1=CC(=O)CCC1"	"UOYMKJRPIIMBTR-UHFFFAOYSA-N"	"InChI=1S/C14H14ClNO2/c1-10(17)16(12-7-5-11(15)6-8-12)13-3-2-4-14(18)9-13/h5-9H,2-4H2,1H3"	"yes"	""	""
"12806"	"compound 9 [Lin <i>et al</i>., 2023]"	""	"Synthetic organic"	""	""	""	""	"483123354"	"168433309"	""	""	""	""	""	""	""	"4-[(4-fluoro-3-{2-[3-(piperidin-1-yl)propoxy]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one"	""	""	"FC1=CC=C(CC2=NNC(=O)C3=C2C=CC=C3)C=C1C(=O)N4CCC5=NC(OCCCN6CCCCC6)=NC=C5C4"	"FGGDDPHGBCQQLG-UHFFFAOYSA-N"	"InChI=1S/C31H33FN6O3/c32-26-10-9-21(18-28-23-7-2-3-8-24(23)29(39)36-35-28)17-25(26)30(40)38-15-11-27-22(20-38)19-33-31(34-27)41-16-6-14-37-12-4-1-5-13-37/h2-3,7-10,17,19H,1,4-6,11-16,18,20H2,(H,36,39)"	""	""	""
"5795"	"compound 9n [PMID: 18752940]"	""	"Synthetic organic"	""	""	""	""	"178102420"	"25101223"	""	""	"CHEMBL490599"	""	""	""	""	"7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide"	""	""	"C[C@@H](NC(=O)c1cnc2n(c1C)ncc2c1ccc(cc1)C(C)C)COc1ccccc1"	"DJSWNINDPRRCLC-GOSISDBHSA-N"	"InChI=1S/C26H28N4O2/c1-17(2)20-10-12-21(13-11-20)24-15-28-30-19(4)23(14-27-25(24)30)26(31)29-18(3)16-32-22-8-6-5-7-9-22/h5-15,17-18H,16H2,1-4H3,(H,29,31)/t18-/m1/s1"	""	""	""
"6362"	"compound 9n [PMID: 23084894]"	""	"Synthetic organic"	""	""	""	""	"178102980"	"16725048"	""	""	"CHEMBL2205377"	""	""	""	""	"13-(dimethylamino)-5-(2-fluoro-4-methoxyphenyl)-8-thia-3,5,10,12-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one"	""	""	"COc1ccc(c(c1)F)n1cnc2c(c1=O)sc1c2c(ncn1)N(C)C"	"XUSKBQJCEPMVBM-UHFFFAOYSA-N"	"InChI=1S/C17H14FN5O2S/c1-22(2)15-12-13-14(26-16(12)20-7-19-15)17(24)23(8-21-13)11-5-4-9(25-3)6-10(11)18/h4-8H,1-3H3"	""	""	""
"8833"	"compound 9 [PMID: 11606127]"	""	"Synthetic organic"	""	""	""	""	"252827490"	"11100382"	""	""	"CHEMBL121323"	""	""	""	""	"4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide"	""	""	"Nc1ccc(cc1)S(=O)(=O)N(c1ccnn1c1ccccc1)C(C)C"	"XBGCSAANSNGXGH-UHFFFAOYSA-N"	"InChI=1S/C18H20N4O2S/c1-14(2)22(25(23,24)17-10-8-15(19)9-11-17)18-12-13-20-21(18)16-6-4-3-5-7-16/h3-14H,19H2,1-2H3"	""	""	""
"8890"	"compound 9 [PMID: 15615544]"	""	"Synthetic organic"	""	""	""	""	"310264671"	"11247965"	""	""	"CHEMBL390990"	""	""	""	""	"(2S)-2-[6-[(2,4-diaminopteridin-6-yl)methylamino]-3-oxo-1H-isoindol-2-yl]pentanedioic acid"	""	""	"OC(=O)CC[C@H](N1Cc2c(C1=O)ccc(c2)NCc1cnc2c(n1)c(N)nc(n2)N)C(=O)O"	"NYPQVENKFXVRKJ-ZDUSSCGKSA-N"	"InChI=1S/C20H20N8O5/c21-16-15-17(27-20(22)26-16)24-7-11(25-15)6-23-10-1-2-12-9(5-10)8-28(18(12)31)13(19(32)33)3-4-14(29)30/h1-2,5,7,13,23H,3-4,6,8H2,(H,29,30)(H,32,33)(H4,21,22,24,26,27)/t13-/m0/s1"	""	""	""
"8677"	"compound 9 [PMID: 1738140]"	""	"Synthetic organic"	""	""	""	""	"252166877"	"44309732"	""	""	"CHEMBL309130"	""	""	""	""	"(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide"	""	""	"O[C@H](C(=O)NCCC(C)C)[C@@H](Cc1ccccc1)N"	"WABAJXKDQWZIOJ-KGLIPLIRSA-N"	"InChI=1S/C15H24N2O2/c1-11(2)8-9-17-15(19)14(18)13(16)10-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10,16H2,1-2H3,(H,17,19)/t13-,14+/m1/s1"	""	""	""
"3072"	"compound 9 [PMID: 18754614]"	""	"Synthetic organic"	""	""	""	""	"135649692"	"25147760"	""	""	"CHEMBL516943"	""	""	""	""	"2-[4-(5-bromothiophen-2-yl)phenyl]-4-methyl-octahydro-2H-1,4-benzoxazin-2-ol"	""	""	"CN1CC(O)(OC2C1CCCC2)c1ccc(cc1)c1ccc(s1)Br"	"GFRMFVSDSQREBC-UHFFFAOYSA-N"	"InChI=1S/C19H22BrNO2S/c1-21-12-19(22,23-16-5-3-2-4-15(16)21)14-8-6-13(7-9-14)17-10-11-18(20)24-17/h6-11,15-16,22H,2-5,12H2,1H3"	""	""	""
"2984"	"compound 9 [PMID: 1992149]"	""	"Synthetic organic"	""	""	""	""	"135649772"	"14851316"	""	""	"CHEMBL3039788"	""	""	""	""	""	""	"compound 10b [PMID: 1597859]"	"O[C@H](C[C@@H](/C=C/c1c(nn(c1c1ccc(cc1)F)c1cnccn1)C(C)C)O)CC(=O)O"	"DPRJPRMZJGWLHY-HNGSOEQISA-N"	"InChI=1S/C23H25FN4O4/c1-14(2)22-19(8-7-17(29)11-18(30)12-21(31)32)23(15-3-5-16(24)6-4-15)28(27-22)20-13-25-9-10-26-20/h3-10,13-14,17-18,29-30H,11-12H2,1-2H3,(H,31,32)/b8-7+/t17-,18-/m1/s1"	""	""	""
"9893"	"compound 9 [PMID: 20718420]"	""	"Synthetic organic"	""	""	""	""	"363894187"	"15951636"	""	""	"CHEMBL1243373"	""	""	""	""	"[(2R)-1-[2-(naphthalene-1-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid"	""	""	"OB([C@@H]1CCCN1C(=O)CNC(=O)c1cccc2c1cccc2)O"	"QVGIJGPVKMNEPA-HNNXBMFYSA-N"	"InChI=1S/C17H19BN2O4/c21-16(20-10-4-9-15(20)18(23)24)11-19-17(22)14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,15,23-24H,4,9-11H2,(H,19,22)/t15-/m0/s1"	""	""	""
"6718"	"compound 9 [PMID: 22533316]"	""	"Synthetic organic"	""	""	""	""	"178103329"	"71456888"	""	""	"CHEMBL2219825"	""	""	""	""	"N-methyl-N-[(1s,4r)-4-{5-[(2-hydroxyethyl)(methyl)amino]pentyl}cyclohexyl]-4-(trifluoromethyl)benzene-1-sulfonamide"	""	""	"OCCN(CCCCC[C@@H]1CC[C@H](CC1)N(S(=O)(=O)c1ccc(cc1)C(F)(F)F)C)C"	"YPKPOCIBCOOAFB-KESTWPANSA-N"	"InChI=1S/C22H35F3N2O3S/c1-26(16-17-28)15-5-3-4-6-18-7-11-20(12-8-18)27(2)31(29,30)21-13-9-19(10-14-21)22(23,24)25/h9-10,13-14,18,20,28H,3-8,11-12,15-17H2,1-2H3/t18-,20-"	""	""	""
"9017"	"compound 9 [PMID: 23472952]"	""	"Synthetic organic"	""	""	""	""	"315661102"	"66833213"	""	""	"CHEMBL2326089"	""	""	""	""	"(2R)-2-amino-6-borono-2-(2-piperidin-1-ylethyl)hexanoic acid"	""	"arginase inhibitor 1"	"OB(CCCC[C@](C(=O)O)(CCN1CCCCC1)N)O"	"CHPILBYRQPOXMV-CYBMUJFWSA-N"	"InChI=1S/C13H27BN2O4/c15-13(12(17)18,6-2-3-8-14(19)20)7-11-16-9-4-1-5-10-16/h19-20H,1-11,15H2,(H,17,18)/t13-/m1/s1"	""	""	""
"7517"	"compound 9 [PMID: 23517011]"	""	"Synthetic organic"	""	""	""	""	"187051819"	"71624782"	""	""	"CHEMBL2335153"	""	""	""	""	"[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy(phenyl)methyl]phenyl] acetate"	""	""	"CC(=O)Oc1cc(cc(c1)c1c(C)noc1C)C(c1ccccc1)O"	"BLNKHZBHJDYSGF-UHFFFAOYSA-N"	"InChI=1S/C20H19NO4/c1-12-19(13(2)25-21-12)16-9-17(11-18(10-16)24-14(3)22)20(23)15-7-5-4-6-8-15/h4-11,20,23H,1-3H3"	""	""	""
"7492"	"compound 9 [PMID: 23788254]"	""	"Synthetic organic"	""	""	""	""	"187051795"	"53385599"	""	""	""	""	""	""	""	"(2E)-N-hydroxy-3-[1-(4-methoxybenzenesulfonyl)-2,3-dihydro-1H-indol-5-yl]prop-2-enamide"	""	""	"ONC(=O)/C=C/c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(cc1)OC"	"LMFNVOGHSBJWLX-YCRREMRBSA-N"	"InChI=1S/C18H18N2O5S/c1-25-15-4-6-16(7-5-15)26(23,24)20-11-10-14-12-13(2-8-17(14)20)3-9-18(21)19-22/h2-9,12,22H,10-11H2,1H3,(H,19,21)/b9-3+"	""	""	""
"9761"	"compound 9 [PMID: 26006010]"	""	"Synthetic organic"	""	""	""	""	"354702234"	"73389638"	""	""	"CHEMBL3702836"	""	""	""	""	"(E)-2-[(2S)-2-[[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carbonyl]-4-methyl-4-[methyl(oxetan-3-yl)amino]pent-2-enenitrile"	""	""	"N#C/C(=C\C(N(C1COC1)C)(C)C)/C(=O)N1CCC[C@H]1Cn1nc(c2c1ncnc2N)c1ccc(cc1F)Oc1ccccc1"	"YELZMARZEBVKBL-VAZXNAHHSA-N"	"InChI=1S/C33H35FN8O3/c1-33(2,40(3)23-18-44-19-23)15-21(16-35)32(43)41-13-7-8-22(41)17-42-31-28(30(36)37-20-38-31)29(39-42)26-12-11-25(14-27(26)34)45-24-9-5-4-6-10-24/h4-6,9-12,14-15,20,22-23H,7-8,13,17-19H2,1-3H3,(H2,36,37,38)/b21-15+/t22-/m0/s1"	"yes"	""	""
"9197"	"compound 9 [PMID: 26937601]"	""	"Synthetic organic"	""	""	""	""	"374883821"	"44467360"	""	""	""	""	""	""	""	"(4aR,7aS)-2-amino-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one"	""	"Mbi-4"	"COc1nc(nc(c1F)C)N1C[C@@H]2[C@](C1)(N=C(N(C2=O)C)N)c1ccc(cc1F)F"	"FNMJFZYRSQTKIH-HXPMCKFVSA-N"	"InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-5-4-10(20)6-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1"	""	""	""
"13566"	"compound 9 [PMID: 32140747]"	""	"Synthetic organic"	""	""	""	""	"504705385"	"146425702"	""	""	""	""	""	""	""	"4-[[2-[(Z)-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-(4-fluorophenyl)phenoxy]methyl]benzoic acid"	""	""	"OC(=O)CN1C(=S)S/C(=C\C2=C(OCC3=CC=C(C=C3)C(O)=O)C=CC(=C2)C4=CC=C(F)C=C4)/C1=O"	"WVGKPTIOSWSVIJ-UUYOSTAYSA-N"	"InChI=1S/C26H18FNO6S2/c27-20-8-5-16(6-9-20)18-7-10-21(34-14-15-1-3-17(4-2-15)25(32)33)19(11-18)12-22-24(31)28(13-23(29)30)26(35)36-22/h1-12H,13-14H2,(H,29,30)(H,32,33)/b22-12-"	""	""	""
"8559"	"compound 9 [PMID: 3514912]"	""	"Synthetic organic"	""	""	""	""	"252166760"	"44365677"	""	""	"CHEMBL151454"	""	""	""	""	"(4-methylphenyl) 4-(diaminomethylideneamino)benzoate"	""	""	"O=C(c1ccc(cc1)N=C(N)N)Oc1ccc(cc1)C"	"OELAPCOUDOSGBC-UHFFFAOYSA-N"	"InChI=1S/C15H15N3O2/c1-10-2-8-13(9-3-10)20-14(19)11-4-6-12(7-5-11)18-15(16)17/h2-9H,1H3,(H4,16,17,18)"	""	""	""
"3030"	"compound 9 [PMID: 7932551]"	""	"Synthetic organic"	""	""	""	""	"135649730"	"11756374"	""	""	"CHEMBL320943"	""	""	""	""	"(1S,2S,5R,7R,10R,11S,15R,16S)-5-hydroxy-14-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-16-yl (2S)-2-methylbutanoate"	""	"(3&alpha;,5&beta;,12&alpha;,17xi)-3-hydroxy-21-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]pregnan-12-yl (2S)-2-methylbutanoate"	"CC[C@@H](C(=O)O[C@H]1C[C@H]2[C@H]([C@H]3[C@@]1(C)C(CC[C@@H]1C[C@@H](O)CC(=O)O1)CC3)CC[C@H]1[C@]2(C)CC[C@H](C1)O)C"	"CFMOEGAYJQXZMT-UQTJVAAQSA-N"	"InChI=1S/C31H50O6/c1-5-18(2)29(35)37-27-17-26-24(10-7-20-14-21(32)12-13-30(20,26)3)25-11-8-19(31(25,27)4)6-9-23-15-22(33)16-28(34)36-23/h18-27,32-33H,5-17H2,1-4H3/t18-,19?,20+,21+,22+,23+,24-,25-,26-,27-,30-,31+/m0/s1"	""	""	""
"8169"	"compound A127 [WO2013110309]"	""	"Synthetic organic"	""	""	""	""	"249565849"	"90655897"	""	""	"CHEMBL3260333"	""	""	""	""	"2-{[2-(4-{5-[(1-ethyl-1H-pyrazol-3-yl)amino]-1H-[1,2,3]triazolo[4,5-d]pyrimidin-1-yl}phenyl)propan-2-yl]oxy}ethan-1-ol"	""	"A-127"	"OCCOC(c1ccc(cc1)n1nnc2c1cnc(n2)Nc1ccn(n1)CC)(C)C"	"XNAMZBCMLZQBIC-UHFFFAOYSA-N"	"InChI=1S/C20H24N8O2/c1-4-27-10-9-17(25-27)22-19-21-13-16-18(23-19)24-26-28(16)15-7-5-14(6-8-15)20(2,3)30-12-11-29/h5-10,13,29H,4,11-12H2,1-3H3,(H,21,22,23,25)"	""	""	""
"12018"	"compound A34 [PMID: 35635004]"	""	"Synthetic organic"	""	""	""	""	"464244159"	"153531813"	""	""	""	""	""	""	""	"N-[5-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-4-methoxy-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]but-2-ynamide"	""	""	"[C@H]12OC[C@H](N(C1)c1c(cc(c(c1)OC)c1ncc3cc(c(=O)n(c3c1)CC)c1c(c(cc(c1Cl)OC)OC)Cl)NC(=O)C#CC)C2"	"VDIDNMGZRIMBKL-WOJBJXKFSA-N"	"InChI=1S/C34H32Cl2N4O6/c1-6-8-30(41)38-24-11-21(27(43-3)13-26(24)40-16-20-10-19(40)17-46-20)23-12-25-18(15-37-23)9-22(34(42)39(25)7-2)31-32(35)28(44-4)14-29(45-5)33(31)36/h9,11-15,19-20H,7,10,16-17H2,1-5H3,(H,38,41)/t19-,20-/m1/s1"	""	""	""
"8418"	"compound A [PMID 24997608]"	""	"Synthetic organic"	""	""	""	""	"252166628"	"73777063"	""	""	""	""	""	""	""	"2-[3-[2-chloro-5-(trifluoromethoxy)phenyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid"	""	""	"OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(ccc1Cl)OC(F)(F)F"	"WUJVPELCYCESAP-UHFFFAOYSA-N"	"InChI=1S/C19H23ClF3NO3/c20-15-2-1-14(27-19(21,22)23)12-16(15)24-9-7-18(8-10-24)5-3-13(4-6-18)11-17(25)26/h1-2,12-13H,3-11H2,(H,25,26)"	""	""	""
"11261"	"compound A [PMID: 28324017]"	""	"Synthetic organic"	""	""	""	""	"434321696"	"154733031"	""	""	""	""	""	""	""	""	""	""	"COc1ccc2c(c1)C(=O)N(Cc1ccccc1)C(c1c2cccc1)C(=O)NC(C)(C)C"	"KERMKRMLWZLZAK-UHFFFAOYSA-N"	"InChI=1S/C27H28N2O3/c1-27(2,3)28-25(30)24-22-13-9-8-12-20(22)21-15-14-19(32-4)16-23(21)26(31)29(24)17-18-10-6-5-7-11-18/h5-16,24H,17H2,1-4H3,(H,28,30)"	""	""	""
"14173"	"compound A [PMID: 40037063]"	""	"Synthetic organic"	""	""	""	""	"518520800"	"176516532"	""	""	""	""	""	""	""	"8-(1,2-benzoxazole-3-carbonyl)-2-(2,1-benzoxazole-3-carbonyl)-N-methyl-2,8-diazaspiro[4.5]decane-4-carboxamide"	""	""	"CNC(=O)C1CN(CC12CCN(CC2)C(=O)C3=NOC4=CC=CC=C34)C(=O)C5=C6C=CC=CC6=NO5"	"ARWDQXDFSDCWFF-UHFFFAOYSA-N"	"InChI=1S/C26H25N5O5/c1-27-23(32)18-14-31(25(34)22-16-6-2-4-8-19(16)28-36-22)15-26(18)10-12-30(13-11-26)24(33)21-17-7-3-5-9-20(17)35-29-21/h2-9,18H,10-15H2,1H3,(H,27,32)"	""	""	""
"14351"	"compound A [PMID: 41604465]"	""	"Synthetic organic"	""	""	""	""	"523352143"	"56750508"	""	""	"CHEMBL5078956"	""	""	""	""	"[1-(2-aminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol"	""	""	"NC1=NC(=CC=N1)N2CCCC(CO)(CCCC3=CC=CC=C3)C2"	"DTYLCARBXSKICY-UHFFFAOYSA-N"	"InChI=1S/C19H26N4O/c20-18-21-12-9-17(22-18)23-13-5-11-19(14-23,15-24)10-4-8-16-6-2-1-3-7-16/h1-3,6-7,9,12,24H,4-5,8,10-11,13-15H2,(H2,20,21,22)"	""	""	""
"3367"	"compound B [PMID:18477808]"	""	"Synthetic organic"	""	""	""	""	"178100391"	"46216676"	""	""	"CHEMBL604126"	""	""	""	""	"5-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}-2-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione"	""	"cpd B|Cpd-B"	"O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F"	"ZAMASFSDWVSMSY-UHFFFAOYSA-N"	"InChI=1S/C17H12ClF3N2O3S/c1-8-4-11(3-2-9(8)5-13-14(24)23-16(25)27-13)26-15-12(18)6-10(7-22-15)17(19,20)21/h2-4,6-7,13H,5H2,1H3,(H,23,24,25)"	""	""	""
"9162"	"compound C10 [PMID: 24297249]"	""	"Synthetic organic"	""	""	""	""	"315661245"	"9340"	""	""	""	""	""	""	""	"1-[(4-chlorophenyl)-phenylmethyl]piperazine"	""	""	"Clc1ccc(cc1)C(c1ccccc1)N1CCNCC1"	"UZKBSZSTDQSMDR-UHFFFAOYSA-N"	"InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2"	""	""	""
"10273"	"compound C2 [PMID: 29990428]"	""	"Synthetic organic"	""	""	""	""	"381744954"	"137553165"	""	""	""	""	""	""	""	"N-{5-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,2-dihydropyridin-3-yl}cycloheptanecarboxamide"	""	"Ec2la"	"O=C(C1CCCCCC1)Nc1c(C)c(Br)cn(c1=O)Cc1ccc(cc1)F"	"NSGDYZCDUPSTQT-UHFFFAOYSA-N"	"InChI=1S/C21H24BrFN2O2/c1-14-18(22)13-25(12-15-8-10-17(23)11-9-15)21(27)19(14)24-20(26)16-6-4-2-3-5-7-16/h8-11,13,16H,2-7,12H2,1H3,(H,24,26)"	""	""	""
"8834"	"compound D24 [PMID: 24374347]"	""	"Synthetic organic"	""	""	""	""	"252827491"	"5123423"	""	""	"CHEMBL1509437"	""	""	""	""	"2-[(2-methoxyphenyl)amino]-2-[2-(phenylmethoxy)phenyl]acetonitrile"	""	""	"N#CC(c1ccccc1OCc1ccccc1)Nc1ccccc1OC"	"KYFXPHPBTUJULU-UHFFFAOYSA-N"	"InChI=1S/C22H20N2O2/c1-25-22-14-8-6-12-19(22)24-20(15-23)18-11-5-7-13-21(18)26-16-17-9-3-2-4-10-17/h2-14,20,24H,16H2,1H3"	""	""	""
"10437"	"compound E22 [PMID: 31298542]"	""	"Synthetic organic"	""	""	""	""	"385612197"	"138911338"	""	""	""	""	""	""	""	"5-Chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-N-((3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-(methylamino)-2-oxoethyl)piperidin-3-yl)furan-2-carboxamide"	""	""	"CNC(=O)C[C@H]1NC[C@H]([C@@H](C1)c1ccc(c(c1)F)F)NC(=O)c1oc(c(c1)c1c(Cl)cnn1C)Cl"	"SXDPQGRNHSLZPC-ZJNRKIDTSA-N"	"InChI=1S/C23H23Cl2F2N5O3/c1-28-20(33)7-12-6-13(11-3-4-16(26)17(27)5-11)18(10-29-12)31-23(34)19-8-14(22(25)35-19)21-15(24)9-30-32(21)2/h3-5,8-9,12-13,18,29H,6-7,10H2,1-2H3,(H,28,33)(H,31,34)/t12-,13-,18+/m0/s1"	""	""	""
"14091"	"compound E3"	""	"Synthetic organic"	""	""	""	""	"518520718"	"176490075"	""	""	""	""	""	""	""	"5-acetyl-N-(3-benzenesulfonamidophenyl)furan-2-carboxamide"	""	""	"CC(=O)C1=CC=C(O1)C(=O)NC2=CC(NS(=O)(=O)C3=CC=CC=C3)=CC=C2"	"OCEJOLAYBZXXRB-UHFFFAOYSA-N"	"InChI=1S/C19H16N2O5S/c1-13(22)17-10-11-18(26-17)19(23)20-14-6-5-7-15(12-14)21-27(24,25)16-8-3-2-4-9-16/h2-12,21H,1H3,(H,20,23)"	""	""	""
"14458"	"compound example 1 [WO2023051681]"	""	"Synthetic organic"	""	""	""	""	"528429779"	"172538807"	""	""	""	""	""	""	""	""	""	""	"C[C@@H]1COC2NC=NC=C2C3=C4N1C(=NC4=CC(=C3)C(=O)NC5=CC=C(OC(F)(F)Cl)C=C5)C(F)F"	"IRJUOLZMONEIKV-FAYKFVSFSA-N"	"InChI=1S/C23H18ClF4N5O3/c1-11-9-35-22-16(8-29-10-30-22)15-6-12(7-17-18(15)33(11)20(32-17)19(25)26)21(34)31-13-2-4-14(5-3-13)36-23(24,27)28/h2-8,10-11,19,22H,9H2,1H3,(H,29,30)(H,31,34)/t11-,22?/m1/s1"	""	""	""
"12354"	"compound G1 [PMID: 36689364]"	""	"Synthetic organic"	""	""	""	""	"479821145"	"167993638"	""	""	""	""	""	""	""	"1-((1r,3R,5S,7r)-3,5-Dimethyladamantan-1-yl)-3-(2-fluoro-4-((3-(4-propionyl-1,4-diazepane-1-carbonyl)piperidin-1-yl)methyl)phenyl)urea"	""	""	"O=C(Nc1ccc(CN2CCCC(C(=O)N3CCCN(C(=O)CC)CC3)C2)cc1F)N[C@]12C[C@H]3C[C@@](C[C@](C1)(C)C3)(C)C2"	"DMRRTPHESRMGJC-COLOTUKFSA-N"	"InChI=1S/C34H50FN5O3/c1-4-29(41)39-11-6-12-40(14-13-39)30(42)26-7-5-10-38(20-26)19-24-8-9-28(27(35)15-24)36-31(43)37-34-18-25-16-32(2,22-34)21-33(3,17-25)23-34/h8-9,15,25-26H,4-7,10-14,16-23H2,1-3H3,(H2,36,37,43)/t25-,26?,32+,33-,34-"	"yes"	""	""
"14686"	"compound I-1a [WO2025117677]"	""	"Synthetic organic"	""	""	""	""	"530846934"	"177051995"	""	""	""	""	""	""	""	"1-methyl-3-(trifluoromethyl)-N-[(4R)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-4-yl]pyrazole-5-carboxamide"	""	""	"CN1N=C(C=C1C(=O)N[C@H]2COCC3=NN(C=C32)C4=CC(=NC=C4)C(F)(F)F)C(F)(F)F"	"NPSKOXQCTQIHIC-NSHDSACASA-N"	"InChI=1S/C18H14F6N6O2/c1-29-13(5-15(28-29)18(22,23)24)16(31)26-11-7-32-8-12-10(11)6-30(27-12)9-2-3-25-14(4-9)17(19,20)21/h2-6,11H,7-8H2,1H3,(H,26,31)/t11-/m0/s1"	""	""	""
"8565"	"compound I3 [PMID: 23428964]"	""	"Synthetic organic"	""	""	""	""	"252166766"	"53494934"	""	""	"CHEMBL1852660"	""	""	""	""	"7-amino-1-bromo-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one"	""	""	"O=C1Cc2c(ccc(c2CCC1N)Br)c1ccccc1"	"XFZZDIHCNHYESF-UHFFFAOYSA-N"	"InChI=1S/C17H16BrNO/c18-15-8-6-12(11-4-2-1-3-5-11)14-10-17(20)16(19)9-7-13(14)15/h1-6,8,16H,7,9-10,19H2"	""	""	""
"9709"	"compound III [PMID: 24045148]"	""	"Synthetic organic"	""	""	""	""	"348353668"	"67033699"	""	""	"CHEMBL3770411"	""	""	""	""	"N-cyclopentyl-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide"	""	""	"O=C(C1CCN(CC1)c1nc2c(n1C(C)C)cc(c(c2)C)C)NC1CCCC1"	"FPPVJOTXZIRXTF-UHFFFAOYSA-N"	"InChI=1S/C23H34N4O/c1-15(2)27-21-14-17(4)16(3)13-20(21)25-23(27)26-11-9-18(10-12-26)22(28)24-19-7-5-6-8-19/h13-15,18-19H,5-12H2,1-4H3,(H,24,28)"	"yes"	""	""
"8825"	"compound III [PMID: 24080463]"	""	"Synthetic organic"	""	""	""	""	"252827482"	"73349604"	""	""	"CHEMBL2442083"	""	""	""	""	"2-[4-[4-[3,4-bis[2-(diethylamino)ethoxy]phenyl]butyl]-2-[2-(diethylamino)ethoxy]phenoxy]-N,N-diethylethanamine"	""	""	"CCN(CCOc1cc(CCCCc2ccc(c(c2)OCCN(CC)CC)OCCN(CC)CC)ccc1OCCN(CC)CC)CC"	"QROCYVPJPWZLIK-UHFFFAOYSA-N"	"InChI=1S/C40H70N4O4/c1-9-41(10-2)25-29-45-37-23-21-35(33-39(37)47-31-27-43(13-5)14-6)19-17-18-20-36-22-24-38(46-30-26-42(11-3)12-4)40(34-36)48-32-28-44(15-7)16-8/h21-24,33-34H,9-20,25-32H2,1-8H3"	""	""	""
"11560"	"compound III [PMID: 29351497]"	""	"Synthetic organic"	""	""	""	""	"441604932"	"14407285"	""	""	""	""	""	""	""	"ethyl (E)-3-[3-amino-2-cyano-1-[(E)-3-ethoxy-3-oxoprop-1-enyl]sulfanyl-3-oxoprop-1-enyl]sulfanylprop-2-enoate"	""	""	"CCOC(=O)/C=C/SC(=C(C(=O)N)C#N)S/C=C/C(=O)OCC"	"NLFBCYMMUAKCPC-KQQUZDAGSA-N"	"InChI=1S/C14H16N2O5S2/c1-3-20-11(17)5-7-22-14(10(9-15)13(16)19)23-8-6-12(18)21-4-2/h5-8H,3-4H2,1-2H3,(H2,16,19)/b7-5+,8-6+"	""	""	""
"9579"	"compound II [PMID: 21329883]"	""	"Synthetic organic"	""	""	""	""	"336446965"	"126970685"	""	""	""	""	""	""	""	"N-{3,4-dimethoxy-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1-(4-methoxyphenyl)-1H,3aH,7aH-pyrazolo[3,4-d]pyrimidin-6-amine"	""	""	"COc1ccc(cc1)N1N=CC2C1N=C(N=C2)Nc1cc(OC)c(c(c1)OCCCN1CCN(CC1)C)OC"	"DRSHXJFUUPIBHX-UHFFFAOYSA-N"	"InChI=1S/C28H37N7O4/c1-33-11-13-34(14-12-33)10-5-15-39-25-17-21(16-24(37-3)26(25)38-4)31-28-29-18-20-19-30-35(27(20)32-28)22-6-8-23(36-2)9-7-22/h6-9,16-20,27H,5,10-15H2,1-4H3,(H,31,32)"	"yes"	""	""
"11559"	"compound II [PMID: 29351497]"	""	"Synthetic organic"	""	""	""	""	"441604931"	"16483569"	""	""	""	""	""	""	""	"1,4-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylbutane-1,4-dione"	""	""	"Cc1ccc(cc1)S(=O)(=O)C(C(=O)c1ccc(cc1)Cl)CC(=O)c1ccc(cc1)Cl"	"HTSGKJQDMSTCGS-UHFFFAOYSA-N"	"InChI=1S/C23H18Cl2O4S/c1-15-2-12-20(13-3-15)30(28,29)22(23(27)17-6-10-19(25)11-7-17)14-21(26)16-4-8-18(24)9-5-16/h2-13,22H,14H2,1H3"	""	""	""
"11558"	"compound I [PMID: 29351497]"	""	"Synthetic organic"	""	""	""	""	"441604930"	"2165350"	""	""	""	""	""	""	""	"(E)-N-[2,2-dimethyl-3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]-3-(5-methylfuran-2-yl)prop-2-enamide"	""	""	"O=C(/C=C/c1ccc(o1)C)NCC(CNC(=O)/C=C/c1ccc(o1)C)(C)C"	"TVCXEKBERMLWAZ-WGDLNXRISA-N"	"InChI=1S/C21H26N2O4/c1-15-5-7-17(26-15)9-11-19(24)22-13-21(3,4)14-23-20(25)12-10-18-8-6-16(2)27-18/h5-12H,13-14H2,1-4H3,(H,22,24)(H,23,25)/b11-9+,12-10+"	""	""	""
"2333"	"compound <i>rac</i>-16 [PMID: 15603962]"	""	"Synthetic organic"	""	""	""	""	"135650590"	"11222922"	""	""	"CHEMBL180371"	""	""	""	""	"methyl 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-3-oxo-4,7-dihydro-1H-2-benzofuran-5-carboxylate"	""	""	"COC(=O)C1=C(C)CC2=C(C1c1ccc(c(c1)C(F)(F)F)Cl)C(=O)OC2"	"WMQUFXJLJGXXJD-UHFFFAOYSA-N"	"InChI=1S/C18H14ClF3O4/c1-8-5-10-7-26-17(24)15(10)14(13(8)16(23)25-2)9-3-4-12(19)11(6-9)18(20,21)22/h3-4,6,14H,5,7H2,1-2H3"	""	""	""
"7754"	"compound (<i>R</i>)-10h [PMID: 22490048]"	""	"Synthetic organic"	""	""	""	""	"223366087"	"57523087"	""	""	"CHEMBL2059513"	""	""	""	""	"4-(cyclopropylmethoxy)-N-{3-[(1R)-1-[(2-acetamidoethyl)amino]ethyl]-8-methylquinolin-7-yl}benzamide"	""	""	"CC(=O)NCCN[C@@H](c1cnc2c(c1)ccc(c2C)NC(=O)c1ccc(cc1)OCC1CC1)C"	"HRYQXLHGNOJEHH-GOSISDBHSA-N"	"InChI=1S/C27H32N4O3/c1-17-25(31-27(33)21-6-9-24(10-7-21)34-16-20-4-5-20)11-8-22-14-23(15-30-26(17)22)18(2)28-12-13-29-19(3)32/h6-11,14-15,18,20,28H,4-5,12-13,16H2,1-3H3,(H,29,32)(H,31,33)/t18-/m1/s1"	""	""	""
"5489"	"compound (<i>R</i>)-4d [PMID: 16766089]"	""	"Synthetic organic"	""	""	""	""	"178102136"	"9827510"	""	""	"CHEMBL1164498"	""	""	""	""	"2-[(2R)-1-{2-[tris(4-methoxyphenyl)methoxy]ethyl}pyrrolidin-2-yl]acetic acid"	""	""	"COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccc(cc1)OC)OCCN1CCC[C@@H]1CC(=O)O"	"LVXQSLPHTYSBIW-RUZDIDTESA-N"	"InChI=1S/C30H35NO6/c1-34-26-12-6-22(7-13-26)30(23-8-14-27(35-2)15-9-23,24-10-16-28(36-3)17-11-24)37-20-19-31-18-4-5-25(31)21-29(32)33/h6-17,25H,4-5,18-21H2,1-3H3,(H,32,33)/t25-/m1/s1"	""	""	""
"11561"	"compound IV [PMID: 29351497]"	""	"Synthetic organic"	""	""	""	""	"441604933"	"868700"	""	""	"CHEMBL1503727"	""	""	""	""	"2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide"	""	""	"Cc1ccc(cc1)NC(=O)c1cc(nc2c1cccc2)c1ccc(o1)C"	"OBTZDIRUQWFRFZ-UHFFFAOYSA-N"	"InChI=1S/C22H18N2O2/c1-14-7-10-16(11-8-14)23-22(25)18-13-20(21-12-9-15(2)26-21)24-19-6-4-3-5-17(18)19/h3-13H,1-2H3,(H,23,25)"	""	""	""
"14585"	"compound I [WO2021143841]"	""	"Synthetic organic"	""	""	""	""	"530846833"	"146299711"	""	""	""	""	""	""	""	"N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-5-hydroxy-3-methyltriazole-4-carboxamide"	""	""	"C1=2CCN3C(=O)N(CCNC(=O)C=4N(C)N=NC4O)/C(=N/C=5C(C)=CC(C)=CC5C)/C=C3C1=CC(OC)=C(OCC)C2"	"FZXKVCKSUDQCPY-WGPBWIAQSA-N"	"InChI=1S/C30H35N7O5/c1-7-42-24-14-20-8-10-36-22(21(20)15-23(24)41-6)16-25(32-26-18(3)12-17(2)13-19(26)4)37(30(36)40)11-9-31-28(38)27-29(39)33-34-35(27)5/h12-16,39H,7-11H2,1-6H3,(H,31,38)/b32-25+"	"yes"	""	""
"7854"	"compound J [PMID: 21907142]"	""	"Synthetic organic"	""	""	""	""	"223366184"	"50938551"	""	""	"CHEMBL2347211"	""	""	""	""	"N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide"	""	"Example 1 (WO2011029803)"	"Clc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@]1(C)CCSC(=N1)N)F"	"VVZZZUNCWSTIOI-KRWDZBQOSA-N"	"InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1"	""	""	""
"13669"	"compound M1"	""	"Synthetic organic"	""	""	""	""	"507750303"	"135567234"	""	""	""	""	""	""	""	"2,4-dibromo-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol"	""	"phenylisoxazole 4"	"C1=C(C=C(C(=C1C2=CC(=NO2)C(F)(F)F)O)Br)Br"	"UPPPIWMLZRPTQQ-UHFFFAOYSA-N"	"InChI=1S/C10H4Br2F3NO2/c11-4-1-5(9(17)6(12)2-4)7-3-8(16-18-7)10(13,14)15/h1-3,17H"	""	""	"yes"
"9010"	"compound NRA 4 [PMID: 25262941]"	""	"Synthetic organic"	""	""	""	""	"310264788"	"101879981"	""	""	""	""	""	""	""	"2-(5-bromo-2-fluorophenyl)-3-hydroxy-4H-chromen-4-one"	""	""	"Brc1ccc(c(c1)c1oc2ccccc2c(=O)c1O)F"	"OGIJEXWCHFAYRS-UHFFFAOYSA-N"	"InChI=1S/C15H8BrFO3/c16-8-5-6-11(17)10(7-8)15-14(19)13(18)9-3-1-2-4-12(9)20-15/h1-7,19H"	""	""	""
"14270"	"compound (&plusmn;)-2 [PMID: 41108282]"	""	"Natural product"	""	""	""	""	"521588910"	"177746929"	""	""	""	""	""	""	""	"5-[3-(3,5-dihydroxyphenyl)-4-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2,3-triol"	""	""	"OC1=CC2=C(C(C(O2)C3=CC(O)=C(O)C(O)=C3)C4=CC(O)=CC(O)=C4)C(/C=C/C5=CC(O)=C(O)C=C5)=C1"	"ZZRPKBGNSYWCOB-HNQUOIGGSA-N"	"InChI=1S/C28H22O9/c29-17-7-15(8-18(30)11-17)26-25-14(3-1-13-2-4-20(32)21(33)5-13)6-19(31)12-24(25)37-28(26)16-9-22(34)27(36)23(35)10-16/h1-12,26,28-36H/b3-1+"	""	""	""
"8213"	"compound R-16 [PMID: 21967808]"	""	"Synthetic organic"	""	""	""	""	"249565893"	"56597775"	""	""	"CHEMBL1939491"	""	""	""	""	"N-[(3R)-8-[[5-chloro-4-[2-fluoro-6-(methylcarbamoyl)anilino]pyrimidin-2-yl]amino]-5,5-dimethyl-2-oxo-3,4-dihydro-1H-1-benzazepin-3-yl]pyrrolidine-1-carboxamide"	""	""	"CNC(=O)c1cccc(c1Nc1nc(ncc1Cl)Nc1ccc2c(c1)NC(=O)[C@@H](CC2(C)C)NC(=O)N1CCCC1)F"	"HGSNUBHWAMMKIR-JOCHJYFZSA-N"	"InChI=1S/C29H32ClFN8O3/c1-29(2)14-22(36-28(42)39-11-4-5-12-39)26(41)35-21-13-16(9-10-18(21)29)34-27-33-15-19(30)24(38-27)37-23-17(25(40)32-3)7-6-8-20(23)31/h6-10,13,15,22H,4-5,11-12,14H2,1-3H3,(H,32,40)(H,35,41)(H,36,42)(H2,33,34,37,38)/t22-/m1/s1"	""	""	""
"6535"	"compound (R)-26 [PMID: 22686657]"	""	"Synthetic organic"	""	""	""	""	"178103149"	"60148519"	""	""	"CHEMBL2153161"	""	""	""	""	"N-[(1R)-1-(N'-cyano-N,N'-dimethylhydrazinecarbonyl)-2-(2-methylpropanesulfonyl)ethyl]benzamide"	""	""	"N#CN(N(C(=O)[C@H](CS(=O)(=O)CC(C)C)NC(=O)c1ccccc1)C)C"	"UGAZRSHSXNNYTK-HNNXBMFYSA-N"	"InChI=1S/C17H24N4O4S/c1-13(2)10-26(24,25)11-15(17(23)21(4)20(3)12-18)19-16(22)14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,22)/t15-/m0/s1"	""	""	""
"5834"	"compound R-(-)-5f [PMID: 22607879]"	""	"Synthetic organic"	""	""	""	""	"178102459"	"73755161"	""	""	""	""	""	""	""	"(2R)-N-(4-bromophenyl)-2-{5-[(3-methoxyphenyl)methyl]-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl}-2-phenylacetamide"	""	""	"COc1cccc(c1)Cc1cc(C)nn(c1=O)[C@@H](C(=O)Nc1ccc(cc1)Br)c1ccccc1"	"SPUZCVBKJUVZSD-RUZDIDTESA-N"	"InChI=1S/C27H24BrN3O3/c1-18-15-21(16-19-7-6-10-24(17-19)34-2)27(33)31(30-18)25(20-8-4-3-5-9-20)26(32)29-23-13-11-22(28)12-14-23/h3-15,17,25H,16H2,1-2H3,(H,29,32)/t25-/m1/s1"	""	""	""
"12904"	"compound (S)-29 [PMID: 37606563]"	""	"Synthetic organic"	""	""	""	""	"485206025"	"168510451"	""	""	""	""	""	""	""	"1-[(1S)-1-[6-chloro-1-(pyridin-3-yl)-1H-indazol-3-yl]ethyl]-3-(3-fluoro-4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine"	""	""	"ClC1=CC=C2C(N(C3=CC=CN=C3)N=C2[C@H](C)N4C=5N=CN=C(N)C5C(C6=CC(F)=C(OC)C=C6)=N4)=C1"	"ZNCDEDBKQOCMSJ-AWEZNQCLSA-N"	"InChI=1S/C26H20ClFN8O/c1-14(23-18-7-6-16(27)11-20(18)36(33-23)17-4-3-9-30-12-17)35-26-22(25(29)31-13-32-26)24(34-35)15-5-8-21(37-2)19(28)10-15/h3-14H,1-2H3,(H2,29,31,32)/t14-/m0/s1"	"yes"	""	""
"712"	"compound (S)-3h [PMID: 15686947]"	""	"Synthetic organic"	""	""	""	""	"135650122"	"11710462"	""	""	"CHEMBL178083"	""	""	""	""	"2-chloro-6-[(2R)-2-hydroxy-3-[(2S)-2-(phenylmethyl)pyrrolidin-1-yl]propoxy]benzonitrile"	""	"2-benzylpyrridine-substituted aryloxypropanol analogue"	"N#Cc1c(cccc1Cl)OC[C@@H](CN1CCC[C@H]1Cc1ccccc1)O"	"HSTMYWDURDPUMY-ZWKOTPCHSA-N"	"InChI=1S/C21H23ClN2O2/c22-20-9-4-10-21(19(20)13-23)26-15-18(25)14-24-11-5-8-17(24)12-16-6-2-1-3-7-16/h1-4,6-7,9-10,17-18,25H,5,8,11-12,14-15H2/t17-,18+/m0/s1"	""	""	""
"10385"	"compound T.14"	""	"Synthetic organic"	""	""	""	""	"384403664"	"138393289"	""	""	""	""	""	""	""	"3-(4-chlorophenyl)-1-{3-[(1E)-2-(4-methoxyphenyl)ethenyl]phenyl}urea"	""	""	"COc1ccc(cc1)/C=C/c1cccc(c1)NC(=O)Nc1ccc(cc1)Cl"	"VGWVPSZVSVONQT-AATRIKPKSA-N"	"InChI=1S/C22H19ClN2O2/c1-27-21-13-7-16(8-14-21)5-6-17-3-2-4-20(15-17)25-22(26)24-19-11-9-18(23)10-12-19/h2-15H,1H3,(H2,24,25,26)/b6-5+"	"yes"	""	""
"11926"	"compound VII [WO2021149692A1]"	""	"Synthetic organic"	""	""	""	""	"461663481"	"156808501"	""	""	""	""	""	""	""	"2,6-diamino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-5-[3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-1-yl]pyridine-3-carboxamide"	""	""	"Nc1c(C(=O)NCc2ccc(cc2)OCC(F)(F)F)cc(c(n1)N)n1nc(nc1)C1(CC1)C(F)(F)F"	"FIWILGQIZHDAQG-UHFFFAOYSA-N"	"InChI=1S/C21H19F6N7O2/c22-20(23,24)9-36-12-3-1-11(2-4-12)8-30-17(35)13-7-14(16(29)32-15(13)28)34-10-31-18(33-34)19(5-6-19)21(25,26)27/h1-4,7,10H,5-6,8-9H2,(H,30,35)(H4,28,29,32)"	""	"yes"	""
"11562"	"compound V [PMID: 29351497]"	""	"Synthetic organic"	""	""	""	""	"441604934"	"41143031"	""	""	""	""	""	""	""	"4-tert-butyl-N-[6-(furan-2-ylmethylsulfanyl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide"	""	""	"O=C(c1ccc(cc1)C(C)(C)C)Nc1cc2c(cc1SCc1ccco1)n(c(=O)n2C)C"	"YTVRQZGDIKFCPL-UHFFFAOYSA-N"	"InChI=1S/C25H27N3O3S/c1-25(2,3)17-10-8-16(9-11-17)23(29)26-19-13-20-21(28(5)24(30)27(20)4)14-22(19)32-15-18-7-6-12-31-18/h6-14H,15H2,1-5H3,(H,26,29)"	""	""	""
"13423"	"compound XVI [PMID: 38863440]"	""	"Synthetic organic"	""	""	""	""	"496703393"	"171061356"	""	""	""	""	""	""	""	"furan-2-yl-[4-(1-phenylpiperidin-4-yl)piperazin-1-yl]methanone"	""	""	"O=C(N1CCN(CC1)C2CCN(CC2)C3=CC=CC=C3)C4=CC=CO4"	"KVMLSNMTOXSTIK-UHFFFAOYSA-N"	"InChI=1S/C20H25N3O2/c24-20(19-7-4-16-25-19)23-14-12-22(13-15-23)18-8-10-21(11-9-18)17-5-2-1-3-6-17/h1-7,16,18H,8-15H2"	"yes"	""	""
"9218"	"compstatin"	""	"Peptide"	""	""	""	""	"315661294"	"25082538"	""	""	"CHEMBL266963"	""	""	""	""	"2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-34-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-25-(3-amino-3-oxopropyl)-7-[3-(diaminomethylideneamino)propyl]-10,13-bis(1H-imidazol-5-ylmethyl)-19-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-28,31-di(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-22-yl]acetic acid"	""	""	"CC[C@@H]([C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2[nH]cnc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)CCC(=O)N)CC(=O)O)Cc1c[nH]c2c1cccc2)Cc1[nH]cnc1)C(=O)N[C@H](C(=O)N)[C@H](O)C)N)C"	"RDTRHBCZFDCUPW-KWICJJCGSA-N"	"InChI=1S/C66H99N23O17S2/c1-8-32(6)50(68)63(104)86-46-27-108-107-26-45(62(103)89-53(33(7)90)54(69)95)85-56(97)39(14-11-17-74-66(70)71)80-59(100)43(20-36-24-73-29-78-36)83-58(99)42(19-35-23-72-28-77-35)79-48(92)25-76-55(96)41(18-34-22-75-38-13-10-9-12-37(34)38)82-60(101)44(21-49(93)94)84-57(98)40(15-16-47(67)91)81-64(105)51(30(2)3)88-65(106)52(31(4)5)87-61(46)102/h9-10,12-13,22-24,28-33,39-46,50-53,75,90H,8,11,14-21,25-27,68H2,1-7H3,(H2,67,91)(H2,69,95)(H,72,77)(H,73,78)(H,76,96)(H,79,92)(H,80,100)(H,81,105)(H,82,101)(H,83,99)(H,84,98)(H,85,97)(H,86,104)(H,87,102)(H,88,106)(H,89,103)(H,93,94)(H4,70,71,74)/t32-,33+,39-,40-,41-,42-,43-,44-,45-,46-,50-,51-,52-,53-/m0/s1"	"yes"	""	""
"4161"	"conantokin-G"	""	"Peptide"	""	""	""	""	"178100981"	"16181638"	"P07231"	""	"CHEMBL525025"	""	""	""	""	""	""	"conotoxin GV"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)CCC(=O)O)CC(C(=O)O)C(=O)O)CC(C(=O)O)C(=O)O)CC(C)C)CCC(=O)N)CC(C(=O)O)C(=O)O)CC(=O)N)CCC(=O)N)CC(C(=O)O)C(=O)O)CC(C)C)CCCNC(=N)N)CC(C(=O)O)C(=O)O"	"HTBKFGWATIYCSF-QGXIKSNHSA-N"	"InChI=1S/C88H138N26O44/c1-7-34(6)61(77(138)103-41(12-10-20-98-88(96)97)63(124)107-48(23-35(78(139)140)79(141)142)69(130)100-40(11-8-9-19-89)64(125)113-54(31-115)76(137)104-45(62(95)123)28-57(93)118)114-75(136)47(22-33(4)5)106-70(131)49(24-36(80(143)144)81(145)146)109-67(128)44(14-17-56(92)117)102-74(135)53(29-58(94)119)112-73(134)51(26-38(84(151)152)85(153)154)110-66(127)43(13-16-55(91)116)101-68(129)46(21-32(2)3)105-71(132)52(27-39(86(155)156)87(157)158)111-72(133)50(25-37(82(147)148)83(149)150)108-65(126)42(15-18-60(121)122)99-59(120)30-90/h32-54,61,115H,7-31,89-90H2,1-6H3,(H2,91,116)(H2,92,117)(H2,93,118)(H2,94,119)(H2,95,123)(H,99,120)(H,100,130)(H,101,129)(H,102,135)(H,103,138)(H,104,137)(H,105,132)(H,106,131)(H,107,124)(H,108,126)(H,109,128)(H,110,127)(H,111,133)(H,112,134)(H,113,125)(H,114,136)(H,121,122)(H,139,140)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H4,96,97,98)/t34-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1"	""	""	""
"14582"	"conbercept"	""	"Peptide"	"yes"	""	""	""	"530846830"	"0"	""	""	""	""	""	""	""	""	"conbercept"	"KH902|KH903|Lumitin&reg; (China)"	""	""	""	""	""	""
"4162"	"concanavalin A"	""	"Peptide"	""	""	""	""	"178100982"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11182"	"concizumab"	""	"Antibody"	"yes"	""	""	""	"434122242"	"0"	""	""	""	""	""	""	""	""	"concizumab"	"Alhemo&reg;|Anti-TFPI|concizumab-mtci|mab2021|NN7415"	""	""	""	""	""	""
"8981"	"conessine"	""	"Natural product"	""	""	""	""	"310264761"	"441082"	""	""	""	""	""	""	""	""	""	""	"CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C"	"GPLGAQQQNWMVMM-MYAJQUOBSA-N"	"InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16-,18-,19+,20+,21-,22-,23-,24-/m0/s1"	""	""	""
"7627"	"conestat alfa"	""	"Peptide"	"yes"	""	""	""	"223365962"	"0"	""	""	""	""	""	""	""	""	"conestat alfa"	"rhC1INH|Ruconest&reg;"	""	""	""	""	""	""
"2203"	"conivaptan"	""	"Synthetic organic"	"yes"	""	""	""	"135651340"	"151171"	""	""	"CHEMBL1755"	""	""	""	""	"N-[4-(2-methyl4,5-dihydro-3H-imidazo[5,4-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide"	"conivaptan"	"Vaprisol&reg;|YM-087|YM087"	"Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1"	"IKENVDNFQMCRTR-UHFFFAOYSA-N"	"InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)"	""	""	""
"7758"	"conkunitzin-S1 toxin"	""	"Peptide"	""	""	""	""	"223366091"	"0"	"P0C1X2"	""	""	""	""	""	""	""	""	"conk-S1|Kunitz-type conkunitzin-S1"	""	""	""	""	""	""
"8927"	"connective tissue growth factor"	"Human"	"Peptide"	""	""	""	""	"310264708"	"0"	"P29279"	"ENSG00000118523"	""	""	""	""	""	""	""	"CTGF"	""	""	""	""	""	""
"7742"	"conopeptide Y-PI1"	""	"Peptide"	""	""	""	""	"223366075"	"134813892"	"B3SVF0"	""	""	""	""	""	""	""	""	""	"CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)[C@H](CC)C)Cc1ccc(cc1)O)Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N)Cc1ccccc1)CC(C)C)Cc1c[nH]cn1)Cc1ccccc1)CCC(=O)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CC(C)C)Cc1ccc(cc1)O)CCCN=C(N)N)Cc1ccc(cc1)O)CC(C)C)CCCN=C(N)N)Cc1ccccc1)CC(C)C)Cc1c[nH]cn1)CCCN=C(N)N)Cc1ccc(cc1)O)C"	"MNFKIRAJURGUGP-CWBJURCASA-N"	"InChI=1S/C203H282N50O42/c1-16-113(11)165(192(288)229-143(44-31-85-222-203(214)215)174(270)247-161(198(294)295)102-128-61-77-138(263)78-62-128)248-188(284)156(99-125-55-71-135(260)72-56-125)239-185(281)155(98-124-53-69-134(259)70-54-124)244-193(289)166(114(12)17-2)249-191(287)163-46-33-87-253(163)196(292)159(101-127-59-75-137(262)76-60-127)245-173(269)141(42-29-83-220-201(210)211)227-186(282)158(103-129-105-216-107-223-129)241-176(272)145(88-109(3)4)231-181(277)150(93-119-36-23-19-24-37-119)235-172(268)142(43-30-84-221-202(212)213)230-194(290)167(116(14)254)250-187(283)148(91-112(9)10)233-183(279)152(96-122-49-65-132(257)66-50-122)236-171(267)140(41-28-82-219-200(208)209)226-179(275)151(95-121-47-63-131(256)64-48-121)238-177(273)147(90-111(7)8)243-195(291)168(117(15)255)251-189(285)157(100-126-57-73-136(261)74-58-126)240-184(280)153(97-123-51-67-133(258)68-52-123)237-175(271)144(79-80-164(205)264)228-180(276)154(94-120-38-25-20-26-39-120)242-190(286)162-45-32-86-252(162)197(293)160(104-130-106-217-108-224-130)246-178(274)146(89-110(5)6)232-182(278)149(92-118-34-21-18-22-35-118)234-170(266)139(225-169(265)115(13)204)40-27-81-218-199(206)207/h18-26,34-39,47-78,105-117,139-163,165-168,254-263H,16-17,27-33,40-46,79-104,204H2,1-15H3,(H2,205,264)(H,216,223)(H,217,224)(H,225,265)(H,226,275)(H,227,282)(H,228,276)(H,229,288)(H,230,290)(H,231,277)(H,232,278)(H,233,279)(H,234,266)(H,235,268)(H,236,267)(H,237,271)(H,238,273)(H,239,281)(H,240,280)(H,241,272)(H,242,286)(H,243,291)(H,244,289)(H,245,269)(H,246,274)(H,247,270)(H,248,284)(H,249,287)(H,250,283)(H,251,285)(H,294,295)(H4,206,207,218)(H4,208,209,219)(H4,210,211,220)(H4,212,213,221)(H4,214,215,222)/t113-,114-,115-,116+,117+,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,165-,166-,167-,168-/m0/s1"	""	""	""
"13681"	"consomatin Fj1"	""	"Peptide"	""	""	""	""	"507750315"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6617"	"contactin-1"	"Human"	"Peptide"	""	""	""	""	"178103230"	"0"	"Q12860"	"ENSG00000018236"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6609"	"contactin-3"	"Human"	"Peptide"	""	""	""	""	"178103222"	"0"	"Q9P232"	"ENSG00000113805"	""	""	""	""	""	""	""	"BIG-1|PANG"	""	""	""	""	""	""
"6612"	"contactin-4"	"Human"	"Peptide"	""	""	""	""	"178103225"	"0"	"Q8IWV2"	"ENSG00000144619"	""	""	""	""	""	""	""	"BIG-2"	""	""	""	""	""	""
"6613"	"contactin-5"	"Human"	"Peptide"	""	""	""	""	"178103226"	"0"	"O94779"	"ENSG00000149972"	""	""	""	""	""	""	""	"hNB-2|NB-2"	""	""	""	""	""	""
"6614"	"contactin-6"	"Human"	"Peptide"	""	""	""	""	"178103227"	"0"	"Q9UQ52"	"ENSG00000134115"	""	""	""	""	""	""	""	"NB-3|neural adhesion molecule"	""	""	""	""	""	""
"9763"	"conteltinib"	""	"Synthetic organic"	"yes"	""	""	""	"354702236"	"89860551"	""	""	""	""	""	""	""	"2-[[2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide"	"conteltinib"	"CT-707|CT707|example 96 [WO2012092880]|SY-707|US9428508, 96"	"COc1cc(ccc1Nc1nc2NCCc2c(n1)Nc1ccccc1S(=O)(=O)NC(C)C)N1CCC(CC1)N1CCN(CC1)C"	"NPJCURIANJMFEO-UHFFFAOYSA-N"	"InChI=1S/C32H45N9O3S/c1-22(2)38-45(42,43)29-8-6-5-7-27(29)34-31-25-11-14-33-30(25)36-32(37-31)35-26-10-9-24(21-28(26)44-4)40-15-12-23(13-16-40)41-19-17-39(3)18-20-41/h5-10,21-23,38H,11-20H2,1-4H3,(H3,33,34,35,36,37)"	""	""	""
"10795"	"contezolid"	""	"Synthetic organic"	"yes"	""	""	""	"405560236"	"25184541"	""	""	"CHEMBL3287379"	""	""	""	""	"(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one"	"contezolid"	"MRX-1|MRX-I|Youxitai&reg;"	"O=C1CCN(C=C1)c1c(F)cc(c(c1F)F)N1C[C@@H](OC1=O)CNc1ccon1"	"SULYVXZZUMRQAX-NSHDSACASA-N"	"InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1"	""	""	"yes"
"10796"	"contezolid acefosamil (parent)"	""	"Synthetic organic"	""	""	""	""	"405560237"	"91864617"	""	""	"CHEMBL4301914"	""	""	""	""	""	""	"MRX-4"	"O=C1CCN(C=C1)c1c(F)cc(c(c1F)F)N1C[C@@H](OC1=O)CN(P(=O)(OC(=O)C)O)c1ccon1"	"YCRAGJLWFBGKFE-CYBMUJFWSA-N"	"InChI=1S/C20H18F3N4O8P/c1-11(28)35-36(31,32)27(16-4-7-33-24-16)10-13-9-26(20(30)34-13)15-8-14(21)19(18(23)17(15)22)25-5-2-12(29)3-6-25/h2,4-5,7-8,13H,3,6,9-10H2,1H3,(H,31,32)/t13-/m1/s1"	""	""	"yes"
"1575"	"contulakin-G"	""	"Peptide"	""	""	""	""	"135652063"	"0"	"Q9XYR5"	""	""	""	""	""	""	""	""	"CGX-1160"	""	""	""	""	""	""
"14358"	"conveglipron"	""	"Synthetic organic"	""	""	""	""	"523352150"	"166540968"	""	""	"CHEMBL5590455"	""	""	""	""	"2-[[4-[6-[[2-fluoro-4-(oxetan-3-yl)phenyl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid"	"conveglipron"	"compound 14 [PMID: 39140772]|DD202-114"	"C1CO[C@@H]1CN2C3=C(C=CC(=C3)C(=O)O)N=C2CN4CCC(CC4)C5=NC(=CC=C5)OCC6=C(C=C(C=C6)C7COC7)F"	"SFKAXUUDIGSMBK-SANMLTNESA-N"	"InChI=1S/C33H35FN4O5/c34-27-14-22(25-18-41-19-25)4-5-24(27)20-43-32-3-1-2-28(36-32)21-8-11-37(12-9-21)17-31-35-29-7-6-23(33(39)40)15-30(29)38(31)16-26-10-13-42-26/h1-7,14-15,21,25-26H,8-13,16-20H2,(H,39,40)/t26-/m0/s1"	""	""	""
"13881"	"convolidine"	""	"Natural product"	""	""	""	""	"513757566"	"573663"	""	""	""	""	""	""	""	"8-azabicyclo[3.2.1]octan-3-yl 4-hydroxy-3-methoxybenzoate"	""	""	"COC1=C(C=CC(=C1)C(=O)OC2CC3CCC(C2)N3)O"	"GWWGRYGNRKFSSX-UHFFFAOYSA-N"	"InChI=1S/C15H19NO4/c1-19-14-6-9(2-5-13(14)17)15(18)20-12-7-10-3-4-11(8-12)16-10/h2,5-6,10-12,16-17H,3-4,7-8H2,1H3"	""	""	""
"2715"	"COOH"	""	"Synthetic organic"	""	""	""	""	"53801056"	"10025649"	""	""	""	""	""	""	""	"2-[2-[2-[4-(phenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]acetic acid"	""	"LS-191838"	"CCCc1cc(ccc1OCCc1cc2c([nH]1)ccc(c2)CC(=O)O)Oc1ccccc1"	"DFFOSEJNFZUOSK-UHFFFAOYSA-N"	"InChI=1S/C27H27NO4/c1-2-6-20-18-24(32-23-7-4-3-5-8-23)10-12-26(20)31-14-13-22-17-21-15-19(16-27(29)30)9-11-25(21)28-22/h3-5,7-12,15,17-18,28H,2,6,13-14,16H2,1H3,(H,29,30)"	""	""	""
"2463"	"cooling agent 10"	""	"Synthetic organic"	""	""	""	""	"53801004"	"5362595"	""	""	""	""	""	""	""	"3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol"	""	"(-)-menthoxypropane-1,2-diol"	"OCC(COC1CC(C)CCC1C(C)C)O"	"MDVYIGJINBYKOM-UHFFFAOYSA-N"	"InChI=1S/C13H26O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-15H,4-8H2,1-3H3"	""	""	""
"7875"	"copanlisib"	""	"Synthetic organic"	"yes"	""	""	""	"223366204"	"135565596"	""	""	"CHEMBL3218576"	""	""	""	""	"2-amino-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide"	"copanlisib"	"Aliqopa&reg;|BAY 80-6946|BAY80-6946"	"COc1c(OCCCN2CCOCC2)ccc2c1nc(=NC(=O)c1cnc(nc1)N)n1c2NCC1"	"MWYDSXOGIBMAET-UHFFFAOYSA-N"	"InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14,25H,2,5-12H2,1H3,(H2,24,26,27)"	""	""	""
"11029"	"Corallopyronin A"	""	"Natural product"	""	""	""	""	"405560470"	"135570663"	""	""	""	""	""	""	""	"methyl N-[(E)-5-[4-hydroxy-5-[(2E,4E,9E,12E)-8-hydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraenoyl]-6-oxopyran-2-yl]hex-1-enyl]carbamate"	""	"CorA|LS-54950|LS54950"	"C/C=C/C/C=C(/C(CC/C(=C/C=C(/C(=O)c1c(O)cc(oc1=O)C(CC/C=C/NC(=O)OC)C)\C)/C)O)\C"	"FPBHSTHTCPCNBS-QXMYDWGFSA-N"	"InChI=1S/C30H41NO7/c1-7-8-9-12-21(3)24(32)17-15-20(2)14-16-23(5)28(34)27-25(33)19-26(38-29(27)35)22(4)13-10-11-18-31-30(36)37-6/h7-8,11-12,14,16,18-19,22,24,32-33H,9-10,13,15,17H2,1-6H3,(H,31,36)/b8-7+,18-11+,20-14+,21-12+,23-16+"	""	""	"yes"
"508"	"corbadrine"	""	"Synthetic organic"	"yes"	""	""	""	"135649925"	"164739"	""	""	"CHEMBL677"	""	""	""	""	"4-[(1R,2S)-2-amino-1-hydroxypropyl]benzene-1,2-diol"	"corbadrine"	"&alpha;-Me-NE|&alpha;-methylnoradrenaline|&alpha;-methylnorepinephrine|levonordefrin|Neo-Cobefrin&reg;|Nordefrin&reg;"	"C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N"	"GEFQWZLICWMTKF-CDUCUWFYSA-N"	"InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9-/m0/s1"	""	""	""
"4630"	"cordycepin"	""	"Natural product"	""	""	""	""	"178101348"	"6303"	""	""	"CHEMBL305686"	""	""	""	""	"(2R,3R,5S)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-ol"	""	"3'-deoxyadenosine"	"OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O"	"OFEZSBMBBKLLBJ-BAJZRUMYSA-N"	"InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1"	""	""	""
"9535"	"CORM-2"	""	"Synthetic organic"	""	""	""	""	"336446921"	"10951331"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"2555"	"correolide"	""	"Natural product"	""	""	""	""	"135652678"	"11643509"	""	""	""	""	""	""	""	""	""	""	"COC(=O)[C@@]12O[C@@H]1C(=C)C[C@@]1([C@@]2(C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]2([C@H]1CC[C@@]1([C@@H]2[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@]2([C@H]1C=CC(=O)OC2)C(OC(=O)C)C)C)C)O"	"VKDXHXWBOARFPD-IHWRNOMOSA-N"	"InChI=1S/C40H52O16/c1-18-16-39(48)26-14-15-35(8)25-12-13-27(46)50-17-38(25,19(2)51-20(3)41)31(53-22(5)43)28(52-21(4)42)29(35)36(26,9)32(54-23(6)44)33(55-24(7)45)37(39,10)40(30(18)56-40)34(47)49-11/h12-13,19,25-26,28-33,48H,1,14-17H2,2-11H3/t19?,25-,26+,28-,29-,30+,31-,32+,33-,35-,36-,37+,38+,39+,40-/m0/s1"	""	""	""
"2869"	"corticosterone"	""	"Metabolite"	""	""	""	""	"135651462"	"5753"	""	""	"CHEMBL110739"	""	""	""	""	"(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one"	""	""	"OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C"	"OMFXVFTZEKFJBZ-HJTSIMOOSA-N"	"InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1"	"yes"	""	""
"912"	"corticotrophin-releasing hormone"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651696"	"0"	"P01143|Q8CIT0|P06850"	"ENSG00000147571|ENSMUSG00000049796|ENSRNOG00000012703"	""	""	""	""	""	""	""	"CRF"	""	""	""	""	""	""
"913"	"corticotropin-releasing factor"	"Sheep"	"Peptide"	""	""	""	""	"135652064"	"0"	"P01142"	""	""	""	""	""	""	""	""	"corticoliberin|CRF|endorpholiberin"	""	""	""	""	""	""
"6967"	"corticotropin zinc hydroxide"	""	"Peptide"	"yes"	""	""	""	"178103547"	"44362115"	""	""	"CHEMBL1201609"	""	""	""	""	""	"corticotropin zinc hydroxide"	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](CC)C)CCC(=O)O)CCSC)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CCC(=O)O)CCC(=O)O)CO)CC(C)C)CC(=O)O)CC(C)C)Cc1ccccc1)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCN=C(N)N)CCC(=O)O)CC(C)C)CCC(=O)O)CCSC)C)CCCN=C(N)N)C)CCC(=O)O)CCC(=O)N)CC(C)C)C)CCC(=O)N)CCC(=O)N)C)Cc1nc[nH]c1)CO)CC(=O)N)CCCN=C(N)N"	"PNMZQWKBJIQQJL-FAUHKOHMSA-N"	"InChI=1S/C208H343N59O64S2/c1-30-106(20)161(263-198(323)147-49-41-75-266(147)204(329)148-50-42-76-267(148)203(328)132(59-68-158(286)287)246-179(304)126(55-64-154(278)279)235-169(294)117(210)93-268)200(325)260-146(95-270)197(322)253-137(83-102(12)13)189(314)256-144(90-159(288)289)194(319)252-139(85-104(16)17)195(320)265-164(113(27)271)202(327)258-140(86-114-43-34-33-35-44-114)190(315)254-142(88-116-92-222-97-227-116)191(316)251-136(82-101(10)11)188(313)250-135(81-100(8)9)185(310)237-121(48-40-74-225-208(219)220)174(299)241-128(57-66-156(282)283)182(307)261-160(105(18)19)199(324)257-138(84-103(14)15)187(312)243-127(56-65-155(280)281)178(303)244-130(69-77-332-28)172(297)230-109(23)165(290)232-119(46-38-72-223-206(215)216)170(295)228-110(24)166(291)234-125(54-63-153(276)277)177(302)240-124(53-62-151(213)274)180(305)248-133(79-98(4)5)184(309)231-111(25)167(292)233-123(52-61-150(212)273)176(301)239-122(51-60-149(211)272)171(296)229-112(26)168(293)247-141(87-115-91-221-96-226-115)192(317)259-145(94-269)196(321)255-143(89-152(214)275)193(318)238-120(47-39-73-224-207(217)218)173(298)236-118(45-36-37-71-209)175(300)249-134(80-99(6)7)186(311)245-131(70-78-333-29)181(306)242-129(58-67-157(284)285)183(308)262-162(107(21)31-2)201(326)264-163(205(330)331)108(22)32-3/h33-35,43-44,91-92,96-113,117-148,160-164,268-271H,30-32,36-42,45-90,93-95,209-210H2,1-29H3,(H2,211,272)(H2,212,273)(H2,213,274)(H2,214,275)(H,221,226)(H,222,227)(H,228,295)(H,229,296)(H,230,297)(H,231,309)(H,232,290)(H,233,292)(H,234,291)(H,235,294)(H,236,298)(H,237,310)(H,238,318)(H,239,301)(H,240,302)(H,241,299)(H,242,306)(H,243,312)(H,244,303)(H,245,311)(H,246,304)(H,247,293)(H,248,305)(H,249,300)(H,250,313)(H,251,316)(H,252,319)(H,253,322)(H,254,315)(H,255,321)(H,256,314)(H,257,324)(H,258,327)(H,259,317)(H,260,325)(H,261,307)(H,262,308)(H,263,323)(H,264,326)(H,265,320)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,330,331)(H4,215,216,223)(H4,217,218,224)(H4,219,220,225)/t106-,107-,108-,109-,110-,111-,112-,113+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,160-,161-,162-,163-,164-/m0/s1"	"yes"	""	""
"2868"	"cortisol"	""	"Metabolite"	"yes"	""	""	""	"53801089"	"5754"	""	""	"CHEMBL389621"	""	""	""	""	"(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one"	"hydrocortisone"	"Acticort&reg;|Efmody&reg;|Plenadren&reg;"	"OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C"	"JYGXADMDTFJGBT-VWUMJDOOSA-N"	"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1"	"yes"	""	""
"5171"	"cortisone"	""	"Metabolite"	""	""	""	""	"178101861"	"222786"	""	""	"CHEMBL1499"	""	""	""	""	"(1S,2R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,17-dione"	"cortisone"	"11-dehydro-17-hydroxycorticosterone|17-hydroxy-11-dehydrocorticosterone"	"OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C"	"MFYSYFVPBJMHGN-ZPOLXVRWSA-N"	"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1"	""	""	""
"2007"	"cortistatin-14"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651697"	"0"	"P56469|Q62949"	"ENSMUSG00000028971"	""	""	""	""	""	""	""	"cortistatin|CST-14"	""	""	""	""	""	""
"9885"	"cortistatin A"	""	"Natural product"	""	""	""	""	"363894179"	"11561907"	""	""	""	""	""	""	""	""	""	"(+)-cortistatin A|17-epi-cortistatin A"	"CN([C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@]2([C@H]4CC[C@@H]2c2ccc4c(c2)cncc4)C)C=C3[C@H]([C@@H]1O)O)C"	"KSGZCKSNTAJOJS-DZBMUNJRSA-N"	"InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1"	""	""	""
"11791"	"corubrutinib"	""	"Synthetic organic"	""	""	""	""	"458923826"	"135355941"	""	""	""	""	""	""	""	""	"corubrutinib"	"BIIB-091|BIIB091|compound 51 [PMID: 34734694]"	"O=C(c1cn(C(C)(C)C)nn1)N[C@H]1c2ccc(c3ccnc(Nc4cn(C)nc4)n3)cc2CN(C2COC2)CC1"	"JSAQBOQCZJHWMA-XMMPIXPASA-N"	"InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)/t24-/m1/s1"	"yes"	""	""
"5345"	"corynanthine"	""	"Natural product"	""	""	""	""	"178102007"	"92766"	""	""	"CHEMBL31410"	""	""	""	""	"methyl (1S,15R,18S,19S,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate"	""	"rauhimbine"	"COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1"	"BLGXFZZNTVWLAY-DKJBZYCGSA-N"	"InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19-/m0/s1"	""	""	""
"13676"	"cosibelimab"	""	"Antibody"	"yes"	""	""	""	"507750310"	"0"	""	""	""	""	""	""	""	""	"cosibelimab"	"CK-301|CK301|cosibelimab-ipdl|Unloxcyt&reg;"	""	""	""	""	""	""
"4160"	"Co<sup>2+</sup>"	""	"Inorganic"	""	""	""	""	"178100980"	"0"	""	""	""	""	""	""	""	""	""	"cobalt ion"	""	""	""	""	""	""
"6965"	"cosyntropin"	""	"Peptide"	"yes"	""	""	""	"178103545"	"16129617"	""	""	"CHEMBL2103784"	""	""	""	""	""	"tetracosactide"	"Cortrosyn&reg;"	"NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccc(cc1)O)C(C)C)CCCCN)C(C)C)CCCNC(=N)N)CCCNC(=N)N)CCCCN)CCCCN)C(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(CO)N)Cc1ccc(cc1)O)CO)CCSC)CCC(=O)O)Cc1c[nH]cn1)Cc1ccccc1)CCCNC(=N)N"	"ZOEFCCMDUURGSE-CQVUSSRSSA-N"	"InChI=1S/C136H210N40O31S/c1-75(2)109(127(200)154-71-106(181)156-88(31-13-17-52-137)114(187)158-89(32-14-18-53-138)115(188)159-91(35-21-56-149-134(142)143)116(189)164-96(37-23-58-151-136(146)147)131(204)175-60-25-39-104(175)126(199)173-111(77(5)6)128(201)163-90(33-15-19-54-139)120(193)171-110(76(3)4)129(202)169-101(65-80-43-47-84(180)48-44-80)132(205)176-61-26-40-105(176)133(206)207)172-125(198)103-38-24-59-174(103)130(203)95(34-16-20-55-140)157-107(182)70-153-113(186)99(66-81-68-152-87-30-12-11-29-85(81)87)167-117(190)92(36-22-57-150-135(144)145)160-121(194)98(63-78-27-9-8-10-28-78)166-123(196)100(67-82-69-148-74-155-82)168-118(191)93(49-50-108(183)184)161-119(192)94(51-62-208-7)162-124(197)102(73-178)170-122(195)97(165-112(185)86(141)72-177)64-79-41-45-83(179)46-42-79/h8-12,27-30,41-48,68-69,74-77,86,88-105,109-111,152,177-180H,13-26,31-40,49-67,70-73,137-141H2,1-7H3,(H,148,155)(H,153,186)(H,154,200)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,194)(H,161,192)(H,162,197)(H,163,201)(H,164,189)(H,165,185)(H,166,196)(H,167,190)(H,168,191)(H,169,202)(H,170,195)(H,171,193)(H,172,198)(H,173,199)(H,183,184)(H,206,207)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)/t86?,88-,89-,90+,91-,92+,93+,94+,95+,96-,97+,98+,99+,100+,101+,102+,103+,104+,105+,109+,110+,111+/m1/s1"	""	""	""
"10879"	"coumamycin"	""	"Synthetic organic"	""	""	""	""	"405560320"	"54675768"	""	""	""	""	""	""	""	"[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[5-[[4-hydroxy-7-[(2R,3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-2-oxochromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate"	"coumamycin"	"coumermycin A1|notomycin"	"CO[C@@H]1[C@@H](OC(=O)c2ccc([nH]2)C)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1C)oc(=O)c(c2O)NC(=O)c1c[nH]c(c1C)C(=O)Nc1c(=O)oc2c(c1O)ccc(c2C)O[C@@H]1OC(C)(C)[C@@H]([C@H]([C@H]1O)OC(=O)c1ccc([nH]1)C)OC"	"WTIJXIZOODAMJT-DHFGXMAYSA-N"	"InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m1/s1"	""	""	"yes"
"12437"	"coumestrol"	""	"Natural product"	""	""	""	""	"479821227"	"5281707"	""	""	"CHEMBL30707"	""	""	""	""	"3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one"	""	""	"C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O"	"ZZIALNLLNHEQPJ-UHFFFAOYSA-N"	"InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H"	""	""	""
"13632"	"CoV 3CLpro PROTAC 1"	""	"Synthetic organic"	""	""	""	""	"504705451"	"172431613"	""	""	""	""	""	""	""	"benzyl N-[(1S)-1-{[(3E)-5-[4-({1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]piperidin-4-yl}methyl)piperazin-1-yl]-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl]carbamoyl}-3-methylbutyl]carbamate"	""	"PROTAC 1 [PMID: 38352832]"	"CC(C)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NC(C[C@@H]2CCNC2=O)/C=C/C(=O)N3CCN(CC4CCN(CC4)C5=CC6=C(C=C5F)C(=O)N(C7CCC(=O)NC7=O)C6=O)CC3"	"OZVSHTNTPRENCA-RXXOHZBUSA-N"	"InChI=1S/C46H57FN8O9/c1-28(2)22-36(50-46(63)64-27-30-6-4-3-5-7-30)42(59)49-32(23-31-12-15-48-41(31)58)8-11-40(57)54-20-18-52(19-21-54)26-29-13-16-53(17-14-29)38-25-34-33(24-35(38)47)44(61)55(45(34)62)37-9-10-39(56)51-43(37)60/h3-8,11,24-25,28-29,31-32,36-37H,9-10,12-23,26-27H2,1-2H3,(H,48,58)(H,49,59)(H,50,63)(H,51,56,60)/b11-8+/t31-,32?,36-,37?/m0/s1"	""	""	""
"10469"	"COVA322"	""	"Antibody"	""	""	""	""	"385612229"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"12594"	"CoV Mpro CRBN PROTAC 9 [US11530195]"	""	"Synthetic organic"	""	""	""	""	"479821384"	"166611734"	""	""	""	""	""	""	""	"5-[4-[[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]pentanamide"	""	""	"CN1C=C2C=C(C(=CC2=N1)Cl)NC3=NC(=O)N(C(=O)N3CC4=CC(=C(C=C4F)F)F)CC5=CN(N=N5)CCCCC(=O)NC6=CC=CC7=C6C(=O)N(C7=O)C8CCC(=O)NC8=O"	"ZMVXPXROBBLOPO-UHFFFAOYSA-N"	"InChI=1S/C39H32ClF3N12O7/c1-51-15-20-12-29(23(40)13-28(20)49-51)45-37-47-38(61)54(39(62)53(37)16-19-11-25(42)26(43)14-24(19)41)18-21-17-52(50-48-21)10-3-2-7-31(56)44-27-6-4-5-22-33(27)36(60)55(35(22)59)30-8-9-32(57)46-34(30)58/h4-6,11-15,17,30H,2-3,7-10,16,18H2,1H3,(H,44,56)(H,45,47,61)(H,46,57,58)"	""	""	""
"12595"	"CoV Mpro VHL PROTAC 9 [US11518759]"	""	"Synthetic organic"	""	""	""	""	"479821385"	"166047891"	""	""	""	""	""	""	""	"(2S,4R)-1-[(2S)-2-[[2-[2-[2-[4-[[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide"	""	"example 9 [US11518759]"	"CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCN4C=C(N=N4)CN5C(=O)N=C(N(C5=O)CC6=CC(=C(C=C6F)F)F)NC7=CC8=CN(N=C8C=C7Cl)C)O"	"RDBWQVIJCQWJIZ-XREHLNMBSA-N"	"InChI=1S/C49H53ClF3N13O8S/c1-27-42(75-26-55-27)29-8-6-28(7-9-29)19-54-44(69)40-16-33(67)24-64(40)45(70)43(49(2,3)4)57-41(68)25-74-13-12-73-11-10-63-22-32(59-61-63)23-66-47(71)58-46(56-39-15-31-20-62(5)60-38(31)17-34(39)50)65(48(66)72)21-30-14-36(52)37(53)18-35(30)51/h6-9,14-15,17-18,20,22,26,33,40,43,67H,10-13,16,19,21,23-25H2,1-5H3,(H,54,69)(H,57,68)(H,56,58,71)/t33-,40+,43-/m1/s1"	""	""	""
"13634"	"CoV nsp16 inhibitor 2a [PMID: 34257831]"	""	"Synthetic organic"	""	""	""	""	"504705453"	"164628824"	""	""	"CHEMBL4874278"	""	""	""	""	"3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanylmethyl]benzoic acid"	""	""	"NC1=C2N=CN(C2=NC=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC=4C=C(C(=O)O)C=CC4)O)O"	"FRBGIZZDIAVFAN-LSCFUAHRSA-N"	"InChI=1S/C18H19N5O5S/c19-15-12-16(21-7-20-15)23(8-22-12)17-14(25)13(24)11(28-17)6-29-5-9-2-1-3-10(4-9)18(26)27/h1-4,7-8,11,13-14,17,24-25H,5-6H2,(H,26,27)(H2,19,20,21)/t11-,13-,14-,17-/m1/s1"	""	""	""
"10280"	"Cp-1"	""	"Synthetic organic"	""	""	""	""	"381744961"	"59389630"	""	""	""	""	""	""	""	"(2R)-2-[(1S)-6,7-dimethoxy-1-[2-[6-(trifluoromethyl)-2-tritiopyridin-3-yl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-(2-tritiophenyl)acetamide"	""	""	"CNC(=O)[C@H](N1CCc2c([C@@H]1CCc1ccc(nc1)C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1"	"FIINKDGVMNTVCW-BKMJKUGQSA-N"	"InChI=1S/C28H30F3N3O3/c1-32-27(35)26(19-7-5-4-6-8-19)34-14-13-20-15-23(36-2)24(37-3)16-21(20)22(34)11-9-18-10-12-25(33-17-18)28(29,30)31/h4-8,10,12,15-17,22,26H,9,11,13-14H2,1-3H3,(H,32,35)/t22-,26+/m0/s1"	""	""	""
"11662"	"CP-10"	""	"Synthetic organic"	""	""	""	""	"442878688"	"138911323"	""	""	"CHEMBL4553408"	""	""	""	""	""	""	""	"Cc1c(c(=O)n(c2nc(ncc12)Nc1ncc(cc1)N1CCN(CC1)Cc1cn(nn1)CCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)C1CCCC1)C=O"	"MZTSDEMVUMXQFP-UHFFFAOYSA-N"	"InChI=1S/C43H47N13O7/c1-26-31-22-46-43(49-38(31)55(28-5-2-3-6-28)41(61)32(26)25-57)47-35-11-9-29(21-45-35)53-16-14-52(15-17-53)23-27-24-54(51-50-27)18-20-63-19-13-44-33-8-4-7-30-37(33)42(62)56(40(30)60)34-10-12-36(58)48-39(34)59/h4,7-9,11,21-22,24-25,28,34,44H,2-3,5-6,10,12-20,23H2,1H3,(H,48,58,59)(H,45,46,47,49)"	""	""	""
"3368"	"CP105696"	""	"Synthetic organic"	""	""	""	""	"178100392"	"9867257"	""	""	"CHEMBL51770"	""	""	""	""	"1-[(3S,4R)-4-hydroxy-3-[(4-phenylphenyl)methyl]chroman-7-yl]cyclopentane-1-carboxylic acid"	""	"CP 105696|CP-105,696|CP-105696"	"OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1"	"KMNLXCBYBKHKSK-BKMJKUGQSA-N"	"InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1"	"yes"	""	""
"110"	"CP-122288"	""	"Synthetic organic"	""	""	""	""	"135650124"	"132552"	""	""	"CHEMBL159332"	""	""	""	""	"N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide"	""	"CP 122288|CP-122,288|CP122288"	"CNS(=O)(=O)Cc1ccc2c(c1)c(c[nH]2)C[C@H]1CCCN1C"	"BWQZTHPHLITOOZ-CQSZACIVSA-N"	"InChI=1S/C16H23N3O2S/c1-17-22(20,21)11-12-5-6-16-15(8-12)13(10-18-16)9-14-4-3-7-19(14)2/h5-6,8,10,14,17-18H,3-4,7,9,11H2,1-2H3/t14-/m1/s1"	""	""	""
"3495"	"CP 154,526"	""	"Synthetic organic"	""	""	""	""	"178100483"	"5311055"	""	""	"CHEMBL9946"	""	""	""	""	"N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[3,2-e]pyrimidin-4-amine"	""	"CP-154526|CP154,526|CP154526"	"CCCCN(c1nc(C)nc2c1c(C)cn2c1c(C)cc(cc1C)C)CC"	"FHQYJZCJRZHINA-UHFFFAOYSA-N"	"InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3"	""	""	""
"6155"	"CP-195543"	""	"Synthetic organic"	""	""	""	""	"178102776"	"9823886"	""	""	"CHEMBL301829"	""	""	""	""	"2-[(3S,4R)-4-hydroxy-3-(phenylmethyl)chroman-7-yl]-4-(trifluoromethyl)benzoic acid"	""	"CP 195543|CP-195,543|CP195543"	"O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1"	"NZQDWKCNBOELAI-KSFYIVLOSA-N"	"InChI=1S/C24H19F3O4/c25-24(26,27)17-7-9-18(23(29)30)20(12-17)15-6-8-19-21(11-15)31-13-16(22(19)28)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28H,10,13H2,(H,29,30)/t16-,22+/m0/s1"	"yes"	""	""
"973"	"CP-226269"	""	"Synthetic organic"	""	""	""	""	"135650125"	"9796720"	""	""	"CHEMBL77395"	""	""	""	""	"5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole"	""	"CP 226269|CP-226,269|CP226269"	"Fc1ccc2c(c1)cc([nH]2)CN1CCN(CC1)c1ccccn1"	"PQOIDBZLMJMYCD-UHFFFAOYSA-N"	"InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2"	""	""	""
"14284"	"CP-25"	""	"Synthetic organic"	""	""	""	""	"521588924"	"173640849"	""	""	""	""	""	""	""	""	""	"Paeoniflorin-6′-O-benzene sulfonate"	"O=C(C1=CC=CC=C1)OC[C@@]23[C@]4([C@]5(O[C@]2([H])O[C@@]([C@]3([H])C4)(C5)O)C)O[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)COS(=O)(C7=CC=CC=C7)=O"	"GWADTSPXFRXHLU-DMXKJYKPSA-N"	"InChI=1S/C29H32O13S/c1-26-14-28(34)19-12-29(26,27(19,25(41-26)42-28)15-37-23(33)16-8-4-2-5-9-16)40-24-22(32)21(31)20(30)18(39-24)13-38-43(35,36)17-10-6-3-7-11-17/h2-11,18-22,24-25,30-32,34H,12-15H2,1H3/t18-,19-,20-,21+,22-,24+,25-,26+,27+,28-,29+/m1/s1"	"yes"	""	""
"977"	"CP-293019"	""	"Synthetic organic"	""	""	""	""	"135650126"	"9820261"	""	""	"CHEMBL66227"	""	""	""	""	"(7R,9aS)-7-[(4-fluorophenoxy)methyl]-2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine"	""	"CP 293019|CP293019"	"Fc1ccc(cc1)OC[C@@H]1CC[C@@H]2N(C1)CCN(C2)c1ncc(cn1)F"	"QXWNESOGWFJDFR-PBHICJAKSA-N"	"InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17+/m1/s1"	""	""	""
"3058"	"CP-294838"	""	"Synthetic organic"	""	""	""	""	"135650127"	"9889227"	""	""	""	""	""	""	""	"2-[7-chloro-5-(2-chlorophenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetic acid"	""	"CP 294838|CP294838"	"OC(=O)CC1OC(c2c(N(C1=O)CC(C)(C)C)ccc(c2)Cl)c1ccccc1Cl"	"BHDQOMHFEOHAQK-UHFFFAOYSA-N"	"InChI=1S/C22H23Cl2NO4/c1-22(2,3)12-25-17-9-8-13(23)10-15(17)20(14-6-4-5-7-16(14)24)29-18(21(25)28)11-19(26)27/h4-10,18,20H,11-12H2,1-3H3,(H,26,27)"	""	""	""
"10377"	"CP-316,311"	""	"Synthetic organic"	""	""	""	""	"384403657"	"9818802"	""	""	"CHEMBL270738"	""	""	""	""	"3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine"	""	"compound 2 [PMID: 18260619]|CP-316311|CP316311"	"CCC(Oc1cc(C)nc(c1C)Oc1c(C)cc(cc1C)C)CC"	"ZSEJGVQTBLJRCQ-UHFFFAOYSA-N"	"InChI=1S/C21H29NO2/c1-8-18(9-2)23-19-12-16(6)22-21(17(19)7)24-20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3"	""	""	""
"2558"	"CP-339818"	""	"Synthetic organic"	""	""	""	""	"135650128"	"656767"	""	""	""	""	""	""	""	"N-pentyl-1-(phenylmethyl)quinolin-4-imine"	""	"CP 339818|CP339818"	"CCCCCN=c1ccn(c2c1cccc2)Cc1ccccc1"	"MMGAVKCAGQCFHS-UHFFFAOYSA-N"	"InChI=1S/C21H24N2/c1-2-3-9-15-22-20-14-16-23(17-18-10-5-4-6-11-18)21-13-8-7-12-19(20)21/h4-8,10-14,16H,2-3,9,15,17H2,1H3"	""	""	""
"3496"	"CP 376,395"	""	"Synthetic organic"	""	""	""	""	"178100484"	"9862166"	""	""	"CHEMBL270948"	""	""	""	""	"3,6-dimethyl-N-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine"	""	"compound 3a [PMID: 18288792]|CP 376395|CP-376,395|CP-376395|CP376395"	"CCC(Nc1cc(C)nc(c1C)Oc1c(C)cc(cc1C)C)CC"	"VIZBSVDBNLAVAW-UHFFFAOYSA-N"	"InChI=1S/C21H30N2O/c1-8-18(9-2)23-19-12-16(6)22-21(17(19)7)24-20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3,(H,22,23)"	""	""	""
"11809"	"CP-412,245"	""	"Synthetic organic"	""	""	""	""	"458923844"	"162366979"	""	""	""	""	""	""	""	"3-[4-chloro-2,6-bis(propan-2-yl)phenyl]-1-[3-(propan-2-yl)benzenesulfonyl]urea"	""	""	"CC(C)c1cc(ccc1)S(=O)(=O)NC(=O)Nc1c(cc(Cl)cc1C(C)C)C(C)C"	"ZKEBNWAADHAYQJ-UHFFFAOYSA-N"	"InChI=1S/C22H29ClN2O3S/c1-13(2)16-8-7-9-18(10-16)29(27,28)25-22(26)24-21-19(14(3)4)11-17(23)12-20(21)15(5)6/h7-15H,1-6H3,(H2,24,25,26)"	"yes"	""	""
"11810"	"CP-424,174"	""	"Synthetic organic"	""	""	""	""	"458923845"	"9911728"	""	""	"CHEMBL3781583"	""	""	""	""	"3-[4-chloro-2,6-bis(propan-2-yl)phenyl]-1-[3-(2-hydroxypropan-2-yl)benzenesulfonyl]urea"	""	"CP-424174"	"CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cccc(c1)C(C)(C)O"	"YRSBLSHMKVQWHP-UHFFFAOYSA-N"	"InChI=1S/C22H29ClN2O4S/c1-13(2)18-11-16(23)12-19(14(3)4)20(18)24-21(26)25-30(28,29)17-9-7-8-15(10-17)22(5,6)27/h7-14,27H,1-6H3,(H2,24,25,26)"	"yes"	""	""
"9359"	"CP466722"	""	"Synthetic organic"	""	""	""	""	"328083461"	"44551660"	""	""	"CHEMBL2143829"	""	""	""	""	"2-(6,7-dimethoxyquinazolin-4-yl)-5-pyridin-2-yl-1,2,4-triazol-3-amine"	""	"CP-466722"	"COc1cc2c(cc1OC)ncnc2n1nc(nc1N)c1ccccn1"	"ILBRKJBKDGCSCB-UHFFFAOYSA-N"	"InChI=1S/C17H15N7O2/c1-25-13-7-10-12(8-14(13)26-2)20-9-21-16(10)24-17(18)22-15(23-24)11-5-3-4-6-19-11/h3-9H,1-2H3,(H2,18,22,23)"	""	""	""
"3497"	"CP-481,715"	""	"Synthetic organic"	""	""	""	""	"178100485"	"5311123"	""	""	"CHEMBL1628706"	""	""	""	""	"N-[(2S,3S,5R)-5-carbamoyl-1-(3-fluorophenyl)-3,8-dihydroxy-8-methylnonan-2-yl]quinoxaline-2-carboxamide"	""	"CP 481715|CP-481715|CP481715"	"O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C"	"YEQJVHQCUDMXFG-FHZYATBESA-N"	"InChI=1S/C26H31FN4O4/c1-26(2,35)11-10-17(24(28)33)14-23(32)21(13-16-6-5-7-18(27)12-16)31-25(34)22-15-29-19-8-3-4-9-20(19)30-22/h3-9,12,15,17,21,23,32,35H,10-11,13-14H2,1-2H3,(H2,28,33)(H,31,34)/t17-,21+,23+/m1/s1"	""	""	""
"7881"	"CP-547632"	""	"Synthetic organic"	""	""	""	""	"223366210"	"9811611"	""	""	"CHEMBL253969"	""	""	""	""	"3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide"	""	"CP 547,632|CP 547632|CP-547,632|CP547632"	"O=C(Nc1snc(c1C(=O)N)OCc1c(F)cc(cc1F)Br)NCCCCN1CCCC1"	"HXHAJRMTJXHJJZ-UHFFFAOYSA-N"	"InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)"	""	""	""
"5568"	"CP55,244"	""	"Synthetic organic"	""	""	""	""	"178102205"	"9844074"	""	""	""	""	""	""	""	"(2R,4R,4aR,6S,8aS)-6-(hydroxymethyl)-4-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol"	""	"CP 55,244|CP 55244|CP-55,244|CP-55244|CP55244"	"CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)C[C@H]2[C@H]1C[C@@H](CO)CC2)(C)C"	"ZAELPWSCABXXAB-NWXGMGMZSA-N"	"InChI=1S/C26H42O3/c1-4-5-6-7-12-26(2,3)20-10-11-22(25(29)15-20)24-16-21(28)14-19-9-8-18(17-27)13-23(19)24/h10-11,15,18-19,21,23-24,27-29H,4-9,12-14,16-17H2,1-3H3/t18-,19-,21+,23+,24-/m0/s1"	""	""	""
"5570"	"CP55,667"	""	"Synthetic organic"	""	""	""	""	"178102206"	"4412255"	""	""	""	""	""	""	""	"2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol"	""	"CP 55,667|CP-55,667"	"CCCCCCC(c1ccc(c(c1)O)C1CC(O)CCC1CCCO)(C)C"	"YNZFFALZMRAPHQ-UHFFFAOYSA-N"	"InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3"	""	""	""
"730"	"CP55940"	""	"Synthetic organic"	""	""	""	""	"135650130"	"104895"	""	""	"CHEMBL559612"	""	""	""	""	"2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol"	""	"CP-55,940|CP-55940|CP55,940"	"CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)CC[C@H]1CCCO)(C)C"	"YNZFFALZMRAPHQ-SYYKKAFVSA-N"	"InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1"	""	""	""
"9056"	"CP-601927"	""	"Synthetic organic"	""	""	""	""	"315661141"	"11498153"	""	""	""	""	""	""	""	""	""	"CP 601927|CP-601,927"	"FC(c1ccc2c(c1)[C@H]1CNC[C@@H]2C1)(F)F"	"RNOBTWYQAWEZHH-JGVFFNPUSA-N"	"InChI=1S/C12H12F3N/c13-12(14,15)9-1-2-10-7-3-8(6-16-5-7)11(10)4-9/h1-2,4,7-8,16H,3,5-6H2/t7-,8+/m0/s1"	""	""	""
"5598"	"CP608,039"	""	"Synthetic organic"	""	""	""	""	"178102233"	"73977920"	""	""	""	""	""	""	""	"(2S,3S,4R,5R)-3-amino-5-[6-[[5-chloro-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]phenyl]methylamino]purin-9-yl]-4-hydroxy-N-methyloxolane-2-carboxamide"	""	"CP-608,039"	"CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1N)O)n1cnc2c1ncnc2NCc1cc(Cl)ccc1COc1onc(c1)C"	"KXDJDMIUJGBFAV-QYUDBREXSA-N"	"InChI=1S/C23H25ClN8O5/c1-11-5-15(37-31-11)35-8-12-3-4-14(24)6-13(12)7-27-20-17-21(29-9-28-20)32(10-30-17)23-18(33)16(25)19(36-23)22(34)26-2/h3-6,9-10,16,18-19,23,33H,7-8,25H2,1-2H3,(H,26,34)(H,27,28,29)/t16-,18+,19-,23+/m0/s1"	""	""	""
"11800"	"CP-628006"	""	"Synthetic organic"	""	""	""	""	"458923835"	"11444034"	""	""	"CHEMBL3647439"	""	""	""	""	"(4bS,7S,8aR)-4b-benzyl-7-hydroxy-N-[(2-methylpyridin-3-yl)methyl]-7-(3,3,3-trifluoropropyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide"	""	"CP628006"	"[C@H]12CCc3c(ccc(c3)C(=O)NCc3c(C)nccc3)[C@]1(Cc1ccccc1)CC[C@](O)(CCC(F)(F)F)C2"	"KCAXPRFNWUOBNC-RDAHNBDFSA-N"	"InChI=1S/C32H35F3N2O2/c1-22-26(8-5-17-36-22)21-37-29(38)25-10-12-28-24(18-25)9-11-27-20-30(39,14-16-32(33,34)35)13-15-31(27,28)19-23-6-3-2-4-7-23/h2-8,10,12,17-18,27,39H,9,11,13-16,19-21H2,1H3,(H,37,38)/t27-,30+,31+/m1/s1"	""	""	""
"12243"	"CP-640186"	""	"Synthetic organic"	""	""	""	""	"473153831"	"449097"	""	""	"CHEMBL208943"	""	""	""	""	"[(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone"	""	"compound 1 [PMID: 16973360]|CP 640,186|CP640186"	"C1C[C@H](CN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)C(=O)N1CCOCC1"	"LDQKDRLEMKIYMC-XMMPIXPASA-N"	"InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1"	""	""	""
"8069"	"CP-673451"	""	"Synthetic organic"	""	""	""	""	"249565749"	"10158940"	""	""	""	""	""	""	""	"1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine"	""	"CP-673,451|CP673451"	"COCCOc1ccc2c(c1)ncn2c1ccc2c(n1)c(ccc2)N1CCC(CC1)N"	"DEEOXSOLTLIWMG-UHFFFAOYSA-N"	"InChI=1S/C24H27N5O2/c1-30-13-14-31-19-6-7-21-20(15-19)26-16-29(21)23-8-5-17-3-2-4-22(24(17)27-23)28-11-9-18(25)10-12-28/h2-8,15-16,18H,9-14,25H2,1H3"	""	""	""
"7883"	"CP-724714"	""	"Synthetic organic"	""	""	""	""	"223366212"	"9874913"	""	""	"CHEMBL483321"	""	""	""	""	"2-methoxy-N-[(E)-3-[4-[[3-methyl-4-(6-methylpyridin-3-yl)oxyphenyl]amino]quinazolin-6-yl]prop-2-enyl]acetamide"	""	"CP 724714|CP724714"	"COCC(=O)NC/C=C/c1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)C)Oc1ccc(nc1)C"	"LLVZBTWPGQVVLW-SNAWJCMRSA-N"	"InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+"	""	""	""
"4039"	"CP734432"	""	"Synthetic organic"	""	""	""	""	"178100863"	"73755071"	""	""	""	""	""	""	""	"5-[3-[(2S)-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylate"	""	"CP 734432|CP-734432"	"O[C@@H](Cc1cccc(c1)C(F)(F)F)CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(=O)[O-]"	"JYZXGURJKNAFPT-ZWKOTPCHSA-M"	"InChI=1S/C23H26F3NO4S/c24-23(25,26)16-4-1-3-15(13-16)14-18(28)8-6-17-7-11-21(29)27(17)12-2-5-19-9-10-20(32-19)22(30)31/h1,3-4,9-10,13,17-18,28H,2,5-8,11-12,14H2,(H,30,31)/p-1/t17-,18+/m0/s1"	""	""	""
"6691"	"CP-775146"	""	"Synthetic organic"	""	""	""	""	"178103303"	"10410059"	""	""	""	""	""	""	""	"2-methyl-2-[3-[(3S)-1-[2-(4-propan-2-ylphenyl)acetyl]piperidin-3-yl]phenoxy]propanoic acid"	""	"CP775146"	"O=C(N1CCC[C@H](C1)c1cccc(c1)OC(C(=O)O)(C)C)Cc1ccc(cc1)C(C)C"	"OISHBINQIFNIPV-JOCHJYFZSA-N"	"InChI=1S/C26H33NO4/c1-18(2)20-12-10-19(11-13-20)15-24(28)27-14-6-8-22(17-27)21-7-5-9-23(16-21)31-26(3,4)25(29)30/h5,7,9-13,16,18,22H,6,8,14-15,17H2,1-4H3,(H,29,30)/t22-/m1/s1"	""	""	""
"11"	"CP 93129"	""	"Synthetic organic"	""	""	""	""	"135650131"	"124007"	""	""	"CHEMBL304008"	""	""	""	""	"3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[2,3-e]pyridin-5-one"	""	"CP-93,129|CP-93129|CP93129"	"O=c1ccc2c([nH]1)c(c[nH]2)C1=CCNCC1"	"PJYVGMRFPFNZCT-UHFFFAOYSA-N"	"InChI=1S/C12H13N3O/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8/h1-3,7,13-14H,4-6H2,(H,15,16)"	""	""	""
"3221"	"CP94253"	""	"Synthetic organic"	""	""	""	""	"178100280"	"4029677"	""	""	"CHEMBL1570196"	""	""	""	""	"4-{5-propoxypyrrolo[3,2-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine"	""	"CP-94,253|CP-94253"	"CCCOc1ccc2c(n1)c(c[nH]2)C1=CCNCC1"	"KWQWBZIGHIOKIO-UHFFFAOYSA-N"	"InChI=1S/C15H19N3O/c1-2-9-19-14-4-3-13-15(18-14)12(10-17-13)11-5-7-16-8-6-11/h3-5,10,16-17H,2,6-9H2,1H3"	""	""	""
"2102"	"CP 99994"	""	"Synthetic organic"	""	""	""	""	"135650132"	"5311057"	""	""	"CHEMBL441225"	""	""	""	""	"(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine"	""	"CP-99994|CP99994"	"COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1"	"DTQNEFOKTXXQKV-HKUYNNGSSA-N"	"InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1"	""	""	""
"1382"	"CPCCOEt"	""	"Synthetic organic"	""	""	""	""	"135650133"	"6278000"	""	""	"CHEMBL327783"	""	""	""	""	"ethyl 7-hydroxyimino-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate"	""	""	"CCOC(=O)C12CC2/C(=N\O)/c2c(O1)cccc2"	"FXCTZFMSAHZQTR-KAMYIIQDSA-N"	"InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3/b14-11-"	""	""	""
"14336"	"CPD-1224"	""	"Synthetic organic"	""	""	""	""	"523352128"	"168265663"	""	""	"CHEMBL5395301"	""	""	""	""	"5-[3-[[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]piperidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione"	""	"CPD1224"	"CC1=CC(=C(C=C1C2CCN(CC2)CC3CN(C3)C4=CC5=C(C=C4)C(=O)N(C5=O)C6CCC(=O)NC6=O)OC)NC7=NC=C(C(=N7)NC8=CC=CC=C8S(=O)(=O)C(C)C)Cl"	"YROLXKJYDUJWRK-UHFFFAOYSA-N"	"InChI=1S/C43H47ClN8O7S/c1-24(2)60(57,58)37-8-6-5-7-33(37)46-39-32(44)20-45-43(49-39)47-34-17-25(3)30(19-36(34)59-4)27-13-15-50(16-14-27)21-26-22-51(23-26)28-9-10-29-31(18-28)42(56)52(41(29)55)35-11-12-38(53)48-40(35)54/h5-10,17-20,24,26-27,35H,11-16,21-23H2,1-4H3,(H,48,53,54)(H2,45,46,47,49)"	""	""	""
"14096"	"Cpd8l [PMID: 40040241]"	""	"Synthetic organic"	""	""	""	""	"518520723"	"175498900"	""	""	""	""	""	""	""	"3-[(2-methylphenyl)methyl]-6-piperidin-4-yl-3H-2-benzofuran-1-one"	""	""	"CC1=CC=CC=C1CC2OC(=O)C3=C2C=CC(=C3)C4CCNCC4"	"GRNPHPDIGUCBTP-UHFFFAOYSA-N"	"InChI=1S/C21H23NO2/c1-14-4-2-3-5-16(14)13-20-18-7-6-17(12-19(18)21(23)24-20)15-8-10-22-11-9-15/h2-7,12,15,20,22H,8-11,13H2,1H3"	""	""	""
"11317"	"CpdA (parent molecule)"	""	"Synthetic organic"	""	""	""	""	"434321752"	"9838148"	""	""	""	""	""	""	""	"[4-[1-chloro-2-(methylamino)ethyl]phenyl] acetate"	""	""	"CNCC(c1ccc(cc1)OC(=O)C)Cl"	"VZCQEZNQVVYTJC-UHFFFAOYSA-N"	"InChI=1S/C11H14ClNO2/c1-8(14)15-10-5-3-9(4-6-10)11(12)7-13-2/h3-6,11,13H,7H2,1-2H3"	"yes"	""	""
"5603"	"CPFPX"	""	"Synthetic organic"	""	""	""	""	"178102237"	"5461879"	""	""	"CHEMBL2311146"	""	""	""	""	"8-cyclopentyl-3-(3-fluoranylpropyl)-1-propyl-7H-purine-2,6-dione"	""	""	"[18F]CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1"	"GGGMDKJPUXTDAW-SJPDSGJFSA-N"	"InChI=1S/C16H23FN4O2/c1-2-9-21-15(22)12-14(20(16(21)23)10-5-8-17)19-13(18-12)11-6-3-4-7-11/h11H,2-10H2,1H3,(H,18,19)/i17-1"	""	""	""
"9115"	"CPI-1205"	""	"Synthetic organic"	""	""	""	""	"315661200"	"78320408"	""	""	""	""	""	""	""	"N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide"	""	"compound 13 [PMID: 27739677]|CPI 1205|CPI1205"	"COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(c2c1cccc2)[C@@H](C1CCN(CC1)CC(F)(F)F)C"	"HPODOLXTMDHLLC-QGZVFWFLSA-N"	"InChI=1S/C27H33F3N4O3/c1-16-13-23(37-4)21(25(35)32-16)14-31-26(36)24-18(3)34(22-8-6-5-7-20(22)24)17(2)19-9-11-33(12-10-19)15-27(28,29)30/h5-8,13,17,19H,9-12,14-15H2,1-4H3,(H,31,36)(H,32,35)/t17-/m1/s1"	""	""	""
"7513"	"CPI-203"	""	"Synthetic organic"	""	""	""	""	"187051815"	"71291068"	""	""	""	""	""	""	""	""	""	"CPI 203|CPI203"	"NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C"	"QECMENZMDBOLDR-AWEZNQCLSA-N"	"InChI=1S/C19H18ClN5OS/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)22-14(8-15(21)26)18-24-23-11(3)25(18)19/h4-7,14H,8H2,1-3H3,(H2,21,26)/t14-/m0/s1"	""	""	""
"14038"	"CPK20"	""	"Synthetic organic"	""	""	""	""	"518520665"	"155538261"	""	""	"CHEMBL4476393"	""	""	""	""	"N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclohexanesulfonamide"	""	""	"FC(F)(F)C1=CC=C(CN2CCC3=C2C=CC(NS(=O)(=O)C4CCCCC4)=C3)C(=C1)C(F)(F)F"	"LXIXLAOMFBGFKV-UHFFFAOYSA-N"	"InChI=1S/C23H24F6N2O2S/c24-22(25,26)17-7-6-16(20(13-17)23(27,28)29)14-31-11-10-15-12-18(8-9-21(15)31)30-34(32,33)19-4-2-1-3-5-19/h6-9,12-13,19,30H,1-5,10-11,14H2"	""	""	""
"11490"	"CPN-116"	""	"Peptide"	""	""	""	""	"440816858"	"0"	""	""	""	""	""	""	""	""	""	"peptide 6b [PMID: 24999562]"	""	""	""	""	""	""
"11491"	"CPN-219"	""	"Peptide"	""	""	""	""	"440816859"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11492"	"CPN-223"	""	"Peptide"	""	""	""	""	"440816860"	"155817526"	""	""	""	""	""	""	""	"(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-3-{[1,1'-biphenyl]-4-yl}-2-[(2S)-4-(naphthalen-2-yl)-2-[4-(pyridin-3-yl)butanamido]butanamido]propanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]butanediamide"	""	"analogue 8 [PMID: 32721452]"	"NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCc1cccnc1)CCc1ccc2c(c1)cccc2)Cc1ccc(cc1)c1ccccc1"	"ZETNXOFZFFDUSA-RRXWZPBSSA-N"	"InChI=1S/C59H75N15O8/c60-50(75)35-47(52(61)77)72-53(78)44(17-8-30-67-58(62)63)70-56(81)49-19-10-32-74(49)57(82)46(18-9-31-68-59(64)65)71-55(80)48(34-38-22-26-42(27-23-38)40-13-2-1-3-14-40)73-54(79)45(69-51(76)20-6-11-39-12-7-29-66-36-39)28-24-37-21-25-41-15-4-5-16-43(41)33-37/h1-5,7,12-16,21-23,25-27,29,33,36,44-49H,6,8-11,17-20,24,28,30-32,34-35H2,(H2,60,75)(H2,61,77)(H,69,76)(H,70,81)(H,71,80)(H,72,78)(H,73,79)(H4,62,63,67)(H4,64,65,68)/t44-,45-,46-,47-,48-,49-/m0/s1"	""	""	""
"10380"	"CPN-267"	""	"Peptide"	""	""	""	""	"387271626"	"132585191"	""	""	""	""	""	""	""	"deamino-2-thien-2-yl-glycyl-L-tryptophyl-alpha-methyl-L-tryptophyl-L-arginyl-L-prolyl-L-arginyl-L-asparaginamide"	""	"analogue 7b [PMID: 28548497]|C-terminal core peptide derivative of neuromedin U, bearing (&alpha;-Me)Trp<sup>2</sup>|NMUR1 agonist C7b"	"NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Cc1cccs1)C"	"HIFICJJBGBSZMZ-YWIJTBFMSA-N"	"InChI=1S/C50H66N16O8S/c1-50(25-29-27-60-34-14-5-3-12-32(29)34,65-44(71)38(61-41(68)23-30-10-9-21-75-30)22-28-26-59-33-13-4-2-11-31(28)33)47(74)64-36(16-7-19-58-49(55)56)46(73)66-20-8-17-39(66)45(72)62-35(15-6-18-57-48(53)54)43(70)63-37(42(52)69)24-40(51)67/h2-5,9-14,21,26-27,35-39,59-60H,6-8,15-20,22-25H2,1H3,(H2,51,67)(H2,52,69)(H,61,68)(H,62,72)(H,63,70)(H,64,74)(H,65,71)(H4,53,54,57)(H4,55,56,58)/t35-,36-,37-,38-,39-,50-/m0/s1"	""	""	""
"8284"	"CPP-115"	""	"Synthetic organic"	""	""	""	""	"252166496"	"9794014"	""	""	"CHEMBL146927"	""	""	""	""	"(1S,3S)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid"	""	"compound 12 [PMID 25616005]"	"OC(=O)[C@H]1CC(=C(F)F)[C@H](C1)N"	"CBSRETZPFOBWNG-UCORVYFPSA-N"	"InChI=1S/C7H9F2NO2/c8-6(9)4-1-3(7(11)12)2-5(4)10/h3,5H,1-2,10H2,(H,11,12)/t3-,5-/m0/s1"	""	""	""
"1413"	"CPPG"	""	"Synthetic organic"	""	""	""	""	"135650134"	"2878"	""	""	"CHEMBL164642"	""	""	""	""	"2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid"	""	"cyclopropyl-4-phosphonophenylglycine"	"OC(=O)C(c1ccc(cc1)P(=O)(O)O)(C1CC1)N"	"IGODGTDUQSMDQU-UHFFFAOYSA-N"	"InChI=1S/C11H14NO5P/c12-11(10(13)14,7-1-2-7)8-3-5-9(6-4-8)18(15,16)17/h3-7H,1-2,12H2,(H,13,14)(H2,15,16,17)"	""	""	""
"1423"	"CPPHA"	""	"Synthetic organic"	""	""	""	""	"135650135"	"9931205"	""	""	"CHEMBL366217"	""	""	""	""	"N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-hydroxybenzamide"	""	""	"Clc1ccc(c(c1)CN1C(=O)c2c(C1=O)cccc2)NC(=O)c1ccccc1O"	"UFOUABRZSDGGAZ-UHFFFAOYSA-N"	"InChI=1S/C22H15ClN2O4/c23-14-9-10-18(24-20(27)17-7-3-4-8-19(17)26)13(11-14)12-25-21(28)15-5-1-2-6-16(15)22(25)29/h1-11,26H,12H2,(H,24,27)"	""	""	""
"6416"	"CPPZ"	""	"Synthetic organic"	""	""	""	""	"178103032"	"24763119"	""	""	"CHEMBL1289113"	""	""	""	""	"1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone"	""	""	"Fc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)COCc1ccncc1"	"XNOMHUDLVRWWLV-UHFFFAOYSA-N"	"InChI=1S/C18H19ClFN3O2/c19-16-11-15(20)1-2-17(16)22-7-9-23(10-8-22)18(24)13-25-12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2"	""	""	""
"6369"	"CPS125"	""	"Synthetic organic"	""	""	""	""	"178102987"	"56929387"	""	""	""	""	""	""	""	"(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide"	""	""	"C[C@@H]1CC[C@H]([C@@H](C1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)C(C)C"	"IIVDSKOVPRNBND-AYOQOUSVSA-N"	"InChI=1S/C21H28N4O3S/c1-14(2)18-10-5-15(3)13-19(18)20(26)24-16-6-8-17(9-7-16)29(27,28)25-21-22-11-4-12-23-21/h4,6-9,11-12,14-15,18-19H,5,10,13H2,1-3H3,(H,24,26)(H,22,23,25)/t15-,18+,19-/m1/s1"	""	""	""
"11603"	"CPS4"	""	"Peptide"	""	""	""	""	"442878637"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"12861"	"CPTB"	""	"Synthetic organic"	""	""	""	""	"485205982"	"46226294"	""	""	"CHEMBL607315"	""	""	""	""	"(2S)-2-(4-chlorophenyl)-3,3-dimethyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide"	""	"compound 58 [PMID: 20005104]"	"CC(C)(C)[C@@H](C1=CC=C(C=C1)Cl)C(=O)NC2=NC=C(S2)C3=CC=CC=C3"	"ZVAPEFXSRDIMFP-SFHVURJKSA-N"	"InChI=1S/C21H21ClN2OS/c1-21(2,3)18(15-9-11-16(22)12-10-15)19(25)24-20-23-13-17(26-20)14-7-5-4-6-8-14/h4-13,18H,1-3H3,(H,23,24,25)/t18-/m0/s1"	""	""	""
"10621"	"cPTIO"	""	"Synthetic organic"	""	""	""	""	"404859068"	"2733503"	""	""	""	""	""	""	""	"2-4-carboxyphenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide"	""	"carboxy-PTIO"	"OC(=O)c1ccc(cc1)C1=[N+]([O-])C(C(N1[O])(C)C)(C)C"	"KWNDLWPKCDMGTN-UHFFFAOYSA-N"	"InChI=1S/C14H17N2O4/c1-13(2)14(3,4)16(20)11(15(13)19)9-5-7-10(8-6-9)12(17)18/h5-8H,1-4H3,(H,17,18)"	""	""	""
"9710"	"CPUY192018"	""	"Synthetic organic"	""	""	""	""	"348353669"	"73330369"	""	""	""	""	""	""	""	"2-[[4-[carboxymethyl-(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]-(4-methoxyphenyl)sulfonylamino]acetic acid"	""	"compound 18e [PMID: 26258437]|compound 2 [PMID: 24512214]"	"COc1ccc(cc1)S(=O)(=O)N(c1ccc(c2c1cccc2)N(S(=O)(=O)c1ccc(cc1)OC)CC(=O)O)CC(=O)O"	"KWSIQJUNYMMCTB-UHFFFAOYSA-N"	"InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)"	"yes"	""	""
"11313"	"CpX"	""	"Synthetic organic"	""	""	""	""	"434321748"	"154733034"	""	""	""	""	""	""	""	"(2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethan-1-ol"	""	""	"CCN([C@H](c1cccc2c1oc(c2C)C)CO)CC"	"GJLKKMYIDLNMFF-HNNXBMFYSA-N"	"InChI=1S/C16H23NO2/c1-5-17(6-2)15(10-18)14-9-7-8-13-11(3)12(4)19-16(13)14/h7-9,15,18H,5-6,10H2,1-4H3/t15-/m0/s1"	""	""	""
"427"	"CPX"	""	"Synthetic organic"	""	""	""	""	"135650137"	"169317"	""	""	"CHEMBL157655"	""	""	""	""	"1,3-dipropyl-7H-purine-2,6-dione"	""	"1,3-dipropylxanthine"	"CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2"	"MJVIGUCNSRXAFO-UHFFFAOYSA-N"	"InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)"	""	""	""
"11314"	"CpY"	""	"Synthetic organic"	""	""	""	""	"434321749"	"154733035"	""	""	""	""	""	""	""	"(2R)-2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethan-1-ol"	""	""	"CCN([C@H](c1cccc2c1oc(c2C)CC)CO)CC"	"FXNNNICQCLNEPG-HNNXBMFYSA-N"	"InChI=1S/C17H25NO2/c1-5-16-12(4)13-9-8-10-14(17(13)20-16)15(11-19)18(6-2)7-3/h8-10,15,19H,5-7,11H2,1-4H3/t15-/m0/s1"	""	""	""
"13508"	"CPZEN-45"	""	"Synthetic organic"	""	""	""	""	"500839918"	"67419859"	""	""	"CHEMBL4469883"	""	""	""	""	"(2S)-2-[(S)-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-(4-butylphenyl)-1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide"	""	""	"CCCCC1=CC=C(C=C1)NC(=O)C2=CCN([C@H](C(=O)N2C)[C@@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O[C@H]5[C@@H]([C@@H]([C@H](O5)CN)O)O)C"	"RQVDLVWYEOCAJE-KDHSHZOVSA-N"	"InChI=1S/C32H44N6O11/c1-4-5-6-16-7-9-17(10-8-16)34-28(44)18-11-13-36(2)21(29(45)37(18)3)26(49-31-25(43)22(40)19(15-33)47-31)27-23(41)24(42)30(48-27)38-14-12-20(39)35-32(38)46/h7-12,14,19,21-27,30-31,40-43H,4-6,13,15,33H2,1-3H3,(H,34,44)(H,35,39,46)/t19-,21+,22-,23+,24-,25-,26+,27+,30-,31+/m1/s1"	""	""	"yes"
"11076"	"CR3022"	""	"Antibody"	""	""	""	""	"434122137"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10453"	"CR4056"	""	"Synthetic organic"	""	""	""	""	"385612213"	"24898732"	""	""	"CHEMBL2179398"	""	""	""	""	"6-imidazol-1-yl-2-phenylquinazoline"	""	"CR-4056|US8633208, 1"	"c1ccc(cc1)c1ncc2c(n1)ccc(c2)n1cncc1"	"CSZGXYBGYFNSCO-UHFFFAOYSA-N"	"InChI=1S/C17H12N4/c1-2-4-13(5-3-1)17-19-11-14-10-15(6-7-16(14)20-17)21-9-8-18-12-21/h1-12H"	""	""	""
"9845"	"CR6086"	""	"Synthetic organic"	""	""	""	""	"363894139"	"133081958"	""	""	""	""	""	""	""	"4-{1-[(5R)-6-{[4-(trifluoromethyl)phenyl]methyl}-6-azaspiro[2.5]octane-5-amido]cyclopropyl}benzoic acid"	""	""	"O=C([C@H]1CC2(CCN1Cc1ccc(cc1)C(F)(F)F)CC2)NC1(CC1)c1ccc(cc1)C(=O)O"	"CADWTPLFEZSAHM-OAQYLSRUSA-N"	"InChI=1S/C26H27F3N2O3/c27-26(28,29)20-5-1-17(2-6-20)16-31-14-13-24(9-10-24)15-21(31)22(32)30-25(11-12-25)19-7-3-18(4-8-19)23(33)34/h1-8,21H,9-16H2,(H,30,32)(H,33,34)/t21-/m1/s1"	"yes"	""	""
"3498"	"CRA1000"	""	"Synthetic organic"	""	""	""	""	"53801053"	"9849313"	""	""	"CHEMBL297986"	""	""	""	""	"N-ethyl-4-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine"	""	"CRA-1000"	"CCN(c1ccc(cc1SC)C(C)C)c1nc(cc(n1)C)N1CCC(=CC1)c1cccc(c1)F"	"DDSMCPASYQDKFS-UHFFFAOYSA-N"	"InChI=1S/C28H33FN4S/c1-6-33(25-11-10-22(19(2)3)18-26(25)34-5)28-30-20(4)16-27(31-28)32-14-12-21(13-15-32)23-8-7-9-24(29)17-23/h7-12,16-19H,6,13-15H2,1-5H3"	""	""	""
"10041"	"CRAC channel inhibitor 1 [PMID: 26256403]"	""	"Synthetic organic"	""	""	""	""	"375973229"	"3509452"	""	""	"CHEMBL3923438"	""	""	""	""	"3-(4-chlorophenyl)-1-[1-(4-methylphenyl)propyl]urea"	""	""	"CCC(c1ccc(cc1)C)NC(=O)Nc1ccc(cc1)Cl"	"FKBYZUDELOWDJW-UHFFFAOYSA-N"	"InChI=1S/C17H19ClN2O/c1-3-16(13-6-4-12(2)5-7-13)20-17(21)19-15-10-8-14(18)9-11-15/h4-11,16H,3H2,1-2H3,(H2,19,20,21)"	"yes"	""	""
"10042"	"CRAC channel inhibitor 5b [PMID: 26256403]"	""	"Synthetic organic"	""	""	""	""	"375973230"	"134813903"	""	""	""	""	""	""	""	"1-(4-chlorophenyl)-1,3-dimethyl-3-[1-(4-methylphenyl)propyl]urea"	""	""	"CCC(N(C(=O)N(c1ccc(cc1)Cl)C)C)c1ccc(cc1)C"	"YPDVKFTYHRFBSZ-UHFFFAOYSA-N"	"InChI=1S/C19H23ClN2O/c1-5-18(15-8-6-14(2)7-9-15)22(4)19(23)21(3)17-12-10-16(20)11-13-17/h6-13,18H,5H2,1-4H3"	"yes"	""	""
"6266"	"CRAMP"	"Mouse"	"Peptide"	""	""	""	""	"178102886"	"155817495"	"P51437"	"ENSMUSG00000038357"	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC"	"QBSFTGGUOCPHDM-GDCSACRRSA-N"	"InChI=1S/C197H338N56O50/c1-22-112(17)158(210)189(296)247-143(105-254)186(293)235-128(65-49-89-216-197(213)214)170(277)240-136(93-107(7)8)178(285)222-116(21)163(270)218-102-154(263)226-135(92-106(5)6)179(286)243-138(95-109(11)12)181(288)234-127(64-48-88-215-196(211)212)166(273)227-119(56-32-40-80-198)164(271)219-100-150(259)217-101-151(260)224-130(71-77-155(264)265)173(280)232-125(62-38-46-86-204)176(283)250-161(114(19)24-3)191(298)221-104-153(262)225-131(72-78-156(266)267)172(279)228-121(58-34-42-82-200)167(274)241-137(94-108(9)10)180(287)233-120(57-33-41-81-199)165(272)230-124(61-37-45-85-203)175(282)249-160(113(18)23-2)190(297)220-103-152(261)223-129(68-74-146(206)255)171(278)231-126(63-39-47-87-205)177(284)251-162(115(20)25-4)192(299)237-123(60-36-44-84-202)169(276)246-142(99-149(209)258)184(291)245-141(98-118-54-30-27-31-55-118)183(290)244-140(97-117-52-28-26-29-53-117)182(289)236-132(69-75-147(207)256)174(281)229-122(59-35-43-83-201)168(275)242-139(96-110(13)14)185(292)248-159(111(15)16)194(301)253-91-51-67-145(253)187(294)238-133(70-76-148(208)257)193(300)252-90-50-66-144(252)188(295)239-134(195(302)303)73-79-157(268)269/h26-31,52-55,106-116,119-145,158-162,254H,22-25,32-51,56-105,198-205,210H2,1-21H3,(H2,206,255)(H2,207,256)(H2,208,257)(H2,209,258)(H,217,259)(H,218,270)(H,219,271)(H,220,297)(H,221,298)(H,222,285)(H,223,261)(H,224,260)(H,225,262)(H,226,263)(H,227,273)(H,228,279)(H,229,281)(H,230,272)(H,231,278)(H,232,280)(H,233,287)(H,234,288)(H,235,293)(H,236,289)(H,237,299)(H,238,294)(H,239,295)(H,240,277)(H,241,274)(H,242,275)(H,243,286)(H,244,290)(H,245,291)(H,246,276)(H,247,296)(H,248,292)(H,249,282)(H,250,283)(H,251,284)(H,264,265)(H,266,267)(H,268,269)(H,302,303)(H4,211,212,215)(H4,213,214,216)/t112-,113-,114-,115-,116-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,158-,159-,160-,161-,162-/m0/s1"	"yes"	""	""
"6150"	"CRCF1/CLCF1 heterodimer"	"Human"	"Peptide"	""	""	""	""	"178102771"	"0"	"O75462|Q9UBD9"	"ENSG00000006016|ENSG00000175505"	""	"4904|4895"	"cytokine receptor-like factor 1|cardiotrophin-like cytokine factor 1"	"O75462|Q9UBD9"	"ENSG00000006016|ENSG00000175505"	""	""	""	""	""	""	""	""	""
"4496"	"creatine"	""	"Metabolite"	""	""	""	""	"178101224"	"586"	""	""	"CHEMBL283800"	""	""	""	""	"2-(1-methylcarbamimidamido)acetic acid"	""	""	"OC(=O)CN(C(=N)N)C"	"CVSVTCORWBXHQV-UHFFFAOYSA-N"	"InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)"	""	""	""
"6934"	"crenezumab"	""	"Antibody"	""	""	""	""	"178103516"	"0"	""	""	""	""	""	""	""	""	"crenezumab"	"MABT-5102A|Mabt5102A"	""	""	""	""	""	""
"11359"	"crenigacestat"	""	"Synthetic organic"	""	""	""	""	"440816728"	"71236992"	""	""	"CHEMBL2338397"	""	""	""	""	"4,4,4-trifluoro-N-[(2S)-1-[[(7S)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]amino]-1-oxopropan-2-yl]butanamide"	"crenigacestat"	"LY-3039478|LY3039478"	"OCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(F)(F)F)C)c2c(c3c1nccc3)cccc2"	"YCBAQKQAINQRFW-UGSOOPFHSA-N"	"InChI=1S/C22H23F3N4O4/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32)/t13-,18-/m0/s1"	""	""	""
"7882"	"crenolanib"	""	"Synthetic organic"	""	""	""	""	"223366211"	"10366136"	""	""	"CHEMBL2105728"	""	""	""	""	"1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine"	"crenolanib"	"ARO-002|CP 868596|CP-868,596|CP-868596"	"NC1CCN(CC1)c1cccc2c1nc(cc2)n1cnc2c1ccc(c2)OCC1(C)COC1"	"DYNHJHQFHQTFTP-UHFFFAOYSA-N"	"InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3"	"yes"	""	""
"13428"	"cresomycin"	""	"Synthetic organic"	""	""	""	""	"496703398"	"169247206"	""	""	""	""	""	""	""	"(4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]-3,4,5,5a,6,7,8,8a-octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide"	""	""	"C[C@@H]1/C=C\CCS[C@@H]2[C@@H]([C@H]([C@H]([C@@H]([C@@H]1NC(=O)[C@@H]3[C@H]4[C@@H](C[C@@H](CCO4)CC(C)C)CN3)O2)O)O)O"	"GMONVEGLHZWYNO-JBYNEVPESA-N"	"InChI=1S/C25H42N2O6S/c1-13(2)10-15-7-8-32-22-16(11-15)12-26-18(22)24(31)27-17-14(3)6-4-5-9-34-25-21(30)19(28)20(29)23(17)33-25/h4,6,13-23,25-26,28-30H,5,7-12H2,1-3H3,(H,27,31)/b6-4-/t14-,15+,16+,17-,18+,19+,20-,21-,22-,23-,25-/m1/s1"	""	""	"yes"
"3533"	"crinecerfont"	""	"Synthetic organic"	"yes"	""	""	""	"178100512"	"5282340"	""	""	"CHEMBL291657"	""	""	""	""	"4-(2-chloro-4-methoxy-5-methylphenyl)-N-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine"	"crinecerfont"	"Crenessity&reg;|SSR-125543A|SSR125543"	"C#CCN([C@H](c1ccc(c(c1)F)C)CC1CC1)c1sc(c(n1)c1cc(C)c(cc1Cl)OC)C"	"IEAKXXNRGSLYTQ-DEOSSOPVSA-N"	"InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1"	""	""	""
"9151"	"crisaborole"	""	"Synthetic organic"	"yes"	""	""	""	"315661236"	"44591583"	""	""	"CHEMBL484785"	""	""	""	""	"4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile"	"crisaborole"	"AN 2728|AN2728|compound 5b [PMID: 19303290]|Eucrisa&reg;|Staquis&reg;"	"N#Cc1ccc(cc1)Oc1ccc2c(c1)COB2O"	"USZAGAREISWJDP-UHFFFAOYSA-N"	"InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2"	"yes"	""	""
"7347"	"crisantaspase"	""	"Peptide"	"yes"	""	""	""	"178103919"	"0"	""	""	""	""	""	""	""	""	"crisantaspase"	"asparaginase|Elspar&reg;|Enrylaze&reg;|L-asparaginase|L-asparagine amidohydrolase"	""	""	""	""	""	""
"13254"	"crisdesalazine"	""	"Synthetic organic"	""	""	""	""	"491300036"	"16042343"	""	""	""	""	""	""	""	"2-hydroxy-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]benzoic acid"	"crisdesalazine"	"AAD-2004|AAD2004"	"O=C(O)C1=CC(NCCC2=CC=C(C(F)(F)F)C=C2)=CC=C1O"	"UTMVACIBQLDZLP-UHFFFAOYSA-N"	"InChI=1S/C16H14F3NO3/c17-16(18,19)11-3-1-10(2-4-11)7-8-20-12-5-6-14(21)13(9-12)15(22)23/h1-6,9,20-21H,7-8H2,(H,22,23)"	""	""	""
"13764"	"crisugabalin"	""	"Synthetic organic"	"yes"	""	""	""	"507750397"	"139300919"	""	""	"CHEMBL5314958"	""	""	""	""	""	"crisugabalin"	"HSK-16149|HSK16149"	"C1C[C@@H]2[C@@H]3C[C@H]1C[C@@H]3[C@@]2(CC(=O)O)CN"	"WCEFMBSFXJUREW-LIJGXYGRSA-N"	"InChI=1S/C12H19NO2/c13-6-12(5-11(14)15)9-2-1-7-3-8(9)10(12)4-7/h7-10H,1-6,13H2,(H,14,15)/t7-,8-,9+,10-,12-/m0/s1"	""	""	""
"10550"	"crizanlizumab"	""	"Antibody"	"yes"	""	""	""	"404858999"	"0"	""	""	""	""	""	""	""	""	"crizanlizumab"	"Adakveo&reg;|crizanlizumab-tmca|hSel001|SEG101"	""	""	""	""	""	""
"4903"	"crizotinib"	""	"Synthetic organic"	"yes"	""	""	""	"178101602"	"11626560"	""	""	"CHEMBL601719"	""	""	""	""	"3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine"	"crizotinib"	"(<i>R</i>)-crizotinib|PF 2341066|PF-02341066|PF-2341066|PF2341066|Xalkori&reg;"	"Nc1ncc(cc1O[C@@H](c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CCNCC1"	"KTEIFNKAUNYNJU-GFCCVEGCSA-N"	"InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1"	"yes"	""	""
"13339"	"CRN04894"	""	"Synthetic organic"	""	""	""	""	"496703309"	"146361282"	""	""	""	""	""	""	""	"N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(2-ethoxyphenyl)-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-1-yl]pyridine-2-carboxamide"	""	"compound 17h [PMID: 38628803]|CRN-0489"	"CCOC1=C(C=CC=C1)C2=CC=C(N3CCN(C[C@H]3CC)C(=O)C4(CCC4)C(F)(F)F)C(=N2)C(=O)N[C@@H]5CN6CCC5CC6"	"QJRFBKYETDVAJQ-ZEQKJWHPSA-N"	"InChI=1S/C33H42F3N5O3/c1-3-23-20-40(31(43)32(14-7-15-32)33(34,35)36)18-19-41(23)27-11-10-25(24-8-5-6-9-28(24)44-4-2)37-29(27)30(42)38-26-21-39-16-12-22(26)13-17-39/h5-6,8-11,22-23,26H,3-4,7,12-21H2,1-2H3,(H,38,42)/t23-,26-/m1/s1"	""	""	""
"7453"	"crofelemer"	""	"Natural product"	"yes"	""	""	""	"187051756"	"0"	""	""	"CHEMBL2108184"	""	""	""	""	""	""	"Fulyzaq&reg;|SP-303"	""	""	""	""	""	""
"2413"	"cromakalim"	""	"Synthetic organic"	""	""	""	""	"135650138"	"443423"	""	""	"CHEMBL49035"	""	""	""	""	"3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chroman-6-carbonitrile"	"cromakalim"	"cromakalin"	"N#Cc1ccc2c(c1)C(N1CCCC1=O)C(C(O2)(C)C)O"	"TVZCRIROJQEVOT-UHFFFAOYSA-N"	"InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3"	""	""	""
"7608"	"cromoglicic acid"	""	"Synthetic organic"	"yes"	""	""	""	"223365943"	"2882"	""	""	"CHEMBL428880"	""	""	""	""	"5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid"	"cromoglicic acid"	"cromoglycate|cromolyn|cromolyn sodium|FPL-670|Intal&reg;|Opticrom&reg;|sodium cromoglicate"	"OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O"	"IMZMKUWMOSJXDT-UHFFFAOYSA-N"	"InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)"	"yes"	""	""
"11165"	"Crotamiton"	""	"Synthetic organic"	"yes"	""	""	""	"434122225"	"688020"	""	""	""	""	""	""	""	"(E)-N-ethyl-N-(2-methylphenyl)but-2-enamide"	"crotamiton"	"Eurax&reg;"	"C/C=C/C(=O)N(c1ccccc1C)CC"	"DNTGGZPQPQTDQF-XBXARRHUSA-N"	"InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+"	""	""	""
"9614"	"crotedumab"	""	"Antibody"	""	""	""	""	"340590244"	"0"	""	""	""	""	""	""	""	""	"crotedumab"	"REGN-1193|REGN1193"	""	""	""	""	""	""
"6288"	"crotylaldehyde"	""	"Synthetic organic"	""	""	""	""	"178102908"	"447466"	""	""	"CHEMBL1086445"	""	""	""	""	"(E)-but-2-enal"	""	"2-butenal|crotonal|trans-crotonaldehyde"	"C/C=C/C=O"	"MLUCVPSAIODCQM-NSCUHMNNSA-N"	"InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+"	""	""	""
"12790"	"crovalimab"	""	"Antibody"	"yes"	""	""	""	"483123338"	"0"	""	""	""	""	""	""	""	""	"crovalimab"	"crovalimab-akkz|Piasky&reg;|RG-6107|RG6107|Senkai&reg; (China)|SKY59"	""	""	""	"yes"	""	""
"12076"	"crozbaciclib"	""	"Synthetic organic"	""	""	""	""	"472319198"	"129202507"	""	""	"CHEMBL4277900"	""	""	""	""	"5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-[5-(1-methylpiperidin-4-yl)pyridin-2-yl]pyrimidin-2-amine"	"crozbaciclib"	""	"Fc1c(nc(nc1)Nc1ncc(cc1)C1CCN(CC1)C)c1cc2C3(C(=Nc2c(c1)F)C)CCCC3"	"AEFFENQISAXIKE-UHFFFAOYSA-N"	"InChI=1S/C28H30F2N6/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35)"	""	""	""
"14410"	"CRS0393"	""	"Synthetic organic"	""	""	""	""	"523352202"	"138319692"	""	""	"CHEMBL4288757"	""	""	""	""	"N-(5,7-dichloro-1,3-benzothiazol-2-yl)-5-methylbicyclo[3.3.1]nonane-1-carboxamide"	""	"CRS400393"	"CC12CCCC(C1)(CCC2)C(=O)NC3=NC4=C(S3)C(=CC(=C4)Cl)Cl"	"KHJLLQYNCQNVKV-UHFFFAOYSA-N"	"InChI=1S/C18H20Cl2N2OS/c1-17-4-2-6-18(10-17,7-3-5-17)15(23)22-16-21-13-9-11(19)8-12(20)14(13)24-16/h8-9H,2-7,10H2,1H3,(H,21,22,23)"	""	""	"yes"
"10991"	"CRS3123"	""	"Synthetic organic"	""	""	""	""	"405560432"	"16744283"	""	""	"CHEMBL4297370"	""	""	""	""	"5-[3-[[(4R)-6,8-dibromo-3,4-dihydro-2H-chromen-4-yl]amino]propylamino]-4H-thieno[3,2-b]pyridin-7-one"	""	"CRS-3123|REP-3123|REP3123"	"Brc1cc(Br)c2c(c1)[C@H](NCCCNc1cc(=O)c3c([nH]1)ccs3)CCO2"	"NNTYBKTXMKBRFA-CQSZACIVSA-N"	"InChI=1S/C19H19Br2N3O2S/c20-11-8-12-14(2-6-26-18(12)13(21)9-11)22-4-1-5-23-17-10-16(25)19-15(24-17)3-7-27-19/h3,7-10,14,22H,1-2,4-6H2,(H2,23,24,25)/t14-/m1/s1"	""	""	"yes"
"8048"	"CRT 0066101"	""	"Synthetic organic"	""	""	""	""	"249565728"	"136189563"	""	""	""	""	""	""	""	"2-[4-[[(2R)-2-Aminobutyl]amino]pyrimidin-2-yl]-4-(1-methyl-1H-pyrazol-4-yl)phenol dihydrochloride"	""	""	"CC[C@H](CNc1ccnc(n1)c1cc(ccc1O)c1cnn(c1)C)N"	"SCJXQZZYGYLKJG-CQSZACIVSA-N"	"InChI=1S/C18H22N6O/c1-3-14(19)10-21-17-6-7-20-18(23-17)15-8-12(4-5-16(15)25)13-9-22-24(2)11-13/h4-9,11,14,25H,3,10,19H2,1-2H3,(H,20,21,23)/t14-/m1/s1"	""	""	""
"11612"	"CRV431"	""	"Synthetic organic"	""	""	""	""	"442878646"	"134812041"	""	""	"CHEMBL4297487"	""	""	""	""	"N-[(7R,8R)-8-[(2S,5S,8R,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-8-hydroxy-7-methyloctyl]acetamide"	""	"CPI-431|CPI-431-32|CPI431|CRV-431"	"CC[C@@H]1NC(=O)[C@H]([C@@H]([C@@H](CCCCCCNC(=O)C)C)O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](N(C1=O)C)C)C)CC(C)C)C(C)C)C)CC(C)C)C"	"KBARHGHBFILILC-NGIJKBHDSA-N"	"InChI=1S/C67H122N12O13/c1-26-48-63(88)73(19)46(17)62(87)74(20)50(34-38(4)5)59(84)72-53(41(10)11)66(91)75(21)49(33-37(2)3)58(83)69-44(15)57(82)70-45(16)61(86)76(22)51(35-39(6)7)64(89)77(23)52(36-40(8)9)65(90)78(24)54(42(12)13)67(92)79(25)55(60(85)71-48)56(81)43(14)31-29-27-28-30-32-68-47(18)80/h37-46,48-56,81H,26-36H2,1-25H3,(H,68,80)(H,69,83)(H,70,82)(H,71,85)(H,72,84)/t43-,44+,45-,46-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1"	""	""	""
"10091"	"CRX-555"	""	"Synthetic organic"	""	""	""	""	"381118801"	"87596969"	""	""	""	""	""	""	""	"(2S)-3-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-[[(3R)-3-octanoyloxytetradecanoyl]amino]-4-[(3R)-3-octanoyloxytetradecanoyl]oxy-5-phosphonooxyoxan-2-yl]oxy-2-[[(3R)-3-octanoyloxytetradecanoyl]amino]propanoic acid"	""	"CRX555|N-[(3R)-3-(Octanoyloxy)myristoyl]-O-[2-[[(3R)-3-(octanoyloxy)myristoyl]amino]-3-O-[(3R)-3-(octanoyloxy)myristoyl]-4-O-phosphono-2-deoxy-beta-D-glucopyranosyl]-L-serine"	"CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@@H](C(=O)O)NC(=O)C[C@H](OC(=O)CCCCCCC)CCCCCCCCCCC)O[C@@H]([C@H]([C@@H]1OC(=O)C[C@H](OC(=O)CCCCCCC)CCCCCCCCCCC)OP(=O)(O)O)CO)OC(=O)CCCCCCC"	"WNFNQTGQGFHQLU-NRBIUWCVSA-N"	"InChI=1S/C75H139N2O19P/c1-7-13-19-25-28-31-34-40-43-49-60(91-67(81)52-46-37-22-16-10-4)55-65(79)76-63(74(85)86)59-90-75-71(77-66(80)56-61(92-68(82)53-47-38-23-17-11-5)50-44-41-35-32-29-26-20-14-8-2)73(72(64(58-78)94-75)96-97(87,88)89)95-70(84)57-62(93-69(83)54-48-39-24-18-12-6)51-45-42-36-33-30-27-21-15-9-3/h60-64,71-73,75,78H,7-59H2,1-6H3,(H,76,79)(H,77,80)(H,85,86)(H2,87,88,89)/t60-,61-,62-,63+,64-,71-,72-,73-,75-/m1/s1"	"yes"	""	""
"5609"	"CSC"	""	"Synthetic organic"	""	""	""	""	"178102243"	"5353365"	""	""	"CHEMBL26138"	""	""	""	""	"8-[2-(3-chlorophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione"	""	""	"Clc1cccc(c1)/C=C/c1nc2c(n1C)c(=O)n(c(=O)n2C)C"	"WBWFIUAVMCNYPG-BQYQJAHWSA-N"	"InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+"	""	""	""
"2356"	"Cs<sup>+</sup>"	""	"Inorganic"	""	""	""	""	"135652734"	"104967"	""	""	""	""	""	""	""	""	""	"cesium cation|cesium ion"	""	""	""	""	""	""
"2008"	"CST-17"	"Human"	"Peptide"	""	""	""	""	"135651698"	"0"	"O00230"	"ENSG00000241563"	""	""	""	""	""	""	""	"cortistatin-17"	""	""	""	""	""	""
"10699"	"CSTI-300"	""	"Synthetic organic"	""	""	""	""	"404859146"	"57989460"	""	""	""	""	""	""	""	""	""	""	"O=C1N(CCc2c3c1cccc3n[nH]2)[C@@H]1CN2CCC1CC2"	"WHLXDRXTKZLGFK-OAHLLOKOSA-N"	"InChI=1S/C17H20N4O/c22-17-12-2-1-3-13-16(12)14(19-18-13)6-9-21(17)15-10-20-7-4-11(15)5-8-20/h1-3,11,15H,4-10H2,(H,18,19)/t15-/m1/s1"	""	""	""
"7634"	"C<sub>7</sub>/3-phth"	""	"Synthetic organic"	""	""	""	""	"223365969"	"168057"	""	""	"CHEMBL28407"	""	""	""	""	"3-(1,3-dioxoisoindol-2-yl)propyl-[7-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]heptyl]-dimethylazanium"	""	"heptane-1,7-bis(dimethyl-3'-phthalimidopropylammonium)"	"O=C1N(CCC[N+](CCCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2"	"OSALRKZRWVYPFR-UHFFFAOYSA-N"	"InChI=1S/C33H46N4O4/c1-36(2,24-14-20-34-30(38)26-16-8-9-17-27(26)31(34)39)22-12-6-5-7-13-23-37(3,4)25-15-21-35-32(40)28-18-10-11-19-29(28)33(35)41/h8-11,16-19H,5-7,12-15,20-25H2,1-4H3/q+2"	""	""	""
"14188"	"CT1113"	""	"Synthetic organic"	""	""	""	""	"518520815"	"155277574"	""	""	""	""	""	""	""	"N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide"	""	"compound I-85 [WO2020224652]|CT-1113|PBSS1113"	"CC1=NC2=C(C=C1)C(=C(S2)C(=O)N[C@@H]3CC4=C(C=C(C=C4)N5CC6CCC(C5)N6)OC3)NC"	"WTGNDKCABSWCMB-DAWZGUTISA-N"	"InChI=1S/C25H29N5O2S/c1-14-3-8-20-22(26-2)23(33-25(20)27-14)24(31)29-18-9-15-4-7-19(10-21(15)32-13-18)30-11-16-5-6-17(12-30)28-16/h3-4,7-8,10,16-18,26,28H,5-6,9,11-13H2,1-2H3,(H,29,31)/t16?,17?,18-/m1/s1"	""	""	""
"14252"	"CT-179"	""	"Synthetic organic"	""	""	""	""	"521588892"	"122520266"	""	""	""	""	""	""	""	"1-(3,4-dichlorophenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea"	""	"compound 8 [WO2016138479]|CT179"	"CN(C)CCCNC1=CC(C)=NC(NC(NC2=CC(Cl)=C(Cl)C=C2)=O)=N1"	"MWEZWAONAIZIAQ-UHFFFAOYSA-N"	"InChI=1S/C17H22Cl2N6O/c1-11-9-15(20-7-4-8-25(2)3)23-16(21-11)24-17(26)22-12-5-6-13(18)14(19)10-12/h5-6,9-10H,4,7-8H2,1-3H3,(H3,20,21,22,23,24,26)"	""	""	""
"13335"	"CT1812"	""	"Synthetic organic"	""	""	""	""	"496703305"	"118278088"	""	""	"CHEMBL4846092"	""	""	""	""	"4-[3-methyl-3-(5-methylsulfonyl-1,3-dihydroisoindol-2-yl)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol"	""	"compiund 7 [PMID: 34531947]|CT-1812|Elayta"	"CC(C)(C)OC1=C(C=CC(=C1)CCC(C)(C)N2CC3=C(C2)C=C(C=C3)S(=O)(=O)C)O"	"ISQAPFMBJFZOLG-UHFFFAOYSA-N"	"InChI=1S/C24H33NO4S/c1-23(2,3)29-22-13-17(7-10-21(22)26)11-12-24(4,5)25-15-18-8-9-20(30(6,27)28)14-19(18)16-25/h7-10,13-14,26H,11-12,15-16H2,1-6H3"	""	""	""
"8819"	"CTA091"	""	"Synthetic organic"	""	""	""	""	"252827476"	"9982767"	""	""	"CHEMBL1627233"	""	""	""	""	"(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol"	""	"compound 3a [PMID: 15615534]|MK-24(S)-S(O)(NH)Ph"	"O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCS(=O)(=N)c2ccccc2)C)C)/C1"	"FANCTJAFZSYTIS-IQUVVAJASA-N"	"InChI=1S/C29H41NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-12,20,24,26-28,30-32H,2,7-8,13-19H2,1,3H3/b22-11+,23-12-/t20-,24-,26-,27+,28+,29-,34?/m1/s1"	""	""	""
"1635"	"CTAP"	""	"Peptide"	""	""	""	""	"135652066"	"44309215"	""	""	""	""	""	""	""	""	""	""	"NC(=NCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC([C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)C(=O)N[C@H](C(=O)N)[C@H](O)C)(C)C)NC(=O)[C@H](Cc1ccccc1)N)Cc1c[nH]c2c1cccc2)N"	"OFMQLVRLOGHAJI-RWMSPKCPSA-N"	"InChI=1S/C51H69N13O11S2/c1-26(65)39(42(53)68)62-49(75)41-51(3,4)77-76-25-38(61-43(69)33(52)21-28-11-6-5-7-12-28)47(73)59-36(22-29-16-18-31(67)19-17-29)45(71)60-37(23-30-24-57-34-14-9-8-13-32(30)34)46(72)58-35(15-10-20-56-50(54)55)44(70)63-40(27(2)66)48(74)64-41/h5-9,11-14,16-19,24,26-27,33,35-41,57,65-67H,10,15,20-23,25,52H2,1-4H3,(H2,53,68)(H,58,72)(H,59,73)(H,60,71)(H,61,69)(H,62,75)(H,63,70)(H,64,74)(H4,54,55,56)/t26-,27-,33+,35+,36+,37+,38+,39+,40+,41-/m1/s1"	""	""	""
"6409"	"CTEP"	""	"Synthetic organic"	""	""	""	""	"178103025"	"11646823"	""	""	""	""	""	""	""	"2-chloro-4-[2-[2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]ethynyl]pyridine"	""	"compound 3 [PMID: 25565255]"	"Clc1nccc(c1)C#Cc1nc(n(c1C)c1ccc(cc1)OC(F)(F)F)C"	"GOHCTCOGYKAJLZ-UHFFFAOYSA-N"	"InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3"	""	""	""
"14573"	"CTH120"	""	"Synthetic organic"	""	""	""	""	"530846821"	"75202368"	""	""	""	""	""	""	""	"2-[4-[3-(methylamino)-1-phenylpropoxy]phenyl]ethanol"	""	"CTH-120|example 2 [US9980928]"	"CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)CCO"	"GIGVAWWBRRBBAJ-UHFFFAOYSA-N"	"InChI=1S/C18H23NO2/c1-19-13-11-18(16-5-3-2-4-6-16)21-17-9-7-15(8-10-17)12-14-20/h2-10,18-20H,11-14H2,1H3"	""	""	""
"1674"	"CTOP"	""	"Peptide"	""	""	""	""	"135652067"	"5311058"	""	""	"CHEMBL507214"	""	""	""	""	"(4R,7S,10S,13R,16S,19R)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-10-(3-aminopropyl)-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide"	""	"Ctop-NH2|CTOPA"	"NCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC([C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)C(=O)N[C@H](C(=O)N)[C@H](O)C)(C)C)NC(=O)[C@@H](Cc1ccccc1)N)Cc1ccc(cc1)O)Cc1c[nH]c2c1cccc2"	"PZWWYAHWHHNCHO-FGHAYEPSSA-N"	"InChI=1S/C50H67N11O11S2/c1-26(62)39(42(53)65)59-49(72)41-50(3,4)74-73-25-38(58-43(66)33(52)21-28-11-6-5-7-12-28)47(70)56-36(22-29-16-18-31(64)19-17-29)45(68)57-37(23-30-24-54-34-14-9-8-13-32(30)34)46(69)55-35(15-10-20-51)44(67)60-40(27(2)63)48(71)61-41/h5-9,11-14,16-19,24,26-27,33,35-41,54,62-64H,10,15,20-23,25,51-52H2,1-4H3,(H2,53,65)(H,55,69)(H,56,70)(H,57,68)(H,58,66)(H,59,72)(H,60,67)(H,61,71)/t26-,27-,33-,35+,36+,37-,38+,39+,40+,41-/m1/s1"	""	""	""
"1741"	"CTP"	""	"Metabolite"	""	""	""	""	"135651463"	"6176"	""	""	"CHEMBL223533"	""	""	""	""	"[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate"	""	"cytidine triphosphate"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(nc1=O)N"	"PCDQPRRSZKQHHS-XVFCMESISA-N"	"InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1"	""	""	""
"12853"	"CTPI-2"	""	"Synthetic organic"	""	""	""	""	"483123401"	"106350"	""	""	""	""	""	""	""	"2-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid"	""	""	"OC(=O)C1=C(NS(=O)(=O)C2=CC=C(Cl)C(=C2)[N+]([O-])=O)C=CC=C1"	"NJTHPOSQGFJTDP-UHFFFAOYSA-N"	"InChI=1S/C13H9ClN2O6S/c14-10-6-5-8(7-12(10)16(19)20)23(21,22)15-11-4-2-1-3-9(11)13(17)18/h1-7,15H,(H,17,18)"	""	""	""
"5369"	"CTR-stimulating peptide"	"Pig"	"Peptide"	""	""	""	""	"178102028"	"0"	"Q862B1"	"ENSSSCG00000013390"	""	""	""	""	""	""	""	"calcitonin-receptor stimulating peptide|CRSP-1"	""	""	""	""	""	""
"14522"	"C-type lectin domain family 2 member D"	"Human"	"Peptide"	""	""	""	""	"528429843"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4896"	"C-type natriuretic peptide"	"Human"	"Peptide"	""	""	""	""	"178101596"	"0"	"P23582"	"ENSG00000163273"	""	""	""	""	""	""	""	"CNP|CNP-22"	""	""	""	""	""	""
"9795"	"CU-CPT8m"	""	"Synthetic organic"	""	""	""	""	"354702267"	"15042086"	""	""	""	""	""	""	""	"7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide"	""	"7-(m-Tolyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide|compound 5 [PMID: 29155428]"	"Cc1cccc(c1)c1ccnc2n1ncc2C(=O)N"	"HNKGGVGQAVODNJ-UHFFFAOYSA-N"	"InChI=1S/C14H12N4O/c1-9-3-2-4-10(7-9)12-5-6-16-14-11(13(15)19)8-17-18(12)14/h2-8H,1H3,(H2,15,19)"	"yes"	""	""
"12432"	"cucurbitacin B"	""	"Natural product"	""	""	""	""	"479821223"	"5281316"	""	""	"CHEMBL508185"	""	""	""	""	"[(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate"	""	"(+)-Cucurbitacin B|Amarine|Datisca principle B"	"CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)C)O)O"	"IXQKXEUSCPEQRD-DKRGWESNSA-N"	"InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1"	""	""	""
"8894"	"CUDC-101"	""	"Synthetic organic"	""	""	""	""	"310264675"	"24756910"	""	""	"CHEMBL598797"	""	""	""	""	"7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide"	""	"compound 8 [PMID: 20143778]|CUDC101"	"ONC(=O)CCCCCCOc1cc2c(ncnc2cc1OC)Nc1cccc(c1)C#C"	"PLIVFNIUGLLCEK-UHFFFAOYSA-N"	"InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)"	""	""	""
"12077"	"culmerciclib"	""	"Synthetic organic"	"yes"	""	""	""	"472319199"	"122544510"	""	""	""	""	""	""	""	"5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine"	"culmerciclib"	"compound 23a [PMID: 38670537]|Saitanxin&reg; (China)|TQB-3616|TQB3616"	"Fc1c(nc(nc1)Nc1ncc(cc1)N1CCNCC1)c1cc2c(n(nc2cc1)C)C(C)C"	"LLFOBMRPWNABCB-UHFFFAOYSA-N"	"InChI=1S/C24H27FN8/c1-15(2)23-18-12-16(4-6-20(18)31-32(23)3)22-19(25)14-28-24(30-22)29-21-7-5-17(13-27-21)33-10-8-26-9-11-33/h4-7,12-15,26H,8-11H2,1-3H3,(H,27,28,29,30)"	""	""	""
"7000"	"curcumin"	""	"Natural product"	""	""	""	""	"178103579"	"969516"	""	""	"CHEMBL140"	""	""	""	""	"(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione"	"curcumin"	""	"COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O"	"VFLDPWHFBUODDF-FCXRPNKRSA-N"	"InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+"	""	""	""
"9778"	"cusatuzumab"	""	"Antibody"	""	""	""	""	"354702251"	"0"	""	""	""	""	""	""	""	""	"cusatuzumab"	"ARGX-110|ARGX110|clone 41D12"	""	""	""	"yes"	""	""
"14714"	"custirsen"	""	"Nucleic acid"	""	""	""	""	""	"72941942"	""	""	""	""	""	""	""	""	"custirsen"	"ISIS 112989|ISIS-112989|ISIS112989|OGX-011|OGX011"	"CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=S)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=S)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=S)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=S)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=S)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=S)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=S)(O)O[C@H]%10C[C@@H](O[C@@H]%10COP(=S)(O)O[C@H]%11C[C@@H](O[C@@H]%11COP(=S)(O)O[C@@H]%12[C@H](O[C@H]([C@@H]%12OCCOC)N%13C=C(C(=NC%13=O)N)C)COP(=S)(O)O[C@@H]%14[C@H](O[C@H]([C@@H]%14OCCOC)N%15C=NC%16=C%15N=C(NC%16=O)N)COP(=S)(O)O[C@@H]%17[C@H](O[C@H]([C@@H]%17OCCOC)N%18C=NC%19=C(N=CN=C%19%18)N)COP(=S)(O)O[C@@H]%20[C@H](O[C@H]([C@@H]%20OCCOC)N%21C=C(C(=NC%21=O)N)C)CO)N%22C=NC%23=C(N=CN=C%23%22)N)N%24C=NC%25=C%24N=C(NC%25=O)N)N%26C=CC(=NC%26=O)N)N%27C=NC%28=C(N=CN=C%28%27)N)N%29C=NC%30=C%29N=C(NC%30=O)N)N%31C=NC%32=C(N=CN=C%32%31)N)N%33C=NC%34=C%33N=C(NC%34=O)N)N%35C=C(C(=O)NC%35=O)C)N%36C=CC(=NC%36=O)N)OP(=S)(O)OC[C@@H]%37[C@H](C[C@@H](O%37)N%38C=C(C(=O)NC%38=O)C)OP(=S)(O)OC[C@@H]%39[C@H](C[C@@H](O%39)N%40C=CC(=NC%40=O)N)OP(=S)(O)OC[C@@H]%41[C@H](C[C@@H](O%41)N%42C=NC%43=C(N=CN=C%43%42)N)OP(=S)(O)OC[C@@H]%44[C@H]([C@H]([C@@H](O%44)N%45C=C(C(=O)NC%45=O)C)OCCOC)OP(=S)(O)OC[C@@H]%46[C@H]([C@H]([C@@H](O%46)N%47C=C(C(=NC%47=O)N)C)OCCOC)OP(=O)(OC[C@@H]%48[C@H]([C@H]([C@@H](O%48)N%49C=NC%50=C(N=CN=C%50%49)N)OCCOC)OP(=S)(O)OC[C@@H]%51[C@H]([C@H]([C@@H](O%51)N%52C=C(C(=O)NC%52=O)C)OCCOC)O)S"	"RCFZILUHCNXXFY-DEDWCYLFSA-N"	"InChI=1S/C231H312N78O119P20S20/c1-97-52-295(224(324)273-181(97)235)210-174(361-32-24-353-10)166(118(60-310)401-210)422-444(347,464)383-78-136-171(179(366-37-29-358-15)215(406-136)308-95-265-160-189(243)253-86-259-195(160)308)427-448(351,468)387-80-138-172(180(367-38-30-359-16)216(408-138)309-96-269-164-199(309)279-220(247)283-208(164)320)428-447(350,467)385-76-134-168(175(362-33-25-354-11)211(403-134)296-53-98(2)182(236)274-225(296)325)423-442(345,462)380-73-131-114(48-151(397-131)303-90-263-158-187(241)251-84-257-193(158)303)417-439(342,459)379-72-128-115(49-152(398-128)304-91-266-161-196(304)276-217(244)280-205(161)317)418-435(338,455)370-63-121-107(41-144(390-121)291-22-19-141(234)272-223(291)323)411-430(333,450)374-67-125-111(45-148(394-125)300-87-260-155-184(238)248-81-254-190(155)300)415-437(340,457)378-71-130-117(51-154(400-130)306-93-268-163-198(306)278-219(246)282-207(163)319)420-440(343,460)376-68-126-112(46-149(395-126)301-88-261-156-185(239)249-82-255-191(156)301)416-438(341,458)377-70-129-116(50-153(399-129)305-92-267-162-197(305)277-218(245)281-206(162)318)419-436(339,456)373-66-124-109(43-146(393-124)293-56-101(5)201(313)285-228(293)328)413-433(336,453)368-61-119-105(39-142(388-119)289-20-17-139(232)270-221(289)321)409-429(332,449)371-64-122-110(44-147(391-122)294-57-102(6)202(314)286-229(294)329)414-434(337,454)372-65-123-108(42-145(392-123)292-55-100(4)200(312)284-227(292)327)412-432(335,452)369-62-120-106(40-143(389-120)290-21-18-140(233)271-222(290)322)410-431(334,451)375-69-127-113(47-150(396-127)302-89-262-157-186(240)250-83-256-192(157)302)421-441(344,461)382-75-133-167(177(364-35-27-356-13)213(405-133)299-59-104(8)204(316)288-231(299)331)424-445(348,465)384-77-135-169(176(363-34-26-355-12)212(404-135)297-54-99(3)183(237)275-226(297)326)425-446(349,466)386-79-137-170(178(365-36-28-357-14)214(407-137)307-94-264-159-188(242)252-85-258-194(159)307)426-443(346,463)381-74-132-165(311)173(360-31-23-352-9)209(402-132)298-58-103(7)203(315)287-230(298)330/h17-22,52-59,81-96,105-138,142-154,165-180,209-216,310-311H,23-51,60-80H2,1-16H3,(H,332,449)(H,333,450)(H,334,451)(H,335,452)(H,336,453)(H,337,454)(H,338,455)(H,339,456)(H,340,457)(H,341,458)(H,342,459)(H,343,460)(H,344,461)(H,345,462)(H,346,463)(H,347,464)(H,348,465)(H,349,466)(H,350,467)(H,351,468)(H2,232,270,321)(H2,233,271,322)(H2,234,272,323)(H2,235,273,324)(H2,236,274,325)(H2,237,275,326)(H2,238,248,254)(H2,239,249,255)(H2,240,250,256)(H2,241,251,257)(H2,242,252,258)(H2,243,253,259)(H,284,312,327)(H,285,313,328)(H,286,314,329)(H,287,315,330)(H,288,316,331)(H3,244,276,280,317)(H3,245,277,281,318)(H3,246,278,282,319)(H3,247,279,283,320)/t105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,209+,210+,211+,212+,213+,214+,215+,216+,429?,430?,431?,432?,433?,434?,435?,436?,437?,438?,439?,440?,441?,442?,443?,444?,445?,446?,447?,448?/m0/s1"	""	""	""
"4164"	"Cu<sup>2+</sup>"	""	"Inorganic"	""	""	""	""	"178100984"	"0"	""	""	""	""	""	""	""	""	""	"copper ion"	""	""	""	""	""	""
"419"	"CV-1674"	""	"Synthetic organic"	""	""	""	""	"135650140"	"100022"	""	""	"CHEMBL298235"	""	""	""	""	"2-[6-amino-2-(4-methoxyphenyl)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	""	"2-(4-methoxyphenyl)adenosine|CV 1674|CV1674|NSC 310669"	"OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)OC"	"VKSRAKNPXOTFAX-UHFFFAOYSA-N"	"InChI=1S/C17H19N5O5/c1-26-9-4-2-8(3-5-9)15-20-14(18)11-16(21-15)22(7-19-11)17-13(25)12(24)10(6-23)27-17/h2-5,7,10,12-13,17,23-25H,6H2,1H3,(H2,18,20,21)"	""	""	""
"420"	"CV-1808"	""	"Synthetic organic"	""	""	""	""	"135650141"	"6917803"	""	""	"CHEMBL1256672"	""	""	""	""	"(2R,3R,4S,5R)-2-[6-amino-2-(phenylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	""	"2-phenylaminoadenosine|CV 1808|CV1808"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Nc1ccccc1)nc2N"	"SCNILGOVBBRMBK-SDBHATRESA-N"	"InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11-,12-,15-/m1/s1"	""	""	""
"6079"	"CV-3988"	""	"Synthetic organic"	""	""	""	""	"178102700"	"107681"	""	""	"CHEMBL295212"	""	""	""	""	"[2-methoxy-3-(octadecylcarbamoyloxy)propyl] 2-(1,3-thiazol-3-ium-3-yl)ethyl phosphate"	""	"CV 3988|CV3988"	"CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC"	"NMHKTASGTFXJPL-UHFFFAOYSA-N"	"InChI=1S/C28H53N2O7PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-28(31)35-24-27(34-2)25-37-38(32,33)36-22-20-30-21-23-39-26-30/h21,23,26-27H,3-20,22,24-25H2,1-2H3,(H-,29,31,32,33)"	""	""	""
"1852"	"CV-6209"	""	"Synthetic organic"	""	""	""	""	"135650142"	"107757"	""	""	"CHEMBL1180101"	""	""	""	""	"[3-[acetyl-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamoyl]oxy-2-methoxypropyl] N-octadecylcarbamate"	""	"CV 6209|CV6209"	"CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC"	"LSUANMYXNFBGDT-UHFFFAOYSA-O"	"InChI=1S/C34H59N3O6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-35-33(39)42-28-32(41-4)29-43-34(40)37(30(3)38)27-31-24-21-23-26-36(31)6-2/h21,23-24,26,32H,5-20,22,25,27-29H2,1-4H3/p+1"	""	""	""
"13373"	"CVN293"	""	"Synthetic organic"	""	""	""	""	"496703343"	"164861551"	""	""	""	""	""	""	""	"4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine"	""	"CVN-293"	"NC1=NON=C1C2=NC3=C(N2CC4=CC=CN=N4)C(F)=CC=C3"	"ONRXHVJHFORDDI-UHFFFAOYSA-N"	"InChI=1S/C14H10FN7O/c15-9-4-1-5-10-12(9)22(7-8-3-2-6-17-19-8)14(18-10)11-13(16)21-23-20-11/h1-6H,7H2,(H2,16,21)"	"yes"	""	""
"12604"	"CVN45502"	""	"Synthetic organic"	""	""	""	""	"479821394"	"118308152"	""	""	"CHEMBL3932722"	""	""	""	""	"N-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide"	""	"CVN-45502"	"C[C@@]1(CCC[C@@H]1NC(=O)C2=C(C=CC=N2)N3N=CC=N3)NC4=NC=C(N=C4)C(F)(F)F"	"UNZFNWZMBMDMAR-UGSOOPFHSA-N"	"InChI=1S/C19H19F3N8O/c1-18(29-15-11-24-14(10-25-15)19(20,21)22)6-2-5-13(18)28-17(31)16-12(4-3-7-23-16)30-26-8-9-27-30/h3-4,7-11,13H,2,5-6H2,1H3,(H,25,29)(H,28,31)/t13-,18-/m0/s1"	""	""	""
"13165"	"CVN766"	""	"Synthetic organic"	""	""	""	""	"491299947"	"118308154"	""	""	"CHEMBL3958101"	""	""	""	""	"N-[(1S,2S)-2-[[3-ethyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide"	""	"CVN-766"	"CCC1=C(N[C@H]2CCC[C@@H]2NC(=O)C3=C(C=CC=N3)N4N=CC=N4)N=CC(=N1)C(F)(F)F"	"UFGCLPDMIZHEED-KBPBESRZSA-N"	"InChI=1S/C20H21F3N8O/c1-2-12-18(25-11-16(28-12)20(21,22)23)29-13-5-3-6-14(13)30-19(32)17-15(7-4-8-24-17)31-26-9-10-27-31/h4,7-11,13-14H,2-3,5-6H2,1H3,(H,25,29)(H,30,32)/t13-,14-/m0/s1"	""	""	""
"5615"	"CVT-6883"	""	"Synthetic organic"	""	""	""	""	"178102249"	"11270783"	""	""	"CHEMBL260933"	""	""	""	""	"3-ethyl-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione"	""	"CVT 6883|CVT6883"	"CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F"	"KOYXXLLNCXWUNF-UHFFFAOYSA-N"	"InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)"	""	""	""
"14665"	"CW-10201"	""	"Synthetic organic"	""	""	""	""	"530846913"	"179075713"	""	""	""	""	""	""	""	"3-(1′-((1-((1-(((7-(8-Ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-4-((S)-1-oxa-6-azaspiro[3.5]nonan-6-yl)pyrido[4,3-d]pyrimidin-2-yl)oxy)methyl)cyclopropyl)methyl)-4-fluoropiperidin-4-yl)methyl)-1-methyl-2-oxo-1,2-dihydro-3H,6H-spiro[benzofuro[5,6-d]imidazole-7,4′-piperidin]-3-yl)piperidine-2,6-dione"	""	""	"FC1=C(C2=CC(O)=CC3=CC=C(F)C(CC)=C32)N=CC4=C(N5CCC[C@]6(CCO6)C5)N=C(OCC7(CC7)CN8CCC(CN9CCC%10(CC9)COC%11=CC%12=C(N(C)C(N%12C%13CCC(NC%13=O)=O)=O)C=C%11%10)(F)CC8)N=C41"	"WOHUMPUYAKVSDD-DSLDWSAXSA-N"	"InChI=1S/C56H62F3N9O7/c1-3-35-39(57)6-5-33-23-34(69)24-36(45(33)35)47-46(58)48-37(27-60-47)49(67-17-4-9-56(30-67)16-22-75-56)63-51(62-48)74-31-53(10-11-53)28-65-20-14-55(59,15-21-65)29-66-18-12-54(13-19-66)32-73-43-26-42-41(25-38(43)54)64(2)52(72)68(42)40-7-8-44(70)61-50(40)71/h5-6,23-27,40,69H,3-4,7-22,28-32H2,1-2H3,(H,61,70,71)/t40?,56-/m0/s1"	""	""	""
"12791"	"CW85319"	""	"Synthetic organic"	""	""	""	""	"483123339"	"168433302"	""	""	""	""	""	""	""	"4-(5-(4-((2-(2-(2-hydroxyethoxy)ethoxy)ethyl)thio)phenyl)pyridin-3-yl)phenol"	""	"CW-85319"	"OC1=CC=C(C2=CN=CC(C3=CC=C(SCCOCCOCCO)C=C3)=C2)C=C1"	"PIKHQWNSRFEHPA-UHFFFAOYSA-N"	"InChI=1S/C23H25NO4S/c25-9-10-27-11-12-28-13-14-29-23-7-3-19(4-8-23)21-15-20(16-24-17-21)18-1-5-22(26)6-2-18/h1-8,15-17,25-26H,9-14H2"	""	""	""
"10495"	"CWHM12"	""	"Synthetic organic"	""	""	""	""	"387065577"	"72949858"	""	""	"CHEMBL3319237"	""	""	""	""	"(3S)-3-(3-bromo-5-tert-butylphenyl)-3-[[2-[[3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]propanoic acid"	""	"CWHM 12|CWHM-12"	"OC1CNC(=NC1)Nc1cc(O)cc(c1)C(=O)NCC(=O)N[C@H](c1cc(Br)cc(c1)C(C)(C)C)CC(=O)O"	"YDHAGPCZRFQPOI-NRFANRHFSA-N"	"InChI=1S/C26H32BrN5O6/c1-26(2,3)16-4-14(5-17(27)8-16)21(10-23(36)37)32-22(35)13-28-24(38)15-6-18(9-19(33)7-15)31-25-29-11-20(34)12-30-25/h4-9,20-21,33-34H,10-13H2,1-3H3,(H,28,38)(H,32,35)(H,36,37)(H2,29,30,31)/t21-/m0/s1"	""	""	""
"7663"	"CX4"	""	"Synthetic organic"	""	""	""	""	"223365998"	"2725220"	""	""	""	""	""	""	""	"3-(2-chloro-6-methylphenyl)-1-[1,2-di(phenyl)ethyl]thiourea"	""	""	"S=C(Nc1c(C)cccc1Cl)NC(c1ccccc1)Cc1ccccc1"	"LHTLPGOZLLOCIS-UHFFFAOYSA-N"	"InChI=1S/C22H21ClN2S/c1-16-9-8-14-19(23)21(16)25-22(26)24-20(18-12-6-3-7-13-18)15-17-10-4-2-5-11-17/h2-14,20H,15H2,1H3,(H2,24,25,26)"	""	""	""
"9373"	"CX-5011"	""	"Synthetic organic"	""	""	""	""	"328083475"	"72200352"	""	""	""	""	""	""	""	"5-(3-ethynylanilino)pyrimido[4,5-c]quinoline-8-carboxylate"	""	""	"C#Cc1cccc(c1)Nc1nc2cc(ccc2c2c1ncnc2)C(=O)[O-]"	"HJGFPNFAFSFDNN-UHFFFAOYSA-M"	"InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)/p-1"	""	""	""
"4165"	"CX516"	""	"Synthetic organic"	""	""	""	""	"178100985"	"148184"	""	""	"CHEMBL136800"	""	""	""	""	"6-[(piperidin-1-yl)carbonyl]quinoxaline"	""	"BDP-12|CX 516|CX-516"	"O=C(c1ccc2c(c1)nccn2)N1CCCCC1"	"ANDGGVOPIJEHOF-UHFFFAOYSA-N"	"InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2"	""	""	""
"9374"	"CX-5279"	""	"Synthetic organic"	""	""	""	""	"328083476"	"72200387"	""	""	""	""	""	""	""	"3-(cyclopropylamino)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylate"	""	""	"[O-]C(=O)c1ccc2c(c1)nc(c1c2cnc(n1)NC1CC1)Nc1cccc(c1)C(F)(F)F"	"UXZATHOFDZQOMY-UHFFFAOYSA-M"	"InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)/p-1"	""	""	""
"4166"	"CX546"	""	"Synthetic organic"	""	""	""	""	"178100986"	"2890"	""	""	"CHEMBL1255648"	""	""	""	""	"1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]piperidine"	""	"CX 546|CX-546"	"O=C(c1ccc2c(c1)OCCO2)N1CCCCC1"	"LJUNPHMOGNFFOS-UHFFFAOYSA-N"	"InChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2"	""	""	""
"9701"	"CX549"	""	"Synthetic organic"	""	""	""	""	"348353660"	"118965258"	""	""	""	""	""	""	""	"(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid"	""	"compound 63 [WO2016048861]|CX-549"	"OC(=O)[C@H](CCC(=O)N1CCC(CC1)Nc1nc(NCc2nnn(c2)CCCNCCCNC2CCCCC2)nc2c1cccc2)N"	"QOVYHDHLFPKQQG-NDEPHWFRSA-N"	"InChI=1S/C33H51N11O3/c34-28(32(46)47)12-13-30(45)43-20-14-25(15-21-43)38-31-27-10-4-5-11-29(27)39-33(40-31)37-22-26-23-44(42-41-26)19-7-17-35-16-6-18-36-24-8-2-1-3-9-24/h4-5,10-11,23-25,28,35-36H,1-3,6-9,12-22,34H2,(H,46,47)(H2,37,38,39,40)/t28-/m0/s1"	"yes"	""	""
"7842"	"CX614"	""	"Synthetic organic"	""	""	""	""	"223366172"	"6451148"	""	""	"CHEMBL599662"	""	""	""	""	""	""	"BDP 37|CX 614|CX-614"	"O=C1N2CCCC2Oc2c1cc1OCCOc1c2"	"RQEPVMAYUINZRE-UHFFFAOYSA-N"	"InChI=1S/C13H13NO4/c15-13-8-6-10-11(17-5-4-16-10)7-9(8)18-12-2-1-3-14(12)13/h6-7,12H,1-5H2"	""	""	""
"9368"	"CX-6258"	""	"Synthetic organic"	""	""	""	""	"328083470"	"44545852"	""	""	"CHEMBL2037200"	""	""	""	""	"(3E)-5-chloro-3-[[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one"	""	"compound 13 [PMID: 24900437]|CX6258"	"CN1CCCN(CC1)C(=O)c1cccc(c1)c1ccc(o1)/C=C\1/C(=O)Nc2c1cc(Cl)cc2"	"KGBPLKOPSFDBOX-CJLVFECKSA-N"	"InChI=1S/C26H24ClN3O3/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31)/b22-16+"	""	""	""
"4423"	"CXCL1"	"Mouse"	"Peptide"	""	""	""	""	"135651701"	"0"	"P12850"	"ENSMUSG00000029380"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"819"	"CXCL1"	"Human"	"Peptide"	""	""	""	""	"135651702"	"0"	"P09341"	"ENSG00000163739"	""	""	""	""	""	""	""	"GRO&alpha;|melanocyte growth-stimulatory activity|MIP-2"	""	""	""	"yes"	""	""
"826"	"CXCL1"	"Rat"	"Peptide"	""	""	""	""	"135651703"	"0"	"P14095"	"ENSRNOG00000002802"	""	""	""	""	""	""	""	"CINC|GRO&alpha;|macrophage inflammatory protein-2"	""	""	""	"yes"	""	""
"4430"	"CXCL10"	"Mouse"	"Peptide"	""	""	""	""	"135651704"	"0"	"P17515"	"ENSMUSG00000034855"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4431"	"CXCL10"	"Rat"	"Peptide"	""	""	""	""	"135651706"	"0"	"P48973"	"ENSRNOG00000022256"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"835"	"CXCL10"	"Human"	"Peptide"	""	""	""	""	"135651705"	"0"	"P02778"	"ENSG00000169245"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4432"	"CXCL11"	"Mouse"	"Peptide"	""	""	""	""	"135651707"	"0"	"Q9JHH5"	"ENSMUSG00000060183"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"836"	"CXCL11"	"Human"	"Peptide"	""	""	""	""	"135651708"	"0"	"O14625"	"ENSG00000169248"	""	""	""	""	""	""	""	"IP9|ITAC"	""	""	""	"yes"	""	""
"4465"	"CXCL12"	"Mouse"	"Peptide"	""	""	""	""	"178101202"	"0"	"P40224"	"ENSMUSG00000061353"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"846"	"CXCL12-(1-17)"	""	"Peptide"	""	""	""	""	"135652069"	"155817384"	""	""	""	""	""	""	""	""	""	"CXCL12, 1-17|SDF-1, 1-17|stromal cell-derived factor-1, N-terminal fragment"	"CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O"	"UQMATGKUTLWKOZ-DMVRXRCYSA-N"	"InChI=1S/C92H138N26O24S2/c1-49(2)37-60(106-82(133)67(45-121)113-87(138)73(50(3)4)116-86(137)71-25-15-35-117(71)88(139)56(94)21-11-12-32-93)77(128)112-65(43-119)81(132)109-63(40-53-26-28-55(122)29-27-53)78(129)103-58(23-14-34-101-92(97)98)75(126)115-69(47-144)89(140)118-36-16-24-70(118)85(136)114-68(46-143)84(135)104-57(22-13-33-100-91(95)96)74(125)107-62(39-52-19-9-6-10-20-52)80(131)108-61(38-51-17-7-5-8-18-51)79(130)105-59(30-31-72(123)124)76(127)111-66(44-120)83(134)110-64(90(141)142)41-54-42-99-48-102-54/h5-10,17-20,26-29,42,48-50,56-71,73,119-122,143-144H,11-16,21-25,30-41,43-47,93-94H2,1-4H3,(H,99,102)(H,103,129)(H,104,135)(H,105,130)(H,106,133)(H,107,125)(H,108,131)(H,109,132)(H,110,134)(H,111,127)(H,112,128)(H,113,138)(H,114,136)(H,115,126)(H,116,137)(H,123,124)(H,141,142)(H4,95,96,100)(H4,97,98,101)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,73-/m0/s1"	""	""	""
"847"	"CXCL12-(1-9)"	""	"Peptide"	""	""	""	""	"135652070"	"5273315"	""	""	""	""	""	""	""	""	""	"CXCL12, 1-9"	"CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)O"	"LDJISKZMVNIUHX-VXJRNSOOSA-N"	"InChI=1S/C46H77N13O13S/c1-24(2)19-30(53-41(67)33(22-61)56-43(69)36(25(3)4)58-42(68)35-11-8-18-59(35)44(70)28(48)9-5-6-16-47)38(64)55-32(21-60)40(66)54-31(20-26-12-14-27(62)15-13-26)39(65)52-29(10-7-17-51-46(49)50)37(63)57-34(23-73)45(71)72/h12-15,24-25,28-36,60-62,73H,5-11,16-23,47-48H2,1-4H3,(H,52,65)(H,53,67)(H,54,66)(H,55,64)(H,56,69)(H,57,63)(H,58,68)(H,71,72)(H4,49,50,51)/t28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1"	""	""	""
"848"	"CXCL12-(1-9) dimer"	""	"Peptide"	""	""	""	""	"135652071"	"0"	""	""	""	"847"	"CXCL12-(1-9)"	"847:no_UniProt_ID"	"847:no_ENS_ID"	""	""	"CXCL12, 1-9 dimer|stromal cell-derived factor-1, N-terminal fragment dimer"	""	""	""	""	""	""
"4358"	"CXCL12&alpha;"	"Human"	"Peptide"	""	""	""	""	"135651881"	"0"	"P48061"	"ENSG00000107562"	""	""	""	""	""	""	""	"CXCL12 &alpha;|SDF-1&alpha;|stromal cell-derived factor-1&alpha;"	""	""	""	"yes"	""	""
"845"	"CXCL12&beta;"	"Human"	"Peptide"	""	""	""	""	"135651882"	"0"	"P48061"	"ENSG00000107562"	""	""	""	""	""	""	""	"SDF-1&beta;|stromal cell-derived factor-1 (SDF-1)|stromal cell-derived factor-1&beta;"	""	""	""	"yes"	""	""
"8531"	"CXCL12&delta;"	"Human"	"Peptide"	""	""	""	""	"252166733"	"0"	"P48061"	"ENSG00000107562"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"8532"	"CXCL12&epsilon;"	"Human"	"Peptide"	""	""	""	""	"252166734"	"0"	"P48061"	"ENSG00000107562"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"8530"	"CXCL12&gamma;"	"Human"	"Peptide"	""	""	""	""	"252166732"	"0"	"P48061"	"ENSG00000107562"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"8533"	"CXCL12&phi;"	"Human"	"Peptide"	""	""	""	""	"252166735"	"0"	"P48061"	"ENSG00000107562"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"8535"	"CXCL12<sub>2</sub> (dimer)"	""	"Peptide"	""	""	""	""	"252166737"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8534"	"CXCL12<sub>H25R</sub> (monomer)"	""	"Peptide"	""	""	""	""	"252166736"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4466"	"CXCL13"	"Mouse"	"Peptide"	""	""	""	""	"135651709"	"0"	"O55038"	"ENSMUSG00000023078"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"3645"	"CXCL13"	"Human"	"Peptide"	""	""	""	""	"135651710"	"0"	"O43927"	"ENSG00000156234"	""	""	""	""	""	""	""	"BCA-1"	""	""	""	"yes"	""	""
"3680"	"CXCL14"	"Human"	"Peptide"	""	""	""	""	"178100570"	"0"	"O95715"	"ENSG00000145824"	""	""	""	""	""	""	""	"BMAC"	""	""	""	"yes"	""	""
"3862"	"CXCL15"	"Mouse"	"Peptide"	""	""	""	""	"178100701"	"0"	"Q9WVL7"	"ENSMUSG00000029375"	""	""	""	""	""	""	""	"lungkine (mouse)"	""	""	""	"yes"	""	""
"855"	"CXCL16"	"Human"	"Peptide"	""	""	""	""	"135651711"	"0"	"Q9H2A7"	"ENSG00000161921"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4433"	"CXCL16"	"Mouse"	"Peptide"	""	""	""	""	"135651712"	"0"	"Q8BSU2"	"ENSMUSG00000018920"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4467"	"CXCL16"	"Rat"	"Peptide"	""	""	""	""	"135651713"	"0"	"Q6AXU5"	"ENSRNOG00000026647"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"6479"	"CXCL17"	"Human"	"Peptide"	""	""	""	""	"178103093"	"0"	"Q6UXB2"	"ENSG00000189377"	""	""	""	""	""	""	""	"C-X-C motif chemokine 17|dendritic cell and monocyte chemokine-like protein"	""	""	""	"yes"	""	""
"4425"	"CXCL2"	"Rat"	"Peptide"	""	""	""	""	"135651716"	"0"	"P30348"	"ENSRNOG00000002792"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4424"	"CXCL2"	"Mouse"	"Peptide"	""	""	""	""	"135651715"	"0"	"P10889"	"ENSMUSG00000058427"	""	""	""	""	""	""	""	"macrophage inflammatory protein 2 (MIP-2)"	""	""	""	"yes"	""	""
"827"	"CXCL2"	"Human"	"Peptide"	""	""	""	""	"135651714"	"0"	"P19875"	"ENSG00000081041"	""	""	""	""	""	""	""	"GRO&beta;|MIP-2&alpha;"	""	""	""	"yes"	""	""
"4427"	"CXCL3"	"Rat"	"Peptide"	""	""	""	""	"135651719"	"0"	"Q10746"	"ENSRNOG00000028043"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4426"	"CXCL3"	"Mouse"	"Peptide"	""	""	""	""	"135651717"	"0"	"Q6W5C0"	"ENSMUSG00000029379"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"828"	"CXCL3"	"Human"	"Peptide"	""	""	""	""	"135651718"	"0"	"P19876"	"ENSG00000163734"	""	""	""	""	""	""	""	"GRO&gamma;|MIP-2&beta;"	""	""	""	"yes"	""	""
"3685"	"CXCL4"	"Human"	"Peptide"	""	""	""	""	"178100574"	"0"	"P02776"	"ENSG00000163737"	""	""	""	""	""	""	""	"platelet factor 4 (PF4)"	""	""	""	"yes"	""	""
"4464"	"CXCL5"	"Rat"	"Peptide"	""	""	""	""	"135651720"	"0"	"P97885"	"ENSRNOG00000002843"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"829"	"CXCL5"	"Human"	"Peptide"	""	""	""	""	"135651721"	"0"	"P42830"	"ENSG00000163735"	""	""	""	""	""	""	""	"ENA-78"	""	""	""	"yes"	""	""
"4428"	"CXCL5"	"Mouse"	"Peptide"	""	""	""	""	"135651722"	"0"	"P50228"	"ENSMUSG00000029371"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"820"	"CXCL6"	"Human"	"Peptide"	""	""	""	""	"135651723"	"0"	"P80162"	"ENSG00000124875"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"830"	"CXCL7"	"Human"	"Peptide"	""	""	""	""	"135651724"	"0"	"P02775"	"ENSG00000163736"	""	""	""	""	""	""	""	"PPBP"	""	""	""	"yes"	""	""
"821"	"CXCL8"	"Human"	"Peptide"	""	""	""	""	"135651725"	"0"	"P10145"	"ENSG00000169429"	""	""	""	""	""	""	""	"interleukin-8"	""	""	""	"yes"	""	""
"4429"	"CXCL9"	"Mouse"	"Peptide"	""	""	""	""	"135651726"	"0"	"P18340"	"ENSMUSG00000029417"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"837"	"CXCL9"	"Human"	"Peptide"	""	""	""	""	"135651727"	"0"	"Q07325"	"ENSG00000138755"	""	""	""	""	""	""	""	"MIG|monokine induced by gamma-interferon"	""	""	""	"yes"	""	""
"10146"	"CXCR4 antagonist 22"	""	"Synthetic organic"	""	""	""	""	"381118856"	"137321154"	""	""	""	""	""	""	""	"1-([1,1′-biphenyl]-3-yl)-N-((1-(2-chlorobenzyl)piperidin-4-yl)methyl)methanamine"	""	""	"Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1"	"XBEBHNXBLIDZDS-UHFFFAOYSA-N"	"InChI=1S/C26H29ClN2/c27-26-12-5-4-10-25(26)20-29-15-13-21(14-16-29)18-28-19-22-7-6-11-24(17-22)23-8-2-1-3-9-23/h1-12,17,21,28H,13-16,18-20H2"	"yes"	""	""
"856"	"CX<sub>3</sub>CL1"	"Human"	"Peptide"	""	""	""	""	"135651730"	"0"	"P78423"	"ENSG00000006210"	""	""	""	""	""	""	""	"fractalkine|neurotactin"	""	""	""	"yes"	""	""
"4469"	"CX<sub>3</sub>CL1"	"Rat"	"Peptide"	""	""	""	""	"135651729"	"0"	"O55145"	"ENSRNOG00000016326"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4468"	"CX<sub>3</sub>CL1"	"Mouse"	"Peptide"	""	""	""	""	"135651728"	"0"	"O35188"	"ENSMUSG00000031778"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"10057"	"CY-09"	""	"Synthetic organic"	""	""	""	""	"375973245"	"44561595"	""	""	"CHEMBL488823"	""	""	""	""	"4-[(Z)-[4-oxo-2-sulfanylidene-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid"	""	""	"S=C1S/C(=C\c2ccc(cc2)C(=O)O)/C(=O)N1Cc1cccc(c1)C(F)(F)F"	"DJTINRHPPGAPLD-DHDCSXOGSA-N"	"InChI=1S/C19H12F3NO3S2/c20-19(21,22)14-3-1-2-12(8-14)10-23-16(24)15(28-18(23)27)9-11-4-6-13(7-5-11)17(25)26/h1-9H,10H2,(H,25,26)/b15-9-"	"yes"	""	""
"3863"	"Cy3B-NMU-8"	""	"Peptide"	""	""	"yes"	""	"178100702"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8598"	"Cy3B-telenzepine"	""	"Synthetic organic"	""	""	"yes"	""	"252166799"	"91827377"	""	""	""	""	""	""	""	""	""	""	"O=C(Cc1ccc2c(c1)C(C)(C)C1=C3C=C4C(OC3CCN21)CC[N+]1=C4C(C)(C)c2c1ccc(c2)S([O-])([O-])[O-])NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2"	"DGPHRPUJPHDIPO-UHFFFAOYSA-L"	"InChI=1S/C59H73N7O7S2/c1-38-54-43(37-74-38)57(69)61-46-16-12-13-17-49(46)66(54)53(68)36-63-30-28-62(29-31-63)25-15-11-9-7-6-8-10-14-24-60-52(67)33-39-18-20-47-44(32-39)58(2,3)55-41-35-42-51(73-50(41)22-26-64(47)55)23-27-65-48-21-19-40(75(70,71)72)34-45(48)59(4,5)56(42)65/h12-13,16-21,32,34-35,37,50-51H,6-11,14-15,22-31,33,36H2,1-5H3,(H4-,60,61,67,69,70,71,72)/p-2"	""	""	""
"9166"	"[Cy5-Lys<sup>19</sup>]NPS"	""	"Peptide"	""	""	"yes"	""	"315661249"	"0"	""	""	""	""	""	""	""	""	""	"Cy5-hNPS"	""	""	""	""	""	""
"84"	"cyamemazine"	""	"Synthetic organic"	""	""	""	""	"135650143"	"62865"	""	""	"CHEMBL2104153"	""	""	""	""	"10-(3-dimethylamino-2-methylpropyl)phenothiazine-2-carbonitrile"	"cyamemazine"	"cyamepromazine|RP-7204"	"N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1"	"SLFGIOIONGJGRT-UHFFFAOYSA-N"	"InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3"	""	""	""
"132"	"cyanopindolol"	""	"Synthetic organic"	""	""	""	""	"135650144"	"155346"	""	""	"CHEMBL378501"	""	""	""	""	"4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile"	""	""	"N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2"	"QXIUMMLTJVHILT-UHFFFAOYSA-N"	"InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-7,12,18-20H,9-10H2,1-3H3"	""	""	""
"2368"	"cyanotriphenylborate"	""	"Synthetic organic"	""	""	""	""	"135652748"	"151925"	""	""	"CHEMBL1628709"	""	""	""	""	"cyano-tri(phenyl)boron"	""	""	"N#C[B-](c1ccccc1)(c1ccccc1)c1ccccc1"	"HYJITQQQMJSBOL-UHFFFAOYSA-N"	"InChI=1S/C19H15BN/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H/q-1"	""	""	""
"4817"	"cyclacillin"	""	"Synthetic organic"	"yes"	""	""	""	"178101519"	"19003"	""	""	"CHEMBL1200356"	""	""	""	""	"(2S,5R,6R)-6-(1-aminocyclohexaneamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"ciclacillin"	"ciclacillin|Cyclapen&reg;|Vastcillin&reg;|Wy-4508"	"OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)C1(N)CCCCC1"	"HGBLNBBNRORJKI-WCABBAIRSA-N"	"InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1"	""	""	"yes"
"12470"	"cyclamate"	""	"Synthetic organic"	""	""	""	""	"479821260"	"7533"	""	""	"CHEMBL1206440"	""	""	""	""	"cyclohexylsulfamic acid"	""	"cyclamic acid|Cyclohexanesulfamic acid|Hexamic acid"	"C1CCC(CC1)NS(=O)(=O)O"	"HCAJEUSONLESMK-UHFFFAOYSA-N"	"InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)"	""	""	""
"1604"	"(-)-cyclazocine"	""	"Synthetic organic"	""	""	""	""	"135650145"	"21779964"	""	""	""	""	""	""	""	""	"cyclazocine"	""	"Oc1ccc2c(c1)[C@]1(C)CCN([C@@H](C2)C1C)CC1CC1"	"YQYVFVRQLZMJKJ-OTLVQASYSA-N"	"InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12?,17-,18+/m0/s1"	""	""	""
"486"	"(+)-cyclazosin"	""	"Synthetic organic"	""	""	""	""	"135650146"	"132266"	""	""	"CHEMBL423294"	""	""	""	""	"[(4aR,8aS)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-furan-2-ylmethanone"	""	""	"COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1"	"XBRXTUGRUXGBPX-DLBZAZTESA-N"	"InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1"	""	""	""
"2352"	"cyclic AMP"	""	"Metabolite"	""	""	""	""	"135651452"	"6076"	""	""	"CHEMBL316966"	""	""	""	""	"(1S,6R,8R,9R)-8-(6-aminopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol"	""	"3' 5'-adenosine monophosphate|3',5'-cyclic AMP|cAMP|cyclic adenosine monophosphate"	"O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2N"	"IVOMOUWHDPKRLL-KQYNXXCUSA-N"	"InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1"	""	""	""
"6261"	"cyclic CMP"	""	"Synthetic organic"	""	""	""	""	"178102881"	"19236"	""	""	"CHEMBL72442"	""	""	""	""	"4-amino-1-[(1S,6R,8R,9R)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]pyrimidin-2-one"	""	"cCMP|cytidine, cyclic 3',5'-(hydrogen phosphate)"	"O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1ccc(nc1=O)N"	"WCPTXJJVVDAEMW-XVFCMESISA-N"	"InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1"	""	""	""
"13137"	"cyclic di-GMP"	""	"Synthetic organic"	""	""	""	""	"491299919"	"135440063"	""	""	"CHEMBL1231573"	""	""	""	""	""	""	"Bis-(3'-5')-cyclic dimeric guanosine monophosphate|c-di-GMP|cGpGp|dyclic diguanylate monophosphate"	"C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C6N=C(NC7=O)N)O)OP(=O)(O1)O)O"	"PKFDLKSEZWEFGL-MHARETSRSA-N"	"InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1"	"yes"	""	""
"2347"	"cyclic GMP"	""	"Metabolite"	""	""	""	""	"135651454"	"135398570"	""	""	"CHEMBL395336"	""	""	""	""	"2-amino-9-[(1S,6R,8R,9R)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-3H-purin-6-one"	""	"3',5'-cyclic GMP|3',5'-guanosine monophosphate|cGMP|cyclic guanosine monophosphate"	"O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c1nc(N)[nH]c2=O"	"ZOOGRGPOEVQQDX-UUOKFMHZSA-N"	"InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1"	""	""	""
"8333"	"cyclic INSL3 B-chain analogue 6"	""	"Peptide"	""	""	""	""	"252166545"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7151"	"cyclizine"	""	"Synthetic organic"	"yes"	""	""	""	"178103726"	"6726"	""	""	"CHEMBL648"	""	""	""	""	"1-(diphenylmethyl)-4-methylpiperazine"	"cyclizine"	"Marezine&reg;"	"CN1CCN(CC1)C(c1ccccc1)c1ccccc1"	"UVKZSORBKUEBAZ-UHFFFAOYSA-N"	"InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3"	""	""	""
"2025"	"cyclo(7-12) Des-AA<sup>1,2,5</sup>-[Glu<sup>7</sup>,D-Trp<sup>8</sup>,IAmp<sup>9</sup>,m-I-Tyr<sup>11</sup>,hhLys<sup>12</sup>]SRIF"	""	"Peptide"	""	""	""	""	"135652072"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6313"	"cyclo apelin-12 (1-12)"	""	"Peptide"	""	""	""	""	"178102932"	"0"	""	""	""	""	""	""	""	""	""	"C1"	""	""	""	""	""	""
"6311"	"cyclo apelin-12 (7-12)"	""	"Peptide"	""	""	""	""	"178102930"	"0"	""	""	""	""	""	""	""	""	""	"C4"	""	""	""	""	""	""
"7152"	"cyclobenzaprine"	""	"Synthetic organic"	"yes"	""	""	""	"178103727"	"2895"	""	""	"CHEMBL669"	""	""	""	""	"3-(dibenzo[1,2-a:1',2'-e][7]annulen-11-ylidene)-N,N-dimethylpropan-1-amine"	"cyclobenzaprine"	"Amrix&reg;|Fexmid|MK-130"	"CN(CCC=C1c2ccccc2C=Cc2c1cccc2)C"	"JURKNVYFZMSNLP-UHFFFAOYSA-N"	"InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3"	""	""	""
"5491"	"cyclocreatine"	""	"Synthetic organic"	""	""	""	""	"178102138"	"2896"	""	""	"CHEMBL179900"	""	""	""	""	"2-(2-amino-4,5-dihydro-1H-imidazol-1-yl)acetic acid"	""	"AM 285"	"NC1=NCCN1CC(=O)O"	"AMHZIUVRYRVYBA-UHFFFAOYSA-N"	"InChI=1S/C5H9N3O2/c6-5-7-1-2-8(5)3-4(9)10/h1-3H2,(H2,6,7)(H,9,10)"	""	""	""
"10027"	"cycloguanil"	""	"Synthetic organic"	""	""	""	""	"375973215"	"9049"	""	""	"CHEMBL747"	""	""	""	""	"1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine"	"cycloguanil embonate"	""	"Clc1ccc(cc1)N1C(=NC(=NC1(C)C)N)N"	"QMNFFXRFOJIOKZ-UHFFFAOYSA-N"	"InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)"	""	"yes"	""
"5433"	"cycloheximide"	""	"Synthetic organic"	""	""	""	""	"178102085"	"6197"	""	""	"CHEMBL123292"	""	""	""	""	"4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione"	""	"FT 3422-2|naramycin A|NM-MCD 80|NSC 185"	"C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC1CC(=O)NC(=O)C1)O"	"YPHMISFOHDHNIV-FSZOTQKASA-N"	"InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1"	""	""	""
"5507"	"cyclohexylamine"	""	"Synthetic organic"	""	""	""	""	"178102153"	"7965"	""	""	"CHEMBL1794762"	""	""	""	""	"Cyclohexanamine"	""	""	"NC1CCCCC1"	"PAFZNILMFXTMIY-UHFFFAOYSA-N"	"InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2"	""	""	""
"13756"	"cyclohexylgriselimycin"	""	"Peptide"	""	""	""	""	"507750389"	"78209998"	""	""	""	""	""	""	""	"(2S,4R)-1-[(2S)-2-[acetyl(methyl)amino]-3-methylbutanoyl]-N-[(3S,6S,9S,11R,15S,18S,19R,25R,28S,30S)-30-cyclohexyl-4,11,19,26-tetramethyl-6,15,25-tris(2-methylpropyl)-2,5,8,14,17,21,24,27-octaoxo-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.0<sup>9,13</sup>]hentriacontan-18-yl]-N,4-dimethylpyrrolidine-2-carboxamide"	""	"cyclohexyl-griselimycin"	"C[C@@H]1C[C@H]2C(=O)N[C@H](C(=O)N([C@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N([C@@H](C(=O)NCC(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N2C1)CC(C)C)N(C)C(=O)[C@@H]4C[C@H](CN4C(=O)[C@H](C(C)C)N(C)C(=O)C)C)C)CC(C)C)C)C5CCCCC5)C(C)C)C)CC(C)C"	"QVJWQAABJRGBNE-JLLURPHASA-N"	"InChI=1S/C63H106N10O12/c1-34(2)24-45-58(79)69(17)53(38(9)10)63(84)73-33-44(43-22-20-19-21-23-43)29-50(73)60(81)68(16)47(26-36(5)6)55(76)64-30-51(75)85-41(13)54(57(78)66-46(25-35(3)4)59(80)71-31-39(11)27-48(71)56(77)65-45)70(18)61(82)49-28-40(12)32-72(49)62(83)52(37(7)8)67(15)42(14)74/h34-41,43-50,52-54H,19-33H2,1-18H3,(H,64,76)(H,65,77)(H,66,78)/t39-,40-,41-,44-,45+,46+,47-,48+,49+,50+,52+,53+,54+/m1/s1"	""	""	"yes"
"12467"	"Cyclolinopeptide 1-Mso,3-Met-CL6"	""	"Peptide"	""	""	""	""	"479821257"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10328"	"cyclopamine"	""	"Natural product"	""	""	""	""	"381745009"	"442972"	""	""	"CHEMBL254129"	""	""	""	""	""	""	"11-Deoxyjervine"	"O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C"	"QASFUMOKHFSJGL-LAFRSMQTSA-N"	"InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1"	""	""	""
"10329"	"cyclopamine-KAAD"	""	"Synthetic organic"	""	""	""	""	"381745010"	"4184747"	""	""	""	""	""	""	""	"N-[2-(3',6',10,11b-tetramethyl-3-oxospiro[1,2,4,6,6a,6b,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl)ethyl]-6-(3-phenylpropanoylamino)hexanamide"	""	"3-keto, N-aminoethyl aminocaproyl dihydrocinnamoyl cyclopamine|KAAD-cyclopamine"	"CC1CN(CCNC(=O)CCCCCNC(=O)CCc2ccccc2)C2C(C1)OC1(C2C)CCC2C(=C1C)CC1C2CC=C2C1(C)CCC(=O)C2"	"WDHRPWOAMDJICD-UHFFFAOYSA-N"	"InChI=1S/C44H63N3O4/c1-29-25-39-42(47(28-29)24-23-46-40(49)13-9-6-10-22-45-41(50)17-14-32-11-7-5-8-12-32)31(3)44(51-39)21-19-35-36-16-15-33-26-34(48)18-20-43(33,4)38(36)27-37(35)30(44)2/h5,7-8,11-12,15,29,31,35-36,38-39,42H,6,9-10,13-14,16-28H2,1-4H3,(H,45,50)(H,46,49)"	""	""	""
"7899"	"cyclopenthiazide"	""	"Synthetic organic"	"yes"	""	""	""	"249565582"	"2904"	""	""	"CHEMBL1373254"	""	""	""	""	"6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide"	"cyclopenthiazide"	"cyclomethiazide|SU-8341"	"Clc1cc2NC(CC3CCCC3)NS(=O)(=O)c2cc1S(=O)(=O)N"	"BKYKPTRYDKTTJY-UHFFFAOYSA-N"	"InChI=1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19)"	""	""	""
"7153"	"cyclopentolate"	""	"Synthetic organic"	"yes"	""	""	""	"178103728"	"2905"	""	""	"CHEMBL1201338"	""	""	""	""	"2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate"	"cyclopentolate"	"Cyclogyl&reg;|Mydrilate&reg;"	"CN(CCOC(=O)C(C1(O)CCCC1)c1ccccc1)C"	"SKYSRIRYMSLOIN-UHFFFAOYSA-N"	"InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3"	""	""	""
"380"	"cyclopentyladenosine"	""	"Synthetic organic"	""	""	""	""	"135650148"	"657378"	""	""	"CHEMBL68738"	""	""	""	""	"(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	""	"CPA|N(6)-cyclopentyladenosine|N6-cyclopentyladenosine"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1"	"SQMWSBKSHWARHU-SDBHATRESA-N"	"InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1"	""	""	""
"7154"	"cyclophosphamide"	""	"Synthetic organic"	"yes"	""	""	""	"178103729"	"2907"	""	""	"CHEMBL88"	""	""	""	""	"N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine"	"cyclophosphamide"	"cytophosphane|Cytoxan&reg;|Endoxan&reg;"	"ClCCN(P1(=O)NCCCO1)CCCl"	"CMSMOCZEIVJLDB-UHFFFAOYSA-N"	"InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)"	""	""	""
"5350"	"cyclopiazonic acid"	""	"Natural product"	""	""	""	""	"178102012"	"54682463"	""	""	"CHEMBL480627"	""	""	""	""	"(2R,3S,9R)-5-acetyl-4-hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0^{2,9}.0^{3,7}.0^{15,18}]octadeca-1(17),4,11(18),12,14-pentaen-6-one"	""	"&alpha;-cyclopiazonic acid|NSC 117181"	"CC(=O)C1=C(O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C"	"SZINUGQCTHLQAZ-DQYPLSBCSA-N"	"InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17+/m1/s1"	""	""	""
"1191"	"cyclorelix"	""	"Peptide"	""	""	""	""	"135652073"	"0"	""	""	""	""	""	""	""	""	""	"D-23620"	""	""	""	""	""	""
"1024"	"cyclosporin A"	""	"Peptide"	"yes"	""	""	""	"135652074"	"5284373"	""	""	"CHEMBL160"	""	""	""	""	"(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone"	"ciclosporin"	"ciclosporin|cyclosporine|cyclosporine A|Ikervis&reg; (opthalmic solution)|Neoral&reg;|Sandimmun&reg;|Verkazia&reg; (opthalmic solution)"	"C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C"	"PMATZTZNYRCHOR-CGLBZJNRSA-N"	"InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1"	"yes"	""	""
"1025"	"cyclosporin H"	""	"Peptide"	""	""	""	""	"135652075"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10988"	"cyclothialidine"	""	"Natural product"	""	""	""	""	"405560429"	"443601"	""	""	"CHEMBL4286501"	""	""	""	""	"(2S)-2-[[(5S,8R)-5-[[(2S,3R)-1-(2-amino-3-hydroxypropanoyl)-3-hydroxypyrrolidine-2-carbonyl]amino]-13,15-dihydroxy-16-methyl-2,6-dioxo3-oxa-10-thia-7-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-8-carbonyl]amino]propanoic acid"	""	"Ro 09-1437"	"OCC(C(=O)N1CC[C@H]([C@H]1C(=O)N[C@H]1COC(=O)c2c(C)c(O)cc(c2CSC[C@H](NC1=O)C(=O)N[C@H](C(=O)O)C)O)O)N"	"HMHQWJDFNVJCHA-ZPGBQQFCSA-N"	"InChI=1S/C26H35N5O12S/c1-10-17(34)5-18(35)12-8-44-9-15(22(37)28-11(2)25(40)41)30-21(36)14(7-43-26(42)19(10)12)29-23(38)20-16(33)3-4-31(20)24(39)13(27)6-32/h5,11,13-16,20,32-35H,3-4,6-9,27H2,1-2H3,(H,28,37)(H,29,38)(H,30,36)(H,40,41)/t11-,13?,14-,15-,16+,20-/m0/s1"	""	""	"yes"
"4167"	"cyclothiazide"	""	"Synthetic organic"	"yes"	""	""	""	"178100987"	"2910"	""	""	"CHEMBL61593"	""	""	""	""	"3-{bicyclo[2.2.1]hept-5-en-2-yl}-6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide"	"cyclothiazide"	"Anhydron&reg;|Aquirel&reg;"	"Clc1cc2NC(NS(=O)(=O)c2cc1S(=O)(=O)N)C1CC2CC1C=C2"	"BOCUKUHCLICSIY-UHFFFAOYSA-N"	"InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)"	""	""	""
"13238"	"cyclotide kalata B1"	""	"Peptide"	""	""	""	""	"491300020"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6312"	"cyclourea apelin-12 (1-7)"	""	"Peptide"	""	""	""	""	"178102931"	"0"	""	""	""	""	""	""	""	""	""	"C3"	""	""	""	""	""	""
"12139"	"CYD0618"	""	"Synthetic organic"	""	""	""	""	"472319261"	"72734470"	""	""	"CHEMBL3919658"	""	""	""	""	""	""	"compound 28 [PMID: 27344488]|CYD-0618"	"[C@@H]12CC[C@@H]3[C@@H](O)[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@@]32c2c(CC(C)(C)[C@H]3[C@@H]1O)sc(NCC=C)n2"	"UAOUIVVJBYDFKD-XKCDOFEDSA-N"	"InChI=1S/C24H30N2O5S/c1-5-8-25-20-26-16-13(32-20)9-21(3,4)15-19(29)24(30)23-14(22(15,16)10-31-24)7-6-12(18(23)28)11(2)17(23)27/h5,12,14-15,18-19,28-30H,1-2,6-10H2,3-4H3,(H,25,26)/t12-,14-,15+,18+,19-,22-,23-,24-/m0/s1"	""	""	""
"8547"	"CYM2503"	""	"Synthetic organic"	""	""	""	""	"252166748"	"91827369"	""	""	""	""	""	""	""	"tert-butyl N-[(4S)-4-[(2S)-2-{[(9,9a-dihydro-4aH-fluoren-9-ylmethoxy)carbonyl]amino}-3-cyclohexylpropanamido]-4-[(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)carbamoyl]butyl]carbamate"	""	"CYM-2503"	"O=C(N[C@H](C(=O)N[C@H](C(=O)Nc1ccc2c(c1)[nH]c(=O)cc2C)CCCNC(=O)OC(C)(C)C)CC1CCCCC1)OCC1C2C=CC=CC2c2c1cccc2"	"DSRPDMJWEFCXMI-GHKFOJCISA-N"	"InChI=1S/C44H55N5O7/c1-27-23-39(50)47-37-25-29(20-21-30(27)37)46-40(51)36(19-12-22-45-42(53)56-44(2,3)4)48-41(52)38(24-28-13-6-5-7-14-28)49-43(54)55-26-35-33-17-10-8-15-31(33)32-16-9-11-18-34(32)35/h8-11,15-18,20-21,23,25,28,31,33,35-36,38H,5-7,12-14,19,22,24,26H2,1-4H3,(H,45,53)(H,46,51)(H,47,50)(H,48,52)(H,49,54)/t31?,33?,35?,36-,38-/m0/s1"	""	""	""
"10311"	"CYM-50308"	""	"Synthetic organic"	""	""	""	""	"381744992"	"49835928"	""	""	""	""	""	""	""	"(5Z)-5-[[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(2-methoxyethylimino)-3-methyl-1,3-thiazolidin-4-one"	""	"CYM 50308|CYM50308"	"COCCN=C1S/C(=C\c2cc(n(c2C)c2ccc(cc2F)F)C)/C(=O)N1C"	"BKQZKTRCUAWRHT-ONBPWHQPSA-N"	"InChI=1S/C20H21F2N3O2S/c1-12-9-14(13(2)25(12)17-6-5-15(21)11-16(17)22)10-18-19(26)24(3)20(28-18)23-7-8-27-4/h5-6,9-11H,7-8H2,1-4H3/b18-10-,23-20?"	""	""	""
"10312"	"CYM-50358"	""	"Synthetic organic"	""	""	""	""	"381744993"	"53358422"	""	""	""	""	""	""	""	"N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide"	""	"CYM 50358|CYM50358"	"NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl"	"QWJOPXDAQCDRRM-UHFFFAOYSA-N"	"InChI=1S/C20H18Cl2N2O2/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9H,10,23H2,1-2H3,(H,24,25)"	""	""	""
"2927"	"CYM5181"	""	"Synthetic organic"	""	""	""	""	"135650149"	"976135"	""	""	"CHEMBL1452805"	""	""	""	""	"4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine"	""	"CYM-5181"	"CCOc1cc(ccc1OCC)c1onc(n1)c1ccncc1"	"MMKXHTDCKLZHIM-UHFFFAOYSA-N"	"InChI=1S/C17H17N3O3/c1-3-21-14-6-5-13(11-15(14)22-4-2)17-19-16(20-23-17)12-7-9-18-10-8-12/h5-11H,3-4H2,1-2H3"	""	""	""
"2928"	"CYM5442"	""	"Synthetic organic"	""	""	""	""	"135650150"	"25110406"	""	""	""	""	""	""	""	"2-({4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl}amino)ethan-1-ol"	""	"CYM-5442"	"OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC"	"NUIKTBLZSPQGCP-UHFFFAOYSA-N"	"InChI=1S/C23H27N3O4/c1-3-28-20-11-8-15(14-21(20)29-4-2)23-25-22(26-30-23)18-7-5-6-17-16(18)9-10-19(17)24-12-13-27/h5-8,11,14,19,24,27H,3-4,9-10,12-13H2,1-2H3"	""	""	""
"13459"	"CYM-5478"	""	"Synthetic organic"	""	""	""	""	"500839869"	"7802604"	""	""	"CHEMBL1359777"	""	""	""	""	"1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one"	""	"CYM5478"	"CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C=C(C=CC3=O)C(F)(F)F"	"RGSGTUIDJXHTTO-UHFFFAOYSA-N"	"InChI=1S/C21H19F3N2O2/c1-14-10-18(15(2)26(14)11-16-6-4-3-5-7-16)19(27)13-25-12-17(21(22,23)24)8-9-20(25)28/h3-10,12H,11,13H2,1-2H3"	""	""	""
"11312"	"CYM5520"	""	"Synthetic organic"	""	""	""	""	"434321747"	"25110470"	""	""	""	""	""	""	""	""	""	"CYM-5520"	"N#Cc1ccc(=O)n(c1)CC(=O)c1cc(n(c1C)Cc1ccccc1)C"	"FMYGNANMYYHBSU-UHFFFAOYSA-N"	"InChI=1S/C21H19N3O2/c1-15-10-19(16(2)24(15)13-17-6-4-3-5-7-17)20(25)14-23-12-18(11-22)8-9-21(23)26/h3-10,12H,13-14H2,1-2H3"	""	""	""
"9494"	"CYM-5541"	""	"Synthetic organic"	""	""	""	""	"329968434"	"17253208"	""	""	"CHEMBL1970071"	""	""	""	""	"N,N-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide"	""	"CYM5541|ML249"	"O=C(N(C1CCCCC1)C1CCCCC1)c1noc(c1)C1CC1"	"NDKGACIWVAOUQH-UHFFFAOYSA-N"	"InChI=1S/C19H28N2O2/c22-19(17-13-18(23-20-17)14-11-12-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h13-16H,1-12H2"	""	""	""
"12660"	"CYP3A4 fluorescent probe 4-OH F8"	""	"Synthetic organic"	""	""	""	""	"483123208"	"168433293"	""	""	""	""	""	""	""	""	""	""	"OC1=CC=C2C(=O)N(CC3=CC=C(F)C=C3)C(=O)C4=CC=CC1=C24"	"INJWXOZQRYGGMO-UHFFFAOYSA-N"	"InChI=1S/C19H12FNO3/c20-12-6-4-11(5-7-12)10-21-18(23)14-3-1-2-13-16(22)9-8-15(17(13)14)19(21)24/h1-9,22H,10H2"	""	""	""
"12659"	"CYP3A4 fluorogenic substrate F8"	""	"Synthetic organic"	""	""	""	""	"483123207"	"10614509"	""	""	"CHEMBL3408793"	""	""	""	""	"2-[(4-fluorophenyl)methyl]benzo[de]isoquinoline-1,3-dione"	""	"compound F8 [PMID: 37145039]"	"FC1=CC=C(CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C=C1"	"JVHUQBLLHSIOMR-UHFFFAOYSA-N"	"InChI=1S/C19H12FNO2/c20-14-9-7-12(8-10-14)11-21-18(22)15-5-1-3-13-4-2-6-16(17(13)15)19(21)23/h1-10H,11H2"	""	""	""
"2323"	"CyPPA"	""	"Synthetic organic"	""	""	""	""	"135650151"	"909822"	""	""	"CHEMBL453730"	""	""	""	""	"N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine"	""	""	"Cc1cc(NC2CCCCC2)nc(n1)n1nc(cc1C)C"	"USEMRPYUFJNFQN-UHFFFAOYSA-N"	"InChI=1S/C16H23N5/c1-11-10-15(18-14-7-5-4-6-8-14)19-16(17-11)21-13(3)9-12(2)20-21/h9-10,14H,4-8H2,1-3H3,(H,17,18,19)"	""	""	""
"6257"	"cyPPTS"	""	"Synthetic organic"	""	""	""	""	"178102877"	"44335556"	""	""	"CHEMBL321968"	""	""	""	""	"N-[3-(cyclopentyloxy)phenyl]-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethane-1-sulfonamide"	""	""	"FC(CS(=O)(=O)N(c1cccc(c1)OC1CCCC1)Cc1cccnc1)(F)F"	"WCYYNLFGFUQJMF-UHFFFAOYSA-N"	"InChI=1S/C19H21F3N2O3S/c20-19(21,22)14-28(25,26)24(13-15-5-4-10-23-12-15)16-6-3-9-18(11-16)27-17-7-1-2-8-17/h3-6,9-12,17H,1-2,7-8,13-14H2"	""	""	""
"277"	"cyproheptadine"	""	"Synthetic organic"	"yes"	""	""	""	"135650152"	"2913"	""	""	"CHEMBL516"	""	""	""	""	"1-methyl-4-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene}piperidine"	"cyproheptadine"	"cyproheptidine|Periactin&reg;|Peritol&reg;"	"CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1"	"JJCFRYNCJDLXIK-UHFFFAOYSA-N"	"InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3"	""	""	""
"2865"	"cyproterone acetate"	""	"Synthetic organic"	"yes"	""	""	""	"135650153"	"9880"	""	""	"CHEMBL139835"	""	""	""	""	"(1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate"	""	"Androcur&reg;|Cyprostat&reg|SH-714"	"CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C"	"UWFYSQMTEOIJJG-FDTZYFLXSA-N"	"InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1"	""	""	""
"698"	"[Cys(ACM)<sup>2,7</sup>]CGRP"	""	"Peptide"	""	""	""	""	"135652076"	"0"	""	""	""	""	""	""	""	""	""	"[Cys(ACM)<sup>2,7</sup>]-calcitonin gene-related peptide|Cys(Acm)<sup>2,7</sup>-h-&alpha;CGRP"	""	""	""	""	""	""
"693"	"[Cys(Et)2,7]&alpha;-CGRP (human)"	""	"Peptide"	""	""	""	""	"135652077"	"0"	""	""	""	""	""	""	""	""	""	"[cys(Et)2,7]&alpha;-calcitonin gene-related peptide (human)"	""	""	""	""	""	""
"5173"	"cystathionine"	""	"Metabolite"	""	""	""	""	"178101863"	"439258"	""	""	""	""	""	""	""	"(2S)-2-amino-4-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanoic acid"	""	"L-cystathionine"	"N[C@H](C(=O)O)CCSC[C@@H](C(=O)O)N"	"ILRYLPWNYFXEMH-WHFBIAKZSA-N"	"InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1"	""	""	""
"4827"	"cytarabine"	""	"Synthetic organic"	"yes"	""	""	""	"178101529"	"6253"	""	""	"CHEMBL803"	""	""	""	""	"4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one"	"cytarabine"	"Cytosar&reg;|DepoCyte&reg;|U-19920"	"OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N"	"UHDGCWIWMRVCDJ-CCXZUQQUSA-N"	"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1"	""	""	""
"4728"	"cytidine"	""	"Metabolite"	""	""	""	""	"178101439"	"6175"	""	""	"CHEMBL95606"	""	""	""	""	"4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one"	""	""	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N"	"UHDGCWIWMRVCDJ-XVFCMESISA-N"	"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1"	""	""	""
"5347"	"cytisine"	""	"Natural product"	""	""	""	""	"178102009"	"10235"	""	""	"CHEMBL497939"	""	""	""	""	"(1R,9S)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one"	"cytisinicline"	"baptitoxine|cytisin|cytisinicline|sophorine"	"O=c1cccc2n1C[C@@H]1CNC[C@H]2C1"	"ANJTVLIZGCUXLD-DTWKUNHWSA-N"	"InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1"	""	""	""
"5334"	"cytochalasin B"	""	"Natural product"	""	""	""	""	"178101998"	"5311281"	""	""	"CHEMBL411729"	""	""	""	""	""	""	"phomin"	"C[C@@H]1CCC[C@@H](O)/C=C/C(=O)O[C@@]23[C@@H](/C=C/C1)[C@H](O)C(=C)[C@H]([C@H]3[C@@H](NC2=O)Cc1ccccc1)C"	"GBOGMAARMMDZGR-TYHYBEHESA-N"	"InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1"	""	""	""
"3729"	"cytokine domain of tyrosyl tRNA synthetase"	"Human"	"Peptide"	""	""	""	""	"178100600"	"0"	"P54577"	"ENSG00000134684"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4904"	"cytokine receptor-like factor 1"	"Human"	"Peptide"	""	""	""	""	"178101603"	"0"	"O75462"	"ENSG00000006016"	""	""	""	""	""	""	""	"CRLF1|NR6"	""	""	""	""	""	""
"8490"	"cytosine"	""	"Metabolite"	""	""	""	""	"252166698"	"597"	""	""	"ChEMBL15913"	""	""	""	""	"4-amino-3H-pyrimidin-2-one"	""	""	"Nc1ccnc(=O)[nH]1"	"OPTASPLRGRRNAP-UHFFFAOYSA-N"	"InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)"	""	""	""
"5424"	"cytosporone B"	""	"Synthetic organic"	""	""	""	""	"178102077"	"10687292"	""	""	"CHEMBL1221517"	""	""	""	""	"ethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetate"	""	"dothiorelone G"	"CCCCCCCC(=O)c1c(O)cc(cc1CC(=O)OCC)O"	"UVVWQQKSNZLUQA-UHFFFAOYSA-N"	"InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3"	""	""	""
"9837"	"CZ415"	""	"Synthetic organic"	""	""	""	""	"363894131"	"78107195"	""	""	""	""	""	""	""	"1-[4-[7,7-dimethyl-4-(3-methylmorpholin-4-yl)-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea"	""	"compound 3 [PMID: 27563401]|CZ-415"	"CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CS(=O)(=O)C3(C)C)C(=N2)N4CCOCC4C"	"IZLPVLBNRGPOHA-UHFFFAOYSA-N"	"InChI=1S/C22H29N5O4S/c1-5-23-21(28)24-16-8-6-15(7-9-16)19-25-18-17(13-32(29,30)22(18,3)4)20(26-19)27-10-11-31-12-14(27)2/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,28)"	"yes"	""	""
"6653"	"CZC 24832"	""	"Synthetic organic"	""	""	""	""	"178103265"	"42623951"	""	""	"CHEMBL2064571"	""	""	""	""	"5-{2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl}-N-tert-butylpyridine-3-sulfonamide"	""	"CZC-24832|CZC24832"	"Nc1nn2c(n1)c(F)cc(c2)c1cncc(c1)S(=O)(=O)NC(C)(C)C"	"RXRZPHQBTHQXSV-UHFFFAOYSA-N"	"InChI=1S/C15H17FN6O2S/c1-15(2,3)21-25(23,24)11-4-9(6-18-7-11)10-5-12(16)13-19-14(17)20-22(13)8-10/h4-8,21H,1-3H3,(H2,17,20)"	""	""	""
"12396"	"CZS-241"	""	"Synthetic organic"	""	""	""	""	"479821187"	"167312396"	""	""	""	""	""	""	""	"2-Chloro-N-(2,5-difluorophenyl)-5-(((1-isopropyl-4-((5-methyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)methyl)benzamide"	""	"compound B43 [PMID: 36734825]|CZS241"	"Cc1cc(Nc2c3c(n(C(C)C)nc3)nc(NCc3cc(C(=O)Nc4cc(F)ccc4F)c(Cl)cc3)n2)n[nH]1"	"WIOVOFCYNTYNJH-UHFFFAOYSA-N"	"InChI=1S/C26H24ClF2N9O/c1-13(2)38-24-18(12-31-38)23(33-22-8-14(3)36-37-22)34-26(35-24)30-11-15-4-6-19(27)17(9-15)25(39)32-21-10-16(28)5-7-20(21)29/h4-10,12-13H,11H2,1-3H3,(H,32,39)(H3,30,33,34,35,36,37)"	""	""	""
"14442"	"D13-9001"	""	"Synthetic organic"	""	""	""	""	"528429763"	"17757337"	""	""	"CHEMBL394052"	""	""	""	""	"2-[2-[[(3R)-1-[8-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-oxo-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]pyrido[1,2-a]pyrimidin-2-yl]piperidin-3-yl]oxycarbonylamino]ethyl-dimethylazaniumyl]acetate"	""	"ABI-PP"	"CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC3=NC(=C(C(=O)N3C=C2)/C=C/C4=NNN=N4)N5CCC[C@H](C5)OC(=O)NCC[N+](C)(C)CC(=O)[O-]"	"RVJNIKFVEAWLQC-HXUWFJFHSA-N"	"InChI=1S/C31H39N11O6S/c1-31(2,3)22-18-49-29(33-22)35-27(45)19-10-13-41-24(15-19)34-26(21(28(41)46)8-9-23-36-38-39-37-23)40-12-6-7-20(16-40)48-30(47)32-11-14-42(4,5)17-25(43)44/h8-10,13,15,18,20H,6-7,11-12,14,16-17H2,1-5H3,(H3-,32,33,35,36,37,38,39,43,44,45,47)/t20-/m1/s1"	""	""	"yes"
"13660"	"D1SP"	""	"Peptide"	""	""	""	""	"507750294"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1180"	"D-23487"	""	"Peptide"	""	""	""	""	"135652078"	"0"	""	""	""	""	""	""	""	""	""	"D 23487"	""	""	""	""	""	""
"1181"	"D-24710"	""	"Peptide"	""	""	""	""	"135652079"	"0"	""	""	""	""	""	""	""	""	""	"D 24710"	""	""	""	""	""	""
"5940"	"D4476"	""	"Synthetic organic"	""	""	""	""	"178102563"	"6419753"	""	""	"CHEMBL410456"	""	""	""	""	"4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide"	""	"casein kinase I inhibitor|CK1 inhibitor|D 4476"	"NC(=O)c1ccc(cc1)c1nc(c([nH]1)c1ccccn1)c1ccc2c(c1)OCCO2"	"DPDZHVCKYBCJHW-UHFFFAOYSA-N"	"InChI=1S/C23H18N4O3/c24-22(28)14-4-6-15(7-5-14)23-26-20(21(27-23)17-3-1-2-10-25-17)16-8-9-18-19(13-16)30-12-11-29-18/h1-10,13H,11-12H2,(H2,24,28)(H,26,27)"	"yes"	""	""
"12213"	"D5261"	""	"Synthetic organic"	""	""	""	""	"472319333"	"53187671"	""	""	""	""	""	""	""	"N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide"	""	"D-5261"	"Cc1c(cc(cc1)C(=O)Nc1ccc(nc1)N1CCN(C2CCCC2)C1=O)N1CCCC1=O"	"OXVLBJMDGNVORY-UHFFFAOYSA-N"	"InChI=1S/C25H29N5O3/c1-17-8-9-18(15-21(17)29-12-4-7-23(29)31)24(32)27-19-10-11-22(26-16-19)30-14-13-28(25(30)33)20-5-2-3-6-20/h8-11,15-16,20H,2-7,12-14H2,1H3,(H,27,32)"	""	""	""
"13572"	"D6-3"	""	"Synthetic organic"	""	""	""	""	"504705391"	"172431608"	""	""	""	""	""	""	""	"N-((S)-1-(((S)-4-Chloro-3-oxo-1-phenylbutan-2-yl)amino)-3-(4-fluorophenyl)-1-oxopropan-2-yl)-1-naphthamide"	""	""	"ClCC([C@H](CC1=CC=CC=C1)NC([C@H](CC2=CC=C(C=C2)F)NC(=O)C3=CC=CC4=CC=CC=C34)=O)=O"	"FUEYCNUHTBZPRF-SVBPBHIXSA-N"	"InChI=1S/C30H26ClFN2O3/c31-19-28(35)26(17-20-7-2-1-3-8-20)33-30(37)27(18-21-13-15-23(32)16-14-21)34-29(36)25-12-6-10-22-9-4-5-11-24(22)25/h1-16,26-27H,17-19H2,(H,33,37)(H,34,36)/t26-,27-/m0/s1"	""	""	""
"12248"	"D6808"	""	"Synthetic organic"	""	""	""	""	"473153836"	"165437862"	""	""	""	""	""	""	""	""	""	"compound 14 [PMID: 36355693]|D-6808"	"O=c1n2CCc3cc4cc(c5cn(CCCCNC(=O)c6c(cc(c(n2)cc1)cc6)C(F)(F)F)nc5)cnc4cc3"	"PQNIGFMNUHDZKX-UHFFFAOYSA-N"	"InChI=1S/C30H25F3N6O2/c31-30(32,33)25-15-20-4-5-24(25)29(41)34-10-1-2-11-38-18-23(17-36-38)22-14-21-13-19(3-6-26(21)35-16-22)9-12-39-28(40)8-7-27(20)37-39/h3-8,13-18H,1-2,9-12H2,(H,34,41)"	""	""	""
"13870"	"DA-302168S"	""	"Synthetic organic"	""	""	""	""	"513757555"	"172991785"	""	""	""	""	""	""	""	"(S)-2-(4-(6-((4-Chlorobenzofuran-7-yl)methoxy)-5-fluoropyridin-2-yl)-2-fluorobenzyl)-1-(oxetan-2-ylmethyl)-1H-benzo[d]imidazole-6-carboxylic Acid"	""	"compound 29 [PMID: 40257122]"	"O=C(O)C1=CC=2N(C[C@@H]3CCO3)C(=NC2C=C1)CC4=C(F)C=C(C=C4)C5=NC(OCC6=CC=C(Cl)C7=C6OC=C7)=C(F)C=C5"	"ZWQNIWWZDWNMQA-QFIPXVFZSA-N"	"InChI=1S/C33H24ClF2N3O5/c34-24-5-3-21(31-23(24)10-12-43-31)17-44-32-25(35)6-8-27(38-32)19-2-1-18(26(36)13-19)15-30-37-28-7-4-20(33(40)41)14-29(28)39(30)16-22-9-11-42-22/h1-8,10,12-14,22H,9,11,15-17H2,(H,40,41)/t22-/m0/s1"	""	""	""
"2577"	"DABCO"	""	"Synthetic organic"	""	""	""	""	"135650154"	"9237"	""	""	"CHEMBL3183414"	""	""	""	""	"1,4-diazabicyclo[2.2.2]octane"	""	""	"C1CN2CCN1CC2"	"IMNIMPAHZVJRPE-UHFFFAOYSA-N"	"InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2"	""	""	""
"2572"	"DABCO-C<sub>16</sub>"	""	"Synthetic organic"	""	""	""	""	"135650155"	"11611423"	""	""	""	""	""	""	""	"1-hexadecyl-4-aza-1-azoniabicyclo[2.2.2]octane"	""	"C<sub>16</sub>-1,4-Diazabicyclo[2.2.2]octane|TA279"	"CCCCCCCCCCCCCCCC[N+]12CCN(CC1)CC2"	"YPKLQHHICPWJRD-UHFFFAOYSA-N"	"InChI=1S/C22H45N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-20-16-23(17-21-24)18-22-24/h2-22H2,1H3/q+1"	""	""	""
"6380"	"dabigatran"	""	"Synthetic organic"	""	""	""	""	"178102998"	"216210"	""	""	"CHEMBL48361"	""	""	""	""	"3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid"	"dabigatran"	""	"OC(=O)CCN(C(=O)c1ccc2c(c1)nc(n2C)CNc1ccc(cc1)C(=N)N)c1ccccn1"	"YBSJFWOBGCMAKL-UHFFFAOYSA-N"	"InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)"	""	""	""
"6379"	"dabigatran etexilate"	""	"Synthetic organic"	"yes"	""	""	""	"178102997"	"135565674"	""	""	"CHEMBL539697"	""	""	""	""	"ethyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate"	"dabigatran etexilate"	"BIBR 1048|Pradaxa&reg;"	"CCCCCCOC(=O)/N=C(/c1ccc(cc1)NCc1nc2c(n1C)ccc(c2)C(=O)N(c1ccccn1)CCC(=O)OCC)\N"	"KSGXQBZTULBEEQ-UHFFFAOYSA-N"	"InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)"	""	""	""
"13809"	"dabogratinib"	""	"Synthetic organic"	""	""	""	""	"507750442"	"170647464"	""	""	""	""	""	""	""	"5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)pyridin-3-yl]-1H-indazole"	"dabogratinib"	"compound 22 [PMID: 39258897]|TYRA-300|TYRA300"	"C[C@H](C1=C(C=NC=C1Cl)Cl)OC2=CC3=C(C=C2)NN=C3C4=CN=C(C=C4)N5CC6(C5)CN(C6)S(=O)(=O)C"	"JOAFWIHZEBKYQK-OAHLLOKOSA-N"	"InChI=1S/C25H24Cl2N6O3S/c1-15(23-19(26)9-28-10-20(23)27)36-17-4-5-21-18(7-17)24(31-30-21)16-3-6-22(29-8-16)32-11-25(12-32)13-33(14-25)37(2,34)35/h3-10,15H,11-14H2,1-2H3,(H,30,31)/t15-/m1/s1"	""	""	""
"6494"	"dabrafenib"	""	"Synthetic organic"	"yes"	""	""	""	"178103108"	"44462760"	""	""	"CHEMBL2028663"	""	""	""	""	"N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide"	"dabrafenib"	"GSK2118436|GSK2118436A|Tafinlar&reg;"	"Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C"	"BFSMGDJOXZAERB-UHFFFAOYSA-N"	"InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)"	""	""	""
"3469"	"dabuzalgron"	""	"Synthetic organic"	""	""	""	""	"178100463"	"216249"	""	""	"CHEMBL257978"	""	""	""	""	"N-[6-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-methylphenyl]methanesulfonamide"	"dabuzalgron"	"R 450|Ro-115-1240|Ro-1151240190"	"Clc1ccc(c(c1NS(=O)(=O)C)C)OCC1=NCCN1"	"FOYWMEJSRSBQGB-UHFFFAOYSA-N"	"InChI=1S/C12H16ClN3O3S/c1-8-10(19-7-11-14-5-6-15-11)4-3-9(13)12(8)16-20(2,17)18/h3-4,16H,5-7H2,1-2H3,(H,14,15)"	""	""	""
"9075"	"dacarbazine"	""	"Synthetic organic"	"yes"	""	""	""	"315661160"	"2942"	""	""	"CHEMBL1574179"	""	""	""	""	""	"dacarbazine"	"DTIC-Dome&reg;"	"CN(N=Nc1[nH]cnc1C(=O)N)C"	"FDKXTQMXEQVLRF-UHFFFAOYSA-N"	"InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)"	""	""	""
"7497"	"dacinostat"	""	"Synthetic organic"	""	""	""	""	"187051799"	"6445533"	""	""	"CHEMBL356066"	""	""	""	""	"(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide"	"dacinostat"	"LAQ-824|NVP-LAQ824"	"OCCN(Cc1ccc(cc1)/C=C/C(=O)NO)CCc1c[nH]c2c1cccc2"	"BWDQBBCUWLSASG-MDZDMXLPSA-N"	"InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+"	""	""	""
"11266"	"daclatasvir"	""	"Synthetic organic"	"yes"	"yes"	""	""	"434321701"	"25154714"	""	""	"CHEMBL2023898"	""	""	""	""	"methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate"	"daclatasvir"	"BMS-790052|BMS790052|Daklinza&reg;"	"COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)c1ccc(cc1)c1ccc(cc1)c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)C(C)C"	"FKRSSPOQAMALKA-CUPIEXAXSA-N"	"InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1"	""	""	""
"6880"	"daclizumab"	""	"Antibody"	"yes"	"yes"	""	""	"178103462"	"0"	""	""	""	""	""	""	""	""	"daclizumab"	"L04AC01|RO-24-7375|Ro-247375|Zenapax&reg;"	""	""	""	"yes"	""	""
"7422"	"dacomitinib"	""	"Synthetic organic"	"yes"	""	""	""	"178103994"	"11511120"	""	""	"CHEMBL2110732"	""	""	""	""	"(E)-N-[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide"	"dacomitinib"	"PF-00299804|PF00299804|Vizimpro&reg;"	"COc1cc2ncnc(c2cc1NC(=O)/C=C/CN1CCCCC1)Nc1ccc(c(c1)Cl)F"	"LVXJQMNHJWSHET-AATRIKPKSA-N"	"InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+"	""	""	""
"11001"	"dactimicin"	""	"Natural product"	""	""	""	""	"405560442"	"46174021"	""	""	""	""	""	""	""	"N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide"	""	"Formimidoyl-fortimicin A|SF-2052|SF2052"	"CO[C@H]1[C@@H](O)[C@H](N)[C@H]([C@@H]([C@@H]1N(C(=O)CN=CN)C)O)O[C@H]1O[C@@H](CC[C@H]1N)[C@@H](N)C"	"VFBPKQSATYZKRX-WKEGKRRDSA-N"	"InChI=1S/C18H36N6O6/c1-8(20)10-5-4-9(21)18(29-10)30-16-12(22)14(26)17(28-3)13(15(16)27)24(2)11(25)6-23-7-19/h7-10,12-18,26-27H,4-6,20-22H2,1-3H3,(H2,19,23)/t8-,9+,10-,12-,13-,14-,15+,16+,17+,18+/m0/s1"	""	""	"yes"
"7950"	"dactolisib"	""	"Synthetic organic"	""	""	""	""	"249565633"	"11977753"	""	""	"CHEMBL1879463"	""	""	""	""	"2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile"	"dactolisib"	"BEZ235|NVP-BEZ235|RTB-101|RTB101"	"N#CC(c1ccc(cc1)n1c(=O)n(c2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2)C)(C)C"	"JOGKUKXHTYWRGZ-UHFFFAOYSA-N"	"InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3"	""	""	""
"1607"	"DADLE"	""	"Peptide"	""	""	""	""	"135650156"	"6917707"	""	""	"CHEMBL340032"	""	""	""	""	"(2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid"	""	"[D-Ala<sup>2</sup>, D-Leu<sup>5</sup>]-enkephalin|DADL|leucine enkephalin-2-alanine"	"Oc1ccc(cc1)C[C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(C)C)Cc1ccccc1)C)N"	"ZHUJMSMQIPIPTF-IBURTVSXSA-N"	"InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1"	""	""	""
"6506"	"daglutril"	""	"Synthetic organic"	""	""	""	""	"178103120"	"3038505"	""	""	""	""	""	""	""	"2-[(3S)-3-[[1-[(2R)-2-ethoxycarbonyl-4-phenylbutyl]cyclopentanecarbonyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid"	"daglutril"	"SLV 306|SLV-306|SLV306"	"CCOC(=O)[C@@H](CC1(CCCC1)C(=O)N[C@H]1CCc2c(N(C1=O)CC(=O)O)cccc2)CCc1ccccc1"	"XMQODGUTLZXUGZ-RPBOFIJWSA-N"	"InChI=1S/C31H38N2O6/c1-2-39-29(37)24(15-14-22-10-4-3-5-11-22)20-31(18-8-9-19-31)30(38)32-25-17-16-23-12-6-7-13-26(23)33(28(25)36)21-27(34)35/h3-7,10-13,24-25H,2,8-9,14-21H2,1H3,(H,32,38)(H,34,35)/t24-,25+/m1/s1"	""	""	""
"9650"	"dagrocorat"	""	"Synthetic organic"	""	""	""	""	"340590280"	"24873449"	""	""	"CHEMBL3137304"	""	""	""	""	"(4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide"	"dagrocorat"	"PF-00251802"	"O=C(c1ccc2c(c1)CC[C@H]1[C@]2(CC[C@](C1)(O)C(F)(F)F)Cc1ccccc1)Nc1cccnc1C"	"QJJBNCHSWFGXML-KEKPKEOLSA-N"	"InChI=1S/C29H29F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1"	"yes"	""	""
"2828"	"daidzein"	""	"Natural product"	""	""	""	""	"135649858"	"5281708"	""	""	"CHEMBL8145"	""	""	""	""	"7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one"	""	"7,4'-dihydroxyisoflavone"	"Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O"	"ZQSIJRDFPHDXIC-UHFFFAOYSA-N"	"InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H"	""	""	""
"5421"	"D-Ala-Lys-AMCA"	""	"Peptide"	""	""	"yes"	""	"178102074"	"0"	""	""	""	""	""	""	""	""	""	"(D)-Ala-(L)-Lys-N<sub>&epsilon;</sub>-AMCA|D-Ala-Lys-N(epsilon)-7-amino-4-methylcoumarin-3-acetic acid"	""	""	""	""	""	""
"4678"	"D-alanine"	""	"Metabolite"	""	""	""	""	"178101392"	"71080"	""	""	"CHEMBL66693"	""	""	""	""	"(2R)-2-aminopropanoic acid"	""	"D-Ala"	"C[C@H](C(=O)O)N"	"QNAYBMKLOCPYGJ-UWTATZPHSA-N"	"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1"	""	""	""
"6179"	"(D-Ala<sup>11</sup>]bombesin"	""	"Peptide"	""	""	""	""	"178102800"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3838"	"[D-Ala<sup>2</sup>]deltorphin I"	""	"Peptide"	""	""	""	""	"178100681"	"0"	"P21850"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4060"	"[D-Ala<sup>2</sup>]deltorphin II"	""	"Peptide"	""	""	""	""	"178100884"	"0"	"P21850"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1657"	"[D-Ala<sup>2</sup>,F<sub>5</sub>,Phe<sup>4</sup>]dynorphin-(1-13)-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"135652080"	"0"	""	""	""	""	""	""	""	""	""	"[D-Ala<sup>2</sup>,F<sub>5</sub>,Phe<sup>4</sup>]-dynorphin 1-13-NH<sub>2</sub>"	""	""	""	""	""	""
"1658"	"[D-Ala<sup>2</sup>,F<sub>5</sub>,Phe<sup>4</sup>]dynorphin-(1-17)-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"135652081"	"0"	""	""	""	""	""	""	""	""	""	"[D-Ala<sup>2</sup>,F<sub>5</sub>,Phe<sup>4</sup>]-dynorphin 1-17-NH<sub>2</sub>"	""	""	""	""	""	""
"6081"	"[D-Ala<sup>7</sup>]-angiotensin(1-7)"	""	"Peptide"	""	""	""	""	"178102702"	"0"	""	""	""	""	""	""	""	""	""	"A-779|A779"	""	""	""	""	""	""
"10876"	"dalbavancin"	""	"Synthetic organic"	"yes"	""	""	""	"405560317"	"23724878"	""	""	""	""	""	""	""	""	"dalbavancin"	"BI-397|BI397|Dalvance&reg;|Xydalba&reg;"	"OC[C@H]1O[C@H](Oc2cc(O)cc3c2c2cc(ccc2O)[C@H]2NC(=O)[C@@H]4NC(=O)[C@H]5NC(=O)[C@@H](Cc6ccc(Oc7cc4cc(Oc4ccc([C@H]([C@@H](C(=O)NC3C(=O)NCCCN(C)C)NC2=O)O)cc4Cl)c7O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2NC(=O)CCCCCCCCC(C)C)O)O)cc6)NC(=O)[C@H](NC)c2cc(Oc3cc5c(Cl)c(c3)O)c(O)cc2)[C@H]([C@H]([C@@H]1O)O)O"	"KGPGQDLTDHGEGT-VBZOGQDBSA-N"	"InChI=1S/C88H100Cl2N10O28/c1-38(2)13-10-8-6-7-9-11-14-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)69-85(119)98-67(80(114)92-25-12-26-100(4)5)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)64(91-3)81(115)93-51(79(113)97-68)27-39-15-20-45(122-58)21-16-39/h15-24,28-36,38,51,60,64-76,78,87-88,91,101-105,107-112H,6-14,25-27,37H2,1-5H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121)/t51-,60-,64-,65-,66-,67?,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+/m1/s1"	""	""	"yes"
"12972"	"dalcetrapib"	""	"Synthetic organic"	""	""	""	""	"485206093"	"6918540"	""	""	"CHEMBL313006"	""	""	""	""	"S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate"	"dalcetrapib"	"JTT-705|JTT705|RO-4607381|RO4607381"	"CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(C)C"	"YZQLWPMZQVHJED-UHFFFAOYSA-N"	"InChI=1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26)"	""	""	""
"10797"	"dalfopristin"	""	"Synthetic organic"	"yes"	""	""	""	"405560238"	"6323289"	""	""	""	""	""	""	""	"(6R,7S,10R,11R,12E,17E,19E,21S)-6-[2-(diethylamino)ethylsulfonyl]-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone"	"dalfopristin"	"RP-54476|RP54476|Synercid&reg; (dalfopristin + quinupristin)"	"CCN(CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc1nc(C2=O)co1)O)/C)CC"	"SUYRLXYYZQTJHF-VMBLUXKRSA-N"	"InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24-,25-,28-,31-,32-/m1/s1"	""	""	"yes"
"12088"	"dalmelitinib"	""	"Synthetic organic"	""	""	""	""	"472319210"	"86302574"	""	""	""	""	""	""	""	"9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one"	"dalmelitinib"	"compound 4d [PMID: 27288183]"	"Fc1c2n(cc(c1)c1cnn(c1)C)c(nn2)Sc1cc2c3c(cnc2cc1)N(C(=O)CO3)C"	"MFEXYTURXUZOID-UHFFFAOYSA-N"	"InChI=1S/C22H16FN7O2S/c1-28-9-13(7-25-28)12-5-16(23)21-26-27-22(30(21)10-12)33-14-3-4-17-15(6-14)20-18(8-24-17)29(2)19(31)11-32-20/h3-10H,11H2,1-2H3"	""	""	""
"11188"	"dalosirvat"	""	"Synthetic organic"	""	""	""	""	"434122248"	"56837361"	""	""	""	""	""	""	""	"1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione"	""	"compound 1 [WO2012024404A1]"	"O=C(c1ccc2c(c1)OCCO2)CCC(=O)c1ccccc1"	"AOCDRSSVFUCURK-UHFFFAOYSA-N"	"InChI=1S/C18H16O4/c19-15(13-4-2-1-3-5-13)7-8-16(20)14-6-9-17-18(12-14)22-11-10-21-17/h1-6,9,12H,7-8,10-11H2"	""	""	""
"11189"	"dalpiciclib"	""	"Synthetic organic"	"yes"	""	""	""	"434122249"	"86279927"	""	""	""	""	""	""	""	"6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-4-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one"	"dalpiciclib"	"Example 1 [WO2014183520A1]|SHR-6390|SHR6390"	"CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)C1CCNCC1"	"SGJLSPUSUBJWHO-UHFFFAOYSA-N"	"InChI=1S/C25H30N6O2/c1-15-20-14-28-25(29-21-8-7-18(13-27-21)17-9-11-26-12-10-17)30-23(20)31(19-5-3-4-6-19)24(33)22(15)16(2)32/h7-8,13-14,17,19,26H,3-6,9-12H2,1-2H3,(H,27,28,29,30)"	""	""	""
"6803"	"dalteparin"	""	"Synthetic organic"	"yes"	""	""	""	"178103409"	"0"	""	""	"CHEMBL1201460"	""	""	""	""	""	"dalteparin sodium"	"dalteparin sodium|Fragmin&reg;"	""	""	""	""	""	""
"1986"	"daltroban"	""	"Synthetic organic"	""	""	""	""	"135650157"	"54343"	""	""	"CHEMBL71685"	""	""	""	""	"2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]acetic acid"	"daltroban"	"BM-13505|daltrobanum|SK&F 96148|SKF 96148"	"OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl"	"IULOBWFWYDMECP-UHFFFAOYSA-N"	"InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)"	""	""	""
"11776"	"dalutrafusp alfa"	""	"Antibody"	""	""	""	""	"458923811"	"0"	""	""	""	""	""	""	""	""	"dalutrafusp alfa"	"AGEN-1423|AGEN1423|GS-1423"	""	""	""	""	""	""
"3036"	"dalvastatin"	""	"Synthetic organic"	""	""	""	""	"178100252"	"6436002"	""	""	""	""	""	""	""	"(4S,6R)-6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexenyl]ethenyl]-4-hydroxyoxan-2-one"	"dalvastatin"	"RG 12561"	"O[C@@H]1CC(=O)O[C@H](C1)/C=C/C1=C(CC(CC1(C)C)(C)C)c1ccc(c(c1)C)F"	"VDSBXXDKCUBMQC-VUOWKATKSA-N"	"InChI=1S/C24H31FO3/c1-15-10-16(6-9-21(15)25)19-13-23(2,3)14-24(4,5)20(19)8-7-18-11-17(26)12-22(27)28-18/h6-10,17-18,26H,11-14H2,1-5H3/b8-7+/t17-,18-/m0/s1"	""	""	""
"1647"	"DAMGO"	""	"Peptide"	""	""	""	""	"135650158"	"5462471"	""	""	"CHEMBL38874"	""	""	""	""	"(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]-methylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide"	""	"2-Ala-4-mephe-5-gly-enkephalin|DAGO|glyol"	"OCCNC(=O)[C@@H](N(C(=O)CNC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C)C)Cc1ccccc1"	"HPZJMUBDEAMBFI-WTNAPCKOSA-N"	"InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1"	""	""	""
"7025"	"daminozide"	""	"Synthetic organic"	""	""	""	""	"178103604"	"15331"	""	""	"CHEMBL2164243"	""	""	""	""	"3-(N',N'-dimethylhydrazinecarbonyl)propanoic acid"	""	"B 995|DMASA|SADH"	"CN(NC(=O)CCC(=O)O)C"	"NOQGZXFMHARMLW-UHFFFAOYSA-N"	"InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)"	""	""	""
"12451"	"D-(-)-Amygdalin"	""	"Natural product"	""	""	""	""	"479821241"	"2180"	""	""	"CHEMBL1967951"	""	""	""	""	"2-phenyl-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile"	""	"amygdaloside|D-amygdalin|glucoprunasin|isoamygdalin"	"C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O"	"XUCIJNAGGSZNQT-UHFFFAOYSA-N"	"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2"	""	""	""
"6804"	"danaparoid"	""	"Synthetic organic"	"yes"	""	""	""	"178103410"	"0"	""	""	"CHEMBL1201534"	""	""	""	""	""	"danaparoid sodium"	"ORG-10172|Orgaran&reg;"	""	""	""	""	""	""
"11448"	"danavorexton"	""	"Synthetic organic"	""	""	""	""	"440816817"	"130310079"	""	""	""	""	""	""	""	""	"danavorexton"	"Example 5 [US10287305]|TAK-925|TAK925"	"COC(=O)N1CCC[C@@H]([C@@H]1CO[C@@H]1CC[C@@H](CC1)c1ccccc1)NS(=O)(=O)C"	"UXZAJSZFFARTEI-YRPNKDGESA-N"	"InChI=1S/C21H32N2O5S/c1-27-21(24)23-14-6-9-19(22-29(2,25)26)20(23)15-28-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-20,22H,6,9-15H2,1-2H3/t17-,18+,19-,20-/m0/s1"	""	""	""
"6942"	"danazol"	""	"Synthetic organic"	"yes"	""	""	""	"178103524"	"28417"	""	""	"CHEMBL1479"	""	""	""	""	""	"danazol"	"Danocrine&reg;"	"C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=Cc3c(C[C@]12C)cno3"	"POZRVZJJTULAOH-LHZXLZLDSA-N"	"InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1"	""	""	""
"14545"	"danicamtiv"	""	"Synthetic organic"	""	""	""	""	"528429866"	"12242442|122424426"	""	""	"CHEMBL4594304"	""	""	""	""	"4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide"	"danicamtiv"	"MYK-491|MYK491|SAR-440181|SAR440181"	"C[C@@](C1CCN(CC1)C(=O)NC2=NOC=C2)(F)S(=O)(=O)C3=CN(N=C3C(F)F)C"	"NREKKBAMVWQRES-MRXNPFEDSA-N"	"InChI=1S/C16H20F3N5O4S/c1-16(19,29(26,27)11-9-23(2)21-13(11)14(17)18)10-3-6-24(7-4-10)15(25)20-12-5-8-28-22-12/h5,8-10,14H,3-4,6-7H2,1-2H3,(H,20,22,25)/t16-/m1/s1"	""	""	""
"11988"	"danicopan"	""	"Synthetic organic"	"yes"	""	""	""	"464244129"	"118323590"	""	""	"CHEMBL4250860"	""	""	""	""	""	"danicopan"	"ACH-4471|ACH4471|Voydeya&reg;"	"Cc1ncc(cn1)c1cc2c(cc1)n(nc2C(=O)C)CC(=O)N1C[C@@H](C[C@H]1C(=O)Nc1nc(ccc1)Br)F"	"PIBARDGJJAGJAJ-NQIIRXRSSA-N"	"InChI=1S/C26H23BrFN7O3/c1-14(36)25-19-8-16(17-10-29-15(2)30-11-17)6-7-20(19)35(33-25)13-24(37)34-12-18(28)9-21(34)26(38)32-23-5-3-4-22(27)31-23/h3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,31,32,38)/t18-,21+/m1/s1"	""	""	""
"8500"	"danirixin"	""	"Synthetic organic"	""	""	""	""	"252166708"	"24780598"	""	""	"CHEMBL3039531"	""	""	""	""	"1-[4-chloro-2-hydroxy-3-[(3S)-piperidin-3-yl]sulfonylphenyl]-3-(3-fluoro-2-methylphenyl)urea"	"danirixin"	"GSK-1325756B|GSK1325756|GSK1325756B"	"O=C(Nc1cccc(c1C)F)Nc1ccc(c(c1O)S(=O)(=O)[C@H]1CCCNC1)Cl"	"NGYNBSHYFOFVLS-LBPRGKRZSA-N"	"InChI=1S/C19H21ClFN3O4S/c1-11-14(21)5-2-6-15(11)23-19(26)24-16-8-7-13(20)18(17(16)25)29(27,28)12-4-3-9-22-10-12/h2,5-8,12,22,25H,3-4,9-10H2,1H3,(H2,23,24,26)/t12-/m0/s1"	"yes"	""	"yes"
"13667"	"danofloxacin"	""	"Synthetic organic"	""	""	""	""	"507750301"	"71335"	""	""	"CHEMBL157548"	""	""	""	""	"1-cyclopropyl-6-fluoro-7-[(1S,4S)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxoquinoline-3-carboxylic acid"	"danofloxacin"	"Advocid&reg; (veterinary)|Advocin&reg; (veterinary)|CP-76,136"	"CN1C[C@@H]2C[C@H]1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F"	"QMLVECGLEOSESV-RYUDHWBXSA-N"	"InChI=1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1"	""	""	"yes"
"4172"	"dantrolene"	""	"Synthetic organic"	"yes"	""	""	""	"178100992"	"6914273"	""	""	"CHEMBL1201288"	""	""	""	""	"1-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione"	"dantrolene"	"Agilus&reg;|Dantrium&reg;|F-368|F-440|Ryanodex&reg;"	"O=C1CN(C(=O)N1)/N=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]"	"OZOMQRBLCMDCEG-VIZOYTHASA-N"	"InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+"	""	""	""
"12064"	"danuglipron"	""	"Synthetic organic"	""	""	""	""	"472319186"	"134611040"	""	""	"CHEMBL4518483"	""	""	""	""	""	"danuglipron"	"PF-06882961|PF06882961"	"Fc1cc(C#N)ccc1COc1cccc(C2CCN(Cc3nc4ccc(C(=O)O)cc4n3C[C@@H]3CCO3)CC2)n1"	"HYBAKUMPISVZQP-DEOSSOPVSA-N"	"InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1"	""	""	""
"7937"	"danusertib"	""	"Synthetic organic"	""	""	""	""	"249565620"	"11442891"	""	""	"CHEMBL402548"	""	""	""	""	"N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide"	"danusertib"	"PHA 739358|PHA-739358"	"CO[C@@H](C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)c1ccccc1"	"XKFTZKGMDDZMJI-HSZRJFAPSA-N"	"InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1"	""	""	""
"13607"	"danvatirsen"	""	"Nucleic acid"	""	""	""	""	"504705426"	"0"	""	""	"CHEMBL4297739"	""	""	""	""	""	"danvatirsen"	"AZD-9150|AZD9150|ISIS STAT3Rx"	""	""	""	""	""	""
"1443"	"D-AP4"	""	"Synthetic organic"	""	""	""	""	"135650159"	"1550579"	""	""	"CHEMBL1319383"	""	""	""	""	"(2R)-2-amino-4-phosphonobutanoic acid"	""	""	"OC(=O)[C@@H](CCP(=O)(O)O)N"	"DDOQBQRIEWHWBT-GSVOUGTGSA-N"	"InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m1/s1"	""	""	""
"4168"	"d-AP5"	""	"Synthetic organic"	""	""	""	""	"178100988"	"24794417"	""	""	"CHEMBL84612"	""	""	""	""	"(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate"	""	"D-aminophosphonovaleric acid|D-AP-5"	"OC(=O)[C@@H](CCCP(=O)(O)[O-])N"	"VOROEQBFPPIACJ-SCSAIBSYSA-M"	"InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/p-1/t4-/m1/s1"	""	""	""
"4594"	"dapagliflozin"	""	"Synthetic organic"	"yes"	""	""	""	"178101315"	"9887712"	""	""	"CHEMBL429910"	""	""	""	""	"(2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol"	"dapagliflozin"	"BMS-512148|Farxiga&reg;|Forxiga&reg;"	"CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O"	"JVHXJTBJCFBINQ-ADAARDCZSA-N"	"InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1"	""	""	""
"10056"	"dapansutrile"	""	"Synthetic organic"	""	""	""	""	"375973244"	"12714644"	""	""	"CHEMBL3989943"	""	""	""	""	"3-methylsulfonylpropanenitrile"	"dapansutrile"	"OLT-1177|OLT1177"	"N#CCCS(=O)(=O)C"	"LQFRYKBDZNPJSW-UHFFFAOYSA-N"	"InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3"	"yes"	""	""
"5498"	"DAPI"	""	"Synthetic organic"	""	""	""	""	"178102145"	"2954"	""	""	"CHEMBL48217"	""	""	""	""	"2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide"	""	"4',6-diamidino-2-phenylindole|antifade"	"NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N"	"FWBHETKCLVMNFS-UHFFFAOYSA-N"	"InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)"	""	""	""
"14279"	"dapiglutide"	""	"Peptide"	""	""	""	""	"521588919"	"171934788"	""	""	""	""	""	""	""	""	"dapiglutide"	"ZP-7570|ZP7570"	"CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@](C)(CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC6=CNC=N6)N"	"ZFSPELIJRGIIEX-HLQWLALHSA-N"	"InChI=1S/C192H302N46O57/c1-24-101(11)151(181(284)211-108(18)161(264)219-133(84-115-90-203-120-60-49-48-59-118(115)120)172(275)221-130(81-100(9)10)175(278)233-152(102(12)25-2)182(285)218-124(65-70-140(195)244)167(270)224-134(86-117-92-200-97-206-117)173(276)216-121(61-50-52-76-193)169(272)231-154(104(14)27-4)184(287)237-156(111(21)242)185(288)228-137(189(293)294)89-150(259)260)232-176(279)131(82-113-55-42-40-43-56-113)222-174(277)135(87-148(255)256)225-166(269)122(62-54-78-202-191(197)198)214-159(262)106(16)207-158(261)105(15)209-165(268)126(66-71-141(196)245)230-190(295)192(23,75-51-53-77-201-142(246)72-67-127(188(291)292)212-143(247)63-46-38-36-34-32-30-28-29-31-33-35-37-39-47-64-145(249)250)238-180(283)136(88-149(257)258)226-171(274)129(80-99(7)8)227-183(286)153(103(13)26-3)234-187(290)157(112(22)243)235-162(265)109(19)210-170(273)128(79-98(5)6)220-168(271)125(69-74-147(253)254)217-179(282)139(95-240)229-186(289)155(110(20)241)236-177(280)132(83-114-57-44-41-45-58-114)223-178(281)138(94-239)213-144(248)93-204-164(267)123(68-73-146(251)252)215-160(263)107(17)208-163(266)119(194)85-116-91-199-96-205-116/h40-45,48-49,55-60,90-92,96-112,119,121-139,151-157,203,239-243H,24-39,46-47,50-54,61-89,93-95,193-194H2,1-23H3,(H2,195,244)(H2,196,245)(H,199,205)(H,200,206)(H,201,246)(H,204,267)(H,207,261)(H,208,266)(H,209,268)(H,210,273)(H,211,284)(H,212,247)(H,213,248)(H,214,262)(H,215,263)(H,216,276)(H,217,282)(H,218,285)(H,219,264)(H,220,271)(H,221,275)(H,222,277)(H,223,281)(H,224,270)(H,225,269)(H,226,274)(H,227,286)(H,228,288)(H,229,289)(H,230,295)(H,231,272)(H,232,279)(H,233,278)(H,234,290)(H,235,265)(H,236,280)(H,237,287)(H,238,283)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,291,292)(H,293,294)(H4,197,198,202)/t101-,102-,103-,104-,105-,106-,107-,108-,109-,110+,111+,112+,119-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,151-,152-,153-,154-,155-,156-,157-,192-/m0/s1"	""	""	""
"7155"	"dapiprazole"	""	"Synthetic organic"	"yes"	""	""	""	"178103730"	"3033538"	""	""	"CHEMBL1201216"	""	""	""	""	"1-(2-methylphenyl)-4-(2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)piperazine"	"dapiprazole"	"AF-2139|Rev-Eyes&reg;"	"Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2"	"RFWZESUMWJKKRN-UHFFFAOYSA-N"	"InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3"	""	""	""
"11123"	"dapirolizumab pegol"	""	"Antibody"	""	""	""	""	"434122183"	"0"	""	""	"CHEMBL2109478"	""	""	""	""	""	"dapirolizumab pegol"	"CDP-7657|CDP7657|DZP"	""	""	""	"yes"	""	""
"9422"	"DAPK inhibitor 13"	""	"Synthetic organic"	""	""	""	""	"328083522"	"56694877"	""	""	""	""	""	""	""	"(4E)-2-(4-bromo-3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one"	""	"compound 13 [PMID: 20206532]|i-13"	"O=C1OC(=N/C/1=C/c1cccnc1)c1ccc(c(c1)C)Br"	"AIDLMCGWDDGYCV-RIYZIHGNSA-N"	"InChI=1S/C16H11BrN2O2/c1-10-7-12(4-5-13(10)17)15-19-14(16(20)21-15)8-11-3-2-6-18-9-11/h2-9H,1H3/b14-8+"	""	""	""
"13204"	"dapolsertib"	""	"Synthetic organic"	""	""	""	""	"491299986"	"76286825"	""	""	"CHEMBL4467168"	""	""	""	""	"5,6-dibromo-4-nitro-2-piperidin-4-yl-1-propan-2-ylbenzimidazole"	"dapolsertib"	"Example 26A [WO2014096388]|MEN1703|SEL-24|SEL24"	"CC(C)N1C2=CC(=C(C(=C2N=C1C3CCNCC3)[N+](=O)[O-])Br)Br"	"UOUBCIJIWDLRGM-UHFFFAOYSA-N"	"InChI=1S/C15H18Br2N4O2/c1-8(2)20-11-7-10(16)12(17)14(21(22)23)13(11)19-15(20)9-3-5-18-6-4-9/h7-9,18H,3-6H2,1-2H3"	""	""	""
"7745"	"daporinad"	""	"Synthetic organic"	""	""	""	""	"223366078"	"6914657"	""	""	"CHEMBL566757"	""	""	""	""	"(E)-N-[4-[1-(benzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide"	"daporinad"	"APO-866|FK-866|FK866"	"O=C(/C=C/c1cccnc1)NCCCCC1CCN(CC1)C(=O)c1ccccc1"	"KPBNHDGDUADAGP-VAWYXSNFSA-N"	"InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+"	""	""	""
"7901"	"dapoxetine"	""	"Synthetic organic"	"yes"	""	""	""	"249565584"	"71353"	""	""	"CHEMBL2110900"	""	""	""	""	"(1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine"	"dapoxetine"	"LY 210448|LY-210448"	"CN([C@H](c1ccccc1)CCOc1cccc2c1cccc2)C"	"USRHYDPUVLEVMC-FQEVSTJZSA-N"	"InChI=1S/C21H23NO/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21/h3-14,20H,15-16H2,1-2H3/t20-/m0/s1"	""	""	""
"8455"	"daprodustat"	""	"Synthetic organic"	"yes"	""	""	""	"252166665"	"91617630"	""	""	""	""	""	""	""	"2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid"	"daprodustat"	"Duvroq&reg;|GSK-1278863|GSK1278863|Jesduvroq&reg;"	"OC(=O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C1=O)C1CCCCC1"	"RUEYEZADQJCKGV-UHFFFAOYSA-N"	"InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24)"	""	""	""
"10934"	"dapsone"	""	"Synthetic organic"	"yes"	""	""	""	"405560375"	"2955"	""	""	"CHEMBL1043"	""	""	""	""	"4-(4-aminophenyl)sulfonylaniline"	"dapsone"	"Aczone&reg;|NSC-6091"	"Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N"	"MQJKPEGWNLWLTK-UHFFFAOYSA-N"	"InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2"	""	"yes"	"yes"
"11363"	"DAPT"	""	"Synthetic organic"	""	""	""	""	"440816732"	"5311272"	""	""	"CHEMBL255682"	""	""	""	""	"tert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate"	""	"gamma-Secretase Inhibitor IX|GSI-IX|LY-374973"	"O=C(N[C@H](C(=O)N[C@@H](c1ccccc1)C(=O)OC(C)(C)C)C)Cc1cc(F)cc(c1)F"	"DWJXYEABWRJFSP-XOBRGWDASA-N"	"InChI=1S/C23H26F2N2O4/c1-14(26-19(28)12-15-10-17(24)13-18(25)11-15)21(29)27-20(16-8-6-5-7-9-16)22(30)31-23(2,3)4/h5-11,13-14,20H,12H2,1-4H3,(H,26,28)(H,27,29)/t14-,20-/m0/s1"	""	""	""
"10904"	"daptomycin"	""	"Natural product"	"yes"	""	""	""	"405560345"	"16134395"	""	""	"CHEMBL387675"	""	""	""	""	""	"daptomycin"	"Cubicin&reg;|LY-146032|LY146032"	"NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)CCCCCCCCC)CC(=O)N)CC(=O)O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)C)CC(=O)O)CO)[C@@H](CC(=O)O)C)CC(=O)c1ccccc1N"	"DOAKLVKFURWEDJ-RWDRXURGSA-N"	"InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37-,43+,44+,45+,46+,47+,48+,49+,50-,60+,61+/m1/s1"	""	""	"yes"
"6696"	"darapladib"	""	"Synthetic organic"	""	""	""	""	"178103307"	"9939609"	""	""	"CHEMBL204021"	""	""	""	""	"N-(2-diethylaminoethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[e]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide"	"darapladib"	"SB 480848|SB-480848"	"CCN(CCN(C(=O)Cn1c(SCc2ccc(cc2)F)nc(=O)c2c1CCC2)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F)CC"	"WDPFJWLDPVQCAJ-UHFFFAOYSA-N"	"InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3"	"yes"	""	""
"7395"	"daratumumab"	""	"Antibody"	"yes"	""	""	""	"178103967"	"0"	""	""	""	""	""	""	""	""	"daratumumab"	"3003-005|Darzalex&reg;|HuMax-CD38|JNJ-54767414"	""	""	""	"yes"	""	""
"13368"	"daraxonrasib"	""	"Synthetic organic"	"yes"	""	""	""	"496703338"	"164726578"	""	""	""	""	""	""	""	""	"daraxonrasib"	"RAS Inhibitor A122|Rasonque&reg;|RMC-6236|RMC6236"	"CCN1C2=C3C=C(C=C2)C4=CSC(=N4)C[C@@H](C(=O)N5CCC[C@H](N5)C(=O)OCC(CC3=C1C6=C(N=CC(=C6)N7CCN(CC7)C)[C@H](C)OC)(C)C)NC(=O)[C@H]8C[C@@H]8C"	"FVICRBSEYSHKFY-JYQNNKODSA-N"	"InChI=1S/C44H58N8O5S/c1-8-51-37-12-11-28-19-31(37)33(40(51)32-20-29(23-45-39(32)27(3)56-7)50-16-14-49(6)15-17-50)22-44(4,5)25-57-43(55)34-10-9-13-52(48-34)42(54)35(21-38-46-36(28)24-58-38)47-41(53)30-18-26(30)2/h11-12,19-20,23-24,26-27,30,34-35,48H,8-10,13-18,21-22,25H2,1-7H3,(H,47,53)/t26-,27-,30-,34-,35-/m0/s1"	""	""	""
"4680"	"D-arginine"	""	"Metabolite"	""	""	""	""	"178101394"	"71070"	""	""	"CHEMBL212301"	""	""	""	""	"(2R)-2-amino-5-[(diaminomethylidene)amino]pentanoic acid"	""	""	"OC(=O)[C@@H](CCCN=C(N)N)N"	"ODKSFYDXXFIFQN-SCSAIBSYSA-N"	"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1"	""	""	""
"1102"	"[D-Arg<sup>1</sup>,D-Phe<sup>5</sup>,D-Trp<sup>7,9</sup>,Leu<sup>11</sup>]substance P"	""	"Peptide"	""	""	""	""	"135652082"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6184"	"[D-Arg<sup>1</sup>,D-Trp<sup>7,9</sup>,Leu<sup>11</sup>]substance P"	""	"Peptide"	""	""	""	""	"178102805"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14174"	"[D-Arg<sup>8</sup>]inotocin"	""	"Peptide"	""	""	""	""	"518520801"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11648"	"daridorexant"	""	"Synthetic organic"	"yes"	""	""	""	"442878674"	"91801202"	""	""	"CHEMBL4297590"	""	""	""	""	"[(2S)-2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone"	"daridorexant"	"ACT-541468|ACT541468|nemorexant (former name)|Quviviq&reg;"	"Cc1c(ccc2c1nc([nH]2)[C@@]1(CCCN1C(=O)c1c(ccc(c1)OC)n1nccn1)C)Cl"	"NBGABHGMJVIVBW-QHCPKHFHSA-N"	"InChI=1S/C23H23ClN6O2/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28)/t23-/m0/s1"	""	""	""
"321"	"darifenacin"	""	"Synthetic organic"	"yes"	""	""	""	"135650160"	"444031"	""	""	"CHEMBL1346"	""	""	""	""	"2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-di(phenyl)acetamide"	"darifenacin"	"Emselex&reg;|Enablex&reg;|UK-88525"	"NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2"	"HXGBXQDTNZMWGS-RUZDIDTESA-N"	"InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1"	""	""	""
"9798"	"darigabat"	""	"Synthetic organic"	""	""	""	""	"354702270"	"76287260"	""	""	"CHEMBL3647536"	""	""	""	""	"7-ethyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine"	"darigabat"	"example 4 [WO2014091368]|PF-06372865|PF06372865"	"COc1cc(ccc1c1cc(ccc1F)c1cnnc2c1ncn2CC)S(=O)(=O)CC"	"PTTQXDBPTFOCMT-UHFFFAOYSA-N"	"InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3"	""	""	""
"12376"	"darizmetinib"	""	"Synthetic organic"	""	""	""	""	"479821167"	"139369660"	""	""	"CHEMBL4795907"	""	""	""	""	"N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide"	"darizmetinib"	"example 63 [WO2019149738A1]|HRX-0215|HRX-215|HRX215"	"CCCS(=O)(=O)Nc1c(ccc(c1F)C(=O)c1c2cc(cnc2n[nH]1)c1ccncc1)F"	"WBNMARNYIFMNEP-UHFFFAOYSA-N"	"InChI=1S/C21H17F2N5O3S/c1-2-9-32(30,31)28-19-16(22)4-3-14(17(19)23)20(29)18-15-10-13(11-25-21(15)27-26-18)12-5-7-24-8-6-12/h3-8,10-11,28H,2,9H2,1H3,(H,25,26,27)"	""	""	""
"13803"	"darlifarnib"	""	"Synthetic organic"	""	""	""	""	"507750436"	"169292289"	""	""	""	""	""	""	""	""	"darlifarnib"	"compound (S)-058 [US20230322711]|KO-2806|KO2806"	"CN1C=NC=C1[C@]2(C3=CC(=C(C=C3)C#N)COC4=CC=CC(=C4)C5=C6C=C2C=CC6=NC(=C5)C#N)N"	"GWKGWWBQKOIPNP-GDLZYMKVSA-N"	"InChI=1S/C29H20N6O/c1-35-17-33-15-28(35)29(32)21-6-5-19(13-30)20(9-21)16-36-24-4-2-3-18(10-24)25-12-23(14-31)34-27-8-7-22(29)11-26(25)27/h2-12,15,17H,16,32H2,1H3/t29-/m1/s1"	""	""	""
"14286"	"darobactin A"	""	"Natural product"	""	""	""	""	"521588926"	"155899183"	""	""	"CHEMBL5403860"	""	""	""	""	""	""	""	"C1[C@@H](C(=O)N[C@H](C(=O)N[C@H]2[C@@H](C3=CNC4=C3C=CC(=C4)[C@@H]([C@H](NC(=O)[C@@H](NC2=O)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O)CCCN)OC6=CC=CC7=C6NC=C71)CC(=O)N)N"	"HRMCRRLPTVSYHJ-KUDSBEMESA-N"	"InChI=1S/C47H55N11O12/c48-13-5-9-25-23-11-12-27-28(19-51-30(27)16-23)40-39(58-42(63)31(17-36(50)61)53-41(62)29(49)15-24-18-52-37-26(24)8-4-10-35(37)70-40)46(67)56-34(21-60)44(65)57-38(25)45(66)55-33(20-59)43(64)54-32(47(68)69)14-22-6-2-1-3-7-22/h1-4,6-8,10-12,16,18-19,25,29,31-34,38-40,51-52,59-60H,5,9,13-15,17,20-21,48-49H2,(H2,50,61)(H,53,62)(H,54,64)(H,55,66)(H,56,67)(H,57,65)(H,58,63)(H,68,69)/t25-,29-,31-,32-,33-,34-,38-,39-,40+/m0/s1"	""	""	"yes"
"10439"	"darolutamide"	""	"Synthetic organic"	"yes"	""	""	""	"385612199"	"67171867"	""	""	""	""	""	""	""	"N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(1-hydroxyethyl)-1H-pyrazole-3-carboxamide"	"darolutamide"	"BAY-1841788)|BAY1841788|example 56 [US9657003]|Nubeqa&reg;|ODM-201|ODM201"	"N#Cc1ccc(cc1Cl)c1ccn(n1)C[C@@H](NC(=O)c1n[nH]c(c1)C(O)C)C"	"BLIJXOOIHRSQRB-PXYINDEMSA-N"	"InChI=1S/C19H19ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1"	""	""	""
"11186"	"darovasertib"	""	"Synthetic organic"	""	""	""	""	"434122246"	"118873253"	""	""	"CHEMBL3982723"	""	""	""	""	"3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide"	"darovasertib"	"Example 9 [WO2016020864A1]|IDE-196|IDE196|LXS-196|LXS196|NVP-LXS196"	"O=C(c1nc(cnc1N)c1ncccc1C(F)(F)F)Nc1ncccc1N1CCC(CC1)(C)N"	"XXJXHXJWQSCNPX-UHFFFAOYSA-N"	"InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34)"	""	""	""
"11243"	"darunavir"	""	"Synthetic organic"	"yes"	""	""	""	"434122303"	"213039"	""	""	"CHEMBL1323"	""	""	""	""	"[(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate"	"darunavir"	"DRV|Prezista&reg;|TMC114|UIC-94017"	"CC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)C"	"CJBJHOAVZSMMDJ-HEXNFIEUSA-N"	"InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1"	""	""	""
"3508"	"darusentan"	""	"Synthetic organic"	""	""	""	""	"178100494"	"177236"	""	""	"CHEMBL23261"	""	""	""	""	"(2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-di(phenyl)propanoic acid"	"darusentan"	"HMR-4005|LU-135252"	"COC([C@@H](C(=O)O)Oc1nc(OC)cc(n1)OC)(c1ccccc1)c1ccccc1"	"FEJVSJIALLTFRP-LJQANCHMSA-N"	"InChI=1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1"	""	""	""
"10556"	"DASA-58"	""	"Synthetic organic"	""	""	""	""	"404859004"	"44543605"	""	""	"CHEMBL1089334"	""	""	""	""	"3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline"	""	"compound 1 [PMID: 21958545]|DASA58|ML-203|ML203"	"Nc1cccc(c1)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc2c(c1)OCCO2"	"GMHIOMMKSMSRLY-UHFFFAOYSA-N"	"InChI=1S/C19H23N3O6S2/c20-15-3-1-4-16(13-15)29(23,24)21-7-2-8-22(10-9-21)30(25,26)17-5-6-18-19(14-17)28-12-11-27-18/h1,3-6,13-14H,2,7-12,20H2"	""	""	""
"11270"	"dasabuvir"	""	"Synthetic organic"	"yes"	""	""	""	"434321705"	"56640146"	""	""	"CHEMBL3137312"	""	""	""	""	"N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide"	"dasabuvir"	"ABT-333|ABT333|Exviera&reg;"	"COc1c(cc(cc1C(C)(C)C)n1ccc(=O)[nH]c1=O)c1ccc2c(c1)ccc(c2)NS(=O)(=O)C"	"NBRBXGKOEOGLOI-UHFFFAOYSA-N"	"InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31)"	""	""	""
"5678"	"dasatinib"	""	"Synthetic organic"	"yes"	""	""	""	"178102305"	"3062316"	""	""	"CHEMBL1421"	""	""	""	""	"N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide"	"dasatinib"	"BMS 345825|BMS 354825|BMS 35482513|Sprycel&reg;"	"OCCN1CCN(CC1)c1cc(nc(n1)C)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl"	"ZBNZXTGUTAYRHI-UHFFFAOYSA-N"	"InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)"	"yes"	""	""
"4651"	"D-ascorbic acid"	""	"Metabolite"	""	""	""	""	"178101368"	"54690394"	""	""	""	""	""	""	""	"(5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one"	""	""	"OC[C@H]([C@@H]1OC(=O)C(=C1O)O)O"	"CIWBSHSKHKDKBQ-MVHIGOERSA-N"	"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m1/s1"	""	""	""
"8308"	"dasotraline"	""	"Synthetic organic"	""	""	""	""	"252166520"	"9947999"	""	""	"CHEMBL3301595"	""	""	""	""	"(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine"	"dasotraline"	"(1R,4S)-trans-norsertraline|SEP-225,289|SEP-225289"	"N[C@@H]1CC[C@H](c2c1cccc2)c1ccc(c(c1)Cl)Cl"	"SRPXSILJHWNFMK-MEDUHNTESA-N"	"InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16+/m0/s1"	""	""	""
"6511"	"D-aspartic acid"	""	"Metabolite"	""	""	""	""	"178103125"	"83887"	""	""	"CHEMBL29757"	""	""	""	""	"(2R)-2-aminobutanedioic acid"	""	"D-aspartate"	"OC(=O)C[C@H](C(=O)O)N"	"CKLJMWTZIZZHCS-UWTATZPHSA-N"	"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1"	""	""	""
"14676"	"DAT-003"	""	"Synthetic organic"	""	""	""	""	"530846924"	"179030433"	""	""	""	""	""	""	""	""	""	"DA-003|DAT003"	"C1=C[N+](=CC=C1C(=O)N2CCN([C@@H](C(NC3=CN4C(=N3)CC[C@H]4C5=CC(=CC(=C5)F)F)=O)C)CC2(C)C)[O-]"	"WIXGUPFFHAMNDZ-VGSWGCGISA-N"	"InChI=1S/C27H30F2N6O3/c1-17(32-10-11-35(27(2,3)16-32)26(37)18-6-8-33(38)9-7-18)25(36)31-23-15-34-22(4-5-24(34)30-23)19-12-20(28)14-21(29)13-19/h6-9,12-15,17,22H,4-5,10-11,16H2,1-3H3,(H,31,36)/t17-,22+/m1/s1"	"yes"	""	""
"12440"	"datiscetin"	""	"Natural product"	""	""	""	""	"479821230"	"5281610"	""	""	"CHEMBL503168"	""	""	""	""	"3,5,7-trihydroxy-2-(2-hydroxyphenyl)chromen-4-one"	""	""	"C1=CC=C(C(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O"	"WCNLFPKXBGWWDS-UHFFFAOYSA-N"	"InChI=1S/C15H10O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,16-18,20H"	""	""	""
"13304"	"datopotamab deruxtecan"	""	"Antibody"	"yes"	""	""	""	"496703274"	"0"	""	""	""	""	""	""	""	""	"datopotamab deruxtecan"	"Dato-DXd|datopotamab deruxtecan-dlnk|Datroway&reg;|DS-1062|DS-1062a"	""	""	""	""	""	""
"1760"	"dATP"	""	"Metabolite"	""	""	""	""	"135651464"	"15993"	""	""	"CHEMBL335538"	""	""	""	""	"[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate"	""	"deoxyadenosine triphosphate"	"O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N"	"SUYVUBYJARFZHO-RRKCRQDMSA-N"	"InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1"	""	""	""
"1715"	"dATP&alpha;S"	""	"Synthetic organic"	""	""	""	""	"135651465"	"196416"	""	""	"CHEMBL2390988"	""	""	""	""	"[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate"	""	"dATPalphaS"	"O[C@H]1C[C@@H](O[C@@H]1COP(=S)(OP(=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N"	"CCPIKNHZOWQALM-DLQJRSQOSA-N"	"InChI=1S/C10H16N5O11P3S/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(24-7)2-23-29(22,30)26-28(20,21)25-27(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,30)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+,29?/m0/s1"	""	""	""
"246"	"DAU 6285"	""	"Synthetic organic"	""	""	""	""	"135650161"	"129928"	""	""	"CHEMBL1194556"	""	""	""	""	"(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-methoxy-2-oxo-3H-benzimidazole-1-carboxylate"	""	""	"COc1ccc2c(c1)n(C(=O)OC1CC3CCC(C1)N3C)c(=O)[nH]2"	"HKBNGEJJECJLOW-UHFFFAOYSA-N"	"InChI=1S/C17H21N3O4/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-9-12(23-2)5-6-14(15)18-16(20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21)"	""	""	""
"7063"	"daunorubicin"	""	"Natural product"	"yes"	""	""	""	"178103642"	"30323"	""	""	"CHEMBL178"	""	""	""	""	"(8S,10S)-8-acetyl-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione"	"daunorubicin"	"Cerubidine&reg;|daunomycin|FI-6339|NDC-0082-4155|RP-13057"	"COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C"	"STQGQHZAVUOBTE-VGBVRHCVSA-N"	"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1"	""	""	"yes"
"10684"	"davalintide"	""	"Peptide"	""	""	""	""	"404859131"	"71587842"	""	""	""	""	""	""	""	""	""	"DACRA"	"NCCCC[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)N)[C@H](O)C)C)[C@H](O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)[C@H](O)C)CC(=O)N)CO)[C@H](O)C)CC(=O)N)[C@H](O)C)CCCNC(=N)N)Cc1ccc(cc1)O)[C@H](O)C)CCC(=O)N)CC(C)C)CCCNC(=N)N)Cc1[nH]cnc1)CC(C)C)CCC(=O)O)CCC(=O)N)CO)CC(C)C)CCCNC(=N)N)CC(C)C)C(C)C)N"	"SLYFITHISHUGLZ-QPMCIWSFSA-N"	"InChI=1S/C152H248N50O49S2/c1-66(2)48-91(189-143(245)113(70(9)10)195-140(242)103-64-253-252-63-102(193-122(224)83(154)24-18-19-43-153)139(241)188-97(56-108(158)216)135(237)200-115(73(13)206)144(246)174-71(11)121(223)196-116(74(14)207)148(250)194-103)123(225)171-59-110(218)175-84(25-20-44-168-150(161)162)124(226)183-94(51-69(7)8)132(234)192-101(62-204)138(240)180-87(37-40-105(155)213)126(228)178-89(39-42-112(220)221)127(229)185-93(50-68(5)6)131(233)186-95(54-80-58-167-65-173-80)133(235)177-85(26-21-45-169-151(163)164)125(227)184-92(49-67(3)4)130(232)179-88(38-41-106(156)214)129(231)199-119(77(17)210)147(249)191-99(53-79-31-35-82(212)36-32-79)149(251)202-47-23-28-104(202)141(243)181-86(27-22-46-170-152(165)166)128(230)198-118(76(16)209)146(248)190-98(57-109(159)217)136(238)197-114(72(12)205)142(244)172-60-111(219)176-100(61-203)137(239)187-96(55-107(157)215)134(236)201-117(75(15)208)145(247)182-90(120(160)222)52-78-29-33-81(211)34-30-78/h29-36,58,65-77,83-104,113-119,203-212H,18-28,37-57,59-64,153-154H2,1-17H3,(H2,155,213)(H2,156,214)(H2,157,215)(H2,158,216)(H2,159,217)(H2,160,222)(H,167,173)(H,171,225)(H,172,244)(H,174,246)(H,175,218)(H,176,219)(H,177,235)(H,178,228)(H,179,232)(H,180,240)(H,181,243)(H,182,247)(H,183,226)(H,184,227)(H,185,229)(H,186,233)(H,187,239)(H,188,241)(H,189,245)(H,190,248)(H,191,249)(H,192,234)(H,193,224)(H,194,250)(H,195,242)(H,196,223)(H,197,238)(H,198,230)(H,199,231)(H,200,237)(H,201,236)(H,220,221)(H4,161,162,168)(H4,163,164,169)(H4,165,166,170)/t71-,72+,73+,74+,75+,76+,77+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,113-,114-,115-,116-,117-,118-,119-/m0/s1"	""	""	""
"11174"	"DAV-CRI-14a23e73-1"	""	"Synthetic organic"	""	""	""	""	"434122234"	"154699454"	""	""	""	""	""	""	""	"2-chloro-N-(1-{5-chloro-4'-sulfamoyl-[1,1'-biphenyl]-3-yl}ethyl)acetamide"	""	""	"ClCC(=O)NC(c1cc(Cl)cc(c1)c1ccc(cc1)S(=O)(=O)N)C"	"QXFHJCBKHQAQDM-UHFFFAOYSA-N"	"InChI=1S/C16H16Cl2N2O3S/c1-10(20-16(21)9-17)12-6-13(8-14(18)7-12)11-2-4-15(5-3-11)24(19,22)23/h2-8,10H,9H2,1H3,(H,20,21)(H2,19,22,23)"	""	""	""
"12887"	"davelizomib"	""	"Synthetic organic"	""	""	""	""	"485206008"	"147112102"	""	""	""	""	""	""	""	"2-[(4S)-2-[(1R)-1-[[2-[[(2S)-1-(2,4-difluorophenyl)azetidine-2-carbonyl]amino]acetyl]amino]-3-methylbutyl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid"	""	""	"B1(O[C@H](C(=O)O1)CC(=O)O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]2CCN2C3=C(C=C(C=C3)F)F"	"BMSAGHWUHGTMIV-ULQDDVLXSA-N"	"InChI=1S/C21H26BF2N3O7/c1-11(2)7-17(22-33-16(9-19(29)30)21(32)34-22)26-18(28)10-25-20(31)15-5-6-27(15)14-4-3-12(23)8-13(14)24/h3-4,8,11,15-17H,5-7,9-10H2,1-2H3,(H,25,31)(H,26,28)(H,29,30)/t15-,16-,17-/m0/s1"	""	""	""
"2181"	"dAVP"	""	"Peptide"	""	""	""	""	"135652083"	"27991"	""	""	"CHEMBL264448"	""	""	""	""	"N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide"	""	"[deamino-Cys<sup>1</sup>]AVP|[deamino<sup>1</sup>]AVP|deamino-vasopressin"	"NC(=O)CC1NC(=O)C(CCC(=O)N)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)CCSSCC(NC1=O)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N)Cc1ccc(cc1)O"	"NFLWUMRGJYTJIN-UHFFFAOYSA-N"	"InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)"	""	""	""
"2170"	"DAVP"	""	"Peptide"	""	""	""	""	"135652084"	"0"	""	""	""	""	""	""	""	""	""	"[<small>D</small>-Arg<sup>8</sup>]vasopressin|[D-Arg<sup>8</sup>]VP"	""	""	""	""	""	""
"444"	"DAX"	""	"Synthetic organic"	""	""	""	""	"135650162"	"9926882"	""	""	""	""	""	""	""	"8-cyclohexyl-1,3-di(prop-2-enyl)-7H-purine-2,6-dione"	""	"1,3-diallyl-8-cyclohexylxanthine"	"C=CCn1c2nc([nH]c2c(=O)n(c1=O)CC=C)C1CCCCC1"	"JPIQZRAYPNKFEI-UHFFFAOYSA-N"	"InChI=1S/C17H22N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h3-4,12H,1-2,5-11H2,(H,18,19)"	""	""	""
"13453"	"dazodalibep"	""	"Peptide"	""	""	""	""	"500839863"	"0"	""	""	""	""	""	""	""	""	"dazodalibep"	"MEDI-4920|MEDI4920|VIB 4920|VIB-4920|VIB4920"	""	""	""	"yes"	""	""
"5175"	"dazoxiben"	""	"Synthetic organic"	""	""	""	""	"178101865"	"53001"	""	""	"CHEMBL267473"	""	""	""	""	"4-[2-(1H-imidazol-1-yl)ethoxy]benzoic acid"	"dazoxiben"	""	"OC(=O)c1ccc(cc1)OCCn1cncc1"	"XQGZSYKGWHUSDH-UHFFFAOYSA-N"	"InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)"	""	""	""
"13264"	"dazucorilant"	""	"Synthetic organic"	""	""	""	""	"491300046"	"72192163"	""	""	"CHEMBL3734774"	""	""	""	""	"[(4aR)-1-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone"	"dazucorilant"	"compound 1 [PMID: 28368581]|CORT-113176|CORT113176"	"C1CN(C[C@@]2(C1=CC3=C(C2)C=NN3C4=CC=C(C=C4)F)C(=O)C5=CC=CC=N5)S(=O)(=O)C6=CC=C(C=C6)C(F)(F)F"	"VXOBXKQLNWYQPQ-NDEPHWFRSA-N"	"InChI=1S/C29H22F4N4O3S/c30-22-6-8-23(9-7-22)37-26-15-21-12-14-36(41(39,40)24-10-4-20(5-11-24)29(31,32)33)18-28(21,16-19(26)17-35-37)27(38)25-3-1-2-13-34-25/h1-11,13,15,17H,12,14,16,18H2/t28-/m0/s1"	""	""	""
"14524"	"dazukibart"	""	"Antibody"	""	""	""	""	"528429845"	"0"	""	""	""	""	""	""	""	""	"dazukibart"	"PF-06823859|PF06823859"	""	""	""	"yes"	""	""
"10534"	"dBET6"	""	"Synthetic organic"	""	""	""	""	"387065616"	"121427831"	""	""	""	""	""	""	""	""	""	""	"O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCCCCCNC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C"	"JGQPZPLJOBHHBK-UFXYQILXSA-N"	"InChI=1S/C42H45ClN8O7S/c1-23-24(2)59-42-35(23)37(26-13-15-27(43)16-14-26)46-29(38-49-48-25(3)50(38)42)21-33(53)44-19-8-6-4-5-7-9-20-45-34(54)22-58-31-12-10-11-28-36(31)41(57)51(40(28)56)30-17-18-32(52)47-39(30)55/h10-16,29-30H,4-9,17-22H2,1-3H3,(H,44,53)(H,45,54)(H,47,52,55)/t29-,30?/m0/s1"	""	""	""
"10545"	"dBRD9"	""	"Synthetic organic"	""	""	""	""	"387065622"	"135397681"	""	""	""	""	""	""	""	"2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]acetamide"	""	"Naphthiridinone degrader 6"	"COc1cc(cc(c1CN(CC(=O)NCCOCCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)C)OC)c1cn(C)c(=O)c2c1ccnc2"	"AIOCFZJGGGEWDK-UHFFFAOYSA-N"	"InChI=1S/C40H45N7O10/c1-45(21-29-32(54-3)18-24(19-33(29)55-4)28-22-46(2)38(51)27-20-41-11-10-25(27)28)23-35(49)43-13-15-57-17-16-56-14-12-42-30-7-5-6-26-36(30)40(53)47(39(26)52)31-8-9-34(48)44-37(31)50/h5-7,10-11,18-20,22,31,42H,8-9,12-17,21,23H2,1-4H3,(H,43,49)(H,44,48,50)"	""	""	""
"10546"	"dBRD9-A"	""	"Synthetic organic"	""	""	""	""	"387065623"	"139370810"	""	""	""	""	""	""	""	"2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide"	""	""	"COc1cc(cc(c1CN(CC(=O)NCCCCCCCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)C)OC)c1cn(C)c(=O)c2c1ccnc2"	"ZDINQSNMYRVAGP-UHFFFAOYSA-N"	"InChI=1S/C42H49N7O8/c1-47(23-31-34(56-3)20-26(21-35(31)57-4)30-24-48(2)40(53)29-22-43-19-16-27(29)30)25-37(51)45-18-10-8-6-5-7-9-17-44-32-13-11-12-28-38(32)42(55)49(41(28)54)33-14-15-36(50)46-39(33)52/h11-13,16,19-22,24,33,44H,5-10,14-15,17-18,23,25H2,1-4H3,(H,45,51)(H,46,50,52)"	""	""	""
"12726"	"DC 128.1"	""	"Synthetic organic"	""	""	""	""	"483123274"	"168433297"	""	""	""	""	""	""	""	"3-((1R,5S,9S)-2-Phenethyl-9-((Z)-prop-1-en-1-yl)-2-azabicyclo[3.3.1]nonan-5-yl)phenol"	""	"compound 18 [PMID: 36234992]|DC-01-0128.1"	"C(CC1=CC=CC=C1)N2[C@@H]3CCC[C@](CC2)([C@@H]3/C=C\C)C=4C=C(C=CC4)O"	"XGHUWVMRNBCUKH-FMNMTASSSA-N"	"InChI=1S/C25H31NO/c1-2-8-23-24-13-7-15-25(23,21-11-6-12-22(27)19-21)16-18-26(24)17-14-20-9-4-3-5-10-20/h2-6,8-12,19,23-24,27H,7,13-18H2,1H3/b8-2-/t23-,24-,25-/m1/s1"	""	""	""
"10982"	"DC-159a"	""	"Synthetic organic"	""	""	""	""	"405560423"	"11590217"	""	""	"CHEMBL1197225"	""	""	""	""	"7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid"	""	""	"COc1c(N2C[C](C3(C2)CC3)N)c(F)cc2c1n(cc(c2=O)C(=O)O)[C@@H]1C[C@@H]1F"	"CWRHFWJFDKNNCM-WCQYABFASA-N"	"InChI=1S/C20H20F2N3O4/c1-29-18-15-9(17(26)10(19(27)28)6-25(15)13-5-11(13)21)4-12(22)16(18)24-7-14(23)20(8-24)2-3-20/h4,6,11,13H,2-3,5,7-8,23H2,1H3,(H,27,28)/t11-,13+/m0/s1"	""	""	"yes"
"12729"	"DC-1-76.1"	""	"Synthetic organic"	""	""	""	""	"483123277"	"168433300"	""	""	""	""	""	""	""	"3-((1R,5S,9S)-2-Phenethyl-9-vinyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol"	""	"compound 9 [PMID: 36234992]|DC-01-0076.1"	"C(CC1=CC=CC=C1)N2[C@@H]3CCC[C@](CC2)([C@@H]3C=C)C=4C=C(C=CC4)O"	"VYLFPTUCOJRQKZ-WXFUMESZSA-N"	"InChI=1S/C24H29NO/c1-2-22-23-12-7-14-24(22,20-10-6-11-21(26)18-20)15-17-25(23)16-13-19-8-4-3-5-9-19/h2-6,8-11,18,22-23,26H,1,7,12-17H2/t22-,23-,24-/m1/s1"	""	""	""
"12727"	"DC-1-76.2"	""	"Synthetic organic"	""	""	""	""	"483123275"	"168433298"	""	""	""	""	""	""	""	"3-((1R,5S,9R)-2-Phenethyl-9-vinyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol"	""	"copmound 8 [PMID: 36234992]|DC-01-0076.2"	"C(CC1=CC=CC=C1)N2[C@@H]3CCC[C@](CC2)([C@H]3C=C)C=4C=C(C=CC4)O"	"VYLFPTUCOJRQKZ-RBZQAINGSA-N"	"InChI=1S/C24H29NO/c1-2-22-23-12-7-14-24(22,20-10-6-11-21(26)18-20)15-17-25(23)16-13-19-8-4-3-5-9-19/h2-6,8-11,18,22-23,26H,1,7,12-17H2/t22-,23+,24+/m0/s1"	""	""	""
"12728"	"DC-1-90.2"	""	"Synthetic organic"	""	""	""	""	"483123276"	"168433299"	""	""	""	""	""	""	""	"3-((1R,5S,9R)-2-Phenethyl-9-((Z)-prop-1-en-1-yl)-2-azabicyclo[3.3.1]nonan-5-yl)phenol"	""	"compound 17 [PMID: 36234992]|DC-01-0090.2"	"C(CC1=CC=CC=C1)N2[C@@H]3CCC[C@](CC2)([C@H]3/C=C\C)C=4C=C(C=CC4)O"	"XGHUWVMRNBCUKH-OOXZDXTNSA-N"	"InChI=1S/C25H31NO/c1-2-8-23-24-13-7-15-25(23,21-11-6-12-22(27)19-21)16-18-26(24)17-14-20-9-4-3-5-10-20/h2-6,8-12,19,23-24,27H,7,13-18H2,1H3/b8-2-/t23-,24+,25+/m0/s1"	""	""	""
"14548"	"dC2_049"	""	"Peptide"	""	""	""	""	"528429869"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2043"	"DC 23-60"	""	"Peptide"	""	""	""	""	"135652085"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"12505"	"DC591053"	""	"Synthetic organic"	""	""	""	""	"479821295"	"166625060"	""	""	""	""	""	""	""	"[(1S)-7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-morpholin-4-ylmethanone"	""	""	"C(C)OC1=C(C=C2CCN([C@H](C2=C1)CCC3=CNC4=CC=C(C=C34)OC)C(=O)N5CCOCC5)OC"	"LDKWYCXARVLWDX-VWLOTQADSA-N"	"InChI=1S/C28H35N3O5/c1-4-36-27-17-23-19(15-26(27)34-3)9-10-31(28(32)30-11-13-35-14-12-30)25(23)8-5-20-18-29-24-7-6-21(33-2)16-22(20)24/h6-7,15-18,25,29H,4-5,8-14H2,1-3H3/t25-/m0/s1"	""	""	""
"4170"	"d-CCPene"	""	"Synthetic organic"	""	""	""	""	"178100990"	"6437356"	""	""	"CHEMBL224678"	""	""	""	""	"4-[(2E)-3-phosphonoprop-2-en-1-yl]piperazine-2-carboxylic acid"	""	""	"OC(=O)C1NCCN(C1)C/C=C/P(=O)(O)O"	"VZXMZMJSGLFKQI-ORCRQEGFSA-N"	"InChI=1S/C8H15N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h1,5,7,9H,2-4,6H2,(H,11,12)(H2,13,14,15)/b5-1+"	""	""	""
"4173"	"DCDPC"	""	"Synthetic organic"	""	""	""	""	"178100993"	"87345"	""	""	""	""	""	""	""	"4-chloro-2-[(3-chlorophenyl)amino]benzoic acid"	""	"dichloro-diphenylamine 2-carboxylic acid"	"Clc1cccc(c1)Nc1cc(Cl)ccc1C(=O)O"	"GSDQYSSLIKJJOG-UHFFFAOYSA-N"	"InChI=1S/C13H9Cl2NO2/c14-8-2-1-3-10(6-8)16-12-7-9(15)4-5-11(12)13(17)18/h1-7,16H,(H,17,18)"	""	""	""
"2324"	"DC-EBIO"	""	"Synthetic organic"	""	""	""	""	"135650163"	"656765"	""	""	"CHEMBL1255655"	""	""	""	""	"5,6-dichloro-3-ethyl-1H-benzimidazol-2-one"	""	"dichloro-EBIO"	"CCn1c(=O)[nH]c2c1cc(Cl)c(c2)Cl"	"LKHRMULASXZCLG-UHFFFAOYSA-N"	"InChI=1S/C9H8Cl2N2O/c1-2-13-8-4-6(11)5(10)3-7(8)12-9(13)14/h3-4H,2H2,1H3,(H,12,14)"	""	""	""
"1377"	"DCG-IV"	""	"Synthetic organic"	""	""	""	""	"135650164"	"5310979"	""	""	"CHEMBL284193"	""	""	""	""	"(1R,2R)-3-[(1S)-1-amino-2-hydroxy-2-oxoethyl]cyclopropane-1,2-dicarboxylic acid"	""	""	"N[C@@H](C1[C@H]([C@@H]1C(=O)O)C(=O)O)C(=O)O"	"MATPZHBYOVDBLI-JJYYJPOSSA-N"	"InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1"	""	""	""
"2187"	"d[Cha<sup>4</sup>]AVP"	""	"Peptide"	""	""	""	""	"135652086"	"0"	""	""	""	""	""	""	""	""	""	"[1-deamino-4-cyclohexylalanine]AVP|[deamino-Cys<sup>1</sup>,Cha<sup>4</sup>]AVP"	""	""	""	""	""	""
"2186"	"d[Cha<sup>4</sup>,Dab<sup>8</sup>]VP"	""	"Peptide"	""	""	""	""	"135652087"	"0"	""	""	""	""	""	""	""	""	""	"[deamino-Cys<sup>1</sup>,Cha<sup>4</sup>,Dab<sup>8</sup>]vasopressin"	""	""	""	""	""	""
"2188"	"d[Cha<sup>4</sup>]LVP"	""	"Peptide"	""	""	""	""	"135652088"	"0"	""	""	""	""	""	""	""	""	""	"[1-deamino-4-cyclohexylalanine]LVP|[deamino-Cys<sup>1</sup>,Cha<sup>4</sup>,Lys<sup>8</sup>]vasopressin"	""	""	""	""	""	""
"2215"	"d(CH<sub>2</sub>)<sub>5</sub>[<small>D</small>-Ile<sup>2</sup>,Ile<sup>4</sup>,Ala-NH<sub>2</sub>]AVP"	""	"Peptide"	""	""	""	""	"135652089"	"0"	""	""	""	""	""	""	""	""	""	"&beta;-mercapto-&beta;,&beta;,cyclopentamethylenepropionyl[<small>D</small>-Ile<sup>2</sup>,Ile<sup>4</sup>,Ala-NH<sub>2</sub>]AVP"	""	""	""	""	""	""
"2214"	"d(CH<sub>2</sub>)<sub>5</sub>[<small>D</small>-Ile<sup>2</sup>,Ile<sup>4</sup>,Ala-NH<sub>2</sub><sup>9</sup>]AVP"	""	"Peptide"	""	""	""	""	"135652090"	"0"	""	""	""	""	""	""	""	""	""	"&beta;-mercapto-&beta;,&beta;,cyclopentamethylenepropionyl[<small>D</small>-Ile<sup>2</sup>,Ile<sup>4</sup>,Ala-NH<sub>2</sub><sup>9</sup>]AVP|Pmp[<small>D</small>-Ile<sup>2</sup>,Ile<sup>4</sup>,Ala-NH<sub>2</sub>]AVP"	""	""	""	""	""	""
"2236"	"d(CH<sub>2</sub>)<sub>5</sub>[<small>D</small>-Ile<sup>2</sup>,Ile<sup>4</sup>]AVP"	""	"Peptide"	""	""	""	""	"135652091"	"3080966"	""	""	""	""	""	""	""	"(2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2R,3R)-3-methyl-2-[[(2S)-2-[[(2S,3S)-3-methyl-2-[[2-(2-sulfanylidenecyclohexyl)acetyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]butanediamide"	""	"&beta;-mercapto-&beta;,&beta;,cyclopentamethylenepropionyl[<small>D</small>-Ile<sup>2</sup>,Ile<sup>4</sup>]AVP|d(CH2)5[D-Ile2,Ile4]VP"	"CC[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CCCN=C(N)N)CS)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)CC1CCCCC1=S)Cc1ccccc1)C"	"CNWFVLCMGVAHSD-HAEBMLOOSA-N"	"InChI=1S/C49H77N13O10S2/c1-5-27(3)40(60-39(65)23-30-16-10-11-19-36(30)74)46(70)57-32(22-29-14-8-7-9-15-29)44(68)61-41(28(4)6-2)47(71)58-33(24-37(50)63)43(67)59-34(26-73)48(72)62-21-13-18-35(62)45(69)56-31(17-12-20-54-49(52)53)42(66)55-25-38(51)64/h7-9,14-15,27-28,30-35,40-41,73H,5-6,10-13,16-26H2,1-4H3,(H2,50,63)(H2,51,64)(H,55,66)(H,56,69)(H,57,70)(H,58,71)(H,59,67)(H,60,65)(H,61,68)(H4,52,53,54)/t27-,28+,30?,31-,32-,33-,34-,35-,40-,41+/m0/s1"	""	""	""
"2235"	"d(CH<sub>2</sub>)<sub>5</sub>[<small>D</small>-Ile<sup>2</sup>,Ile<sup>4</sup>,Tyr-NH<sub>2</sub><sup>9</sup>]AVP"	""	"Peptide"	""	""	""	""	"135652092"	"0"	""	""	""	""	""	""	""	""	""	"&beta;-mercapto-&beta;,&beta;,cyclopentamethylenepropionyl[<small>D</small>-Ile<sup>2</sup>,Ile<sup>4</sup>,Tyr-NH<sub>2</sub><sup>9</sup>]AVP"	""	""	""	""	""	""
"2237"	"d(CH<sub>2</sub>)<sub>5</sub>[<small>D</small>-Ile<sup>2</sup>,Val<sup>4</sup>,Tyr-NH<sub>2</sub><sup>9</sup>]AVP"	""	"Peptide"	""	""	""	""	"135652093"	"0"	""	""	""	""	""	""	""	""	""	"&beta;-mercapto-&beta;,&beta;,cyclopentamethylenepropionyl[<small>D</small>-Ile<sup>2</sup>,Val<sup>4</sup>,Tyr-NH<sub>2</sub><sup>9</sup>]AVP"	""	""	""	""	""	""
"2216"	"d(CH<sub>2</sub>)<sub>5</sub>[<small>D</small>-Tyr(Et)<sup>2</sup>,Val<sup>4</sup>,Tyr-NH<sub>2</sub><sup>9</sup>]AVP"	""	"Peptide"	""	""	""	""	"135652094"	"0"	""	""	""	""	""	""	""	""	""	"&beta;-mercapto-&beta;,&beta;,cyclopentamethylenepropionyl[<small>D</small>-Tyr(Et)<sup>2</sup>,Val<sup>4</sup>,Tyr-NH<sub>2</sub><sup>9</sup>]AVP"	""	""	""	""	""	""
"2217"	"d(CH<sub>2</sub>)<sub>5</sub>[Tyr(Et)<sup>2</sup>,Val<sup>4</sup>,des-Gly<sup>9</sup>]AVP"	""	"Peptide"	""	""	""	""	"135652095"	"122322"	""	""	""	""	""	""	""	"(2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22R)-13-(2-amino-2-oxoethyl)-22-[(4-ethoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-19-(phenylmethyl)-16-propan-2-yl7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide"	""	"dGTyr(Et)VAVP|Mcp-tva-argipressin|SK&F 101926|SK&F 10196"	"CCOc1ccc(cc1)C[C@H]1NC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccccc1)C(C)C)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)CCCN=C(N)N"	"DRLYXDZRLDZVIS-XXNQTUAPSA-N"	"InChI=1S/C51H74N12O10S2/c1-4-73-33-19-17-32(18-20-33)26-35-44(67)59-36(25-31-13-7-5-8-14-31)46(69)62-42(30(2)3)48(71)60-37(27-40(52)64)45(68)61-38(29-74-75-51(28-41(65)57-35)21-9-6-10-22-51)49(72)63-24-12-16-39(63)47(70)58-34(43(53)66)15-11-23-56-50(54)55/h5,7-8,13-14,17-20,30,34-39,42H,4,6,9-12,15-16,21-29H2,1-3H3,(H2,52,64)(H2,53,66)(H,57,65)(H,58,70)(H,59,67)(H,60,71)(H,61,68)(H,62,69)(H4,54,55,56)/t34-,35+,36-,37-,38-,39-,42-/m0/s1"	""	""	""
"3867"	"d(CH<sub>2</sub>)<sub>5</sub>[Tyr(Me)<sup>2</sup>,Arg<sup>8</sup>]VP"	""	"Peptide"	""	""	""	""	"178100705"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2223"	"d(CH<sub>2</sub>)<sub>5</sub>[Tyr(Me)<sup>2</sup>]AVP"	""	"Peptide"	""	""	""	""	"135652096"	"6917952"	""	""	""	""	""	""	""	"(2R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22R)-13-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-19-(phenylmethyl)7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide"	""	"CGP-25838|d(CH2)5Tyr(Me)AVP|d(CH<sub>2</sub>)<sub>5</sub>[O-methyl-Tyr<sup>2</sup>]AVP|Pmp[Tyr(Me)<sup>2</sup>]AVP|SKF-100273|SKF100273"	"COc1ccc(cc1)C[C@H]1NC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccccc1)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CCCN=C(N)N"	"QVQOGNOOAMQKCE-OVSZNHMYSA-N"	"InChI=1S/C52H74N14O12S2/c1-78-32-16-14-31(15-17-32)25-35-46(73)63-36(24-30-10-4-2-5-11-30)47(74)61-34(18-19-40(53)67)45(72)64-37(26-41(54)68)48(75)65-38(29-79-80-52(27-43(70)60-35)20-6-3-7-21-52)50(77)66-23-9-13-39(66)49(76)62-33(12-8-22-58-51(56)57)44(71)59-28-42(55)69/h2,4-5,10-11,14-17,33-39H,3,6-9,12-13,18-29H2,1H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,59,71)(H,60,70)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)(H4,56,57,58)/t33-,34-,35+,36-,37-,38-,39+/m0/s1"	""	""	""
"2222"	"d(CH<sub>2</sub>)<sub>5</sub>[Tyr(Me)<sup>2</sup>,Thr<sup>4</sup>]OVT"	""	"Peptide"	""	""	""	""	"135652097"	"0"	""	""	""	""	""	""	""	""	""	"d(CH<sub>2</sub>)<sub>5</sub>[O-Me-Tyr<sup>2</sup>,Thr<sup>4</sup>,Orn<sup>8</sup>]vasotocin|d(CH<sub>2</sub>)<sub>5</sub>[O-Me-Tyr<sup>2</sup>,Thr<sup>4</sup>]ornithine&nbsp;vasotocin|d(CH<sub>2</sub>)<sub>5</sub>[O-Me-Tyr<sup>2</sup>-The<sup>4</sup>-Orn<sup>8</sup>]vasotocin"	""	""	""	""	""	""
"2219"	"d(CH<sub>2</sub>)<sub>5</sub>[Tyr(Me)<sup>2</sup>,Thr<sup>4</sup>,Phe(3I,4N<sub>3</sub>)-NH<sub>2</sub><sup>9</sup>]OVT"	""	"Peptide"	""	""	""	""	"135652098"	"0"	""	""	""	""	""	""	""	""	""	"d(CH<sub>2</sub>)<sub>5</sub>[Tyr(Me)<sub>2</sub>,Thr<sup>4</sup>,Orn<sup>8</sup>,Phe(3I,4N<sub>3</sub>)-NH<sub>2</sub><sup>9</sup>]vasotocin|I-ZOTA"	""	""	""	""	""	""
"2218"	"d(CH<sub>2</sub>)<sub>5</sub>[Tyr(Me)<sup>2</sup>,Thr<sup>4</sup>,Phe(3<sup>125</sup>I,4N<sub>3</sub>)-NH<sub>2</sub><sup>9</sup>]OVT"	""	"Peptide"	""	""	"yes"	"yes"	"135652099"	"0"	""	""	""	""	""	""	""	""	""	"&beta;-mercapto-&beta;,&beta;,cyclopentamethylenepropionyl[Tyr(Me)<sub>2</sub>,Thr<sup>4</sup>,Phe(3<sup>125</sup>I,4N<sub>3</sub>)-NH<sub>2</sub><sup>9</sup>]OVT|[<sup>125</sup>I]ZOTA|d(CH<sub>2</sub>)<sub>5</sub>[Tyr(Me)<sub>2</sub>,Thr<sup>4</sup>,Orn<sup>8</sup>,Phe(3<sup>125</sup>I,4N<sub>3</sub>)-NH<sub>2</sub><sup>9</sup>]vasotocin"	""	""	""	""	""	""
"2220"	"d(CH<sub>2</sub>)<sub>5</sub>[Tyr(Me)<sup>2</sup>,Thr<sup>4</sup>,Tyr(3<sup>125</sup>I)-NH<sub>2</sub><sup>9</sup>]OVT"	""	"Peptide"	""	""	"yes"	"yes"	"135652100"	"0"	""	""	""	""	""	""	""	""	""	"[<sup>125</sup>I]D-(CH<sub>2</sub>)<sub>5</sub>[Tyr(Me)<sup>2</sup>,Thr<sup>4</sup>,Tyr-NH<sub>2</sub><sup>9</sup>]ornithine&nbsp;vasotocin|[<sup>125</sup>I]OTA"	""	""	""	""	""	""
"2221"	"d(CH<sub>2</sub>)<sub>5</sub>[Tyr(Me)<sup>2</sup>,Thr<sup>4</sup>,Tyr-NH<sub>2</sub><sup>9</sup>]OVT"	""	"Peptide"	""	""	""	""	"135652101"	"0"	""	""	""	""	""	""	""	""	""	"&beta;-mercapto-&beta;,&beta;,cyclopentamethylenepropionyl[Tyr(Me)<sup>2</sup>,Thr<sup>4</sup>,Tyr-NH<sub>2</sub><sup>9</sup>]OVT|d(CH<sub>2</sub>)5[O-Me-Tyr<sup>2</sup>-Thr<sup>4</sup>-Orn<sup>8</sup>-Tyr<sup>9</sup>-NH<sub>2</sub>]vasotocin|Pmp[Tyr(Me)<sup>2</sup>,Thr<sup>4</sup>,Tyr-NH<sub>2</sub><sup>9</sup>]ornithine&nbsp;vasotocin"	""	""	""	""	""	""
"4683"	"D-citrulline"	""	"Metabolite"	""	""	""	""	"178101397"	"637599"	""	""	""	""	""	""	""	"(2R)-2-amino-5-(carbamoylamino)pentanoic acid"	""	""	"NC(=O)NCCC[C@H](C(=O)O)N"	"RHGKLRLOHDJJDR-SCSAIBSYSA-N"	"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m1/s1"	""	""	""
"11114"	"DCLK1-IN-1"	""	"Synthetic organic"	""	""	""	""	"434122174"	"134457640"	""	""	""	""	""	""	""	"2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-11-methyl-5-(2,2,2-trifluoroethyl)pyrimido[4,5-b][1,4]benzodiazepin-6-one"	""	"compound 4 [PMID: 32251410]"	"COc1cc(ccc1Nc1ncc2c(n1)n(C)c1ccccc1c(=O)n2CC(F)(F)F)N1CCN(CC1)C"	"OQFCHSFVWSLDAO-UHFFFAOYSA-N"	"InChI=1S/C26H28F3N7O2/c1-33-10-12-35(13-11-33)17-8-9-19(22(14-17)38-3)31-25-30-15-21-23(32-25)34(2)20-7-5-4-6-18(20)24(37)36(21)16-26(27,28)29/h4-9,14-15H,10-13,16H2,1-3H3,(H,30,31,32)"	""	""	""
"4174"	"DCPIB"	""	"Synthetic organic"	""	""	""	""	"178100994"	"10071166"	""	""	"CHEMBL152557"	""	""	""	""	"4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid"	""	"4-(2-butyl-6,7-dichlor-2-cyclopentyl-indan-1-on-5-yl) oxybutyric acid"	"CCCCC1(Cc2c(C1=O)c(Cl)c(c(c2)OCCCC(=O)O)Cl)C1CCCC1"	"KHKGTPJPBOQECW-UHFFFAOYSA-N"	"InChI=1S/C22H28Cl2O4/c1-2-3-10-22(15-7-4-5-8-15)13-14-12-16(28-11-6-9-17(25)26)19(23)20(24)18(14)21(22)27/h12,15H,2-11,13H2,1H3,(H,25,26)"	""	""	""
"14549"	"dCX1_001"	""	"Peptide"	""	""	""	""	"528429870"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9489"	"D-cycloserine"	""	"Synthetic organic"	"yes"	""	""	""	"329968429"	"6234"	""	""	"CHEMBL771"	""	""	""	""	"(4R)-4-amino-1,2-oxazolidin-3-one"	"cycloserine"	"Seromycin&reg;"	"N[C@@H]1CONC1=O"	"DYDCUQKUCUHJBH-UWTATZPHSA-N"	"InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1"	""	""	"yes"
"5810"	"[D-Cys(<sup><i>t</sup></i>Bu)<sup>5</sup>]NPS"	""	"Peptide"	""	""	""	""	"178102435"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4537"	"D-cysteine"	""	"Metabolite"	""	""	""	""	"178101258"	"92851"	""	""	"CHEMBL171281"	""	""	""	""	"(2S)-2-amino-3-sulfanylpropanoic acid"	""	"D-Cys"	"N[C@@H](C(=O)O)CS"	"XUJNEKJLAYXESH-UWTATZPHSA-N"	"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1"	""	""	""
"10535"	"DD-03-171"	""	"Synthetic organic"	""	""	""	""	"387065617"	"138059681"	""	""	""	""	""	""	""	"4-tert-butyl-N-[3-[6-[4-[4-[6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexyl]piperazine-1-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide"	""	""	"O=C(CNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCCCN1CCN(CC1)C(=O)c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1ccc(cc1)C(C)(C)C"	"QBPVFCNYKUENHU-UHFFFAOYSA-N"	"InChI=1S/C55H62N10O8/c1-34-39(12-10-14-41(34)60-49(68)35-16-20-37(21-17-35)55(2,3)4)43-33-62(5)54(73)48(59-43)58-38-22-18-36(19-23-38)51(70)64-30-28-63(29-31-64)27-9-7-6-8-26-56-46(67)32-57-42-15-11-13-40-47(42)53(72)65(52(40)71)44-24-25-45(66)61-50(44)69/h10-23,33,44,57H,6-9,24-32H2,1-5H3,(H,56,67)(H,58,59)(H,60,68)(H,61,66,69)"	""	""	""
"11455"	"DDD85646"	""	"Synthetic organic"	""	""	""	""	"440816824"	"44199337"	""	""	"CHEMBL1230468"	""	""	""	""	"2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide"	""	"compound 1a [PMID: 24451586]|IMP-366"	"Cc1nn(c(c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)c1ccnc(c1)N1CCNCC1)C)C"	"XMBSZPZJLPTFMV-UHFFFAOYSA-N"	"InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-25-19(12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3"	""	"yes"	""
"12785"	"DDO-3055"	""	"Synthetic organic"	""	""	""	""	"483123333"	"129027150"	""	""	"CHEMBL4162752"	""	""	""	""	"2-[[5-[3-(4-chlorophenoxy)prop-1-ynyl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid"	""	"compound 17 [PMID: 32787144]|DDO3055"	"OC1=CC(C#CCOC2=CC=C(Cl)C=C2)=CN=C1C(NCC(O)=O)=O"	"AIKDJELJHUPYNG-UHFFFAOYSA-N"	"InChI=1S/C17H13ClN2O5/c18-12-3-5-13(6-4-12)25-7-1-2-11-8-14(21)16(19-9-11)17(24)20-10-15(22)23/h3-6,8-9,21H,7,10H2,(H,20,24)(H,22,23)"	""	""	""
"10105"	"DDR1/2 inhibitor 5n"	""	"Synthetic organic"	""	""	""	""	"381118815"	"134693894"	""	""	""	""	""	""	""	"3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide"	""	""	"CN1CCN(CC1)Cc1cc(NC(=O)c2ccc(c(c2)C#Cc2cnc3n2ccnc3)C(C)C)cc(c1)C(F)(F)F"	"IUGBGEUCXVKGQK-UHFFFAOYSA-N"	"InChI=1S/C31H31F3N6O/c1-21(2)28-7-5-24(16-23(28)4-6-27-18-36-29-19-35-8-9-40(27)29)30(41)37-26-15-22(14-25(17-26)31(32,33)34)20-39-12-10-38(3)11-13-39/h5,7-9,14-19,21H,10-13,20H2,1-3H3,(H,37,41)"	"yes"	""	""
"14107"	"DDR1 inhibitor 7rh"	""	"Synthetic organic"	""	""	""	""	"518520734"	"71550931"	""	""	"CHEMBL2336015"	""	""	""	""	"4-ethyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide"	""	""	"C(C)C1=C(C=C(C(=O)NC2=CC(=CC(=C2)C(F)(F)F)CN3CCN(CC3)C)C=C1)C#CC=4C=NC=5N(C4)N=CC5"	"DDLPXZXBWGJRGK-UHFFFAOYSA-N"	"InChI=1S/C30H29F3N6O/c1-3-23-6-7-25(16-24(23)5-4-21-18-34-28-8-9-35-39(28)20-21)29(40)36-27-15-22(14-26(17-27)30(31,32)33)19-38-12-10-37(2)11-13-38/h6-9,14-18,20H,3,10-13,19H2,1-2H3,(H,36,40)"	""	""	""
"9354"	"DDR-IN-1"	""	"Synthetic organic"	""	""	""	""	"328083456"	"72836888"	""	""	"CHEMBL3421914"	""	""	""	""	""	""	""	"CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(c(c1)Oc1ccc2c(c1)CC(=O)N2)C"	"AOZPVMOOEJAZGK-UHFFFAOYSA-N"	"InChI=1S/C30H31F3N4O3/c1-3-36-10-12-37(13-11-36)18-21-6-5-20(15-25(21)30(31,32)33)29(39)34-23-7-4-19(2)27(17-23)40-24-8-9-26-22(14-24)16-28(38)35-26/h4-9,14-15,17H,3,10-13,16,18H2,1-2H3,(H,34,39)(H,35,38)"	""	""	""
"12967"	"DDTPA"	""	"Synthetic organic"	""	""	""	""	"485206088"	"68020375"	""	""	""	""	""	""	""	"3-[4-(3-chloro-4-propan-2-yloxyanilino)-3-[(4-methylphenyl)methyl]-2,6-dioxo-1,3,5-triazin-1-yl]propanoic acid"	""	"compound 74 [PMID: 33540044]"	"ClC=1C=C(C=CC1OC(C)C)NC=2N(C(N(C(N2)=O)CCC(=O)O)=O)CC3=CC=C(C=C3)C"	"KRHNDEFYSFIWAD-UHFFFAOYSA-N"	"InChI=1S/C23H25ClN4O5/c1-14(2)33-19-9-8-17(12-18(19)24)25-21-26-22(31)27(11-10-20(29)30)23(32)28(21)13-16-6-4-15(3)5-7-16/h4-9,12,14H,10-11,13H2,1-3H3,(H,29,30)(H,25,26,31)"	""	""	""
"10755"	"DEBIO 1452"	""	"Synthetic organic"	""	""	""	""	"405560196"	"10407120"	""	""	"CHEMBL1652621"	""	""	""	""	"(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide"	""	"afabicin desphosphono|AFN-1252|AFN-12520000|DEBIO-1452|DEBIO1452"	"O=C1CCc2c(N1)ncc(c2)/C=C/C(=O)N(Cc1oc2c(c1C)cccc2)C"	"QXTWSUQCXCWEHF-JXMROGBWSA-N"	"InChI=1S/C22H21N3O3/c1-14-17-5-3-4-6-18(17)28-19(14)13-25(2)21(27)10-7-15-11-16-8-9-20(26)24-22(16)23-12-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,24,26)/b10-7+"	""	""	"yes"
"14297"	"Debio 1453"	""	"Synthetic organic"	""	""	""	""	"521588937"	"146571979"	""	""	""	""	""	""	""	"(E)-3-[(2R,3S)-3-hydroxy-2-methyl-4-oxo-1,2,3,5-tetrahydropyrido[2,3-b][1,4]diazepin-8-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide"	""	""	"C[C@@H]1[C@@H](C(=O)NC2=C(N1)C=C(C=N2)/C=C/C(=O)N(C)CC3=C(C4=CC=CC=C4O3)C)O"	"YEFHSSWFLULRED-UGZSOSCUSA-N"	"InChI=1S/C23H24N4O4/c1-13-16-6-4-5-7-18(16)31-19(13)12-27(3)20(28)9-8-15-10-17-22(24-11-15)26-23(30)21(29)14(2)25-17/h4-11,14,21,25,29H,12H2,1-3H3,(H,24,26,30)/b9-8+/t14-,21+/m1/s1"	""	""	"yes"
"5532"	"decanoic acid"	""	"Metabolite"	""	""	""	""	"178102174"	"2969"	""	""	"CHEMBL107498"	""	""	""	""	"Decanoic acid"	""	"capric acid|decoic acid"	"CCCCCCCCCC(=O)O"	"GHVNFZFCNZKVNT-UHFFFAOYSA-N"	"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)"	""	""	""
"11258"	"decanoyl-RVKR-chloromethylketone"	""	"Synthetic organic"	""	""	""	""	"434321693"	"9962075"	""	""	""	""	""	""	""	""	""	"decanoyl-Arg-Val-Lys-Arg-CMK|Decanoyl-RVKR-CMK"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)CCl)CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CCCCCCCCC)CCCNC(=N)N"	"NHBJTTGFHCHQHS-VZTVMPNDSA-N"	"InChI=1S/C34H66ClN11O5/c1-4-5-6-7-8-9-10-18-28(48)43-25(17-14-21-42-34(39)40)31(50)46-29(23(2)3)32(51)45-26(15-11-12-19-36)30(49)44-24(27(47)22-35)16-13-20-41-33(37)38/h23-26,29H,4-22,36H2,1-3H3,(H,43,48)(H,44,49)(H,45,51)(H,46,50)(H4,37,38,41)(H4,39,40,42)/t24-,25-,26-,29-/m0/s1"	""	""	""
"10968"	"decaplanin"	""	"Synthetic organic"	""	""	""	""	"405560409"	"195570"	""	""	""	""	""	""	""	""	""	"M 861410|M86-1410|MM-47761"	"OCC1OC(Oc2c3Oc4ccc(cc4)C(OC4CC(C)(N)C(C(O4)C)O)C4NC(=O)C(NC(=O)C5c(c3)cc2Oc2ccc(cc2Cl)C(O)C(C(=O)NC(C(=O)N5)CC(=O)N)NC(=O)C(CC(C)C)NC)c2ccc(c(c2)c2c(C(NC4=O)C(=O)O)cc(cc2O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O"	"SJSZMXQSCZCGFO-UHFFFAOYSA-N"	"InChI=1S/C72H86ClN9O28/c1-25(2)15-37(76-6)63(95)81-51-54(89)30-10-14-41(36(73)17-30)106-43-19-31-18-42(60(43)109-71-61(57(92)55(90)44(24-83)107-71)110-70-58(93)56(91)53(88)26(3)104-70)105-33-11-7-28(8-12-33)59(108-46-23-72(5,75)62(94)27(4)103-46)52-68(100)80-50(69(101)102)35-20-32(84)21-40(86)47(35)34-16-29(9-13-39(34)85)48(65(97)82-52)79-66(98)49(31)78-64(96)38(22-45(74)87)77-67(51)99/h7-14,16-21,25-27,37-38,44,46,48-59,61-62,70-71,76,83-86,88-94H,15,22-24,75H2,1-6H3,(H2,74,87)(H,77,99)(H,78,96)(H,79,98)(H,80,100)(H,81,95)(H,82,97)(H,101,102)"	""	""	"yes"
"2459"	"decavanadate"	""	"Inorganic"	""	""	""	""	"135652750"	"5311062"	""	""	""	""	""	""	""	""	""	"decavanidate"	"[O-][V](=O)(O[V]1(=O)O[V]2(=O)O[V](=O)(O[V]3(=O)O[V](=O)(O1)O[V](=O)(O3)O[V](=O)([O-])[O-])O[V](=O)(O2)O[V](=O)([O-])[O-])[O-]"	"OSBWBKHFRWKREF-UHFFFAOYSA-N"	"InChI=1S/28O.10V/q;;;;;;;;;;;;;;;;;;;;;;6*-1;;;;;;;;;;"	""	""	""
"8309"	"decernotinib"	""	"Synthetic organic"	""	""	""	""	"252166521"	"59422203"	""	""	"CHEMBL3039513"	""	""	""	""	"(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide"	"decernotinib"	"adelatinib|VRT-831509|VX-509"	"CC[C@](C(=O)NCC(F)(F)F)(Nc1ccnc(n1)c1c[nH]c2c1cccn2)C"	"ASUGUQWIHMTFJL-QGZVFWFLSA-N"	"InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1"	"yes"	""	""
"6805"	"decitabine"	""	"Synthetic organic"	"yes"	""	""	""	"178103411"	"451668"	""	""	"CHEMBL1201129"	""	""	""	""	"4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one"	"decitabine"	"5-azadeoxycytidine|ASTX-727|ASTX727 (decitabine +  cedazuridine)|azadC|DAC|Dacogen&reg;|Inqovi&reg;  (decitabine +  cedazuridine)"	"OC[C@H]1O[C@H](C[C@@H]1O)n1cnc(nc1=O)N"	"XAUDJQYHKZQPEU-KVQBGUIXSA-N"	"InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1"	""	""	""
"12128"	"declovanillobiocin"	""	"Natural product"	""	""	""	""	"472319250"	"54697399"	""	""	"CHEMBL1275888"	""	""	""	""	"[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[(4-hydroxy-3-methoxybenzoyl)amino]-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate"	""	"novclobiocin 313"	"Cc1ccc([nH]1)C(=O)O[C@H]1[C@H]([C@@H](OC([C@@H]1OC)(C)C)Oc1cc2c(cc1)c(c(c(=O)o2)NC(=O)c1cc(c(cc1)O)OC)O)O"	"JURYCYSCKRZQLD-YYZJCXNBSA-N"	"InChI=1S/C31H32N2O12/c1-14-6-10-18(32-14)28(38)44-25-24(36)30(45-31(2,3)26(25)41-5)42-16-8-9-17-20(13-16)43-29(39)22(23(17)35)33-27(37)15-7-11-19(34)21(12-15)40-4/h6-13,24-26,30,32,34-36H,1-5H3,(H,33,37)/t24-,25+,26-,30-/m1/s1"	""	""	"yes"
"8714"	"dectrekumab"	""	"Antibody"	""	""	""	""	"252827372"	"0"	""	""	""	""	""	""	""	""	"dectrekumab"	"QAX-576|QAX576"	""	""	""	"yes"	""	""
"4030"	"decyl dihydrogen phosphate"	""	"Synthetic organic"	""	""	""	""	"178100856"	"62532"	""	""	"CHEMBL361255"	""	""	""	""	"Decyl dihydrogen phosphate"	""	"decanol phosphate|decyl phosphate|FAP-10|FAP10|n-decyl phosphoric acid"	"CCCCCCCCCCOP(=O)(O)O"	"SCIGVHCNNXTQDB-UHFFFAOYSA-N"	"InChI=1S/C10H23O4P/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)"	""	""	""
"8482"	"decynium 22"	""	"Synthetic organic"	""	""	""	""	"252166690"	"75463"	""	""	"CHEMBL1197556"	""	""	""	""	""	""	"1,1'-diethyl-2,2'-cyanine|D-22|decynium-22|Dy22|GNF-Pf-1919|GNF-Pf-4440|NSC-97374|pseudoisocyanine"	"CC[n+]1c(ccc2c1cccc2)C=c1ccc2c(n1CC)cccc2"	"AGJZCWVTGOVGBS-UHFFFAOYSA-N"	"InChI=1S/C23H23N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-17H,3-4H2,1-2H3/q+1"	""	""	""
"7910"	"defactinib"	""	"Synthetic organic"	"yes"	""	""	""	"249565593"	"25117126"	""	""	"CHEMBL3137331"	""	""	""	""	"N-methyl-4-((4-(((3-(N-methylmethylsulfonamido)pyrazin-2-yl)methyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzamide"	"defactinib"	"Avmapki Fakzynja (avutometinib + defactinib co-pack)|PF-04554878|VS-6063"	"CNC(=O)c1ccc(cc1)Nc1ncc(c(n1)NCc1nccnc1N(S(=O)(=O)C)C)C(F)(F)F"	"FWLMVFUGMHIOAA-UHFFFAOYSA-N"	"InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)"	""	""	""
"7456"	"deferiprone"	""	"Synthetic organic"	"yes"	""	""	""	"187051759"	"2972"	""	""	"CHEMBL70927"	""	""	""	""	"3-hydroxy-1,2-dimethylpyridin-4-one"	"deferiprone"	"APO-66|CP20|Ferriprox&reg;"	"Cn1ccc(=O)c(c1C)O"	"TZXKOCQBRNJULO-UHFFFAOYSA-N"	"InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3"	""	""	""
"9087"	"defibrotide"	""	"Natural product"	"yes"	""	""	""	"315661172"	"0"	""	""	""	""	""	""	""	""	"defibrotide"	"Defitelio&reg;"	""	""	""	""	""	""
"9477"	"deflazacort"	""	"Synthetic organic"	"yes"	""	""	""	"329968417"	"189821"	""	""	""	""	""	""	""	""	""	"Emflaza&reg;|MDL 458"	"CC(=O)OCC(=O)[C@@]12N=C(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)C"	"FBHSPRKOSMHSIF-GRMWVWQJSA-N"	"InChI=1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1"	"yes"	""	""
"9024"	"defoslimod"	""	"Synthetic organic"	""	""	""	""	"315661109"	"656812"	""	""	"CHEMBL2105854"	""	""	""	""	""	"defoslimod"	"OM 174|OM-174"	"CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C[C@@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)O)OP(=O)(O)O)OP(=O)(O)O)O"	"GOWLTLODGKPXMN-MEKRSRHXSA-N"	"InChI=1S/C52H100N2O20P2/c1-4-7-10-13-16-19-22-25-28-31-38(56)34-42(57)53-45-48(61)47(60)41(72-52(45)74-76(66,67)68)37-69-51-46(49(62)50(40(36-55)71-51)73-75(63,64)65)54-43(58)35-39(32-29-26-23-20-17-14-11-8-5-2)70-44(59)33-30-27-24-21-18-15-12-9-6-3/h38-41,45-52,55-56,60-62H,4-37H2,1-3H3,(H,53,57)(H,54,58)(H2,63,64,65)(H2,66,67,68)/t38-,39+,40-,41-,45-,46-,47-,48-,49-,50-,51-,52-/m1/s1"	"yes"	""	""
"5585"	"degarelix"	""	"Peptide"	"yes"	""	""	""	"178102220"	"16136245"	""	""	"CHEMBL415606"	""	""	""	""	""	"degarelix"	"FE200486|Firmagon&reg;"	"OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N)C)CCCCNC(C)C)CC(C)C)Cc1ccc(cc1)NC(=O)N)Cc1ccc(cc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1"	"MEUCPCLKGZSHTA-XYAYPHGZSA-N"	"InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1"	""	""	""
"4733"	"dehydroascorbic acid"	""	"Metabolite"	""	""	""	""	"178101444"	"440667"	""	""	""	""	""	""	""	"(5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione"	""	"dehydroascorbate"	"OC[C@@H]([C@H]1OC(=O)C(=O)C1=O)O"	"SBJKKFFYIZUCET-JLAZNSOCSA-N"	"InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1"	""	""	""
"2370"	"dehydroepiandrosterone"	""	"Metabolite"	"yes"	""	""	""	"135651466"	"5881"	""	""	"CHEMBL90593"	""	""	""	""	"(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one"	"prasterone"	"androstenolone|dehydroepiandrostenedione|DHA|DHEA|Intrarosa&reg;|Prasterone"	"O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C"	"FMGSKLZLMKYGDP-USOAJAOKSA-N"	"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1"	""	""	""
"4528"	"dehydroepiandrosterone sulphate"	""	"Metabolite"	""	""	""	""	"178101249"	"20057076"	""	""	""	""	""	""	""	"(1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl sulfate"	""	"CCG-204473|DHEAS"	"O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)[O-]"	"CZWCKYRVOZZJNM-USOAJAOKSA-M"	"InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/p-1/t13-,14-,15-,16-,18-,19-/m0/s1"	""	""	""
"14018"	"dehydrosoyasaponin I"	""	"Natural product"	""	""	""	""	"518520645"	"656760"	""	""	"CHEMBL5282884"	""	""	""	""	"(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid"	""	"Dehydrosoyasaponin I|Dehydrosoyasaponin-1|DHS-I|Soyasaponin Be"	"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@H]4CC[C@]5([C@H]([C@@]4(C)CO)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@@]8([C@H]7CC(CC8=O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O"	"CROUPKILZUPLQA-ITVSDQETSA-N"	"InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1"	""	""	""
"10799"	"delafloxacin"	""	"Synthetic organic"	"yes"	""	""	""	"405560240"	"487101"	""	""	"CHEMBL2105637"	""	""	""	""	"1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid"	"delafloxacin"	"Abbott 492|ABT-492|ABT492|Baxdela&reg;|Quofenix&reg;"	"OC1CN(C1)c1c(F)cc2c(c1Cl)n(cc(c2=O)C(=O)O)c1nc(N)c(cc1F)F"	"DYDCPNMLZGFQTM-UHFFFAOYSA-N"	"InChI=1S/C18H12ClF3N4O4/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30)"	""	""	"yes"
"12876"	"delamanid"	""	"Synthetic organic"	"yes"	""	""	""	"485205997"	"6480466"	""	""	"CHEMBL218650"	""	""	""	""	"(2R)-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole"	"delamanid"	"Deltyba&reg;|OPC-67683"	"C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OC5=CC=C(C=C5)OC(F)(F)F"	"XDAOLTSRNUSPPH-XMMPIXPASA-N"	"InChI=1S/C25H25F3N4O6/c1-24(15-31-14-22(32(33)34)29-23(31)38-24)16-35-18-4-2-17(3-5-18)30-12-10-20(11-13-30)36-19-6-8-21(9-7-19)37-25(26,27)28/h2-9,14,20H,10-13,15-16H2,1H3/t24-/m1/s1"	""	""	"yes"
"12674"	"delavirdine"	""	"Synthetic organic"	"yes"	""	""	""	"483123222"	"5625"	""	""	"CHEMBL593"	""	""	""	""	"N-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide"	"delavirdine"	"DLV|Rescriptor&reg;|U-90152|U90152"	"CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C"	"WHBIGIKBNXZKFE-UHFFFAOYSA-N"	"InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3"	""	""	""
"7840"	"delcasertib"	""	"Peptide"	""	""	""	""	"223366171"	"56843747"	""	""	""	""	""	""	""	""	"delcasertib"	"BMS-875944|CS-9803|KAI-9803"	""	""	""	""	""	""
"9619"	"delgocitinib"	""	"Synthetic organic"	"yes"	""	""	""	"340590249"	"50914062"	""	""	""	""	""	""	""	""	"delgocitinib"	"Anzupgo&reg;|Corectim&reg;|ent-60|JTE-052|JTE052"	"N#CCC(=O)N1C[C@@H]([C@]21CCN(C2)c1ncnc2c1cc[nH]2)C"	"LOWWYYZBZNSPDT-ZBEGNZNMSA-N"	"InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1"	"yes"	""	""
"14255"	"delpacibart"	""	"Antibody"	""	""	""	""	"521588895"	"0"	""	""	""	""	""	""	""	""	"delpacibart"	""	""	""	""	""	""	""
"14729"	"delpacibart braxlosiran"	""	"Nucleic acid"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"delpacibart braxlosiran"	"AOC 1020|AOC-1020|del-brax"	""	""	""	""	""	""
"14730"	"delpacibart etedesiran"	""	"Nucleic acid"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"delpacibart etedesiran"	"AOC 1001|AOC-1001|del-desiran"	""	""	""	""	""	""
"10999"	"delpazolid"	""	"Synthetic organic"	""	""	""	""	"405560440"	"44205191"	""	""	"CHEMBL1673408"	""	""	""	""	"(5R)-3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one"	"delpazolid"	"LCB-01,0371|LCB-01-0371|LCB01-0371"	"OC[C@H]1CN(C(=O)O1)c1ccc(c(c1)F)N1CCN(N=C1)C"	"QLUWQAFDTNAYPN-LLVKDONJSA-N"	"InChI=1S/C14H17FN4O3/c1-17-4-5-18(9-16-17)13-3-2-10(6-12(13)15)19-7-11(8-20)22-14(19)21/h2-3,6,9,11,20H,4-5,7-8H2,1H3/t11-/m1/s1"	""	""	"yes"
"11091"	"&Delta;9-Tetrahydrocannabinolic acid"	""	"Natural product"	""	""	""	""	"434122152"	"98523"	""	""	"CHEMBL465718"	""	""	""	""	"(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid"	""	"&Delta;9-tetrahydrocannabinolic acid|9-Carboxy-THC|Delta(9)-tetrahydrocannabinolic acid|THCA"	"CCCCCc1cc2OC(C)(C)[C@H]3[C@H](c2c(c1C(=O)O)O)C=C(CC3)C"	"UCONUSSAWGCZMV-HZPDHXFCSA-N"	"InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/t15-,16-/m1/s1"	""	""	""
"7569"	"&delta;-hexatoxin-Mg1a"	""	"Peptide"	""	""	""	""	"223365905"	"0"	"P83560"	""	""	""	""	""	""	""	""	"Delta-HXTX-Mg1a|neurotoxin magi-4"	""	""	""	""	""	""
"10560"	"delta like canonical Notch ligand 3"	"Human"	"Peptide"	""	""	""	""	"404859007"	"0"	"Q9NYJ7"	"ENSG00000090932"	""	""	""	""	""	""	""	"DLL3|SCDO1"	""	""	""	""	""	""
"8452"	"delta like canonical Notch ligand 4"	"Human"	"Peptide"	""	""	""	""	"252166662"	"0"	"Q9NR61"	"ENSG00000128917"	""	""	""	""	""	""	""	"DLL4"	""	""	""	""	""	""
"11916"	"&Delta;R3/I5"	""	"Peptide"	""	""	""	""	"461663471"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1876"	"&Delta;<sup>12</sup>-PGJ<sub>2</sub>"	""	"Metabolite"	""	""	""	""	"135651467"	"5280885"	""	""	"CHEMBL519797"	""	""	""	""	"(Z)-7-[(1S,5E)-5-[(3S)-3-hydroxyoctylidene]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid"	""	"Dddd-PGD2|delta(12)-PGJ2|delta-12-prostaglandin D2"	"CCCCC[C@@H](C/C=C/1\[C@@H](C/C=C\CCCC(=O)O)C=CC1=O)O"	"TUXFWOHFPFBNEJ-GJGHEGAFSA-N"	"InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14+/t16-,17-/m0/s1"	""	""	""
"2424"	"&Delta;<sup>9</sup>-tetrahydrocannabinol"	""	"Natural product"	"yes"	""	""	""	"135651250"	"16078"	""	""	"CHEMBL465"	""	""	""	""	"(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol"	"dronabinol"	"&Delta;<sup>9</sup>-THC|Abbott 40566|delta9-THC|Marinol&reg;|tetrahydrocannabinol|THC"	"CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C"	"CYQFCXCEBYINGO-IAGOWNOFSA-N"	"InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1"	""	""	""
"1615"	"deltorphin II"	""	"Peptide"	""	""	""	""	"135650166"	"14840431"	""	""	"CHEMBL29078"	""	""	""	""	"(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid"	""	"(Ala(2))deltorphin II|(Ala(2),glu(4))deltorphin|Delt II|Delt-II"	"OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N)C(C)C)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C)Cc1ccccc1"	"NUNBRHVOPFWRRG-LJXGPVSSSA-N"	"InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1"	""	""	""
"8817"	"D-e-MAPP"	""	"Synthetic organic"	""	""	""	""	"315661098"	"124735"	""	""	"CHEMBL429926"	""	""	""	""	"N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide"	""	"D-erythro-MAPP"	"CCCCCCCCCCCCCC(=O)N[C@@H]([C@H](c1ccccc1)O)C"	"YLAZEWZHIRBZDA-NFBKMPQASA-N"	"InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-16-19-22(25)24-20(2)23(26)21-17-14-13-15-18-21/h13-15,17-18,20,23,26H,3-12,16,19H2,1-2H3,(H,24,25)/t20-,23-/m1/s1"	""	""	""
"8451"	"demcizumab"	""	"Antibody"	""	""	""	""	"252166661"	"0"	""	""	""	""	""	""	""	""	"demcizumab"	"OMP-21M18|OMP21M18"	""	""	""	""	""	""
"10905"	"demeclocycline"	""	"Natural product"	"yes"	""	""	""	"405560346"	"54680690"	""	""	"CHEMBL1591"	""	""	""	""	"(4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide"	"demeclocycline"	"Declomycin&reg;|demethylchlortetracycline|Ledermycin&reg;"	"CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@H]1C(=C(O)c3c([C@H]1O)c(Cl)ccc3O)C2=O)O)O)C(=O)N)C"	"GUXHBMASAHGULD-SEYHBJAFSA-N"	"InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14-,15-,21-/m0/s1"	""	""	"yes"
"5636"	"demotate 2"	""	"Peptide"	""	""	""	""	"178102265"	"0"	""	""	""	""	""	""	""	""	""	"N(4) (0-1),Asp<sup>0</sup>,Tyr<sup>3</sup>-octreotate"	""	""	""	""	""	""
"12433"	"denatonium"	""	"Synthetic organic"	""	""	""	""	"479821224"	"15488"	""	""	"CHEMBL1738972"	""	""	""	""	"benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium"	""	""	"CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C"	"ZFQMTVNLDNXRNQ-UHFFFAOYSA-O"	"InChI=1S/C21H28N2O/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4/h7-14H,5-6,15-16H2,1-4H3/p+1"	""	""	""
"13780"	"dendrophenol"	""	"Natural product"	""	""	""	""	"507750413"	"176096"	""	""	"CHEMBL374047"	""	""	""	""	"4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,6-dimethoxyphenol"	""	"compound 24 [PMID: 34931827]|moscatilin"	"COC1=CC(=CC(=C1O)OC)CCC2=CC(=C(C=C2)O)OC"	"YTRAYUIKLRABOQ-UHFFFAOYSA-N"	"InChI=1S/C17H20O5/c1-20-14-8-11(6-7-13(14)18)4-5-12-9-15(21-2)17(19)16(10-12)22-3/h6-10,18-19H,4-5H2,1-3H3"	""	""	""
"2544"	"dendrotoxin-I"	""	"Peptide"	""	""	""	""	"135652103"	"0"	"P00979"	""	""	""	""	""	""	""	""	"dendrotoxin|dendrotoxin I|venom basic protease inhibitor 1"	""	""	""	""	""	""
"7738"	"dendrotoxin-k"	""	"Peptide"	""	""	""	""	"223366071"	"0"	"P00981"	""	""	""	""	""	""	""	""	"DTX-K|Kunitz-type serine protease inhibitor homolog dendrotoxin K|venom basic protease inhibitor K"	""	""	""	""	""	""
"14697"	"denecimig"	""	"Antibody"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"denecimig"	"Frehemgo&reg;|MIM-8|mim8|NN-7769|NN7769|NNC-0365-3769|NNC0365-3769"	""	""	""	""	""	""
"8108"	"denfivontinib"	""	"Synthetic organic"	""	""	""	""	"249565788"	"78357765"	""	""	"CHEMBL4544478"	""	""	""	""	"8-bromo-2-[(1-methylpiperidin-4-yl)amino]-4-(4-phenoxyanilino)-6H-pyrido[4,3-d]pyrimidin-5-one"	"denfivontinib"	"G-749|G749"	"CN1CCC(CC1)Nc1nc(Nc2ccc(cc2)Oc2ccccc2)c2c(n1)c(Br)c[nH]c2=O"	"SXWMIXPJPNCXQQ-UHFFFAOYSA-N"	"InChI=1S/C25H25BrN6O2/c1-32-13-11-17(12-14-32)29-25-30-22-20(26)15-27-24(33)21(22)23(31-25)28-16-7-9-19(10-8-16)34-18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3,(H,27,33)(H2,28,29,30,31)"	""	""	""
"14123"	"denifanstat"	""	"Synthetic organic"	""	""	""	""	"518520750"	"66548316"	""	""	"CHEMBL3661754"	""	""	""	""	"4-[1-[4-cyclobutyl-2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]piperidin-4-yl]benzonitrile"	"denifanstat"	"ASC-40|ASC40|compound 152 [US8871790]|TVB-2640|TVB2640"	"CC1=CC(=C(C=C1C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)C4=NNC(=N4)C)C5CCC5"	"BBGOSBDSLYHMRA-UHFFFAOYSA-N"	"InChI=1S/C27H29N5O/c1-17-14-24(22-4-3-5-22)25(26-29-18(2)30-31-26)15-23(17)27(33)32-12-10-21(11-13-32)20-8-6-19(16-28)7-9-20/h6-9,14-15,21-22H,3-5,10-13H2,1-2H3,(H,29,30,31)"	""	""	""
"7044"	"denileukin diftitox"	""	"Peptide"	"yes"	""	""	""	"178103623"	"0"	""	""	"CHEMBL1201550"	""	""	""	""	""	"denileukin diftitox"	"DAB389 IL2|denileukin diftitox-cxdl|LY 335348|Lymphir&reg;|Ontak&reg;"	""	""	""	"yes"	""	""
"534"	"denopamine"	""	"Synthetic organic"	""	""	""	""	"135650167"	"5311064"	""	""	"CHEMBL493682"	""	""	""	""	"4-[(1R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol"	"denopamine"	"TA 064|TA-064"	"COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC"	"VHSBBVZJABQOSG-INIZCTEOSA-N"	"InChI=1S/C18H23NO4/c1-22-17-8-3-13(11-18(17)23-2)9-10-19-12-16(21)14-4-6-15(20)7-5-14/h3-8,11,16,19-21H,9-10,12H2,1-2H3/t16-/m0/s1"	""	""	""
"6886"	"denosumab"	""	"Antibody"	"yes"	""	""	""	"178103468"	"0"	""	""	""	""	""	""	""	""	"denosumab"	"AMG-162|M05BX04|Prolia&reg;|Xgeva&reg;"	""	""	""	""	""	""
"1737"	"denufosol"	""	"Synthetic organic"	""	""	""	""	"135651590"	"9875516"	""	""	"CHEMBL507282"	""	""	""	""	"[[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate"	"denufosol"	"dCp<sub>4</sub>U|INS37217|Up<sub>4</sub>dC"	"Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H](C1)O)COP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=O)[nH]c1=O)O)O)O)O"	"FPNPSEMJLALQSA-MIYUEGBISA-N"	"InChI=1S/C18H27N5O21P4/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,20,28)(H,21,25,29)/t8-,9+,10+,13+,14+,15+,16+/m0/s1"	""	""	""
"610"	"deoxycholic acid"	""	"Metabolite"	"yes"	""	""	""	"135651468"	"222528"	""	""	"CHEMBL406393"	""	""	""	""	"(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid"	""	"ATX-101|DCA|deoxycholate"	"O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C"	"KXGVEGMKQFWNSR-LLQZFEROSA-N"	"InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1"	""	""	""
"2871"	"deoxycorticosterone"	""	"Metabolite"	""	""	""	""	"135651469"	"6166"	""	""	"CHEMBL1498"	""	""	""	""	"(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one"	"desoxycortone"	"11-deoxycorticosterone|21-hydroxyprogesterone"	"OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C"	"ZESRJSPZRDMNHY-YFWFAHHUSA-N"	"InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1"	""	""	""
"3450"	"deoxycortisone"	""	"Metabolite"	""	""	""	""	"135650168"	"102178"	""	""	""	""	""	""	""	"(8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione"	""	"21-deoxycortisone"	"O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2C(=O)C[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C"	"PUKLDDOGISCFCP-JSQCKWNTSA-N"	"InChI=1S/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-16,18,25H,4-9,11H2,1-3H3/t15-,16-,18+,19-,20-,21-/m0/s1"	""	""	""
"7970"	"depatuxizumab mafodotin"	""	"Antibody"	""	""	""	""	"249565653"	"0"	""	""	""	""	""	""	""	""	"depatuxizumab mafodotin"	"ABT-414"	""	""	""	""	""	""
"14305"	"depemokimab"	""	"Antibody"	"yes"	""	""	""	"523352097"	"0"	""	""	""	""	""	""	""	""	"depemokimab"	"depemokimab-ulaa|Exdensur&reg;|GSK-3511294|GSK3511294"	""	""	""	"yes"	""	""
"445"	"DEPX"	""	"Synthetic organic"	""	""	""	""	"135650169"	"1328"	""	""	"CHEMBL11348"	""	""	""	""	"1,3-diethyl-8-phenyl-7H-purine-2,6-dione"	""	"1,3-diethyl-8-phenylxanthine|DPX"	"CCn1c2nc([nH]c2c(=O)n(c1=O)CC)c1ccccc1"	"LVSWNSHUTPWCNF-UHFFFAOYSA-N"	"InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17)"	""	""	""
"2313"	"dequalinium"	""	"Synthetic organic"	""	""	""	""	"135650170"	"2993"	""	""	"CHEMBL333826"	""	""	""	""	"1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine"	"dequalinium chloride"	""	"Nc1cc(C)[n+](c2c1cccc2)CCCCCCCCCC[n+]1c(C)cc(c2c1cccc2)N"	"PCSWXVJAIHCTMO-UHFFFAOYSA-P"	"InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2"	""	""	""
"5490"	"deramciclane"	""	"Synthetic organic"	""	""	""	""	"178102137"	"119590"	""	""	"CHEMBL2104698"	""	""	""	""	"N,N-dimethyl-2-[[(1R,4R,6S)-1,7,7-trimethyl-6-phenyl-6-bicyclo[2.2.1]heptanyl]oxy]ethanamine"	"deramciclane"	"EGIS-3886|EGYT 3886|EGYT-3886|EGYT3886"	"CN(CCO[C@@]1(C[C@@H]2C([C@@]1(C)CC2)(C)C)c1ccccc1)C"	"QOBGWWQAMAPULA-RLLQIKCJSA-N"	"InChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1"	""	""	""
"9785"	"derazantinib"	""	"Synthetic organic"	""	""	""	""	"354702258"	"46834118"	""	""	""	""	""	""	""	"(6R)-6-(2-fluorophenyl)-N-[3-[2-(2-methoxyethylamino)ethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine"	"derazantinib"	"ARQ-087|ARQ087"	"COCCNCCc1cccc(c1)Nc1ncc2c(n1)c1ccccc1[C@@H](C2)c1ccccc1F"	"KPJDVVCDVBFRMU-AREMUKBSSA-N"	"InChI=1S/C29H29FN4O/c1-35-16-15-31-14-13-20-7-6-8-22(17-20)33-29-32-19-21-18-26(24-10-4-5-12-27(24)30)23-9-2-3-11-25(23)28(21)34-29/h2-12,17,19,26,31H,13-16,18H2,1H3,(H,32,33,34)/t26-/m1/s1"	""	""	""
"3281"	"derenofylline"	""	"Synthetic organic"	""	""	""	""	"178100322"	"9953065"	""	""	""	""	""	""	""	""	"derenofylline"	"SLV 320|SLV-320|SLV320"	"O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1"	"RBZNJGHIKXAKQE-HDJSIYSDSA-N"	"InChI=1S/C18H20N4O/c23-14-8-6-13(7-9-14)20-18-15-10-11-19-17(15)21-16(22-18)12-4-2-1-3-5-12/h1-5,10-11,13-14,23H,6-9H2,(H2,19,20,21,22)/t13-,14-"	""	""	""
"9804"	"derivative 17 [Nakahata <i>et al</i>., 2018]"	""	"Synthetic organic"	""	""	""	""	"354702276"	"69921479"	""	""	""	""	""	""	""	"N-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide"	""	"example 65 [WO2011078360]"	"OCCNC(=O)c1c(C)nn(c1CO)c1cccc2c1sc(c2)Cc1cccc(c1)C(F)(F)F"	"VJMRKWPMFQGIPI-UHFFFAOYSA-N"	"InChI=1S/C24H22F3N3O3S/c1-14-21(23(33)28-8-9-31)20(13-32)30(29-14)19-7-3-5-16-12-18(34-22(16)19)11-15-4-2-6-17(10-15)24(25,26)27/h2-7,10,12,31-32H,8-9,11,13H2,1H3,(H,28,33)"	""	""	""
"3754"	"(des 1-8) A-chain INSL3 analogue"	""	"Peptide"	""	""	""	""	"178100607"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2009"	"Des-AA<sup>1,2,5,12,13</sup>-[D-Trp<sup>8</sup>]SRIF"	""	"Peptide"	""	""	""	""	"135652104"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2011"	"Des-AA<sup>1,5</sup>-[Tyr<sup>2</sup>,D-Trp<sup>8</sup>,IAmp<sup>9</sup>]SRIF"	""	"Peptide"	""	""	""	""	"135652105"	"0"	""	""	""	""	""	""	""	""	""	"CH-288"	""	""	""	""	""	""
"2012"	"Des-AA<sup>5</sup>-[D-Trp<sup>8</sup>]SRIF"	""	"Peptide"	""	""	""	""	"135652106"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2010"	"Des-Ala<sup>1,2,5</sup>-[D-Trp<sup>8</sup>,IAmp<sup>9</sup>]SRIF"	""	"Peptide"	""	""	""	""	"135652107"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"663"	"[des-Arg<sup>10</sup>]icatibant"	""	"Peptide"	""	""	""	""	"135652108"	"0"	""	""	""	""	""	""	""	""	""	"[<small>D</small>-Arg-[Hyp<sup>3</sup>,Thi<sup>5</sup>,<small>D</small>-Tic<sup>7</sup>,Oic<sup>8</sup>]-des-Arg<sup>9</sup>]bradykinin|[des-Arg<sup>10</sup>]HOE140"	""	""	""	""	""	""
"644"	"[des-Arg<sup>10</sup>]kallidin"	"Human"	"Peptide"	""	""	""	""	"135652109"	"122227"	"P01042"	"ENSG00000113889"	"CHEMBL264100"	""	""	""	""	"(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid"	""	"[Lys,des-Arg<sup>9</sup>]bradykinin|kallidin<sub>1-9</sub>|Lys-[des-Arg<sup>9</sup>]-bradykinin|Lys-[des-Arg<sup>9</sup>]BK"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N)N"	"AILVBOHFGXNHCC-TZPCGENMSA-N"	"InChI=1S/C50H73N13O11/c51-22-8-7-17-33(52)42(66)58-34(18-9-23-55-50(53)54)46(70)63-26-12-21-40(63)48(72)62-25-10-19-38(62)44(68)56-29-41(65)57-35(27-31-13-3-1-4-14-31)43(67)60-37(30-64)47(71)61-24-11-20-39(61)45(69)59-36(49(73)74)28-32-15-5-2-6-16-32/h1-6,13-16,33-40,64H,7-12,17-30,51-52H2,(H,56,68)(H,57,65)(H,58,66)(H,59,69)(H,60,67)(H,73,74)(H4,53,54,55)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1"	""	""	""
"645"	"[des-Arg<sup>11</sup>]T-kinin"	""	"Peptide"	""	""	""	""	"135652110"	"100978427"	""	""	""	""	""	""	""	""	""	"[Ile,Ser,des-Arg<sup>9</sup>]bradykinin"	"CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"	"CBMZEVSWOFDCEK-FZCIQGMESA-N"	"InChI=1S/C53H77N13O13/c1-3-31(2)43(54)48(74)62-37(29-67)45(71)60-34(18-10-22-57-53(55)56)49(75)66-25-13-21-41(66)51(77)65-24-11-19-39(65)46(72)58-28-42(69)59-35(26-32-14-6-4-7-15-32)44(70)63-38(30-68)50(76)64-23-12-20-40(64)47(73)61-36(52(78)79)27-33-16-8-5-9-17-33/h4-9,14-17,31,34-41,43,67-68H,3,10-13,18-30,54H2,1-2H3,(H,58,72)(H,59,69)(H,60,71)(H,61,73)(H,62,74)(H,63,70)(H,78,79)(H4,55,56,57)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,43-/m0/s1"	""	""	""
"646"	"[des-Arg<sup>9</sup>]bradykinin"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651731"	"5128451"	"P08934|O08677|P01042"	"ENSG00000113889|ENSMUSG00000022875"	""	""	""	""	""	"2-[[1-[2-[[2-[[2-[[1-[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid"	""	"[des-Arg<sup>9</sup>]BK"	"OCC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N"	"VCEHWDBVPZFHAG-UHFFFAOYSA-N"	"InChI=1S/C44H61N11O10/c45-29(15-7-19-48-44(46)47)40(61)55-22-10-18-35(55)42(63)54-21-8-16-33(54)38(59)49-25-36(57)50-30(23-27-11-3-1-4-12-27)37(58)52-32(26-56)41(62)53-20-9-17-34(53)39(60)51-31(43(64)65)24-28-13-5-2-6-14-28/h1-6,11-14,29-35,56H,7-10,15-26,45H2,(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H,64,65)(H4,46,47,48)"	""	""	""
"1499"	"des-Br-neuropeptide B-23"	"Human"	"Peptide"	""	""	""	""	"135651732"	"0"	"Q8NG41"	"ENSG00000183979"	""	""	""	""	""	""	""	"des-Br-NPB-23"	""	""	""	""	""	""
"1500"	"des-Br-neuropeptide B-29"	"Human"	"Peptide"	""	""	""	""	"135651733"	"0"	"Q8NG41"	"ENSG00000183979"	""	""	""	""	""	""	""	"des-Br-NPB-29"	""	""	""	""	""	""
"7064"	"deserpidine"	""	"Natural product"	"yes"	""	""	""	"178103643"	"8550"	""	""	"CHEMBL1200515"	""	""	""	""	"methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate"	"deserpidine"	"Harmonyl&reg;|recanescin"	"COC(=O)[C@@H]1[C@@H](OC)[C@@H](C[C@H]2[C@@H]1C[C@H]1N(C2)CCc2c1[nH]c1c2cccc1)OC(=O)c1cc(OC)c(c(c1)OC)OC"	"CVBMAZKKCSYWQR-WCGOZPBSSA-N"	"InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1"	""	""	""
"7156"	"desflurane"	""	"Synthetic organic"	"yes"	""	""	""	"178103731"	"42113"	""	""	"CHEMBL1200733"	""	""	""	""	"2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane"	"desflurane"	"I-653|Suprane&reg;"	"FC(OC(C(F)(F)F)F)F"	"DPYMFVXJLLWWEU-UHFFFAOYSA-N"	"InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H"	""	""	""
"3601"	"[des-Gln<sup>14</sup>]ghrelin"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651735"	"0"	"Q9QYH7|Q9EQX0"	"ENSRNOG00000010349|ENSMUSG00000064177"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3600"	"[des-Gln<sup>14</sup>]ghrelin"	"Human"	"Peptide"	""	""	""	""	"135651734"	"0"	"Q9UBU3"	"ENSG00000157017"	""	""	""	""	""	""	""	"des-Gln<sup>14</sup>-ghrelin"	""	""	""	""	""	""
"3870"	"desGlyNH<sub>2</sub>-d(CH<sub>2</sub>)<sub>5</sub>[Tyr(Me)<sup>2</sup>,Thr<sup>4</sup>,Orn<sup>8</sup>]OT"	""	"Peptide"	""	""	""	""	"178100707"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1174"	"[des-Gly<sup>10</sup>,<small>D</small>-Ala<sup>6</sup>]GnRH <i>N</i>-ethylamide"	""	"Peptide"	""	""	""	""	"135652111"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1150"	"des-His<sup>1</sup>-[Glu<sup>9</sup>]glucagon-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"135652112"	"0"	""	""	""	""	""	""	""	""	""	"des-His(1)-[Glu<sup>9</sup>]-glucagon-NH<sub>2</sub>"	""	""	""	""	""	""
"1151"	"des-His<sup>1</sup>-[Leu<sup>4</sup>-Glu<sup>9</sup>]glucagon-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"135652113"	"0"	""	""	""	""	""	""	""	""	""	"des-His(1)-[Leu<sup>4</sup>-Glu<sup>9</sup>]-glucagon-NH<sub>2</sub>"	""	""	""	""	""	""
"12285"	"desidustat"	""	"Synthetic organic"	""	""	""	""	"473153873"	"75593290"	""	""	"CHEMBL4650314"	""	""	""	""	"2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid"	"desidustat"	"EXAMPLE 2 [WO2014102818A1]|Oxemia&reg;|ZYAN-1|ZYAN1"	"C1CC1COn1c2ccccc2c(c(c1=O)C(=O)NCC(=O)O)O"	"IKRKQQLJYBAPQT-UHFFFAOYSA-N"	"InChI=1S/C16H16N2O6/c19-12(20)7-17-15(22)13-14(21)10-3-1-2-4-11(10)18(16(13)23)24-8-9-5-6-9/h1-4,9,21H,5-8H2,(H,17,22)(H,19,20)"	""	""	""
"2399"	"desipramine"	""	"Synthetic organic"	"yes"	""	""	""	"135650171"	"2995"	""	""	"CHEMBL72"	""	""	""	""	"3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine"	"desipramine"	"EX-4355|JB-8181|Norpramin&reg;|Pertrofane&reg;|Treyzafagit&reg;"	"CNCCCN1c2ccccc2CCc2c1cccc2"	"HCYAFALTSJYZDH-UHFFFAOYSA-N"	"InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3"	""	""	""
"6458"	"desirudin"	""	"Peptide"	"yes"	""	""	""	"178103073"	"16129703"	""	""	"CHEMBL1201662"	""	""	""	""	""	"desirudin"	"CGP 39393|CGP-39393|CGP39393"	"NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CCC(=O)O)[C@H](CC)C)CCC(=O)O)CCC(=O)O)Cc1ccccc1)CC(=O)O)CC(=O)O)CC(=O)N)Cc1cnc[nH]1)CO)CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)CCC(=O)N)CC(=O)N)CCCCN)C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)N)CC(=O)N)CCCCN)CCC(=O)O)CC(=O)O)CO)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N)Cc2ccc(cc2)O)CC(=O)O)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC(=O)N)CCC(=O)N)CO)CC(C)C)C(C)C)CCC(=O)O"	"XYWBJDRHGNULKG-OUMQNGNKSA-N"	""	""	""	""
"6806"	"deslanoside"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103412"	"28620"	""	""	"CHEMBL1614"	""	""	""	""	"4-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one"	"deslanoside"	"Cedilanide&reg;|desacetyl-lanatoside C"	"OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3C[C@@H](O)[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O"	"OBATZBGFDSVCJD-LALPQLPRSA-N"	"InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1"	""	""	""
"7157"	"desloratadine"	""	"Synthetic organic"	"yes"	""	""	""	"178103732"	"124087"	""	""	"CHEMBL1172"	""	""	""	""	"8-chloro-11-piperidin-4-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine"	"desloratadine"	"Clarinex&reg;|SCH-34117"	"Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1"	"JAUOIFJMECXRGI-UHFFFAOYSA-N"	"InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2"	"yes"	""	""
"9343"	"deslorelin"	""	"Peptide"	""	""	""	""	"328083446"	"25077495"	""	""	""	""	""	""	""	"(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide"	""	""	"CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)CO)CC(C)C)CCCN=C(N)N"	"GJKXGJCSJWBJEZ-XRSSZCMZSA-N"	"InChI=1S/C64H83N17O12/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69)/t45-,46-,47-,48-,49+,50-,51-,52-,53-/m0/s1"	""	""	""
"2182"	"desmopressin"	""	"Peptide"	"yes"	""	""	""	"135652102"	"27991"	""	""	"CHEMBL264448"	""	""	""	""	"N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide"	"desmopressin"	"1-deamino,<small>D</small>-AVP|[deamino-Cys<sup>1</sup>,<small>D</small>-Arg<sup>8</sup>]vasopressin|dDAVP|Noctiva&reg;"	"NC(=O)CC1NC(=O)C(CCC(=O)N)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)CCSSCC(NC1=O)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N)Cc1ccc(cc1)O"	"NFLWUMRGJYTJIN-UHFFFAOYSA-N"	"InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)"	""	""	""
"2748"	"desmosterol"	""	"Metabolite"	""	""	""	""	"135651470"	"439577"	""	""	"CHEMBL455876"	""	""	""	""	"(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"	""	""	"O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCC=C(C)C)C)C)C1)C"	"AVSXSVCZWQODGV-DPAQBDIFSA-N"	"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1"	""	""	""
"1098"	"[des-octanoyl]ghrelin"	"Human"	"Peptide"	""	""	""	""	"135651737"	"0"	"Q9UBU3"	"ENSG00000157017"	""	""	""	""	""	""	""	"[des-octanoyl] ghrelin|des-octanoyl ghrelin"	""	""	""	""	""	""
"3599"	"[des-octanoyl]ghrelin"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651736"	"155817446"	"Q9EQX0|Q9QYH7"	"ENSMUSG00000064177|ENSRNOG00000010349"	""	""	""	""	""	""	""	"des-octanoyl ghrelin"	"CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O"	"CMCPTGQGZXKKEH-MGXJLMSJSA-N"	"InChI=1S/C139H231N45O41/c1-73(2)62-92(123(210)172-90(42-48-107(149)192)134(221)181-58-22-37-102(181)132(219)173-91(137(224)225)34-21-57-156-139(152)153)174-117(204)80(29-11-16-52-141)161-112(199)76(6)159-130(217)100-35-24-60-183(100)136(223)103-38-25-61-184(103)133(220)89(32-14-19-55-144)171-116(203)82(31-13-18-54-143)166-128(215)97(69-186)178-122(209)87(43-49-109(194)195)168-114(201)81(30-12-17-53-142)164-115(202)83(33-20-56-155-138(150)151)165-119(206)85(40-46-105(147)190)167-118(205)84(39-45-104(146)189)162-111(198)75(5)158-113(200)79(28-10-15-51-140)163-120(207)86(41-47-106(148)191)169-126(213)95(65-78-67-154-72-157-78)177-121(208)88(44-50-110(196)197)170-131(218)101-36-23-59-182(101)135(222)99(71-188)180-124(211)93(63-74(3)4)175-125(212)94(64-77-26-8-7-9-27-77)176-129(216)98(70-187)179-127(214)96(68-185)160-108(193)66-145/h7-9,26-27,67,72-76,79-103,185-188H,10-25,28-66,68-71,140-145H2,1-6H3,(H2,146,189)(H2,147,190)(H2,148,191)(H2,149,192)(H,154,157)(H,158,200)(H,159,217)(H,160,193)(H,161,199)(H,162,198)(H,163,207)(H,164,202)(H,165,206)(H,166,215)(H,167,205)(H,168,201)(H,169,213)(H,170,218)(H,171,203)(H,172,210)(H,173,219)(H,174,204)(H,175,212)(H,176,216)(H,177,208)(H,178,209)(H,179,214)(H,180,211)(H,194,195)(H,196,197)(H,224,225)(H4,150,151,155)(H4,152,153,156)/t75-,76-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-/m0/s1"	""	""	""
"7065"	"desogestrel"	""	"Synthetic organic"	"yes"	""	""	""	"178103644"	"40973"	""	""	"CHEMBL1533"	""	""	""	""	"(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol"	"desogestrel"	"ORG-2969"	"CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@@]2(O)C#C)CCC1=CCCC[C@H]31"	"RPLCPCMSCLEKRS-BPIQYHPVSA-N"	"InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1"	""	""	""
"7066"	"desonide"	""	"Synthetic organic"	"yes"	""	""	""	"178103645"	"5311066"	""	""	"CHEMBL1201109"	""	""	""	""	""	"desonide"	"D-2083|Desowen&reg;"	"OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)(C)C"	"WBGKWQHBNHJJPZ-LECWWXJVSA-N"	"InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1"	"yes"	""	""
"7067"	"desoximetasone"	""	"Metabolite"	"yes"	""	""	""	"178103646"	"5311067"	""	""	"CHEMBL1766"	""	""	""	""	"(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one"	"desoximetasone"	"A-41-304|HOE-304|R-2113|Topicort&reg;"	"OCC(=O)[C@H]1[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F"	"VWVSBHGCDBMOOT-IIEHVVJPSA-N"	"InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1"	"yes"	""	""
"647"	"[des-Phe<sup>9</sup>,des-Arg<sup>10</sup>]kallidin"	""	"Peptide"	""	""	""	""	"135652114"	"102061602"	""	""	""	""	""	""	""	""	""	"[Lys,des-Phe<sup>8</sup>,Arg<sup>9</sup>]bradykinin"	"NCCCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O"	"WNGUWEHGRDFXEE-YYGRSCHNSA-N"	"InChI=1S/C41H64N12O10/c42-17-5-4-12-26(43)34(56)49-27(13-6-18-46-41(44)45)37(59)52-20-8-15-31(52)39(61)51-19-7-14-30(51)36(58)47-23-33(55)48-28(22-25-10-2-1-3-11-25)35(57)50-29(24-54)38(60)53-21-9-16-32(53)40(62)63/h1-3,10-11,26-32,54H,4-9,12-24,42-43H2,(H,47,58)(H,48,55)(H,49,56)(H,50,57)(H,62,63)(H4,44,45,46)/t26-,27-,28-,29-,30-,31-,32-/m0/s1"	""	""	""
"648"	"[des-Pro<sup>8</sup>,des-Phe<sup>9</sup>,des-Arg<sup>10</sup>]kallidin"	""	"Peptide"	""	""	""	""	"135652115"	"155817380"	""	""	""	""	""	""	""	""	""	"[des-Pro<sup>7</sup>,Phe<sup>8</sup>,Arg<sup>9</sup>]Lys-bradykinin"	"NCCCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O"	"YYOXJDIFFHDALP-QUQVWLGBSA-N"	"InChI=1S/C36H57N11O9/c37-15-5-4-11-23(38)30(50)44-24(12-6-16-41-36(39)40)33(53)47-18-8-14-28(47)34(54)46-17-7-13-27(46)32(52)42-20-29(49)43-25(19-22-9-2-1-3-10-22)31(51)45-26(21-48)35(55)56/h1-3,9-10,23-28,48H,4-8,11-21,37-38H2,(H,42,52)(H,43,49)(H,44,50)(H,45,51)(H,55,56)(H4,39,40,41)/t23-,24-,25-,26-,27-,28-/m0/s1"	""	""	""
"3725"	"desulfated cholecystokinin-8"	""	"Peptide"	""	""	""	""	"178100598"	"3084441"	""	""	""	""	""	""	""	"(3S,6S)-3-amino-6-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-hydrazinyl-3-phenylpropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-7-(4-hydroxyphenyl)-4,5-dioxoheptanoic acid"	""	"CCK-8 (desulphated)|des-CCK-8|desulfated sincalide"	"CSCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)C(=O)[C@H](CC(=O)O)N)Cc1ccc(cc1)O)CCSC)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NN)CC(=O)O"	"ZBTPHEHKAHBSMT-YRVFCXMDSA-N"	"InChI=1S/C49H62N10O13S2/c1-73-18-16-34(46(69)56-36(20-28-12-14-30(60)15-13-28)44(67)43(66)32(50)23-41(62)63)54-40(61)26-53-45(68)37(22-29-25-52-33-11-7-6-10-31(29)33)57-47(70)35(17-19-74-2)55-48(71)38(24-42(64)65)58-49(72)39(59-51)21-27-8-4-3-5-9-27/h3-15,25,32,34-39,52,59-60H,16-24,26,50-51H2,1-2H3,(H,53,68)(H,54,61)(H,55,71)(H,56,69)(H,57,70)(H,58,72)(H,62,63)(H,64,65)/t32-,34-,35-,36-,37-,38-,39-/m0/s1"	""	""	""
"3558"	"desulfated gastrin-14"	"Human"	"Peptide"	""	""	""	""	"178100524"	"0"	"P01350"	"ENSG00000184502"	""	""	""	""	""	""	""	"minigastrin"	""	""	""	""	""	""
"8408"	"desulfated gastrin-17"	"Human"	"Peptide"	""	""	""	""	"252166618"	"16162108"	"P01350"	"ENSG00000184502"	""	""	""	""	""	""	""	"little gastrin I"	"CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"	"GKDWRERMBNGKCZ-RNXBIMIWSA-N"	"InChI=1S/C97H124N20O31S/c1-49(2)39-68(114-95(146)71(43-54-46-100-59-18-11-9-16-57(54)59)116-97(148)73-19-12-37-117(73)76(121)48-102-85(136)60-24-30-74(119)104-60)93(144)110-65(29-35-81(130)131)91(142)109-64(28-34-80(128)129)90(141)108-63(27-33-79(126)127)89(140)107-62(26-32-78(124)125)88(139)106-61(25-31-77(122)123)87(138)103-50(3)84(135)113-69(41-52-20-22-55(118)23-21-52)86(137)101-47-75(120)105-70(42-53-45-99-58-17-10-8-15-56(53)58)94(145)111-66(36-38-149-4)92(143)115-72(44-82(132)133)96(147)112-67(83(98)134)40-51-13-6-5-7-14-51/h5-11,13-18,20-23,45-46,49-50,60-73,99-100,118H,12,19,24-44,47-48H2,1-4H3,(H2,98,134)(H,101,137)(H,102,136)(H,103,138)(H,104,119)(H,105,120)(H,106,139)(H,107,140)(H,108,141)(H,109,142)(H,110,144)(H,111,145)(H,112,147)(H,113,135)(H,114,146)(H,115,143)(H,116,148)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133)/t50-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1"	""	""	""
"8409"	"desulfated gastrin-34"	"Human"	"Peptide"	""	""	""	""	"252166619"	"134687593"	"P01350"	"ENSG00000184502"	""	""	""	""	""	""	""	""	"CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"	"DKONFPYEAKZHHO-JCVYGFDXSA-N"	"InChI=1S/C176H251N43O53S/c1-89(2)70-117(206-157(253)109-47-55-134(224)192-109)152(248)188-85-137(227)215-64-23-36-127(215)170(266)203-108(46-54-133(180)223)151(247)187-86-138(228)217-66-27-40-131(217)176(272)219-68-26-39-130(219)172(268)211-123(77-99-82-182-88-189-99)166(262)208-119(72-91(5)6)168(264)214-146(92(7)8)174(270)191-94(10)149(245)212-125(79-145(241)242)175(271)218-67-25-38-129(218)173(269)213-126(87-220)169(265)195-106(35-20-22-63-178)155(251)194-105(34-19-21-62-177)156(252)196-107(45-53-132(179)222)150(246)186-84-136(226)216-65-24-37-128(216)171(267)210-122(76-98-81-184-104-33-18-16-31-102(98)104)165(261)207-118(71-90(3)4)163(259)201-114(52-60-143(237)238)161(257)200-113(51-59-142(235)236)160(256)199-112(50-58-141(233)234)159(255)198-111(49-57-140(231)232)158(254)197-110(48-56-139(229)230)154(250)190-93(9)148(244)205-120(74-96-41-43-100(221)44-42-96)153(249)185-83-135(225)193-121(75-97-80-183-103-32-17-15-30-101(97)103)164(260)202-115(61-69-273-11)162(258)209-124(78-144(239)240)167(263)204-116(147(181)243)73-95-28-13-12-14-29-95/h12-18,28-33,41-44,80-82,88-94,105-131,146,183-184,220-221H,19-27,34-40,45-79,83-87,177-178H2,1-11H3,(H2,179,222)(H2,180,223)(H2,181,243)(H,182,189)(H,185,249)(H,186,246)(H,187,247)(H,188,248)(H,190,250)(H,191,270)(H,192,224)(H,193,225)(H,194,251)(H,195,265)(H,196,252)(H,197,254)(H,198,255)(H,199,256)(H,200,257)(H,201,259)(H,202,260)(H,203,266)(H,204,263)(H,205,244)(H,206,253)(H,207,261)(H,208,262)(H,209,258)(H,210,267)(H,211,268)(H,212,245)(H,213,269)(H,214,264)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)/t93-,94-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,146-/m0/s1"	""	""	""
"8410"	"desulfated gastrin-71"	"Human"	"Peptide"	""	""	""	""	"252166620"	"0"	"P01350"	"ENSG00000184502"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7158"	"desvenlafaxine"	""	"Synthetic organic"	"yes"	""	""	""	"178103733"	"125017"	""	""	"CHEMBL1118"	""	""	""	""	"4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol"	"desvenlafaxine"	"<i>O</i>-desmethylvenlafaxine (ODV)|Pristiq&reg;|WY-45233"	"CN(CC(C1(O)CCCCC1)c1ccc(cc1)O)C"	"KYYIDSXMWOZKMP-UHFFFAOYSA-N"	"InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3"	""	""	""
"14688"	"detomidine"	""	"Synthetic organic"	""	""	""	""	"530846936"	"56032"	""	""	"ChEMBL2110829"	""	""	""	""	"5-[(2,3-dimethylphenyl)methyl]-1H-imidazole"	"detomidine"	""	"CC1=C(C(=CC=C1)CC2=CN=CN2)C"	"RHDJRPPFURBGLQ-UHFFFAOYSA-N"	"InChI=1S/C12H14N2/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12/h3-5,7-8H,6H2,1-2H3,(H,13,14)"	""	""	""
"10432"	"deucravacitinib"	""	"Synthetic organic"	"yes"	""	""	""	"385612192"	"134821691"	""	""	""	""	""	""	""	"6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide"	"deucravacitinib"	"BMS-986165|BMS986165|compound 11 [PMID: 31318208}|Sotyktu&reg;|Tyk2-IN-4"	"COc1c(cccc1c1ncn(n1)C)Nc1cc(nnc1C(=O)NC([2H])([2H])[2H])NC(=O)C1CC1"	"BZZKEPGENYLQSC-FIBGUPNXSA-N"	"InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)/i1D3"	"yes"	""	""
"12421"	"deucrictibant"	""	"Synthetic organic"	""	""	""	""	"479821212"	"154623230"	""	""	""	""	""	""	""	"N-[(1S)-1-[3-chloro-5-fluoro-2-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]phenyl]-1-deuterioethyl]-2-(difluoromethoxy)acetamide"	"deucrictibant"	"PHA-022121|PHA-121|PHA022121"	"[2H][C@](C)(C1=C(C(=CC(=C1)F)Cl)COC=2C=CC=C3C(=CC(=NC23)C)C4=NC=NN4C)NC(COC(F)F)=O"	"ZTCLCSCHTACERP-WTDRUJNCSA-N"	"InChI=1S/C25H23ClF3N5O3/c1-13-7-18(24-30-12-31-34(24)3)16-5-4-6-21(23(16)32-13)36-10-19-17(8-15(27)9-20(19)26)14(2)33-22(35)11-37-25(28)29/h4-9,12,14,25H,10-11H2,1-3H3,(H,33,35)/t14-/m0/s1/i14D"	""	""	""
"13488"	"deulorlatinib"	""	"Synthetic organic"	""	""	""	""	"500839898"	"162703963"	""	""	""	""	""	""	""	""	"deulorlatinib"	"compound of formula A [US20220024908A1]|TGRX-326|TGRX326"	"NC1=C2O[C@@H](C3=C(C(N(CC=4C(C(C=N1)=C2)=C(N(N4)C([2H])([2H])[2H])C#N)C)=O)C=CC(=C3)F)C"	"IIXWYSCJSQVBQM-LMUHODJSSA-N"	"InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1/i3D3"	""	""	""
"12890"	"deupirfenidone"	""	"Synthetic organic"	""	""	""	""	"485206011"	"25145077"	""	""	"CHEMBL5095176"	""	""	""	""	"1-phenyl-5-(trideuteriomethyl)pyridin-2-one"	"deupirfenidone"	"LYT-100"	"[2H]C([2H])([2H])C1=CN(C(=O)C=C1)C2=CC=CC=C2"	"ISWRGOKTTBVCFA-FIBGUPNXSA-N"	"InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3/i1D3"	""	""	""
"11410"	"deuruxolitinib"	""	"Synthetic organic"	"yes"	""	""	""	"440816779"	"72704611"	""	""	"CHEMBL4594381"	""	""	""	""	"(3R)-3-(2,2,3,3,4,4,5,5-octadeuteriocyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile"	"deuruxolitinib"	"CTP-543|CTP543|D8-ruxolitinib|Leqselvi&reg;"	"N#CC[C@H](C1C([2H])([2H])C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])n1ncc(c1)c1ncnc2c1cc[nH]2"	"HFNKQEVNSGCOJV-FBXGHSCESA-N"	"InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1/i1D2,2D2,3D2,4D2"	"yes"	""	""
"14402"	"deutenzalutamide"	""	"Synthetic organic"	"yes"	""	""	""	"523352194"	"71580408"	""	""	"CHEMBL4594421"	""	""	""	""	"4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-(trideuteriomethyl)benzamide"	"deutenzalutamide"	"enzalutamide d3|enzalutamide-d<sub>3</sub>|Hainaan&reg; (China)|HC-1119|HC1119|MDV3100-d<sub>3</sub>"	"[2H]C([2H])([2H])NC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F"	"WXCXUHSOUPDCQV-HPRDVNIFSA-N"	"InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)/i3D3"	""	""	""
"8611"	"Deuterium-substituted L-DOPA"	""	"Synthetic organic"	""	""	""	""	"252166812"	"76955701"	""	""	""	""	""	""	""	"(2S)-2-amino-2,3,3-trideuterio-3-(3,4-dihydroxyphenyl)propanoic acid"	""	"D3 L-DOPA|DP-102"	"OC(=O)[C@](C(c1ccc(c(c1)O)O)([2H])[2H])(N)[2H]"	"WTDRDQBEARUVNC-QZRTVAIESA-N"	"InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i3D2,6D"	""	""	""
"8707"	"deutetrabenazine"	""	"Synthetic organic"	"yes"	""	""	""	"252827365"	"73437646"	""	""	""	""	""	""	""	"(3R,11bR)-3-(2-methylpropyl)-9,10-bis(trideuteriomethoxy)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one"	"deutetrabenazine"	"Austedo&reg;|SD-809|SD809|tetrabenazine D6"	"CC(C[C@@H]1CN2CCc3c([C@H]2CC1=O)cc(c(c3)OC([2H])([2H])[2H])OC([2H])([2H])[2H])C"	"MKJIEFSOBYUXJB-VFJJUKLQSA-N"	"InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m1/s1/i3D3,4D3"	""	""	""
"13695"	"deutivacaftor"	""	"Synthetic organic"	"yes"	""	""	""	"507750329"	"71470491"	""	""	"CHEMBL4297603"	""	""	""	""	"N-[2-tert-butyl-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide"	"deutivacaftor"	"Ivacaftor-D9|VX-561|VX561"	"[2H]C([2H])([2H])C(C1=C(C=C(C(=C1)C(C)(C)C)NC(=O)C2=CNC3=CC=CC=C3C2=O)O)(C([2H])([2H])[2H])C([2H])([2H])[2H]"	"PURKAOJPTOLRMP-ASMGOKTBSA-N"	"InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)/i4D3,5D3,6D3"	""	""	""
"2517"	"(-)-devapamil"	""	"Synthetic organic"	""	""	""	""	"53801062"	"107928"	""	""	""	""	""	""	""	"(2S)-2-(3,4-dimethoxyphenyl)-5-[2-(3-methoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile"	"devapamil"	"(-)-D888|(-)-desmethoxyverapamil|4-desmethoxyverapamil (4-DMV)"	"COc1cccc(c1)CCN(CCC[C@@](c1ccc(c(c1)OC)OC)(C(C)C)C#N)C"	"VMVKIDPOEOLUFS-SANMLTNESA-N"	"InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-11-12-24(30-5)25(18-22)31-6)14-8-15-28(3)16-13-21-9-7-10-23(17-21)29-4/h7,9-12,17-18,20H,8,13-16H2,1-6H3/t26-/m0/s1"	""	""	""
"878"	"devazepide"	""	"Synthetic organic"	""	""	""	""	"135650466"	"59751"	""	""	"CHEMBL39263"	""	""	""	""	"N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide"	"devazepide"	"BRN 5156082|L-364,718|L-364718|MK-329"	"O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2"	"NFHRQQKPEBFUJK-UHFFFAOYSA-N"	"InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)"	""	""	""
"2768"	"dexamethasone"	""	"Synthetic organic"	"yes"	""	""	""	"135651471"	"5743"	""	""	"CHEMBL384467"	""	""	""	""	"(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"	"dexamethasone"	"Decadron&reg;|desametasone|fluormethylprednisolone"	"OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F"	"UREBDLICKHMUKA-CXSFZGCWSA-N"	"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1"	"yes"	""	""
"2147"	"dexamfetamine"	""	"Synthetic organic"	"yes"	""	""	""	"135650979"	"5826"	""	""	"CHEMBL612"	""	""	""	""	"(2S)-1-phenylpropan-2-amine"	"dexamfetamine"	"(+)-alpha-methylphenylethylamine|d-amphetamine|Dexadrine&reg;|dextroamphetamine|Dextrostat&reg;|S(+)amphetamine"	"C[C@@H](Cc1ccccc1)N"	"KWTSXDURSIMDCE-QMMMGPOBSA-N"	"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1"	""	""	""
"7588"	"dexbrompheniramine"	""	"Synthetic organic"	"yes"	"yes"	""	""	"223365923"	"16960"	""	""	"CHEMBL1201287"	""	""	""	""	"(3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine"	"dexbrompheniramine"	"<small>D</small>-brompheniramine|Disomer&reg;"	"CN(CC[C@H](c1ccccn1)c1ccc(cc1)Br)C"	"ZDIGNSYAACHWNL-HNNXBMFYSA-N"	"InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1"	""	""	""
"354"	"dexetimide"	""	"Synthetic organic"	"yes"	""	""	""	"135650172"	"30843"	""	""	"CHEMBL1908364"	""	""	""	""	"(3S)-3-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]piperidine-2,6-dione"	"benzetimide|dexetimide"	"(+)-benzetimide|R 16470|Tremblex&reg;"	"O=C1CC[C@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1"	"LQQIVYSCPWCSSD-HSZRJFAPSA-N"	"InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m1/s1"	""	""	""
"13884"	"dexfadrostat"	""	"Synthetic organic"	""	""	""	""	"513757569"	"9815923"	""	""	"CHEMBL287677"	""	""	""	""	"4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile"	"dexfadrostat"	"(+)-fadrozole|(R)-fadrozole|DP-13|DP13"	"C1C[C@@H](N2C=NC=C2C1)C3=CC=C(C=C3)C#N"	"CLPFFLWZZBQMAO-CQSZACIVSA-N"	"InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m1/s1"	""	""	""
"5487"	"dexlansoprazole"	""	"Synthetic organic"	"yes"	""	""	""	"178102134"	"9578005"	""	""	"CHEMBL1201863"	""	""	""	""	"2-[(R)-{[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methane}sulfinyl]-1H-1,3-benzodiazole"	"dexlansoprazole|lansoprazole"	"(+)-lansoprazol|(<i>R)</i>-lansoprazole|Dexilant SoluTab&reg;|Dexilant&reg;|Kapidex&reg;|T 168390|TAK 390"	"O=[S@@](c1nc2c([nH]1)cccc2)Cc1nccc(c1C)OCC(F)(F)F"	"MJIHNNLFOKEZEW-RUZDIDTESA-N"	"InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/t25-/m1/s1"	""	""	""
"889"	"dexloxiglumide"	""	"Synthetic organic"	""	""	""	""	"135650173"	"65937"	""	""	"CHEMBL550781"	""	""	""	""	"(4R)-4-[(3,4-dichlorobenzoyl)amino]-5-(3-methoxypropyl-pentylamino)-5-oxopentanoic acid"	"dexloxiglumide"	"CR-2017"	"CCCCCN(C(=O)[C@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC"	"QNQZBKQEIFTHFZ-GOSISDBHSA-N"	"InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)/t18-/m1/s1"	""	""	""
"521"	"dexmedetomidine"	""	"Synthetic organic"	"yes"	""	""	""	"135650174"	"5311068"	""	""	"CHEMBL778"	""	""	""	""	"4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-3H-imidazole"	"dexmedetomidine"	"Dexdor&reg;|Igalmi&reg; (dexmedetomidine sublingual film)|MPV 1440|Precedex&reg;"	"Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C"	"CUHVIMMYOGQXCV-NSHDSACASA-N"	"InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1"	""	""	""
"7554"	"dexmethylphenidate"	""	"Synthetic organic"	"yes"	""	""	""	"223365890"	"154101"	""	""	"CHEMBL827"	""	""	""	""	"methyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate"	"dexmethylphenidate"	"Attenade&reg;|D-TMP|Focalin&reg;"	"COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1"	"DUGOZIWVEXMGBE-CHWSQXEVSA-N"	"InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1"	""	""	""
"463"	"dexniguldipine"	""	"Synthetic organic"	""	""	""	""	"135650907"	"6918097"	""	""	"CHEMBL2051956"	""	""	""	""	"O3-[3-[4,4-di(phenyl)piperidin-1-yl]propyl] O5-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"dexniguldipine"	"(R)-(-)-niguldipine|(R)-niguldipine"	"COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C"	"SVJMLYUFVDMUHP-MGBGTMOVSA-N"	"InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m1/s1"	""	""	""
"7330"	"dexrazoxane"	""	"Synthetic organic"	"yes"	""	""	""	"178103902"	"71384"	""	""	"CHEMBL1738"	""	""	""	""	"6-hydroxy-4-[(2S)-2-(5-hydroxy-3-oxo-1,2,3,6-tetrahydropyrazin-1-yl)propyl]-2,3,4,5-tetrahydropyrazin-2-one"	"dexrazoxane"	"ADR-529|Cardioxane&reg;|ICRF-187|Savene&reg;|Zinecard&reg;"	"OC1=NC(=O)CN(C1)C[C@@H](N1CC(=NC(=O)C1)O)C"	"BMKDZUISNHGIBY-ZETCQYMHSA-N"	"InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1"	""	""	""
"6953"	"dextromethorphan"	""	"Synthetic organic"	"yes"	""	""	""	"178103535"	"5360696"	""	""	"CHEMBL52440"	""	""	""	""	""	"dextromethorphan"	"d-methorphan"	"COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C"	"MKXZASYAUGDDCJ-NJAFHUGGSA-N"	"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1"	""	""	""
"7593"	"dextropropoxyphene"	""	"Synthetic organic"	"yes"	""	""	""	"223365928"	"10100"	""	""	"CHEMBL1213351"	""	""	""	""	"[(2S,3R)-4-dimethylamino-3-methyl-1,2-di(phenyl)butan-2-yl] propanoate"	"dextropropoxyphene"	"(+)-alpha-propoxyphene|Darvon&reg;|propoxyphene"	"CCC(=O)O[C@](c1ccccc1)([C@@H](CN(C)C)C)Cc1ccccc1"	"XLMALTXPSGQGBX-GCJKJVERSA-N"	"InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1"	""	""	""
"9052"	"dextrorphan"	""	"Synthetic organic"	""	""	""	""	"315661137"	"5360697"	""	""	"CHEMBL1254766"	""	""	""	""	""	""	""	"Oc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C"	"JAQUASYNZVUNQP-PVAVHDDUSA-N"	"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1"	""	""	""
"6951"	"dextrothyroxine"	""	"Synthetic organic"	"yes"	""	""	""	"178103533"	"8730"	""	""	"CHEMBL559"	""	""	""	""	"(2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid"	"dextrothyroxine sodium"	"Choloxin&reg;|D-T4|D-thyroxine"	"OC(=O)[C@@H](Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N"	"XUIIKFGFIJCVMT-GFCCVEGCSA-N"	"InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1"	""	""	""
"8255"	"dezamizumab"	""	"Antibody"	""	""	""	""	"249565935"	"0"	""	""	""	""	""	""	""	""	"dezamizumab"	"GSK-2398852|GSK2398852"	""	""	""	""	""	""
"14373"	"dezandrodeg"	""	"Synthetic organic"	""	""	""	""	"523352165"	"149429863"	""	""	""	""	""	""	""	"2-[(2R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-ethylphenoxy]ethyl]-2-methylpiperazin-1-yl]-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide"	"dezandrodeg"	"BMS-986365|BMS986365|CC-94676|CC94676"	"CCC1=C(C=CC(=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)OCCN4CCN([C@@H](C4)C)CC(=O)NC5=CC=CC(=C5)NC6CCC(=O)NC6=O"	"YUVGVJYLOFTILT-NHYGQJMQSA-N"	"InChI=1S/C41H45F3N8O5S/c1-5-26-19-31(52-39(58)51(38(56)40(52,3)4)30-10-9-27(22-45)32(21-30)41(42,43)44)11-13-34(26)57-18-17-49-15-16-50(25(2)23-49)24-36(54)47-29-8-6-7-28(20-29)46-33-12-14-35(53)48-37(33)55/h6-11,13,19-21,25,33,46H,5,12,14-18,23-24H2,1-4H3,(H,47,54)(H,48,53,55)/t25-,33?/m1/s1"	""	""	""
"9728"	"dezapelisib"	""	"Synthetic organic"	""	""	""	""	"354702204"	"58111426"	""	""	"CHEMBL2216863"	""	""	""	""	"6-(3-fluorophenyl)-3-methyl-7-[(1S)-1-(7H-purin-6-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one"	"dezapelisib"	"compound 67 [PMID: 22924688]|example 15 [WO2011008487]|INCB 40093|INCB40093"	"Fc1cccc(c1)c1c(nc2n(c1=O)c(C)cs2)[C@@H](Nc1ncnc2c1nc[nH]2)C"	"RSIWALKZYXPAGW-NSHDSACASA-N"	"InChI=1S/C20H16FN7OS/c1-10-7-30-20-27-15(11(2)26-18-16-17(23-8-22-16)24-9-25-18)14(19(29)28(10)20)12-4-3-5-13(21)6-12/h3-9,11H,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1"	"yes"	""	""
"14614"	"deziglipel"	""	"Synthetic organic"	""	""	""	""	"530846862"	"131984581"	""	""	""	""	""	""	""	"2-[(1S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-6-(2-fluoro-4-methylsulfonylphenyl)imidazo[2,1-b][1,3,4]thiadiazole"	"deziglipel"	"compound 1086 [WO2017175066]|compound 32 [PMID: 41054342]|MKP-10241|MKP10241"	"C(C)C=1C=NC(=NC1)N2CCC(CC2)[C@H](C)OC3=NN4C(S3)=NC(=C4)C5=C(C=C(C=C5)S(=O)(=O)C)F"	"UUMBXZTUKTTYMG-HNNXBMFYSA-N"	"InChI=1S/C24H27FN6O3S2/c1-4-16-12-26-22(27-13-16)30-9-7-17(8-10-30)15(2)34-24-29-31-14-21(28-23(31)35-24)19-6-5-18(11-20(19)25)36(3,32)33/h5-6,11-15,17H,4,7-10H2,1-3H3/t15-/m0/s1"	""	""	""
"14505"	"DF-003"	""	"Synthetic organic"	""	""	""	""	"528429826"	"171407492"	""	""	""	""	""	""	""	"N-[4-[(2S)-2-(4-chlorophenyl)but-3-yn-2-yl]-1,3-thiazol-2-yl]-2,6-difluoro-4-piperazin-1-ylbenzamide"	""	""	"C[C@@](C#C)(C1=CSC(NC(=O)C2=C(F)C=C(C=C2F)N3CCNCC3)=N1)C4=CC=C(Cl)C=C4"	"ANRFSQHHAOCNIN-DEOSSOPVSA-N"	"InChI=1S/C24H21ClF2N4OS/c1-3-24(2,15-4-6-16(25)7-5-15)20-14-33-23(29-20)30-22(32)21-18(26)12-17(13-19(21)27)31-10-8-28-9-11-31/h1,4-7,12-14,28H,8-11H2,2H3,(H,29,30,32)/t24-/m0/s1"	"yes"	""	""
"9451"	"DF2593A"	""	"Synthetic organic"	""	""	""	""	"329968391"	"23633470"	""	""	""	""	""	""	""	"[4-[(1R)-1-(4-piperidin-1-ylbutanoylamino)ethyl]phenyl] trifluoromethanesulfonate"	""	""	"C[C@H](c1ccc(cc1)OS(=O)(=O)C(F)(F)F)NC(=O)CCCN1CCCCC1"	"QCZKLPFIGVYGPA-CQSZACIVSA-N"	"InChI=1S/C18H25F3N2O4S/c1-14(22-17(24)6-5-13-23-11-3-2-4-12-23)15-7-9-16(10-8-15)27-28(25,26)18(19,20)21/h7-10,14H,2-6,11-13H2,1H3,(H,22,24)/t14-/m1/s1"	""	""	""
"12231"	"DF2726"	""	"Synthetic organic"	""	""	""	""	"473153819"	"45110930"	""	""	""	""	""	""	""	"2-methyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanoic acid"	""	"DF2726 (acid form)|DF2726A (sodium salt)"	"CC(C(=O)O)(C)c1ccc(cc1)Nc1scc(n1)C(F)(F)F"	"TVKXUJXIOMUVFS-UHFFFAOYSA-N"	"InChI=1S/C14H13F3N2O2S/c1-13(2,11(20)21)8-3-5-9(6-4-8)18-12-19-10(7-22-12)14(15,16)17/h3-7H,1-2H3,(H,18,19)(H,20,21)"	""	""	""
"12230"	"DF2755A"	""	"Synthetic organic"	""	""	""	""	"473153818"	"45110932"	""	""	"CHEMBL4520228"	""	""	""	""	"(2S)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanoic acid"	""	"DF 2755A|DF-2755A"	"C[C@H](C(=O)O)c1ccc(Nc2nc(cs2)C(F)(F)F)cc1"	"OUGCUPYREMACGK-ZETCQYMHSA-N"	"InChI=1S/C13H11F3N2O2S/c1-7(11(19)20)8-2-4-9(5-3-8)17-12-18-10(6-21-12)13(14,15)16/h2-7H,1H3,(H,17,18)(H,19,20)/t7-/m0/s1"	""	""	""
"14177"	"DF3016A"	""	"Synthetic organic"	""	""	""	""	"518520804"	"176516533"	""	""	""	""	""	""	""	"5-[1-(4-{[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-1H-1,2,3,4-tetrazol-1-ide"	""	"DF-3016A"	"FC(C=1N=C(SC1)NC2=CC=C(C=C2)C(C)C3=NN=N[N-]3)(F)F"	"PAABTMXSERBYBX-UHFFFAOYSA-N"	"InChI=1S/C13H10F3N6S/c1-7(11-19-21-22-20-11)8-2-4-9(5-3-8)17-12-18-10(6-23-12)13(14,15)16/h2-7H,1H3,(H-,17,18,19,20,21,22)/q-1"	""	""	""
"12515"	"DF3966A"	""	"Synthetic organic"	""	""	""	""	"479821305"	"167993649"	""	""	""	""	""	""	""	"5-[(1R)-1-(4-{[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-1H-1,2,3,4-tetrazol-1-ide"	""	""	"FC(C=1N=C(SC1)NC2=CC=C(C=C2)[C@@H](C)C3=NN=N[N-]3)(F)F"	"PAABTMXSERBYBX-SSDOTTSWSA-N"	"InChI=1S/C13H10F3N6S/c1-7(11-19-21-22-20-11)8-2-4-9(5-3-8)17-12-18-10(6-23-12)13(14,15)16/h2-7H,1H3,(H-,17,18,19,20,21,22)/q-1/t7-/m1/s1"	""	""	""
"3023"	"DFGYVAE"	""	"Peptide"	""	""	""	""	"135651956"	"46906168"	""	""	"CHEMBL1163804"	""	""	""	""	"(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]propanamido]pentanedioic acid"	""	""	"OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccccc1)C"	"RRCWAJVJCDGGKS-UQPWSHDPSA-N"	"InChI=1S/C37H49N7O13/c1-19(2)31(36(55)40-20(3)32(51)42-25(37(56)57)13-14-29(47)48)44-35(54)27(16-22-9-11-23(45)12-10-22)41-28(46)18-39-34(53)26(15-21-7-5-4-6-8-21)43-33(52)24(38)17-30(49)50/h4-12,19-20,24-27,31,45H,13-18,38H2,1-3H3,(H,39,53)(H,40,55)(H,41,46)(H,42,51)(H,43,52)(H,44,54)(H,47,48)(H,49,50)(H,56,57)/t20-,24-,25-,26-,27-,31-/m0/s1"	""	""	""
"4654"	"D-fructose"	""	"Metabolite"	""	""	""	""	"178101370"	"5984"	""	""	""	""	""	""	""	"(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one"	""	""	"OC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O"	"BJHIKXHVCXFQLS-UYFOZJQFSA-N"	"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1"	""	""	""
"4722"	"D-fucose"	""	"Metabolite"	""	""	""	""	"178101433"	"94270"	""	""	""	""	""	""	""	"(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal"	""	""	"O=C[C@@H]([C@H]([C@H]([C@H](O)C)O)O)O"	"PNNNRSAQSRJVSB-DPYQTVNSSA-N"	"InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6-/m1/s1"	""	""	""
"5822"	"DG-041"	""	"Synthetic organic"	""	""	""	""	"178102447"	"11296282"	""	""	"CHEMBL565591"	""	""	""	""	"(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-N-(4,5-dichlorothiophen-2-yl)sulfonylprop-2-enamide"	""	"DTSI"	"Clc1ccc(c(c1)Cl)Cn1cc(c2c1c(/C=C/C(=O)NS(=O)(=O)c1sc(c(c1)Cl)Cl)cc(c2)F)C"	"BFBTVZNKWXWKNZ-HWKANZROSA-N"	"InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+"	""	""	""
"6548"	"DG-051"	""	"Synthetic organic"	""	""	""	""	"178103162"	"44537807"	""	""	"CHEMBL565789"	""	""	""	""	"4-[(2S)-2-[4-(4-chlorophenoxy)phenoxymethyl]pyrrolidin-1-yl]butanoic acid"	""	"compound 20 [PMID: 19950900]"	"OC(=O)CCCN1CCC[C@H]1COc1ccc(cc1)Oc1ccc(cc1)Cl"	"PVCTYSQBVIGZRU-KRWDZBQOSA-N"	"InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/m0/s1"	""	""	""
"4646"	"D-galactose"	""	"Metabolite"	""	""	""	""	"178101363"	"439357"	""	""	"CHEMBL1233058"	""	""	""	""	"(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol"	""	""	"OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@H]1O)O)O"	"WQZGKKKJIJFFOK-PHYPRBDBSA-N"	"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1"	""	""	""
"14298"	"D-GL13K"	""	"Peptide"	""	""	""	""	"523352090"	"0"	""	""	""	""	""	""	""	""	""	"DGL13K"	""	""	""	""	""	"yes"
"4535"	"D-glucosamine"	""	"Metabolite"	""	""	""	""	"178101256"	"441477"	""	""	"CHEMBL234432"	""	""	""	""	"(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol"	""	""	"OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)N"	"MSWZFWKMSRAUBD-QZABAPFNSA-N"	"InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1"	""	""	""
"4536"	"D-glucose"	""	"Metabolite"	""	""	""	""	"178101257"	"5793"	""	""	"CHEMBL1222250"	""	""	""	""	"(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol"	""	""	"OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)O)O"	"WQZGKKKJIJFFOK-GASJEMHNSA-N"	"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1"	""	""	""
"4708"	"D-glutamic acid"	""	"Metabolite"	""	""	""	""	"178101419"	"23327"	""	""	"CHEMBL76232"	""	""	""	""	"(2R)-2-aminopentanedioic acid"	""	"D-Glu|D-glutamate"	"OC(=O)CC[C@H](C(=O)O)N"	"WHUUTDBJXJRKMK-GSVOUGTGSA-N"	"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1"	""	""	""
"14551"	"dGP1_035"	""	"Peptide"	""	""	""	""	"528429872"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10244"	"DH376"	""	"Synthetic organic"	""	""	""	""	"381744926"	"129188688"	""	""	"CHEMBL3895863"	""	""	""	""	"{2-[(2R,5R)-2-benzyl-5-(but-3-yn-1-yl)piperidine-1-carbonyl]-2H-1,2,3-triazol-4-yl}bis(4-fluorophenyl)methanol"	""	"DH-376|inhibitor 38"	"C#CCO[C@@H]1CC[C@@H](N(C1)C(=O)n1ncc(n1)C(c1ccc(cc1)F)(c1ccc(cc1)F)O)Cc1ccccc1"	"GVLOFRPVRYAFKI-VSGBNLITSA-N"	"InChI=1S/C31H28F2N4O3/c1-2-18-40-28-17-16-27(19-22-6-4-3-5-7-22)36(21-28)30(38)37-34-20-29(35-37)31(39,23-8-12-25(32)13-9-23)24-10-14-26(33)15-11-24/h1,3-15,20,27-28,39H,16-19,21H2/t27-,28-/m1/s1"	""	""	""
"3366"	"DH97"	""	"Synthetic organic"	""	""	""	""	"178100390"	"3467177"	""	""	"CHEMBL1327247"	""	""	""	""	"N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide"	""	""	"CCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2c1cccc2"	"HDOIPCLEKCEANF-UHFFFAOYSA-N"	"InChI=1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25)"	""	""	""
"4006"	"DH&beta;E"	""	"Synthetic organic"	""	""	""	""	"178100832"	"31762"	""	""	"CHEMBL293950"	""	""	""	""	"(1S,16S)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.0^{1,13}.0^{2,7}]heptadeca-2(7),13-dien-4-one"	""	"dihydro-&beta;-erythroidine"	"CO[C@H]1CC=C2[C@]3(C1)N(CC2)CCC1=C3CC(=O)OC1"	"ALSKYCOJJPXPFS-BBRMVZONSA-N"	"InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1"	""	""	""
"4679"	"D-histidine"	""	"Metabolite"	""	""	""	""	"178101393"	"71083"	""	""	"CHEMBL104875"	""	""	""	""	"(2R)-2-amino-3-(1H-imidazol-4-yl)propanoic acid"	""	""	"N[C@@H](C(=O)O)Cc1c[nH]cn1"	"HNDVDQJCIGZPNO-RXMQYKEDSA-N"	"InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m1/s1"	""	""	""
"14035"	"DHP-103"	""	"Synthetic organic"	""	""	""	""	"518520662"	"176516517"	""	""	""	""	""	""	""	"3,5-dimethyl 4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3,5-dicarboxylate"	""	""	"[H]C1NC([H])C(C(C1C(=O)OC)C2=CC(=C(F)C=C2)C(F)(F)F)C(=O)OC"	"SNEJWTCBDKAWJP-UHFFFAOYSA-N"	"InChI=1S/C16H17F4NO4/c1-24-14(22)9-6-21-7-10(15(23)25-2)13(9)8-3-4-12(17)11(5-8)16(18,19)20/h3-5,9-10,13,21H,6-7H2,1-2H3"	""	""	""
"11555"	"diABZI-4"	""	"Synthetic organic"	""	""	""	""	"441604927"	"132000148"	""	""	""	""	""	""	""	"1-[(E)-4-[5-carbamoyl-7-[3-(dimethylamino)propoxy]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazole-5-carboxamide"	""	"Example 39 [WO2017175147A1]"	"COc1cc(cc2c1n(C/C=C/Cn1/c(=N/C(=O)c3cc(nn3CC)C)/[nH]c3c1c(OCCCN(C)C)cc(c3)C(=O)N)/c(=N/C(=O)c1cc(nn1CC)C)/[nH]2)C(=O)N"	"MXHZAYVEIKSPIA-ZHACJKMWSA-N"	"InChI=1S/C40H49N13O6/c1-8-52-29(17-23(3)47-52)37(56)45-39-43-27-19-25(35(41)54)21-31(58-7)33(27)50(39)14-10-11-15-51-34-28(20-26(36(42)55)22-32(34)59-16-12-13-49(5)6)44-40(51)46-38(57)30-18-24(4)48-53(30)9-2/h10-11,17-22H,8-9,12-16H2,1-7H3,(H2,41,54)(H2,42,55)(H,43,45,56)(H,44,46,57)/b11-10+"	""	""	""
"10800"	"diacerein"	""	"Synthetic organic"	"yes"	""	""	""	"405560241"	"26248"	""	""	"CHEMBL41286"	""	""	""	""	"4,5-diacetyloxy-9,10-dioxoanthracene-2-carboxylic acid"	"diacerein"	"Artrodar&reg;|Fisiodar&reg;"	"CC(=O)Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1OC(=O)C)C(=O)O"	"TYNLGDBUJLVSMA-UHFFFAOYSA-N"	"InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)"	""	""	"yes"
"5957"	"diacylglycerol kinase inhibitor II"	""	"Synthetic organic"	""	""	""	""	"178102580"	"657356"	""	""	"CHEMBL261131"	""	""	""	""	"3-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one"	""	"R 59 949|R59949"	"Fc1ccc(cc1)C(=C1CCN(CC1)CCn1c(=S)[nH]c2c(c1=O)cccc2)c1ccc(cc1)F"	"ZCNBZFRECRPCKU-UHFFFAOYSA-N"	"InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)"	""	""	""
"1065"	"diadenosine diphosphate"	""	"Metabolite"	""	""	""	""	"135651440"	"188326"	""	""	""	""	""	""	""	"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate"	""	"diadenosine pyrophosphate|diadenosine-5',5'-pyrophosphate"	"OC[C@H]1O[C@@H]([C@@H]([C@@H]1OP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O)O)n1cnc2c1ncnc2N"	"FHISWBUCBBVWGG-SNESVTBZSA-N"	"InChI=1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(33)11(32)8(41-19)2-39-44(35,36)43-45(37,38)42-14-7(1-31)40-20(13(14)34)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20+/m1/s1"	""	""	""
"5830"	"diamide 7"	""	"Synthetic organic"	""	""	""	""	"178102455"	"53233899"	""	""	"CHEMBL1770298"	""	""	""	""	"N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide"	""	""	"Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O"	"AHTURLVFIJHCLS-UHFFFAOYSA-N"	"InChI=1S/C22H22N2O3S/c1-13-7-6-8-14(2)19(13)23-22(27)20(18-12-11-15(3)28-18)24-21(26)16-9-4-5-10-17(16)25/h4-12,20,25H,1-3H3,(H,23,27)(H,24,26)"	""	""	""
"9082"	"diamorphine"	""	"Synthetic organic"	""	""	""	""	"315661167"	"5462328"	""	""	"CHEMBL459324"	""	""	""	""	"[(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] acetate"	""	"acetomorphine|diacetylmorphine|heroin"	"CC(=O)O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC(=O)C"	"GVGLGOZIDCSQPN-PVHGPHFFSA-N"	"InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1"	"yes"	""	""
"2825"	"diarylpropionitrile"	""	"Synthetic organic"	""	""	""	""	"53801030"	"102614"	""	""	"CHEMBL334773"	""	""	""	""	"2,3-bis(4-hydroxyphenyl)propanenitrile"	""	"DPN"	"N#CC(c1ccc(cc1)O)Cc1ccc(cc1)O"	"GHZHWDWADLAOIQ-UHFFFAOYSA-N"	"InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2"	""	""	""
"3364"	"diazepam"	""	"Synthetic organic"	"yes"	""	""	""	"178100389"	"3016"	""	""	"CHEMBL12"	""	""	""	""	"7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one"	"diazepam"	"Diastat&reg;|LA-III|Valium&reg;|WY-3467"	"Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1"	"AAOVKJBEBIDNHE-UHFFFAOYSA-N"	"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3"	""	""	""
"13821"	"diazoquinomycin H"	""	"Natural product"	""	""	""	""	"507750454"	"134815171"	""	""	""	""	""	""	""	"6-methyl-4-(7-methyloctyl)-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone"	""	""	"CC1=CC(=O)NC2=C1C(=O)C3=C(C2=O)NC(=O)C=C3CCCCCCC(C)C"	"ZMMKQTMMGUIIJM-UHFFFAOYSA-N"	"InChI=1S/C22H26N2O4/c1-12(2)8-6-4-5-7-9-14-11-16(26)24-20-18(14)21(27)17-13(3)10-15(25)23-19(17)22(20)28/h10-12H,4-9H2,1-3H3,(H,23,25)(H,24,26)"	""	""	"yes"
"2409"	"diazoxide"	""	"Synthetic organic"	"yes"	""	""	""	"135650176"	"3019"	""	""	"CHEMBL181"	""	""	""	""	"7-chloro-3-methyl-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide"	"diazoxide"	"Proglycem&reg;|SCH-6783|SRG-95213"	"Clc1ccc2c(c1)S(=O)(=O)N=C(N2)C"	"GDLBFKVLRPITMI-UHFFFAOYSA-N"	"InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)"	""	""	""
"4176"	"diBA-(5)-C4"	""	"Synthetic organic"	""	""	""	""	"178100995"	"2733616"	""	""	""	""	""	""	""	"1,3-dibutyl-5-[5-(1,3-dibutyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)penta-2,4-dien-1-ylidene]-1,3-diazinane-2,4,6-trione"	""	"bis-(1,3-dibutylbarbituric acid)pentamethine oxanol|oxalon dye"	"CCCCN1C(=O)C(=CC=CC=Cc2c(O)n(CCCC)c(=O)n(c2=O)CCCC)C(=O)N(C1=O)CCCC"	"CQAPPGVBCMJDML-UHFFFAOYSA-N"	"InChI=1S/C29H42N4O6/c1-5-9-18-30-24(34)22(25(35)31(28(30)38)19-10-6-2)16-14-13-15-17-23-26(36)32(20-11-7-3)29(39)33(27(23)37)21-12-8-4/h13-17,34H,5-12,18-21H2,1-4H3"	""	""	""
"12134"	"dibekacin"	""	"Synthetic organic"	"yes"	""	""	""	"472319256"	"470999"	""	""	"CHEMBL560976"	""	""	""	""	"(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol"	"dibekacin"	"3',4'-dideoxykanamycin B|debecacin"	"C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]1[C@H](C[C@H]([C@@H]([C@H]1O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)N)O)N)N)N"	"JJCQSGDBDPYCEO-XVZSLQNASA-N"	"InChI=1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1"	""	""	"yes"
"13154"	"dibenamine"	""	"Synthetic organic"	""	""	""	""	"491299936"	"5820"	""	""	"CHEMBL3305685"	""	""	""	""	"N,N-dibenzyl-2-chloroethanamine"	""	"dibenzylchlorethamine"	"C1=CC=C(C=C1)CN(CCCl)CC2=CC=CC=C2"	"GSLWSSUWNCJILM-UHFFFAOYSA-N"	"InChI=1S/C16H18ClN/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2"	""	""	""
"6472"	"dibenzoxazepine"	""	"Synthetic organic"	""	""	""	""	"178103086"	"9213"	""	""	"CHEMBL1085100"	""	""	""	""	"benzo[b][1,5]benzoxazepine"	""	"CR gas"	"c1ccc2c(c1)Oc1ccccc1C=N2"	"NPUACKRELIJTFM-UHFFFAOYSA-N"	"InChI=1S/C13H9NO/c1-3-7-12-10(5-1)9-14-11-6-2-4-8-13(11)15-12/h1-9H"	""	""	""
"7159"	"dibucaine"	""	"Synthetic organic"	"yes"	""	""	""	"178103734"	"3025"	""	""	"CHEMBL1086"	""	""	""	""	"2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboximidic acid"	"cinchocaine"	"Cincain &reg;|cincaine chloride|Nupercaine &reg;"	"CCCCOc1nc2ccccc2c(c1)C(=NCCN(CC)CC)O"	"PUFQVTATUTYEAL-UHFFFAOYSA-N"	"InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)"	""	""	""
"6295"	"dibutyl phthalate"	""	"Synthetic organic"	""	""	""	""	"178102915"	"3026"	""	""	"CHEMBL272485"	""	""	""	""	"dibutyl benzene-1,2-dicarboxylate"	""	"di-n-butyl phthalate|n-butyl phthalate|nutyl phthalate"	"CCCCOC(=O)c1ccccc1C(=O)OCCCC"	"DOIRQSBPFJWKBE-UHFFFAOYSA-N"	"InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3"	""	""	""
"4645"	"D-<i>chiro</i>-inositol"	""	"Metabolite"	""	""	""	""	"178101362"	"892"	""	""	"CHEMBL1231671"	""	""	""	""	"(1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol"	""	"DCI"	"O[C@@H]1[C@H](O)[C@@H](O)[C@@H]([C@H]([C@H]1O)O)O"	"CDAISMWEOUEBRE-LKPKBOIGSA-N"	"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m0/s1"	""	""	""
"4518"	"dichloroacetate"	""	"Synthetic organic"	""	""	""	""	"178101243"	"25975"	""	""	"CHEMBL13960"	""	""	""	""	"2,2-dichloroacetate"	""	"DCA|dichloroacetic acid"	"ClC(C(=O)[O-])Cl"	"JXTHNDFMNIQAHM-UHFFFAOYSA-M"	"InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1"	""	""	""
"3701"	"Dickkopf 1"	"Human"	"Peptide"	""	""	""	""	"178100590"	"0"	"O94907"	"ENSG00000107984"	""	""	""	""	""	""	""	"Dickkopf-related protein 1|DKK 1"	""	""	""	""	""	""
"2714"	"diclofenac"	""	"Synthetic organic"	"yes"	""	""	""	"135650177"	"3033"	""	""	"CHEMBL139"	""	""	""	""	"2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid"	"diclofenac"	"Cataflam&reg;|CGP-45840B|GP-45840|Voltaren&reg;|Voltarol&reg;"	"OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl"	"DCOPUUMXTXDBNB-UHFFFAOYSA-N"	"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)"	"yes"	""	""
"6807"	"diclofenamide"	""	"Synthetic organic"	"yes"	""	""	""	"178103413"	"3038"	""	""	"CHEMBL17"	""	""	""	""	"4,5-dichlorobenzene-1,3-disulfonamide"	"diclofenamide"	"Daranide&reg;|dichlofenamide|dichlorphenamide|glauconide|Keveyis&reg;"	"Clc1cc(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N"	"GJQPMPFPNINLKP-UHFFFAOYSA-N"	"InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)"	""	""	""
"12261"	"dicloxacillin"	""	"Synthetic organic"	"yes"	""	""	""	"473153849"	"18381"	""	""	"CHEMBL893"	""	""	""	""	"(2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"dicloxacillin"	"BRL-1702|Diclocil&reg;|Dynapen&reg;"	"Cc1c(c(no1)c1c(cccc1Cl)Cl)C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O"	"YFAGHNZHGGCZAX-JKIFEVAISA-N"	"InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1"	""	""	"yes"
"6808"	"dicumarol"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103414"	"54676038"	""	""	"CHEMBL1466"	""	""	""	""	"4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-2H-chromen-2-one"	""	"bishydroxycoumarin|Melitoxin&reg;"	"O=c1oc2ccccc2c(c1Cc1c(=O)oc2c(c1O)cccc2)O"	"DOBMPNYZJYQDGZ-UHFFFAOYSA-N"	"InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2"	""	""	""
"355"	"dicyclomine"	""	"Synthetic organic"	"yes"	""	""	""	"135650178"	"3042"	""	""	"CHEMBL1123"	""	""	""	""	"2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate"	"dicycloverine"	"Bentyl&reg;|Byclomine&reg;"	"CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC"	"CURUTKGFNZGFSE-UHFFFAOYSA-N"	"InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3"	""	""	""
"4833"	"didanosine"	""	"Synthetic organic"	"yes"	""	""	""	"178101535"	"135398739"	""	""	"CHEMBL1460"	""	""	""	""	"9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-3H-purin-6-one"	"didanosine"	"dideoxyinosine|Videx EC&reg;"	"OC[C@@H]1CC[C@@H](O1)n1cnc2c1[nH]cnc2=O"	"BXZVVICBKDXVGW-NKWVEPMBSA-N"	"InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1"	""	""	""
"4177"	"DIDS"	""	"Synthetic organic"	""	""	""	""	"178100996"	"40600"	""	""	""	""	""	""	""	"5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzene-1-sulfonic acid"	""	"4,4'-diisothiocyanostilbene-2,2'-disulphonic acid|ABC inhibitor 2"	"S=C=Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)N=C=S"	"YSCNMFDFYJUPEF-UHFFFAOYSA-N"	"InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)"	""	""	""
"7160"	"dienestrol"	""	"Synthetic organic"	"yes"	""	""	""	"178103735"	"667476"	""	""	"CHEMBL1018"	""	""	""	""	"4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol"	"dienestrol"	"Estraguard&reg;"	"C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O"	"NFDFQCUYFHCNBW-SCGPFSFSSA-N"	"InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+"	""	""	""
"7654"	"dienogest"	""	"Synthetic organic"	"yes"	""	""	""	"223365989"	"68861"	""	""	"CHEMBL1201864"	""	""	""	""	"2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile"	"dienogest"	"dienogestrel|STS-557"	"N#CC[C@]1(O)CC[C@@H]2[C@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@H]21"	"AZFLJNIPTRTECV-FUMNGEBKSA-N"	"InChI=1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1"	""	""	""
"7161"	"diethylpropion"	""	"Synthetic organic"	"yes"	""	""	""	"178103736"	"7029"	""	""	"CHEMBL1194666"	""	""	""	""	"2-(diethylamino)-1-phenylpropan-1-one"	"amfepramone"	"diethylpropion hydrochloride|Prefamone|Regenon&reg;"	"CCN(C(C(=O)c1ccccc1)C)CC"	"XXEPPPIWZFICOJ-UHFFFAOYSA-N"	"InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3"	""	""	""
"2801"	"diethylstilbestrol"	""	"Synthetic organic"	"yes"	""	""	""	"135651472"	"448537"	""	""	"CHEMBL411"	""	""	""	""	"4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol"	"diethylstilbestrol"	"stilboestrol"	"CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O"	"RGLYKWWBQGJZGM-ISLYRVAYSA-N"	"InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+"	""	""	""
"9776"	"difamilast"	""	"Synthetic organic"	"yes"	""	""	""	"354702249"	"57855696"	""	""	""	""	""	""	""	"N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide"	"difamilast"	"Adquey&reg;|example 352 [WO2007058338]|MM36|Moizerto&reg;|OPA-15406"	"CCOc1ccccc1C(=O)NCc1coc(n1)c1ccc(c(c1)OC(C)C)OC(F)F"	"VFBILHPIHUPBPZ-UHFFFAOYSA-N"	"InChI=1S/C23H24F2N2O5/c1-4-29-18-8-6-5-7-17(18)21(28)26-12-16-13-30-22(27-16)15-9-10-19(32-23(24)25)20(11-15)31-14(2)3/h5-11,13-14,23H,4,12H2,1-3H3,(H,26,28)"	"yes"	""	""
"9044"	"difelikefalin"	""	"Peptide"	"yes"	""	""	""	"315661129"	"24794466"	""	""	""	""	""	""	""	"4-amino-1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidine-4-carboxylic acid"	"difelikefalin"	"CR845|D-Phe-D-Phe-D-Leu-D-Lys-[&gamma;-(4-N-piperidinyl)amino carboxylic acid]|FE-202845|Kapruvia&reg;|Korsuva&reg;|SEQ ID NO: 2"	"NCCCC[C@H](C(=O)N1CCC(CC1)(N)C(=O)O)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)N)Cc1ccccc1)CC(C)C"	"FWMNVWWHGCHHJJ-SKKKGAJSSA-N"	"InChI=1S/C36H53N7O6/c1-24(2)21-29(32(45)40-28(15-9-10-18-37)34(47)43-19-16-36(39,17-20-43)35(48)49)42-33(46)30(23-26-13-7-4-8-14-26)41-31(44)27(38)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,37-39H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)(H,48,49)/t27-,28-,29-,30-/m1/s1"	"yes"	""	""
"7592"	"difenoxin"	""	"Synthetic organic"	"yes"	""	""	""	"223365927"	"34328"	""	""	"CHEMBL1201321"	""	""	""	""	"1-[3-cyano-3,3-di(phenyl)propyl]-4-phenylpiperidine-4-carboxylic acid"	"difenoxin"	"difenoxin hydrochloride|MCN-JR-15,403-11|Motofen&reg;|R-15403"	"N#CC(c1ccccc1)(c1ccccc1)CCN1CCC(CC1)(C(=O)O)c1ccccc1"	"UFIVBRCCIRTJTN-UHFFFAOYSA-N"	"InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)"	""	""	""
"11062"	"difficidin"	""	"Natural product"	""	""	""	""	"405560503"	"6438594"	""	""	""	""	""	""	""	"[(4E,6E,12Z,14Z,16E)-7,19-dimethyl-2-[(3E)-3-methylhexa-3,5-dienyl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] dihydrogen phosphate"	""	""	"C=C/C=C(/CCC1C/C=C/C=C(\C)/C(CCC/C=C\C=C/C=C/CC(C(=C)CC(=O)O1)C)OP(=O)(O)O)\C"	"ZUWUQYGHRURWCL-XUIVTPDHSA-N"	"InChI=1S/C31H45O6P/c1-6-17-25(2)22-23-29-20-16-15-19-27(4)30(37-38(33,34)35)21-14-12-10-8-7-9-11-13-18-26(3)28(5)24-31(32)36-29/h6-11,13,15-17,19,26,29-30H,1,5,12,14,18,20-24H2,2-4H3,(H2,33,34,35)/b9-7-,10-8-,13-11+,16-15+,25-17+,27-19+"	""	""	"yes"
"10080"	"diflapolin"	""	"Synthetic organic"	""	""	""	""	"375973267"	"4560409"	""	""	""	""	""	""	""	"1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-(3,4-dichlorophenyl)urea"	""	""	"O=C(Nc1ccc(cc1C)OCc1nc2c(s1)cccc2)Nc1ccc(c(c1)Cl)Cl"	"FGXLEECGXSDIMM-UHFFFAOYSA-N"	"InChI=1S/C22H17Cl2N3O2S/c1-13-10-15(29-12-21-26-19-4-2-3-5-20(19)30-21)7-9-18(13)27-22(28)25-14-6-8-16(23)17(24)11-14/h2-11H,12H2,1H3,(H2,25,27,28)"	"yes"	""	""
"7068"	"diflorasone diacetate"	""	"Synthetic organic"	"yes"	""	""	""	"178103647"	"71414"	""	""	"CHEMBL1200545"	""	""	""	""	"[2-[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyloxy-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate"	"diflorasone"	"Psorcon&reg;|U-34865"	"CC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F)C(=O)COC(=O)C"	"BOBLHFUVNSFZPJ-JOYXJVLSSA-N"	"InChI=1S/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(31)6-7-23(19,4)25(18,28)21(32)11-24(17,5)26(13,35-15(3)30)22(33)12-34-14(2)29/h6-7,9,13,17-18,20-21,32H,8,10-12H2,1-5H3/t13-,17-,18-,20-,21-,23-,24-,25-,26-/m0/s1"	"yes"	""	""
"10801"	"difloxacin"	""	"Synthetic organic"	""	""	""	""	"405560242"	"56206"	""	""	"CHEMBL6259"	""	""	""	""	"6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid"	"difloxacin"	"A 56619|A-56619|Dicural&reg;"	"CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2c1ccc(cc1)F)C(=O)O"	"NOCJXYPHIIZEHN-UHFFFAOYSA-N"	"InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)"	""	""	"yes"
"7162"	"diflunisal"	""	"Synthetic organic"	"yes"	""	""	""	"178103737"	"3059"	""	""	"CHEMBL898"	""	""	""	""	"5-(2,4-difluorophenyl)-2-hydroxybenzoic acid"	"diflunisal"	"Attrogy&reg;|Dolobid&reg;"	"Fc1ccc(c(c1)F)c1ccc(c(c1)C(=O)O)O"	"HUPFGZXOMWLGNK-UHFFFAOYSA-N"	"InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)"	"yes"	""	""
"7776"	"difluoroagomelatine"	""	"Synthetic organic"	""	""	""	""	"223366109"	"57381112"	""	""	"CHEMBL1946221"	""	""	""	""	"2,2-difluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide"	""	""	"COc1ccc2c(c1)c(CCNC(=O)C(F)F)ccc2"	"UTLRQLQDJLNKNY-UHFFFAOYSA-N"	"InChI=1S/C15H15F2NO2/c1-20-12-6-5-10-3-2-4-11(13(10)9-12)7-8-18-15(19)14(16)17/h2-6,9,14H,7-8H2,1H3,(H,18,19)"	""	""	""
"7474"	"difluprednate"	""	"Synthetic organic"	"yes"	""	""	""	"187051777"	"443936"	""	""	"CHEMBL1201749"	""	""	""	""	"[(6S,8S,9R,10S,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate"	"difluprednate"	"DFBA|Durezol&reg;|W-6309"	"CCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F)C(=O)COC(=O)C"	"WYQPLTPSGFELIB-JTQPXKBDSA-N"	"InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1"	"yes"	""	""
"3187"	"digeranyl bisphosphonate"	""	"Synthetic organic"	""	""	""	""	"135650180"	"11606263"	""	""	"CHEMBL258994"	""	""	""	""	"[(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptadeca-2,6,11,15-tetraen-9-yl]phosphonic acid"	""	""	"C/C(=C\CC(P(=O)(O)O)(P(=O)(O)O)C/C=C(/CCC=C(C)C)\C)/CCC=C(C)C"	"SQERRIVHBWCION-IWGRKNQJSA-N"	"InChI=1S/C21H38O6P2/c1-17(2)9-7-11-19(5)13-15-21(28(22,23)24,29(25,26)27)16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H2,22,23,24)(H2,25,26,27)/b19-13+,20-14+"	""	""	""
"6782"	"digitoxin"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103388"	"441207"	""	""	"CHEMBL254219"	""	""	""	""	"4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one"	"digitoxin"	"digitoxoside|unidigin"	"O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O"	"WDJUZGPOPHTGOT-XUDUSOBPSA-N"	"InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1"	""	""	""
"4726"	"digoxin"	""	"Natural product"	"yes"	""	""	""	"178101437"	"2724385"	""	""	"CHEMBL1751"	""	""	""	""	"4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one"	"digoxin"	"Lanoxin&reg;"	"O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O"	"LTMHDMANZUZIPE-PUGKRICDSA-N"	"InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1"	""	""	""
"9267"	"dihydrexidine"	""	"Synthetic organic"	""	""	""	""	"315661342"	"5311070"	""	""	""	""	""	""	""	"(6aS,12bR)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol"	""	"DAR 0100A|DAR-0100A|DAR0100A"	"Oc1cc2CC[C@H]3[C@H](c2cc1O)c1ccccc1CN3"	"BGOQGUHWXBGXJW-YOEHRIQHSA-N"	"InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m0/s1"	""	""	""
"6415"	"dihydrocarveol"	""	"Synthetic organic"	""	""	""	""	"178103031"	"12072"	""	""	""	""	""	""	""	"2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol"	""	"neodihydrocarveol"	"CC(=C)C1CCC(C(C1)O)C"	"KRCZYMFUWVJCLI-UHFFFAOYSA-N"	"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3"	""	""	""
"7594"	"dihydrocodeine"	""	"Synthetic organic"	"yes"	""	""	""	"223365929"	"5284543"	""	""	"CHEMBL1595"	""	""	""	""	"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol"	"dihydrocodeine"	"DF-118|Dicogesic&reg;|dihydrocodeine bitartrate|Drocode|Paracodeine&reg;"	"COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4CC[C@@H]1O)C"	"RBOXVHNMENFORY-DNJOTXNNSA-N"	"InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1"	""	""	""
"278"	"dihydroergocristine"	""	"Natural product"	""	""	""	""	"135652679"	"3065"	""	""	"CHEMBL1967279"	""	""	""	""	"N-[7-benzyl-2-hydroxy-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide"	""	""	"CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C"	"DEQITUUQPICUMR-UHFFFAOYSA-N"	"InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)"	""	""	""
"282"	"dihydroergocryptine"	""	"Synthetic organic"	""	""	""	""	"135650181"	"522609"	""	""	""	""	""	""	""	"N-[2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide"	""	"DHC|dihydroergokryptine"	"CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C"	"PBUNVLRHZGSROC-UHFFFAOYSA-N"	"InChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)"	""	""	""
"121"	"dihydroergotamine"	""	"Synthetic organic"	"yes"	""	""	""	"135650182"	"10531"	""	""	"CHEMBL1732"	""	""	""	""	"(2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide"	"dihydroergotamine"	"Brekiya&reg; (dihydroergotamine mesylate auto-injector)|D.H.E. 45&reg;|Migranal&reg;"	"CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O"	"LUZRJRNZXALNLM-JGRZULCMSA-N"	"InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1"	""	""	""
"4571"	"dihydrokainate"	""	"Synthetic organic"	""	""	""	""	"178101292"	"73755099"	""	""	""	""	""	""	""	"(2S,3S,4R)-3-(carboxylatomethyl)-4-(propan-2-yl)pyrrolidine-2-carboxylate"	""	""	"[O-]C(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)[O-])C(C)C"	"JQPDCKOQOOQUSC-OOZYFLPDSA-L"	"InChI=1S/C10H17NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h5-7,9,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)/p-2/t6-,7+,9-/m0/s1"	""	""	""
"6738"	"dihydrolipoic acid"	""	"Synthetic organic"	""	""	""	""	"178103349"	"421"	""	""	""	""	""	""	""	"6,8-bis-sulfanyloctanoic acid"	""	""	"SCCC(CCCCC(=O)O)S"	"IZFHEQBZOYJLPK-UHFFFAOYSA-N"	"InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)"	""	""	""
"1616"	"dihydromorphine"	""	"Synthetic organic"	""	""	""	""	"135650183"	"5359421"	""	""	"CHEMBL1500"	""	""	""	""	"(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol"	""	"paramorphan"	"O[C@H]1CC[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O"	"IJVCSMSMFSCRME-KBQPJGBKSA-N"	"InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1"	""	""	""
"2453"	"dihydrosphingosine"	""	"Metabolite"	""	""	""	""	"135651473"	"91486"	""	""	"CHEMBL448741"	""	""	""	""	"(2S,3R)-2-aminooctadecane-1,3-diol"	""	"dihydro-D-erythrosphingosine|sphinganine"	"CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O"	"OTKJDMGTUTTYMP-ZWKOTPCHSA-N"	"InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1"	""	""	""
"2921"	"dihydrosphingosine 1-phosphate"	""	"Metabolite"	""	""	""	""	"135650184"	"644260"	""	""	"CHEMBL78494"	""	""	""	""	"[(2S,3R)-2-amino-3-hydroxyoctadecyl] dihydrogen phosphate"	""	"dihydroS1P|sphinganine 1-phosphate|sphinganine-phosphate"	"CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O"	"YHEDRJPUIRMZMP-ZWKOTPCHSA-N"	"InChI=1S/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/t17-,18+/m0/s1"	""	""	""
"12163"	"dihydrostreptomycin"	""	"Synthetic organic"	"yes"	"yes"	""	""	"472319285"	"439369"	""	""	"CHEMBL1950576"	""	""	""	""	"2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine"	"dihydrostreptomycin"	""	"C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)N=C(N)N)O)N=C(N)N)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)NC)(CO)O"	"ASXBYYWOLISCLQ-HZYVHMACSA-N"	"InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1"	""	""	"yes"
"2856"	"dihydrotestosterone"	""	"Metabolite"	""	""	""	""	"135651474"	"10635"	""	""	"CHEMBL27769"	""	""	""	""	"(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one"	"androstanolone"	"17&beta;-hydroxy-5&alpha;-androstan-3-one|5&alpha;-dihydrotestosterone|androstanolone|DHT|stanolone"	"O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C"	"NVKAWKQGWWIWPM-ABEVXSGRSA-N"	"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1"	""	""	""
"10992"	"dihydroxybenzofuran"	""	"Synthetic organic"	""	""	""	""	"405560433"	"22994886"	""	""	""	""	""	""	""	"1-benzofuran-2,3-diol"	""	"2,3-Benzofurandiol"	"Oc1c(O)oc2c1cccc2"	"DNDWXJDUTDZBNV-UHFFFAOYSA-N"	"InChI=1S/C8H6O3/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4,9-10H"	""	""	"yes"
"4717"	"dilazep"	""	"Synthetic organic"	""	""	""	""	"178101428"	"3074"	""	""	"CHEMBL126075"	""	""	""	""	"3-{4-[3-(3,4,5-trimethoxybenzoyloxy)propyl]-1,4-diazepan-1-yl}propyl 3,4,5-trimethoxybenzoate"	"dilazep"	""	"COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC"	"QVZCXCJXTMIDME-UHFFFAOYSA-N"	"InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3"	""	""	""
"7815"	"dilmapimod"	""	"Synthetic organic"	""	""	""	""	"223366146"	"10297982"	""	""	"CHEMBL2103838"	""	""	""	""	"8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[6,5-d]pyrimidin-7-one"	"dilmapimod"	"SB-681323"	"OCC(Nc1nc(c2ccc(cc2C)F)c2c(n1)n(c(=O)cc2)c1c(F)cccc1F)CO"	"ORVNHOYNEHYKJG-UHFFFAOYSA-N"	"InChI=1S/C23H19F3N4O3/c1-12-9-13(24)5-6-15(12)20-16-7-8-19(33)30(21-17(25)3-2-4-18(21)26)22(16)29-23(28-20)27-14(10-31)11-32/h2-9,14,31-32H,10-11H2,1H3,(H,27,28,29)"	"yes"	""	""
"2298"	"diltiazem"	""	"Synthetic organic"	"yes"	""	""	""	"135650185"	"39186"	""	""	"CHEMBL23"	""	""	""	""	"[(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate"	"diltiazem"	"(+)-cis-diltiazem|Cardizem&reg;|CRD-401|D-(cis)-diltiazem|Dilacor-XR&reg;|RG-83606"	"COc1ccc(cc1)[C@@H]1Sc2ccccc2N(C(=O)[C@@H]1OC(=O)C)CCN(C)C"	"HSUGRBWQSSZJOP-RTWAWAEBSA-N"	"InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1"	""	""	""
"11208"	"DIM"	""	"Synthetic organic"	""	""	""	""	"434122268"	"3071"	""	""	""	""	""	""	""	"3-(1H-indol-3-ylmethyl)-1H-indole"	""	""	"c1ccc2c(c1)c(c[nH]2)Cc1c[nH]c2c1cccc2"	"VFTRKSBEFQDZKX-UHFFFAOYSA-N"	"InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2"	""	""	""
"1248"	"dimaprit"	""	"Synthetic organic"	""	""	""	""	"135650186"	"3077"	""	""	"CHEMBL12344"	""	""	""	""	"3-dimethylaminopropylsulfanylmethanimidamide"	""	""	"CN(CCCSC(=N)N)C"	"OLHQOJYVQUNWPL-UHFFFAOYSA-N"	"InChI=1S/C6H15N3S/c1-9(2)4-3-5-10-6(7)8/h3-5H2,1-2H3,(H3,7,8)"	""	""	""
"13435"	"dimdazenil"	""	"Synthetic organic"	""	""	""	""	"500839845"	"9885841"	""	""	"CHEMBL5095096"	""	""	""	""	"7-chloro-3-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one"	"dimdazenil"	"EVT-201|EVT201|Junoenil&reg;"	"CN1CC2=C(N=CN2C3=C(C1=O)C(=CC=C3)Cl)C4=NOC(=N4)CN(C)C"	"JCYLWUVDHLVGER-UHFFFAOYSA-N"	"InChI=1S/C17H17ClN6O2/c1-22(2)8-13-20-16(21-26-13)15-12-7-23(3)17(25)14-10(18)5-4-6-11(14)24(12)9-19-15/h4-6,9H,7-8H2,1-3H3"	""	""	""
"3049"	"dimethylallyl diphosphate"	""	"Metabolite"	""	""	""	""	"135651475"	"15983958"	""	""	""	""	""	""	""	"(3-methylbut-2-enoxy-oxidophosphoryl) phosphate"	""	"delta-prenyl diphosphate|di-CH3-allyl-Ppi|dimethylallyl-PP|dimethylallylpyrophosphate|prenyl diphosphate trianion"	"CC(=CCOP(=O)(OP(=O)([O-])[O-])[O-])C"	"CBIDRCWHNCKSTO-UHFFFAOYSA-K"	"InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)/p-3"	""	""	""
"5177"	"dimethylamine"	""	"Metabolite"	""	""	""	""	"178101867"	"674"	""	""	"CHEMBL120433"	""	""	""	""	"dimethylamine"	""	""	"CNC"	"ROSDSFDQCJNGOL-UHFFFAOYSA-N"	"InChI=1S/C2H7N/c1-3-2/h3H,1-2H3"	""	""	""
"5523"	"dimethylethylamine"	""	"Metabolite"	""	""	""	""	"178102166"	"11723"	""	""	"CHEMBL609099"	""	""	""	""	"N,N-Dimethylethanamine"	""	""	"CCN(C)C"	"DAZXVJBJRMWXJP-UHFFFAOYSA-N"	"InChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3"	""	""	""
"7045"	"dimethyl fumarate"	""	"Synthetic organic"	"yes"	""	""	""	"178103624"	"637568"	""	""	"CHEMBL2107333"	""	""	""	""	"dimethyl (E)-but-2-enedioate"	""	"BG-12|BG00012|fumaric acid|Tecfidera&reg;"	"COC(=O)/C=C/C(=O)OC"	"LDCRTTXIJACKKU-ONEGZZNKSA-N"	"InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+"	"yes"	""	""
"1203"	"dimethylhistaprodifen"	""	"Synthetic organic"	""	""	""	""	"135650187"	"10042467"	""	""	"CHEMBL11553"	""	""	""	""	"2-[2-[3,3-di(phenyl)propyl]-3H-imidazol-4-yl]-N,N-dimethylethanamine"	""	""	"CN(CCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1)C"	"GNBOIGBQIBQOIA-UHFFFAOYSA-N"	"InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)"	""	""	""
"9939"	"dimethyl itaconate"	""	"Synthetic organic"	""	""	""	""	"363894233"	"69240"	""	""	""	""	""	""	""	"dimethyl 2-methylidenebutanedioate"	""	"dimethylitaconate|itaconic acid dimethyl ester"	"COC(=O)CC(=C)C(=O)OC"	"ZWWQRMFIZFPUAA-UHFFFAOYSA-N"	"InChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h1,4H2,2-3H3"	"yes"	""	""
"14059"	"dimethyl shikonin oxime 5a"	""	"Synthetic organic"	""	""	""	""	"518520686"	"132427043"	""	""	"CHEMBL5406411"	""	""	""	""	"[1-[5-(hydroxyamino)-1,4-dimethoxy-8-nitrosonaphthalen-2-yl]-2,2-dimethylbut-3-enyl] furan-2-carboxylate"	""	"DSO-5a"	"CC(C)(C=C)C(C1=C(C2=C(C=CC(=C2C(=C1)OC)NO)N=O)OC)OC(=O)C3=CC=CO3"	"WUXGQZUWKGBOKK-UHFFFAOYSA-N"	"InChI=1S/C23H24N2O7/c1-6-23(2,3)21(32-22(26)16-8-7-11-31-16)13-12-17(29-4)18-14(24-27)9-10-15(25-28)19(18)20(13)30-5/h6-12,21,24,27H,1H2,2-5H3"	""	""	""
"141"	"dimethyltryptamine"	""	"Natural product"	""	""	""	""	"135650188"	"6089"	""	""	"CHEMBL12420"	""	""	""	""	"2-(1H-indol-3-yl)-N,N-dimethylethanamine"	""	"DMT|N,N-dimethyltryptamine"	"CN(CCc1c[nH]c2c1cccc2)C"	"DMULVCHRPCFFGV-UHFFFAOYSA-N"	"InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3"	""	""	""
"365"	"dimethyl-W84"	""	"Synthetic organic"	""	""	""	""	"135650189"	"10350027"	""	""	""	""	""	""	""	"6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium"	""	""	"Cc1cccc2c1C(=O)N(C2=O)CCC[N+](CCCCCC[N+](CCCN1C(=O)c2c(C1=O)c(C)ccc2)(C)C)(C)C"	"HMXRJKOINNJHNS-UHFFFAOYSA-N"	"InChI=1S/C34H48N4O4/c1-25-15-11-17-27-29(25)33(41)35(31(27)39)19-13-23-37(3,4)21-9-7-8-10-22-38(5,6)24-14-20-36-32(40)28-18-12-16-26(2)30(28)34(36)42/h11-12,15-18H,7-10,13-14,19-24H2,1-6H3/q+2"	""	""	""
"10101"	"dimetindene"	""	"Synthetic organic"	"yes"	""	""	""	"381118811"	"21855"	""	""	"CHEMBL22108"	""	""	""	""	"N,N-dimethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine"	"dimetindene"	"(+/-)-dimethindene|dimethindene|dimethpyrindene|Fenistil&reg;|Vibrocil&reg;"	"CN(CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C"	"MVMQESMQSYOVGV-UHFFFAOYSA-N"	"InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3"	"yes"	""	""
"10307"	"diminazene"	""	"Synthetic organic"	""	""	""	""	"381744988"	"2354"	""	""	"CHEMBL35241"	""	""	""	""	""	""	"Azidin&reg;|Berenil&reg;|Pirocide&reg;"	"NC(=N)c1ccc(cc1)NN=Nc1ccc(cc1)C(=N)N"	"XNYZHCFCZNMTFY-UHFFFAOYSA-N"	"InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)"	"yes"	""	""
"7379"	"dinaciclib"	""	"Synthetic organic"	""	""	""	""	"178103951"	"46926350"	""	""	"CHEMBL2103840"	""	""	""	""	"2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol"	"dinaciclib"	"SCH727965"	"OCC[C@@H]1CCCCN1c1cc(NCc2ccc[n+](c2)[O-])n2c(n1)c(CC)cn2"	"PIMQWRZWLQKKBJ-SFHVURJKSA-N"	"InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1"	"yes"	""	""
"7979"	"dinutuximab"	""	"Antibody"	"yes"	""	""	""	"249565662"	"0"	""	""	""	""	""	""	""	""	"dinutuximab"	"APN-311|Ch14.18|MAb-14.18|Unituxin&reg;"	""	""	""	""	""	""
"4589"	"DIOA"	""	"Synthetic organic"	""	""	""	""	"178101310"	"5017"	""	""	"CHEMBL346777"	""	""	""	""	"2-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]acetic acid"	""	"dihydroindenyl-oxyalkanoic acid"	"CCCCC1(Cc2c(C1=O)c(Cl)c(c(c2)OCC(=O)O)Cl)C1CCCC1"	"YAWWQIFONIPBKT-UHFFFAOYSA-N"	"InChI=1S/C20H24Cl2O4/c1-2-3-8-20(13-6-4-5-7-13)10-12-9-14(26-11-15(23)24)17(21)18(22)16(12)19(20)25/h9,13H,2-8,10-11H2,1H3,(H,23,24)"	""	""	""
"2916"	"dioctanoylglycerol pyrophosphate"	""	"Synthetic organic"	""	""	""	""	"135650190"	"10051843"	""	""	"CHEMBL191055"	""	""	""	""	"[(2R)-3-(hydroxy-phosphonooxyphosphoryl)oxy-2-octanoyloxypropyl] octanoate"	""	"DGPP|DGPP 8:0"	"CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC)COP(=O)(OP(=O)(O)O)O"	"MBDSUZSCJLRKPC-QGZVFWFLSA-N"	"InChI=1S/C19H38O11P2/c1-3-5-7-9-11-13-18(20)27-15-17(16-28-32(25,26)30-31(22,23)24)29-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,25,26)(H2,22,23,24)/t17-/m1/s1"	""	""	""
"5512"	"dioleoylphosphatidic acid"	""	"Metabolite"	""	""	""	""	"178102157"	"9547172"	""	""	""	""	""	""	""	"[1-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-octadec-9-enoate"	""	"dioleoyl phosphatidic acid|doPA"	"CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)O"	"MHUWZNTUIIFHAS-CLFAGFIQSA-N"	"InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)/b19-17-,20-18-"	""	""	""
"840"	"dioscin"	""	"Synthetic organic"	""	""	""	""	"135650191"	"119245"	""	""	"CHEMBL507001"	""	""	""	""	""	""	""	"OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O"	"VNONINPVFQTJOC-ZGXDEBHDSA-N"	"InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1"	""	""	""
"13861"	"diosmetin"	""	"Natural product"	""	""	""	""	"513757546"	"5281612"	""	""	"CHEMBL90568"	""	""	""	""	"5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one"	""	"luteolin 4-methyl ether"	"COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O"	"MBNGWHIJMBWFHU-UHFFFAOYSA-N"	"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3"	""	""	""
"13748"	"diosuxentan"	""	"Synthetic organic"	""	""	""	""	"507750381"	"155097467"	""	""	""	""	""	""	""	"5-(1,3-benzodioxol-5-yl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(2-methoxyethylsulfamoyl)pyrimidin-4-amine"	""	"SC-0062|WX-013|WX013"	"COCCNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC4=C(C=C3)OCO4"	"CJPSPQBOXPPXMN-UHFFFAOYSA-N"	"InChI=1S/C20H21BrN6O7S/c1-30-5-4-26-35(28,29)27-18-17(13-2-3-15-16(8-13)34-12-33-15)19(25-11-24-18)31-6-7-32-20-22-9-14(21)10-23-20/h2-3,8-11,26H,4-7,12H2,1H3,(H,24,25,27)"	""	""	""
"1224"	"diphenhydramine"	""	"Synthetic organic"	"yes"	""	""	""	"135650192"	"3100"	""	""	"CHEMBL657"	""	""	""	""	"2-[di(phenyl)methoxy]-N,N-dimethylethanamine"	"diphenhydramine"	"Benadryl&reg;|benzhydramine|dimehydrinate"	"CN(CCOC(c1ccccc1)c1ccccc1)C"	"ZZVUWRFHKOJYTH-UHFFFAOYSA-N"	"InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3"	""	""	""
"7163"	"diphenidol"	""	"Synthetic organic"	"yes"	""	""	""	"178103738"	"3055"	""	""	"CHEMBL936"	""	""	""	""	"1,1-diphenyl-4-(piperidin-1-yl)butan-1-ol"	"difenidol"	"K-478-A|SK&F-478-J|SK&F-478A|SK-478|Vontrol&reg;"	"OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1"	"OGAKLTJNUQRZJU-UHFFFAOYSA-N"	"InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2"	""	""	""
"7164"	"diphenoxylate"	""	"Synthetic organic"	"yes"	""	""	""	"178103739"	"13505"	""	""	"CHEMBL1201294"	""	""	""	""	"ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate"	"diphenoxylate"	"Co-phenotrope|diphenoxylate HCl|Lomotil&reg;"	"CCOC(=O)C1(CCN(CC1)CCC(c1ccccc1)(c1ccccc1)C#N)c1ccccc1"	"HYPPXZBJBPSRLK-UHFFFAOYSA-N"	"InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3"	""	""	""
"4182"	"diphenylamine-2-carboxylic acid"	""	"Synthetic organic"	""	""	""	""	"178101001"	"4386"	""	""	"CHEMBL23832"	""	""	""	""	"2-(phenylamino)benzoic acid"	""	"DPC|fenamic acid|N-phenylanthranilic acid|NPA"	"OC(=O)c1ccccc1Nc1ccccc1"	"ZWJINEZUASEZBH-UHFFFAOYSA-N"	"InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)"	""	""	""
"2494"	"diphenylboronic anhydride"	""	"Synthetic organic"	""	""	""	""	"53801083"	"596810"	""	""	"CHEMBL2386188"	""	""	""	""	"di(phenyl)boranyloxy-di(phenyl)borane"	""	"diphenylborinic anhydride"	"O(B(c1ccccc1)c1ccccc1)B(c1ccccc1)c1ccccc1"	"SNQFEECGHGUHBK-UHFFFAOYSA-N"	"InChI=1S/C24H20B2O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H"	""	""	""
"7802"	"diphenyleneiodonium chloride"	""	"Synthetic organic"	""	""	""	""	"223366133"	"2733504"	""	""	""	""	""	""	""	""	""	"DPI"	"c1ccc2c(c1)[I+]c1c2cccc1.[Cl-]"	"FCFZKAVCDNTYID-UHFFFAOYSA-M"	"InChI=1S/C12H8I.ClH/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h1-8H;1H/q+1;/p-1"	""	""	""
"7165"	"diphenylpyraline"	""	"Synthetic organic"	"yes"	""	""	""	"178103740"	"3103"	""	""	"CHEMBL1492"	""	""	""	""	"4-(diphenylmethoxy)-1-methylpiperidine"	"diphenylpyraline"	"Hispril&reg;"	"CN1CCC(CC1)OC(c1ccccc1)c1ccccc1"	"OWQUZNMMYNAXSL-UHFFFAOYSA-N"	"InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3"	"yes"	""	""
"2498"	"diphenyltetrahydrofuran"	""	"Synthetic organic"	""	""	""	""	"53801080"	"70175"	""	""	"CHEMBL1628716"	""	""	""	""	"2,2-di(phenyl)oxolane"	""	""	"c1ccc(cc1)C1(CCCO1)c1ccccc1"	"ONRSPOWNRLCCGF-UHFFFAOYSA-N"	"InChI=1S/C16H16O/c1-3-8-14(9-4-1)16(12-7-13-17-16)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2"	""	""	""
"3206"	"diphosphoglycolyl proline"	""	"Synthetic organic"	""	""	""	""	"135650193"	"73755030"	""	""	""	""	""	""	""	"1-(1,2-dihydroxy-2,2-diphosphonoethyl)pyrrolidine-2-carboxylic acid"	""	"(R,S)-diphosphoglycolyl proline|diphosphoglycolyproline|DPGP"	"OC(=O)C1CCCN1C(C(P(=O)(O)O)(P(=O)(O)O)O)O"	"CDFDGXYBANXCPC-UHFFFAOYSA-N"	"InChI=1S/C7H15NO10P2/c9-5(10)4-2-1-3-8(4)6(11)7(12,19(13,14)15)20(16,17)18/h4,6,11-12H,1-3H2,(H,9,10)(H2,13,14,15)(H2,16,17,18)"	""	""	""
"3151"	"diphosphoric acid"	""	"Synthetic organic"	""	""	""	""	"135650821"	"1023"	""	""	"CHEMBL1160571"	""	""	""	""	"(phosphonooxy)phosphonic acid"	""	"phosphonooxyphosphonic acid|pyrophosphoric acid"	"OP(=O)(OP(=O)(O)O)O"	"XPPKVPWEQAFLFU-UHFFFAOYSA-N"	"InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)"	""	""	""
"9081"	"dipipanone"	""	"Synthetic organic"	"yes"	""	""	""	"315661166"	"13331"	""	""	"CHEMBL2111157"	""	""	""	""	"4,4-di(phenyl)-6-piperidin-1-ylheptan-3-one"	"dipipanone"	"Diconal tablets (dipipanone+cyclizine)|pipadone"	"CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N1CCCCC1)C"	"SVDHSZFEQYXRDC-UHFFFAOYSA-N"	"InChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3"	""	""	""
"7166"	"dipivefrine"	""	"Synthetic organic"	"yes"	""	""	""	"178103741"	"3105"	""	""	"CHEMBL1201262"	""	""	""	""	"2-[(2,2-dimethylpropanoyl)oxy]-4-[1-hydroxy-2-(methylamino)ethyl]phenyl 2,2-dimethylpropanoate"	"dipivefrine"	"Propine&reg;"	"CNCC(c1ccc(c(c1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O"	"OCUJLLGVOUDECM-UHFFFAOYSA-N"	"InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3"	""	""	""
"6452"	"dipraglurant"	""	"Synthetic organic"	""	""	""	""	"178103068"	"44557636"	""	""	"CHEMBL2346738"	""	""	""	""	"2-(4-{6-fluoroimidazo[1,2-a]pyridin-2-yl}but-1-yn-1-yl)pyridine"	"dipraglurant"	"ADX48621"	"Fc1ccc2n(c1)cc(n2)CCC#Cc1ccccn1"	"LZXMUJCJAWVHPZ-UHFFFAOYSA-N"	"InChI=1S/C16H12FN3/c17-13-8-9-16-19-15(12-20(16)11-13)7-2-1-5-14-6-3-4-10-18-14/h3-4,6,8-12H,2,7H2"	""	""	""
"1617"	"diprenorphine"	""	"Synthetic organic"	""	""	""	""	"135650194"	"443408"	""	""	"CHEMBL281786"	""	""	""	""	""	"diprenorphine"	""	"CO[C@]12CC[C@]3(C[C@@H]1C(O)(C)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(CC1)CC1CC1)ccc2O"	"OIJXLIIMXHRJJH-KNLIIKEYSA-N"	"InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1"	""	""	""
"122"	"dipropyl-5-CT"	""	"Synthetic organic"	""	""	""	""	"135650195"	"156314"	""	""	"CHEMBL1332062"	""	""	""	""	"3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide"	""	"DP-5-CT|DP5CT|N,N-dipropylcarboxamidotryptamine"	"CCCN(CCC)CCc1c[nH]c2c1cc(cc2)C(=O)N"	"DPXOFRGRKPFZOD-UHFFFAOYSA-N"	"InChI=1S/C17H25N3O/c1-3-8-20(9-4-2)10-7-14-12-19-16-6-5-13(17(18)21)11-15(14)16/h5-6,11-12,19H,3-4,7-10H2,1-2H3,(H2,18,21)"	""	""	""
"10341"	"diprovocim-1"	""	"Synthetic organic"	""	""	""	""	"381745022"	"137553173"	""	""	""	""	""	""	""	"(3S,4S)-1-{4-[(3S,4S)-3,4-bis({[(1S,2R)-2-phenylcyclopropyl]carbamoyl})pyrrolidine-1-carbonyl]benzoyl}-N3,N4-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide"	""	"compound 3 [PMID: 30272974]"	"O=C(c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1"	"ABZBNXFGYUSVCJ-UYMKNZQYSA-N"	"InChI=1S/C56H56N6O6/c63-51(57-47-25-39(47)33-13-5-1-6-14-33)43-29-61(30-44(43)52(64)58-48-26-40(48)34-15-7-2-8-16-34)55(67)37-21-23-38(24-22-37)56(68)62-31-45(53(65)59-49-27-41(49)35-17-9-3-10-18-35)46(32-62)54(66)60-50-28-42(50)36-19-11-4-12-20-36/h1-24,39-50H,25-32H2,(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+/m1/s1"	"yes"	""	""
"4807"	"dipyridamole"	""	"Synthetic organic"	"yes"	""	""	""	"178101509"	"3108"	""	""	"CHEMBL932"	""	""	""	""	"2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol"	"dipyridamole"	"Persantine&reg;"	"OCCN(c1nc(N2CCCCC2)c2c(n1)c(nc(n2)N(CCO)CCO)N1CCCCC1)CCO"	"IZEKFCXSFNUWAM-UHFFFAOYSA-N"	"InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2"	""	""	""
"1736"	"diquafosol"	""	"Synthetic organic"	""	""	""	""	"135651591"	"148197"	""	""	"CHEMBL221326"	""	""	""	""	"[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate"	"diquafosol"	"INS-365|INS365"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O"	"NMLMACJWHPHKGR-NCOIDOBVSA-N"	"InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1"	""	""	""
"12928"	"dirithromycin"	""	"Synthetic organic"	"yes"	"yes"	""	""	"485206049"	"6473883"	""	""	"CHEMBL1237072"	""	""	""	""	"(1S,2R,4R,5R,6S,7S,8R,11R,12R,13R,15R,17S)-5-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-11-ethyl-4,12-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-10,14-dioxa-16-azabicyclo[11.3.1]heptadecan-9-one"	"dirithromycin"	"AS-E 136|Dynabac&reg;|LY237216"	"CC[C@@H]1[C@@]([C@H]2[C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N[C@H](O2)COCCOC)C)(C)O"	"WLOHNSSYAXHWNR-DWIOZXRMSA-N"	"InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1"	""	""	"yes"
"9775"	"diroleuton"	""	"Synthetic organic"	""	""	""	""	"354702248"	"5280581"	""	""	"CHEMBL465183"	""	""	""	""	"(8Z,11Z,14Z)-icosa-8,11,14-trienoic acid"	"diroleuton"	"8,11,14-Eicosatrienoic acid|DGLA|dihomo-gamma-linolenic acid|DS107|Homo-gamma-linolenic acid"	"CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O"	"HOBAELRKJCKHQD-QNEBEIHSSA-N"	"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-"	"yes"	""	""
"10525"	"diroximel fumarate"	""	"Synthetic organic"	"yes"	""	""	""	"387065607"	"73330464"	""	""	"CHEMBL3989944"	""	""	""	""	"4-O-[2-(2,5-dioxopyrrolidin-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate"	"diroximel fumarate"	"ALKS-8700|ALKS8700|BIIB098|Vumerity&reg;"	"COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O"	"YIMYDTCOUQIDMT-SNAWJCMRSA-N"	"InChI=1S/C11H13NO6/c1-17-10(15)4-5-11(16)18-7-6-12-8(13)2-3-9(12)14/h4-5H,2-3,6-7H2,1H3/b5-4+"	"yes"	""	""
"13811"	"dirozalkib"	""	"Synthetic organic"	"yes"	""	""	""	"507750444"	"121260977"	""	""	""	""	""	""	""	"5-chloro-2-N-(6-methyl-5-piperidin-4-yl-2,3-dihydro-1,4-benzodioxin-8-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine"	"dirozalkib"	"compound 3 [WO2016050171A1]|XZP-3621|XZP3621"	"CC1=CC(=C2C(=C1C3CCNCC3)OCCO2)NC4=NC=C(C(=N4)NC5=CC=CC=C5S(=O)(=O)C(C)C)Cl"	"ABKQZNVWMCRCGQ-UHFFFAOYSA-N"	"InChI=1S/C27H32ClN5O4S/c1-16(2)38(34,35)22-7-5-4-6-20(22)31-26-19(28)15-30-27(33-26)32-21-14-17(3)23(18-8-10-29-11-9-18)25-24(21)36-12-13-37-25/h4-7,14-16,18,29H,8-13H2,1-3H3,(H2,30,31,32,33)"	""	""	""
"13716"	"disitamab vedotin"	""	"Antibody"	"yes"	""	""	""	"507750350"	"0"	""	""	""	""	""	""	""	""	"disitamab vedotin"	"Aidixi&reg;|RC-48|RC48-ADC"	""	""	""	""	""	""
"7167"	"disopyramide"	""	"Synthetic organic"	"yes"	""	""	""	"178103742"	"3114"	""	""	"CHEMBL517"	""	""	""	""	"4-[bis(propan-2-yl)amino]-2-phenyl-2-(pyridin-2-yl)butanimidic acid"	"disopyramide"	"Norpace&reg;|Rythmodan&reg;|SC-13957|SC-7031"	"CC(N(C(C)C)CCC(c1ccccn1)(c1ccccc1)C(=N)O)C"	"UVTNFZQICZKOEM-UHFFFAOYSA-N"	"InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)"	""	""	""
"8826"	"disprocynium24"	""	"Synthetic organic"	""	""	""	""	"252827483"	"10004133"	""	""	"CHEMBL339858"	""	""	""	""	"(2E)-1-propan-2-yl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline"	""	"1,1'-Diisopropyl-2,4'-cyanine"	"CC([n+]1ccc(c2c1cccc2)/C=c\1/ccc2c(n1C(C)C)cccc2)C"	"TYFOKKOWQOKKCH-UHFFFAOYSA-N"	"InChI=1S/C25H27N2/c1-18(2)26-16-15-21(23-10-6-8-12-25(23)26)17-22-14-13-20-9-5-7-11-24(20)27(22)19(3)4/h5-19H,1-4H3/q+1"	""	""	""
"7168"	"disulfiram"	""	"Synthetic organic"	"yes"	""	""	""	"178103743"	"3117"	""	""	"CHEMBL964"	""	""	""	""	"N,N-diethyl[(diethylcarbamothioyl)disulfanyl]carbothioamide"	"disulfiram"	"Antabuse&reg;|NSC-25953"	"CCN(C(=S)SSC(=S)N(CC)CC)CC"	"AUZONCFQVSMFAP-UHFFFAOYSA-N"	"InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3"	""	""	""
"6124"	"dithiipin-1,1,4,4-tetroxide analogue 7"	""	"Synthetic organic"	""	""	""	""	"178102745"	"9947811"	""	""	""	""	""	""	""	"2-(4-methylphenyl)-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide"	""	""	"Cc1ccc(cc1)C1=CS(=O)(=O)CCCS1(=O)=O"	"KZYCUCAZAITGMW-UHFFFAOYSA-N"	"InChI=1S/C12H14O4S2/c1-10-3-5-11(6-4-10)12-9-17(13,14)7-2-8-18(12,15)16/h3-6,9H,2,7-8H2,1H3"	""	""	""
"11963"	"divarasib"	""	"Synthetic organic"	""	""	""	""	"464244104"	"146624881"	""	""	""	""	""	""	""	"1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one"	"divarasib"	"compound 10 [PMID: 41766690]|GDC-6036|GDC6036|RG-6330|RG6330"	"C[C@H]1CN(CCN1c1c2cc(Cl)c(c(F)c2nc(OC[C@@H]2CCCN2C)n1)c1c(c(C)cc(N)n1)C(F)(F)F)C(=O)C=C"	"ZRBPIAWWRPFDPY-IRXDYDNUSA-N"	"InChI=1S/C29H32ClF4N7O2/c1-5-21(42)40-9-10-41(16(3)13-40)27-18-12-19(30)22(26-23(29(32,33)34)15(2)11-20(35)36-26)24(31)25(18)37-28(38-27)43-14-17-7-6-8-39(17)4/h5,11-12,16-17H,1,6-10,13-14H2,2-4H3,(H2,35,36)/t16-,17-/m0/s1"	""	""	""
"13087"	"divozilimab"	""	"Antibody"	"yes"	""	""	""	"491299869"	"0"	""	""	""	""	""	""	""	""	"divozilimab"	"BCD 132|BCD-132|Ivlizi&reg;"	""	""	""	"yes"	""	""
"2403"	"dizocilpine"	""	"Synthetic organic"	""	""	""	""	"135650617"	"180081"	""	""	"CHEMBL284237"	""	""	""	""	""	"dizocilpine"	"MK-801"	"C[C@]12N[C@@H](c3c2cccc3)Cc2c1cccc2"	"LBOJYSIDWZQNJS-CVEARBPZSA-N"	"InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1"	""	""	""
"11037"	"DK-507k"	""	"Synthetic organic"	""	""	""	""	"405560478"	"5271826"	""	""	"CHEMBL2365143"	""	""	""	""	"7-[(4S)-4-amino-6-azaspiro[2.4]heptan-6-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid"	""	""	"COc1c(N2C[C@H](C3(C2)CC3)N)c(F)cc2c1n(cc(c2=O)C(=O)O)[C@@H]1C[C@@H]1F"	"JYRHGXXQSIPDDP-IACUBPJLSA-N"	"InChI=1S/C20H21F2N3O4/c1-29-18-15-9(17(26)10(19(27)28)6-25(15)13-5-11(13)21)4-12(22)16(18)24-7-14(23)20(8-24)2-3-20/h4,6,11,13-14H,2-3,5,7-8,23H2,1H3,(H,27,28)/t11-,13+,14+/m0/s1"	""	""	"yes"
"10575"	"DKFZ‐251"	""	"Synthetic organic"	""	""	""	""	"404859022"	"38335241"	""	""	""	""	""	""	""	"[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate"	""	"compound 11 [PMID: 30212625]"	"O=C(Nc1c(C)nn(c1C)c1ccccc1)COC(=O)Cc1c(C)[nH]c2c1cccc2"	"OWHVQGGLXPNNBI-UHFFFAOYSA-N"	"InChI=1S/C24H24N4O3/c1-15-20(19-11-7-8-12-21(19)25-15)13-23(30)31-14-22(29)26-24-16(2)27-28(17(24)3)18-9-5-4-6-10-18/h4-12,25H,13-14H2,1-3H3,(H,26,29)"	""	""	""
"4178"	"DkTx"	""	"Peptide"	""	""	""	""	"178100997"	"0"	"P0CH43"	""	""	""	""	""	""	""	""	"Double-knot toxin"	""	""	""	""	""	""
"5799"	"D-kynurenine"	""	"Synthetic organic"	""	""	""	""	"178102424"	"1152206"	""	""	"CHEMBL1233899"	""	""	""	""	"(2R)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid"	""	""	"OC(=O)[C@@H](CC(=O)c1ccccc1N)N"	"YGPSJZOEDVAXAB-MRVPVSSYSA-N"	"InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m1/s1"	""	""	""
"11213"	"DL-175"	""	"Synthetic organic"	""	""	""	""	"434122273"	"154578239"	""	""	""	""	""	""	""	"3-(2-((4-chloronaphthalen-1-yl)oxy)ethyl)pyridine 1-oxide"	""	""	"[O-][n+]1cccc(c1)CCOc1ccc(c2c1cccc2)Cl"	"FXOVKEUUTXBOJZ-UHFFFAOYSA-N"	"InChI=1S/C17H14ClNO2/c18-16-7-8-17(15-6-2-1-5-14(15)16)21-11-9-13-4-3-10-19(20)12-13/h1-8,10,12H,9,11H2"	""	""	""
"13871"	"DL5055"	""	"Synthetic organic"	""	""	""	""	"513757556"	"142505495"	""	""	""	""	""	""	""	"N-(2,3-dihydro-1H-inden-2-yl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole-5-carboxamide"	""	"compound 6k [PMID: 40145447]|DL-5055"	"O=C(C1=C(N=C2OC=CN12)C3=CC=C4C=CC=CC4=C3)NC5CC6=C(C5)C=CC=C6"	"SHTJDFSJXHTSQU-UHFFFAOYSA-N"	"InChI=1S/C25H19N3O2/c29-24(26-21-14-18-7-3-4-8-19(18)15-21)23-22(27-25-28(23)11-12-30-25)20-10-9-16-5-1-2-6-17(16)13-20/h1-13,21H,14-15H2,(H,26,29)"	""	""	""
"2934"	"D-lactic acid"	""	"Metabolite"	""	""	""	""	"135651476"	"61503"	""	""	"CHEMBL358850"	""	""	""	""	"(2R)-2-hydroxypropanoic acid"	""	"D-lactate|R-lactic acid"	"OC(=O)[C@H](O)C"	"JVTAAEKCZFNVCJ-UWTATZPHSA-N"	"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1"	""	""	""
"2190"	"d[Leu<sup>4</sup>]AVP"	""	"Peptide"	""	""	""	""	"135652116"	"0"	""	""	""	""	""	""	""	""	""	"[deamino-Cys<sup>1</sup>,Leu<sup>4</sup>,Arg<sup>8</sup>]vasopressin"	""	""	""	""	""	""
"2189"	"d[Leu<sup>4</sup>,Dap<sup>8</sup>]VP"	""	"Peptide"	""	""	""	""	"135652117"	"0"	""	""	""	""	""	""	""	""	""	"[deamino-Cys<sup>1</sup>,Leu<sup>4</sup>,Dap<sup>8</sup>]vasopressin"	""	""	""	""	""	""
"2191"	"d[Leu<sup>4</sup>Lys<sup>8</sup>]VP"	""	"Peptide"	""	""	""	""	"135652118"	"0"	""	""	""	""	""	""	""	""	""	"[deamino-Cys<sup>1</sup>,Leu<sup>4</sup>,Lys<sup>8</sup>]vasopressin|d[Leu<sup>4</sup>,Lys<sup>8</sup>]VP|d[Leu<sup>4</sup>]LVP|d[Leu<sup>4</sup>]lysine vasopressin"	""	""	""	""	""	""
"4631"	"DL-TBOA"	""	"Synthetic organic"	""	""	""	""	"178101349"	"5311218"	""	""	"CHEMBL79140"	""	""	""	""	"(2S,3S)-2-amino-3-(phenylmethoxy)butanedioic acid"	""	"dl-threo-&beta;-benzyloxyaspartate"	"N[C@@H]([C@@H](C(=O)O)OCc1ccccc1)C(=O)O"	"BYOBCYXURWDEDS-IUCAKERBSA-N"	"InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1"	""	""	""
"4497"	"DL-threo-&beta;-hydroxyaspartate"	""	"Synthetic organic"	""	""	""	""	"178101225"	"443239"	""	""	"CHEMBL1231330"	""	""	""	""	"(2S,3S)-2-amino-3-hydroxybutanedioic acid"	""	""	"OC(=O)[C@H]([C@@H](C(=O)O)N)O"	"YYLQUHNPNCGKJQ-LWMBPPNESA-N"	"InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1"	""	""	""
"11814"	"[D-Lys3]-GHRP-6"	""	"Peptide"	""	""	""	""	"458923849"	"5311279"	""	""	""	""	""	""	""	"(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide"	""	"[D-Lys] GHRP-6"	"c1ccc(cc1)C[C@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)N"	"MGSNWNLPMHXGDD-DFWOJPNQSA-N"	"InChI=1S/C49H63N13O6/c50-20-10-8-18-39(44(53)63)58-47(66)41(22-30-12-2-1-3-13-30)61-49(68)43(24-32-27-56-38-17-7-5-15-35(32)38)62-46(65)40(19-9-11-21-51)59-48(67)42(23-31-26-55-37-16-6-4-14-34(31)37)60-45(64)36(52)25-33-28-54-29-57-33/h1-7,12-17,26-29,36,39-43,55-56H,8-11,18-25,50-52H2,(H2,53,63)(H,54,57)(H,58,66)(H,59,67)(H,60,64)(H,61,68)(H,62,65)/t36-,39-,40+,41+,42+,43-/m0/s1"	""	""	""
"4681"	"D-lysine"	""	"Metabolite"	""	""	""	""	"178101395"	"57449"	""	""	"CHEMBL319497"	""	""	""	""	"(2R)-2,6-diaminohexanoic acid"	""	""	"NCCCC[C@H](C(=O)O)N"	"KDXKERNSBIXSRK-RXMQYKEDSA-N"	"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1"	""	""	""
"5581"	"[D-Lys<sup>6</sup>]GnRH-II"	""	"Peptide"	""	""	""	""	"178102216"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"267"	"DM-1451"	""	"Synthetic organic"	""	""	""	""	"135650196"	"9847259"	""	""	""	""	""	""	""	"7-[4-[4-(2,3-dichloro-4-hydroxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one"	""	"DM 1451"	"O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1ccc(c(c1Cl)Cl)O"	"YZIVLADPQQPFLO-UHFFFAOYSA-N"	"InChI=1S/C23H27Cl2N3O3/c24-22-19(6-7-20(29)23(22)25)28-12-10-27(11-13-28)9-1-2-14-31-17-5-3-16-4-8-21(30)26-18(16)15-17/h3,5-7,15,29H,1-2,4,8-14H2,(H,26,30)"	""	""	""
"9936"	"DMAMCL"	""	"Synthetic organic"	""	""	""	""	"363894230"	"133081974"	""	""	""	""	""	""	""	"{[(3R,3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-2-oxo-2H,3H,3aH,4H,5H,7H,8H,9H,9aH,9bH-azuleno[4,5-b]furan-3-yl]methyl}dimethylazanium"	""	"compound 21 [PMID: 22985027]|dimethylaminomicheliolide"	"C[NH+](C[C@@H]1C(=O)O[C@H]2[C@H]1CCC(=C1[C@@H]2[C@](C)(O)CC1)C)C"	"ZPBIJIIQXPRJSS-WNZSCWOMSA-O"	"InChI=1S/C17H27NO3/c1-10-5-6-12-13(9-18(3)4)16(19)21-15(12)14-11(10)7-8-17(14,2)20/h12-15,20H,5-9H2,1-4H3/p+1/t12-,13-,14-,15-,17+/m0/s1"	""	""	""
"4650"	"D-mannose"	""	"Metabolite"	""	""	""	""	"178101367"	"18950"	""	""	"CHEMBL469448"	""	""	""	""	"(3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol"	""	""	"OC[C@H]1OC(O)[C@H]([C@H]([C@@H]1O)O)O"	"WQZGKKKJIJFFOK-QTVWNMPRSA-N"	"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1"	""	""	""
"9323"	"DMAT"	""	"Synthetic organic"	""	""	""	""	"318164842"	"5326976"	""	""	"CHEMBL376505"	""	""	""	""	"4,5,6,7-TETRABROMO-N,N-DIMETHYL-1H-BENZIMIDAZOL-2-AMINE"	""	"2-Dimethylamino-4,5,6,7-tetrabromo-1H-benzimidazole|CK2 Inhibitor II"	"CN(c1[nH]c2c(n1)c(Br)c(c(c2Br)Br)Br)C"	"SLPJGDQJLTYWCI-UHFFFAOYSA-N"	"InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)"	"yes"	""	""
"5958"	"DMBI"	""	"Synthetic organic"	""	""	""	""	"178102581"	"5353593"	""	""	"CHEMBL296455"	""	""	""	""	"(3E)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one"	""	"3-(4-dimethylaminobenzylidenyl)-2-indolinone"	"O=C1Nc2c(/C/1=C\c1ccc(cc1)N(C)C)cccc2"	"UAKWLVYMKBWHMX-RVDMUPIBSA-N"	"InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-11H,1-2H3,(H,18,20)/b15-11+"	""	""	""
"11484"	"DM-CHX"	""	"Synthetic organic"	""	""	""	""	"440816852"	"11956150"	""	""	""	""	""	""	""	"2-[4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-dioxopiperidin-1-yl]-N,N-dimethylacetamide"	""	"N-(N′,N′-Dimethylcarboxamidomethyl)cycloheximide"	"C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC1CC(=O)N(C(=O)C1)CC(=O)N(C)C)O"	"OIJOPHJUWUWQSD-NZBPQXDJSA-N"	"InChI=1S/C19H30N2O5/c1-11-5-12(2)19(26)14(6-11)15(22)7-13-8-16(23)21(17(24)9-13)10-18(25)20(3)4/h11-15,22H,5-10H2,1-4H3/t11-,12-,14-,15+/m0/s1"	""	""	""
"4179"	"DMCM"	""	"Synthetic organic"	""	""	""	""	"178100998"	"104999"	""	""	""	""	""	""	""	"methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate"	""	""	"COC(=O)c1ncc2c(c1CC)c1cc(OC)c(cc1[nH]2)OC"	"GADIKQPUNWAMEB-UHFFFAOYSA-N"	"InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3"	""	""	""
"3499"	"DMP696"	""	"Synthetic organic"	""	""	""	""	"178100486"	"9909468"	""	""	"CHEMBL44698"	""	""	""	""	"8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[5,1-f][1,3,5]triazin-4-amine"	""	"DMP-696"	"COCC(Nc1nc(C)nc2n1nc(c2c1ccc(cc1Cl)Cl)C)COC"	"MDWRPTOUDPFXKK-UHFFFAOYSA-N"	"InChI=1S/C18H21Cl2N5O2/c1-10-16(14-6-5-12(19)7-15(14)20)17-21-11(2)22-18(25(17)24-10)23-13(8-26-3)9-27-4/h5-7,13H,8-9H2,1-4H3,(H,21,22,23)"	""	""	""
"3967"	"DMPP"	""	"Synthetic organic"	""	""	""	""	"178100793"	"1316"	""	""	"CHEMBL134752"	""	""	""	""	"1,1-dimethyl-4-phenylpiperazin-1-ium"	""	""	"C[N+]1(C)CCN(CC1)c1ccccc1"	"MKGIQRNAGSSHRV-UHFFFAOYSA-N"	"InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1"	""	""	""
"1383"	"DM-PPP"	""	"Synthetic organic"	""	""	""	""	"135650197"	"44431042"	""	""	"CHEMBL232052"	""	""	""	""	"O4-(3,3-dimethylbutan-2-yl) O2-propyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate"	""	""	"CCCOC(=O)c1[nH]c(c(c1C)C(=O)O[C@H](C(C)(C)C)C)C"	"DOYZAIRDDZPMQZ-LBPRGKRZSA-N"	"InChI=1S/C17H27NO4/c1-8-9-21-16(20)14-10(2)13(11(3)18-14)15(19)22-12(4)17(5,6)7/h12,18H,8-9H2,1-7H3/t12-/m0/s1"	""	""	""
"635"	"D-Nal-Cys-Tyr-D-Trp-Lys-Val-Cys-Nal-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"135652119"	"0"	""	""	""	""	""	""	""	""	""	"analogue #30 [PMID: 19463875]"	""	""	""	""	""	""
"6172"	"D-Nal,Cys,Tyr,D-Trp,Orn,Val,Cys,Nal-NH<sub>2  </sub>"	""	"Peptide"	""	""	""	""	"178102793"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3871"	"dNal-<i>cyc</i>(Cys-Tyr-dTrp-Orn-Val)-Nal-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"178100708"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5960"	"DNA-PK inhibitor III"	""	"Synthetic organic"	""	""	""	""	"178102583"	"9859309"	""	""	"CHEMBL1317546"	""	""	""	""	"1-[2-hydroxy-4-(morpholin-4-yl)phenyl]ethan-1-one"	""	"IC86621"	"CC(=O)c1ccc(cc1O)N1CCOCC1"	"YHKSBKQXCWHTQL-UHFFFAOYSA-N"	"InChI=1S/C12H15NO3/c1-9(14)11-3-2-10(8-12(11)15)13-4-6-16-7-5-13/h2-3,8,15H,4-7H2,1H3"	""	""	""
"5961"	"DNA-PK inhibitor V"	""	"Synthetic organic"	""	""	""	""	"178102584"	"16760391"	""	""	"CHEMBL478980"	""	""	""	""	"2-benzoyl-5-(morpholin-4-yl)phenol"	""	"AMA37|arylmorpholine analog 37"	"Oc1cc(ccc1C(=O)c1ccccc1)N1CCOCC1"	"FALILNHGILFDLC-UHFFFAOYSA-N"	"InChI=1S/C17H17NO3/c19-16-12-14(18-8-10-21-11-9-18)6-7-15(16)17(20)13-4-2-1-3-5-13/h1-7,12,19H,8-11H2"	""	""	""
"13989"	"DNDI-6510"	""	"Synthetic organic"	""	""	""	""	"518520616"	"169408391"	""	""	""	""	""	""	""	"1-[(4S)-6-chloro-1'-isoquinolin-4-yl-1,2'-dioxospiro[3H-isoquinoline-4,3'-pyrrolidine]-2-yl]-N-methylcyclopropane-1-carboxamide"	""	"(S)-x38 DNDI-6510|DNDI6510|MAT-POS-e48723dc-2|Mpro-P3038"	"CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)C4=CN=CC5=CC=CC=C54)C6=C(C2=O)C=CC(=C6)Cl"	"FLEUPKADUSMVNQ-RUZDIDTESA-N"	"InChI=1S/C26H23ClN4O3/c1-28-23(33)26(8-9-26)31-15-25(20-12-17(27)6-7-19(20)22(31)32)10-11-30(24(25)34)21-14-29-13-16-4-2-3-5-18(16)21/h2-7,12-14H,8-11,15H2,1H3,(H,28,33)/t25-/m1/s1"	""	""	""
"14547"	"dNK1_070"	""	"Peptide"	""	""	""	""	"528429868"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14453"	"DNMT1 degrader 6k"	""	"Synthetic organic"	""	""	""	""	"528429774"	"178342668"	""	""	""	""	""	""	""	"2-(Cyclopent-1-en-1-yl)-6,7-dimethoxy-4-(4-(pyrrolidin-1-yl)piperidin-1-yl)quinazoline"	""	""	"COC1=C(OC)C=C2C(C(N3CCC(N4CCCC4)CC3)=NC(C5=CCCC5)=N2)=C1"	"DIDDMGZNRDOWDK-UHFFFAOYSA-N"	"InChI=1S/C24H32N4O2/c1-29-21-15-19-20(16-22(21)30-2)25-23(17-7-3-4-8-17)26-24(19)28-13-9-18(10-14-28)27-11-5-6-12-27/h7,15-16,18H,3-6,8-14H2,1-2H3"	""	""	""
"1489"	"dNPA"	""	"Peptide"	""	""	""	""	"135652121"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10250"	"DO264"	""	"Synthetic organic"	""	""	""	""	"381744932"	"134813646"	""	""	""	""	""	""	""	"1-[1-[3-chloro-4-[2-chloro-4-(trifluoromethoxy)phenoxy]pyridin-2-yl]piperidin-4-yl]-3-pyridin-3-ylthiourea"	""	"compound 46|DO-264"	"S=C(Nc1cccnc1)NC1CCN(CC1)c1nccc(c1Cl)Oc1ccc(cc1Cl)OC(F)(F)F"	"PIEQDBPBBQPLPL-UHFFFAOYSA-N"	"InChI=1S/C23H20Cl2F3N5O2S/c24-17-12-16(35-23(26,27)28)3-4-18(17)34-19-5-9-30-21(20(19)25)33-10-6-14(7-11-33)31-22(36)32-15-2-1-8-29-13-15/h1-5,8-9,12-14H,6-7,10-11H2,(H2,31,32,36)"	"yes"	""	""
"10243"	"DO34"	""	"Synthetic organic"	""	""	""	""	"381744925"	"129188708"	""	""	""	""	""	""	""	"tert-butyl 3-benzyl-4-{4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-1-carbonyl}piperazine-1-carboxylate"	""	"DO-34"	"O=C(N1CCN(C(C1)Cc1ccccc1)C(=O)n1nnc(c1)c1ccc(cc1)OC(F)(F)F)OC(C)(C)C"	"CQGMWUWJVBKTRM-UHFFFAOYSA-N"	"InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3"	""	""	""
"535"	"dobutamine"	""	"Synthetic organic"	"yes"	""	""	""	"135650199"	"36811"	""	""	"CHEMBL926"	""	""	""	""	"4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol"	"dobutamine"	"dobutamine hydrochloride|Dobutrex&reg;|Inotrex&reg;"	"CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O"	"JRWZLRBJNMZMFE-UHFFFAOYSA-N"	"InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3"	""	""	""
"6809"	"docetaxel"	""	"Synthetic organic"	"yes"	""	""	""	"178103415"	"148124"	""	""	"CHEMBL92"	""	""	""	""	""	"docetaxel"	"Docecad&reg;|docetaxel anhydrous|EmDOC|Taxotere&reg;"	"CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@@H]([C@H](c3ccccc3)NC(=O)OC(C)(C)C)O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O"	"ZDZOTLJHXYCWBA-VCVYQWHSSA-N"	"InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1"	""	""	""
"1051"	"docosahexaenoic acid"	""	"Metabolite"	""	""	""	""	"135651477"	"445580"	""	""	"CHEMBL367149"	""	""	""	""	"(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid"	"doconexent"	"all-cis-DHA|all-cis-docosa-4,7,10,13,16,19-hexaenoic acid|DHA|doconexent|Omega 3 fatty acid|Omega-3 marine triglycerides|Retriacyl&reg; (proposed trade name)"	"CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O"	"MBMBGCFOFBJSGT-KUBAVDMBSA-N"	"InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-"	""	""	""
"4031"	"dodecylphosphate"	""	"Synthetic organic"	""	""	""	""	"178100857"	"1550836"	""	""	""	""	""	""	""	"dodecyl phosphate"	""	"dodecanol phosphate|FAP-12|FAP12|lauryl phosphate"	"CCCCCCCCCCCCOP(=O)([O-])[O-]"	"TVACALAUIQMRDF-UHFFFAOYSA-L"	"InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)/p-2"	""	""	""
"6990"	"dodecyl-thiophosphate"	""	"Synthetic organic"	""	""	""	""	"178103569"	"10468943"	""	""	"CHEMBL191365"	""	""	""	""	"dodecoxy-dihydroxy-sulfanylidenephosphorane"	""	""	"CCCCCCCCCCCCOP(=S)(O)O"	"ISWBBUXCFWZBKC-UHFFFAOYSA-N"	"InChI=1S/C12H27O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13,14)17/h2-12H2,1H3,(H2,13,14,17)"	""	""	""
"2604"	"dofetilide"	""	"Synthetic organic"	"yes"	""	""	""	"135650201"	"71329"	""	""	"CHEMBL473"	""	""	""	""	"N-[4-[2-[2-(4-methanesulfonamidophenyl)ethyl-methylamino]ethoxy]phenyl]methanesulfonamide"	"dofetilide"	"Tikosyn&reg;|UK-68798"	"CN(CCc1ccc(cc1)NS(=O)(=O)C)CCOc1ccc(cc1)NS(=O)(=O)C"	"IXTMWRCNAAVVAI-UHFFFAOYSA-N"	"InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3"	""	""	""
"2435"	"DOG"	""	"Metabolite"	""	""	""	""	"135651479"	"148879"	""	""	"CHEMBL55267"	""	""	""	""	"[(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] octanoate"	""	"1,2-dioctanoyl-<i>sn</i>-glycerol"	"CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC)CO"	"ZQBULZYTDGUSSK-KRWDZBQOSA-N"	"InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1"	""	""	""
"153"	"(+)-DOI"	""	"Synthetic organic"	""	""	""	""	"135650203"	"6603801"	""	""	"CHEMBL1434583"	""	""	""	""	"(2S)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine"	""	""	"COc1cc(I)c(cc1C[C@@H](N)C)OC"	"BGMZUEKZENQUJY-ZETCQYMHSA-N"	"InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m0/s1"	""	""	""
"147"	"DOI"	""	"Synthetic organic"	""	""	""	""	"135650202"	"1229"	""	""	"CHEMBL6616"	""	""	""	""	"1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine"	""	"4-DOI"	"COc1cc(I)c(cc1CC(N)C)OC"	"BGMZUEKZENQUJY-UHFFFAOYSA-N"	"InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3"	""	""	""
"10011"	"dolcanatide"	""	"Peptide"	""	""	""	""	"374883898"	"91826710"	""	""	""	""	""	""	""	"(2R)-2-[[(1R,4S,7S,10S,13S,16R,21R,27S,34R,37S,40S)-10-(2-amino-2-oxoethyl)-34-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-[[(2R)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]butanoyl]amino]-37-(2-carboxyethyl)-27-[(1R)-1-hydroxyethyl]-4-methyl-40-(2-methylpropyl)-3,6,9,12,15,23,26,29,35,38,41-undecaoxo-7,13-di(propan-2-yl)-18,19,31,32-tetrathia-2,5,8,11,14,22,25,28,36,39,42-undecazabicyclo[14.13.13]dotetracontane-21-carbonyl]amino]-4-methylpentanoic acid"	""	""	"OC(=O)CC[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@H](O)C)C(=O)N[C@@H](C(=O)O)CC(C)C)C(C)C)CC(=O)N)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(=O)N)N)CC(=O)O)CCC(=O)O"	"NSPHQWLKCGGCQR-HLHYUOOASA-N"	"InChI=1S/C65H104N18O26S4/c1-25(2)15-34-55(98)80-41-24-113-110-21-38(58(101)77-37(65(108)109)16-26(3)4)71-44(87)20-69-62(105)50(30(10)84)83-61(104)40(78-51(94)29(9)70-63(106)48(27(5)6)81-57(100)35(18-43(68)86)76-64(107)49(28(7)8)82-60(41)103)23-112-111-22-39(59(102)73-32(53(96)75-34)11-13-45(88)89)79-54(97)33(12-14-46(90)91)72-56(99)36(19-47(92)93)74-52(95)31(66)17-42(67)85/h25-41,48-50,84H,11-24,66H2,1-10H3,(H2,67,85)(H2,68,86)(H,69,105)(H,70,106)(H,71,87)(H,72,99)(H,73,102)(H,74,95)(H,75,96)(H,76,107)(H,77,101)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,103)(H,83,104)(H,88,89)(H,90,91)(H,92,93)(H,108,109)/t29-,30+,31+,32-,33-,34-,35-,36-,37+,38-,39-,40-,41-,48-,49-,50-/m0/s1"	""	""	""
"3214"	"dolichol phosphate"	""	"Metabolite"	""	""	""	""	"135650204"	"5280322"	""	""	""	""	""	""	""	"{[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yl]oxy}phosphonic acid"	""	"DP"	"CC(CC/C=C(/CCC=C(C)C)\C)CCOP(=O)(O)O"	"DZHSRPJGCZHWOM-NTEUORMPSA-N"	"InChI=1S/C15H29O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,15H,5-6,8,10-12H2,1-4H3,(H2,16,17,18)/b14-9+"	""	""	""
"7365"	"dolutegravir"	""	"Synthetic organic"	"yes"	""	""	""	"178103937"	"54726191"	""	""	"CHEMBL1229211"	""	""	""	""	"(4R,12aS)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-4-methyl-6,8-dioxo-3,4,12,12a-tetrahydro-2H-pyrido[5,6]pyrazino[2,6-b][1,3]oxazine-9-carboxamide"	"dolutegravir"	"GSK 1349572|GSK-1349572|GSK1349572|S-349572|Tivicay&reg;"	"Fc1ccc(c(c1)F)CNC(=O)c1cn2C[C@@H]3OCC[C@H](N3C(=O)c2c(c1=O)O)C"	"RHWKPHLQXYSBKR-BMIGLBTASA-N"	"InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1"	""	""	""
"164"	"DOM"	""	"Synthetic organic"	""	""	""	""	"135650205"	"85875"	""	""	"CHEMBL8600"	""	""	""	""	"1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine"	""	"(RS)-DOM|STP"	"COc1cc(C)c(cc1CC(N)C)OC"	"NTJQREUGJKIARY-UHFFFAOYSA-N"	"InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3"	""	""	""
"9096"	"domagrozumab"	""	"Antibody"	""	""	""	""	"315661181"	"0"	""	""	""	""	""	""	""	""	"domagrozumab"	"clone OGD1.0.0|PF-06252616|PF06252616"	""	""	""	""	""	""
"14330"	"domatinostat"	""	"Synthetic organic"	""	""	""	""	"523352122"	"15985904"	""	""	"CHEMBL4283683"	""	""	""	""	"(E)-N-(2-aminophenyl)-3-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide"	"domatinostat"	"4SC-202"	"CN1C=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)N3C=CC(=C3)/C=C/C(=O)NC4=CC=CC=C4N"	"PRXXYMVLYKJITB-IZZDOVSWSA-N"	"InChI=1S/C23H21N5O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24/h2-16H,24H2,1H3,(H,26,29)/b11-6+"	""	""	""
"1979"	"domitroban"	""	"Synthetic organic"	""	""	""	""	"135650957"	"5312138"	""	""	"CHEMBL3301671"	""	""	""	""	"(Z)-7-[(1R,4S,5S,6S)-5-(phenylsulfonylamino)-6-bicyclo[2.2.1]heptanyl]hept-5-enoic acid"	"domitroban"	"(+)-S-145|S-145"	"OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2"	"PWTCIBWRMQFJBC-ZEMKZVSASA-N"	"InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18+,20+/m1/s1"	""	""	""
"4181"	"domoic acid"	""	"Natural product"	""	""	""	""	"178101000"	"5282253"	""	""	"CHEMBL1232313"	""	""	""	""	"(2S,3S,4S)-4-[(2Z,4E,6R)-6-carboxy-6-methylhexa-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid"	""	"domoate|NSC 288031"	"OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)/C(=C\C=C\[C@H](C(=O)O)C)/C"	"VZFRNCSOCOPNDB-AOKDLOFSSA-N"	"InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1"	""	""	""
"965"	"domperidone"	""	"Synthetic organic"	"yes"	""	""	""	"135650206"	"3151"	""	""	"CHEMBL219916"	""	""	""	""	"6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one"	"domperidone"	"Motilium&reg;|Nauzelin&reg;|R-33812"	"Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2"	"FGXWKSZFVQUSTL-UHFFFAOYSA-N"	"InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)"	""	""	""
"13983"	"domvanalimab"	""	"Antibody"	""	""	""	""	"518520610"	"0"	""	""	""	""	""	""	""	""	"domvanalimab"	"AB-154|AB154"	""	""	""	"yes"	""	""
"11830"	"donafenib"	""	"Synthetic organic"	""	""	""	""	"461663386"	"25191001"	""	""	"CHEMBL4297490"	""	""	""	""	"4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide"	""	"CM-4307|CM4307|Sorafenib-d3|Zepsun&reg;"	"C([2H])([2H])([2H])NC(=O)c1nccc(c1)Oc1ccc(cc1)NC(=O)Nc1cc(c(cc1)Cl)C(F)(F)F"	"MLDQJTXFUGDVEO-FIBGUPNXSA-N"	"InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)/i1D3"	""	""	""
"8357"	"donanemab"	""	"Antibody"	"yes"	""	""	""	"252166569"	"0"	""	""	""	""	""	""	""	""	"donanemab"	"donanemab-azbt|Kisunla&reg;|LY-3002813|LY3002813"	""	""	""	""	""	""
"10584"	"donecopride"	""	"Synthetic organic"	""	""	""	""	"404859031"	"86582973"	""	""	"CHEMBL3417009"	""	""	""	""	"1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one"	""	"compound 1 [PMID: 25793650]|MR31147"	"COc1cc(N)c(cc1C(=O)CCC1CCN(CC1)CC1CCCCC1)Cl"	"FTRZTHFGTILUPE-UHFFFAOYSA-N"	"InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3"	""	""	""
"6599"	"donepezil"	""	"Synthetic organic"	"yes"	""	""	""	"178103212"	"3152"	""	""	"CHEMBL502"	""	""	""	""	"5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-2,3-dihydroinden-1-one"	"donepezil"	"Aricept&reg;|E-2020"	"COc1cc2c(cc1OC)CC(C2=O)CC1CCN(CC1)Cc1ccccc1"	"ADEBPBSSDYVVLD-UHFFFAOYSA-N"	"InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3"	""	""	""
"13610"	"donidalorsen"	""	"Nucleic acid"	"yes"	""	""	""	"504705429"	"0"	""	""	"CHEMBL4650235"	""	""	""	""	""	"donidalorsen"	"Dawnzera&reg;|IONIS-PKK-LRx|ISIS 721744|ISIS-721744|ISIS721744"	""	""	""	""	""	""
"39"	"donitriptan"	""	"Synthetic organic"	""	""	""	""	"135650207"	"197706"	""	""	"CHEMBL1742428"	""	""	""	""	"4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile"	"donitriptan"	"F 11356"	"NCCc1c[nH]c2c1cc(OCC(=O)N1CCN(CC1)c1ccc(cc1)C#N)cc2"	"SOHCKWZVTCTQBG-UHFFFAOYSA-N"	"InChI=1S/C23H25N5O2/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19/h1-6,13,15,26H,7-12,16,24H2"	""	""	""
"10112"	"Dooku1"	""	"Synthetic organic"	""	""	""	""	"381118822"	"137321150"	""	""	""	""	""	""	""	"2-[(2,6-Dichlorobenzyl)thio)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole"	""	"Dooku 1|Dooku-1"	"Clc1cccc(c1CSc1nnc(o1)c1[nH]ccc1)Cl"	"MNPOBXLPCWFONX-UHFFFAOYSA-N"	"InChI=1S/C13H9Cl2N3OS/c14-9-3-1-4-10(15)8(9)7-20-13-18-17-12(19-13)11-5-2-6-16-11/h1-6,16H,7H2"	""	""	""
"940"	"dopamine"	""	"Metabolite"	"yes"	""	""	""	"135651480"	"681"	""	""	"CHEMBL59"	""	""	""	""	"4-(2-Aminoethyl)benzene-1,2-diol"	"dopamine"	"3-hydroxytyramine"	"NCCc1ccc(c(c1)O)O"	"VYFYYTLLBUKUHU-UHFFFAOYSA-N"	"InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2"	"yes"	""	""
"5668"	"doramapimod"	""	"Synthetic organic"	""	""	""	""	"178102296"	"156422"	""	""	"CHEMBL103667"	""	""	""	""	"3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea"	"doramapimod"	"BIRB 796BS|BIRB-796|BIRB796"	"O=C(Nc1cc(nn1c1ccc(cc1)C)C(C)(C)C)Nc1ccc(c2c1cccc2)OCCN1CCOCC1"	"MVCOAUNKQVWQHZ-UHFFFAOYSA-N"	"InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)"	"yes"	""	""
"12679"	"doravirine"	""	"Synthetic organic"	"yes"	""	""	""	"483123227"	"58460047"	""	""	"CHEMBL2364608"	""	""	""	""	"3-chloro-5-[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)pyridin-3-yl]oxybenzonitrile"	"doravirine"	"Idvynso&reg; (DOR/ISL)|MK-1439|MK1439|Pifeltro&reg;"	"CN1C(=NNC1=O)CN2C=CC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(F)(F)F"	"ZIAOVIPSKUPPQW-UHFFFAOYSA-N"	"InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)"	""	""	""
"9978"	"dordaviprone"	""	"Synthetic organic"	"yes"	""	""	""	"374883865"	"73777259"	""	""	"CHEMBL4297310"	""	""	""	""	""	"dordaviprone"	"Modeyso&reg;|ONC-201|ONC201|TIC-10|TIC10"	"Cc1ccccc1Cn1c(=O)c2CN(CCc2n2c1=NCC2)Cc1ccccc1"	"VLULRUCCHYVXOH-UHFFFAOYSA-N"	"InChI=1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10H,11-17H2,1H3"	"yes"	""	""
"12183"	"doripenem"	""	"Synthetic organic"	"yes"	""	""	""	"472319305"	"73303"	""	""	"CHEMBL491571"	""	""	""	""	"(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	"doripenem"	"compound 1m [PMID: 8621362]|Doribax&reg;|S-4661"	"C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]1C[C@H](NC1)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O"	"AVAACINZEOAHHE-VFZPANTDSA-N"	"InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1"	""	""	"yes"
"4682"	"D-ornithine"	""	"Metabolite"	""	""	""	""	"178101396"	"71082"	""	""	"CHEMBL103686"	""	""	""	""	"(2R)-2,5-diaminopentanoic acid"	""	""	"N[C@@H](C(=O)O)CCCN"	"AHLPHDHHMVZTML-SCSAIBSYSA-N"	"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1"	""	""	""
"4907"	"dorsomorphin"	""	"Synthetic organic"	""	""	""	""	"178101606"	"11524144"	""	""	"CHEMBL478629"	""	""	""	""	"4-(6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine"	""	"AMPK Inhibitor, Compound C"	"C1CCN(CC1)CCOc1ccc(cc1)c1cnc2n(c1)ncc2c1ccncc1"	"XHBVYDAKJHETMP-UHFFFAOYSA-N"	"InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2"	""	""	""
"12124"	"dorzagliatin"	""	"Synthetic organic"	"yes"	""	""	""	"472319246"	"57920094"	""	""	"CHEMBL4297508"	""	""	""	""	""	"dorzagliatin"	"HMS-5552|HMS5552|RO-5305552|RO5305552|Sinogliatin"	"CC(C)C[C@@H](C(=O)Nc1nn(cc1)C[C@H](CO)O)N1CC(=CC1=O)Oc1ccccc1Cl"	"HMUMWSORCUWQJO-QAPCUYQASA-N"	"InChI=1S/C22H27ClN4O5/c1-14(2)9-18(22(31)24-20-7-8-26(25-20)11-15(29)13-28)27-12-16(10-21(27)30)32-19-6-4-3-5-17(19)23/h3-8,10,14-15,18,28-29H,9,11-13H2,1-2H3,(H,24,25,31)/t15-,18+/m1/s1"	""	""	""
"6810"	"dorzolamide"	""	"Synthetic organic"	"yes"	""	""	""	"178103416"	"5284549"	""	""	"CHEMBL218490"	""	""	""	""	"4-ethylamino-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[5,4-b]thiopyran-2-sulfonamide"	"dorzolamide"	"Trusopt&reg;"	"CCN[C@H]1C[C@H](C)S(=O)(=O)c2c1cc(s2)S(=O)(=O)N"	"IAVUPMFITXYVAF-XPUUQOCRSA-N"	"InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1"	""	""	""
"12710"	"dosimertinib"	""	"Synthetic organic"	""	""	""	""	"483123258"	"162623670"	""	""	""	""	""	""	""	"3,3-dideuterio-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide"	""	"compound 2h [PMID: 33459024]"	"O=C(C=C([2H])[2H])NC1=CC(NC2=NC(C3=CN(C4=C3C=CC=C4)C([2H])([2H])[2H])=CC=N2)=C(OC)C=C1N(CCN(C)C)C"	"DUYJMQONPNNFPI-ZFTIYMCPSA-N"	"InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)/i1D2,5D3"	""	""	""
"11518"	"dostarlimab"	""	"Antibody"	"yes"	""	""	""	"441604890"	"0"	""	""	""	""	""	""	""	""	"dostarlimab"	"ANB-011|dostarlimab-gxly|Jemperli&reg;|TSR-042|WBP-285"	""	""	""	"yes"	""	""
"7549"	"dosulepin"	""	"Synthetic organic"	"yes"	""	""	""	"223365885"	"5282426"	""	""	"CHEMBL108947"	""	""	""	""	"(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine"	"dosulepin"	"Dothep&reg;|dothiepin|Prothiaden&reg;"	"CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C"	"PHTUQLWOUWZIMZ-BOPFTXTBSA-N"	"InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-"	""	""	""
"5538"	"DOTA"	""	"Synthetic organic"	""	""	""	""	"178102180"	"121841"	""	""	"CHEMBL1721515"	""	""	""	""	"2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid"	"tetraxetan"	"NSC 681107"	"OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O"	"WDLRUFUQRNWCPK-UHFFFAOYSA-N"	"InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)"	""	""	""
"5645"	"DOTA-BASS"	""	"Peptide"	""	""	""	""	"178102273"	"0"	""	""	""	""	""	""	""	""	""	"DOTA-BASS analog 2"	""	""	""	""	""	""
"11912"	"DOTA/Eu relaxin-3"	""	"Peptide"	""	""	"yes"	""	"461663467"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10113"	"DOTA-<sub>JR11</sub>"	""	"Peptide"	""	""	""	""	"381118823"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11389"	"dotinurad"	""	"Synthetic organic"	"yes"	""	""	""	"440816758"	"51349053"	""	""	""	""	""	""	""	""	"dotinurad"	"FYU-981|FYU981|Urece&reg;"	"O=C(N1CS(=O)(=O)c2c1cccc2)c1cc(Cl)c(c(c1)Cl)O"	"VOFLAIHEELWYGO-UHFFFAOYSA-N"	"InChI=1S/C14H9Cl2NO4S/c15-9-5-8(6-10(16)13(9)18)14(19)17-7-22(20,21)12-4-2-1-3-11(12)17/h1-6,18H,7H2"	""	""	""
"5962"	"dovitinib"	""	"Synthetic organic"	""	""	""	""	"178102585"	"135398510"	""	""	"CHEMBL522892"	""	""	""	""	"4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-2,3-dihydroquinolin-2-one"	"dovitinib"	"Chir 258|CHIR-258|TKI 258|TKI-258"	"CN1CCN(CC1)c1ccc2c(c1)[nH]/c(=C/1\C(=O)N=c3c(=C1N)c(F)ccc3)/[nH]2"	"KCOYQXZDFIIGCY-ZZEZOPTASA-N"	"InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11,24-25H,7-10,23H2,1H3/b20-18-"	""	""	""
"13581"	"dovramilast"	""	"Synthetic organic"	""	""	""	""	"504705400"	"10322579"	""	""	"CHEMBL4297460"	""	""	""	""	"N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide"	"dovramilast"	"AMG-634|CC-11050"	"CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2CC3=C(C2=O)C(=CC=C3)NC(=O)C4CC4)OC"	"QDZOBXFRIVOQBR-LJQANCHMSA-N"	"InChI=1S/C24H28N2O6S/c1-4-32-21-12-16(10-11-20(21)31-2)19(14-33(3,29)30)26-13-17-6-5-7-18(22(17)24(26)28)25-23(27)15-8-9-15/h5-7,10-12,15,19H,4,8-9,13-14H2,1-3H3,(H,25,27)/t19-/m1/s1"	""	""	"yes"
"14550"	"dOX1_003"	""	"Peptide"	""	""	""	""	"528429871"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7169"	"doxapram"	""	"Synthetic organic"	"yes"	""	""	""	"178103744"	"3156"	""	""	"CHEMBL1754"	""	""	""	""	"1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one"	"doxapram"	"AHR-619|Dopram&reg;"	"CCN1CC(C(C1=O)(c1ccccc1)c1ccccc1)CCN1CCOCC1"	"XFDJYSQDBULQSI-UHFFFAOYSA-N"	"InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3"	""	""	""
"7170"	"doxazosin"	""	"Synthetic organic"	"yes"	""	""	""	"178103745"	"3157"	""	""	"CHEMBL707"	""	""	""	""	"2-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-6,7-dimethoxy-3,4-dihydroquinazolin-4-imine"	"doxazosin"	"Cardura&reg;|UK-3327427"	"COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2"	"RUZYUOTYCVRMRZ-UHFFFAOYSA-N"	"InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)"	""	""	""
"1225"	"doxepin"	""	"Synthetic organic"	"yes"	""	""	""	"135650208"	"667477"	""	""	"CHEMBL860"	""	""	""	""	"(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine"	"doxepin"	"Deptran&reg;|P-3693A|Sinequan&reg;"	"CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C"	"ODQWQRRAPPTVAG-GZTJUZNOSA-N"	"InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+"	""	""	""
"2790"	"doxercalciferol"	""	"Metabolite"	"yes"	""	""	""	"135651481"	"5281107"	""	""	"CHEMBL1200810"	""	""	""	""	"(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol"	"doxercalciferol"	"1&alpha;-hydroxyvitamin D2|1&alpha;OHD2|1-&alpha;-hydroxyergocalciferol"	"O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@@H](C(C)C)C)C)C)/C1"	"HKXBNHCUPKIYDM-CGMHZMFXSA-N"	"InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1"	""	""	""
"7069"	"doxorubicin"	""	"Natural product"	"yes"	""	""	""	"178103648"	"31703"	""	""	"CHEMBL53463"	""	""	""	""	"(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione"	"doxorubicin"	"Adriamycin&reg;|Caelyx&reg; (liposomal doxorubicin)|Doxil&reg;|doxorubicin hydrochloride"	"OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC"	"AOJJSUZBOXZQNB-TZSSRYMLSA-N"	"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1"	""	""	""
"6464"	"doxycycline"	""	"Synthetic organic"	"yes"	""	""	""	"178103078"	"54671203"	""	""	"CHEMBL1433"	""	""	""	""	"(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide"	"doxycycline"	"BMY-28689|Monodox&reg;|Vibramycin&reg;"	"CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1[C@@H](O)[C@@H]1[C@@H](C)c3cccc(c3C(=C1C2=O)O)O)O)O)C(=O)N)C"	"SGKRLCUYIXIAHR-AKNGSSGZSA-N"	"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1"	"yes"	"yes"	"yes"
"7171"	"doxylamine"	""	"Synthetic organic"	"yes"	""	""	""	"178103746"	"3162"	""	""	"CHEMBL1004"	""	""	""	""	"dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine"	"doxylamine"	"Unisom&reg;"	"CN(CCOC(c1ccccn1)(c1ccccc1)C)C"	"HCFDWZZGGLSKEP-UHFFFAOYSA-N"	"InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3"	""	""	""
"386"	"DPCPX"	""	"Synthetic organic"	""	""	""	""	"135650209"	"1329"	""	""	"CHEMBL183"	""	""	""	""	"8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione"	""	"1,3-DPCPX|8-cyclopentyl-1,3-dipropylxanthine|GNF-Pf-2224"	"CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1"	"FFBDFADSZUINTG-UHFFFAOYSA-N"	"InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)"	""	""	""
"1608"	"DPDPE"	""	"Peptide"	""	""	""	""	"135652122"	"104787"	""	""	"CHEMBL31421"	""	""	""	""	"(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3,3,14,14-tetramethyl-6,9,12-trioxo-7-(phenylmethyl)-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid"	""	"2,5-pen-enkephalin|D-penicillamine (2,5)-enkephalin|DPLPE"	"O=C1CNC(=O)[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)N)C(C)(C)SSC([C@@H](NC(=O)[C@@H](N1)Cc1ccccc1)C(=O)O)(C)C"	"MCMMCRYPQBNCPH-WMIMKTLMSA-N"	"InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1"	""	""	""
"2225"	"d[Pen<sup>1</sup>,Tyr(Me)<sup>2</sup>]AVP"	""	"Peptide"	""	""	""	""	"135652123"	"119517"	""	""	""	""	""	""	""	"N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-methoxyphenyl)methyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-13-(phenylmethyl)1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide"	""	"1-deaminopenicillamine-2-(O-methyl-tyr)-argipressin|dPTyr(Me)AVP"	"COc1ccc(cc1)CC1NC(=O)CC(C)(C)SSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)Cc1ccccc1)CCC(=O)N)CC(=O)N)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N"	"HNOGCDKPALYUIG-UHFFFAOYSA-N"	"InChI=1S/C49H70N14O12S2/c1-49(2)24-40(67)57-32(22-28-13-15-29(75-3)16-14-28)43(70)60-33(21-27-9-5-4-6-10-27)44(71)58-31(17-18-37(50)64)42(69)61-34(23-38(51)65)45(72)62-35(26-76-77-49)47(74)63-20-8-12-36(63)46(73)59-30(11-7-19-55-48(53)54)41(68)56-25-39(52)66/h4-6,9-10,13-16,30-36H,7-8,11-12,17-26H2,1-3H3,(H2,50,64)(H2,51,65)(H2,52,66)(H,56,68)(H,57,67)(H,58,71)(H,59,73)(H,60,70)(H,61,69)(H,62,72)(H4,53,54,55)"	""	""	""
"3865"	"D-Phe-CRF-(12-41)"	""	"Peptide"	""	""	""	""	"178100703"	"134813883"	""	""	""	""	""	""	""	""	""	"D-Phe-corticotropin-releasing factor(12-41)|D-Phe-CRF(12-41)|D-Phe<sup>12</sup>,Nle<sup>21,38</sup>,&alpha;MeLeu<sup>37</sup>-CRF"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](CC)C)CCC(=O)O)CCSC)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCN=C(N)N)CCC(=O)O)CC(C)C)CCC(=O)O)CCSC)C)CCCN=C(N)N)C)CCC(=O)O)CCC(=O)N)CC(C)C)C)CCC(=O)N)CCC(=O)N)C)Cc1nc[nH]c1)CO)CC(=O)N)CCCN=C(N)N"	"ROYJPMVPEBZLCY-FEYNDHCKSA-N"	"InChI=1S/C156H260N48O44S2/c1-23-81(15)122(152(246)204-123(153(247)248)82(16)24-2)203-141(235)101(45-52-120(216)217)189-139(233)103(54-60-250-22)192-144(238)105(62-76(5)6)196-134(228)91(35-28-29-55-157)183-132(226)93(37-31-57-172-155(165)166)185-149(243)111(69-116(162)209)199-150(244)112(72-205)201-148(242)109(67-88-70-169-73-174-88)193-127(221)86(20)177-130(224)95(39-46-113(159)206)186-135(229)96(40-47-114(160)207)181-126(220)85(19)179-142(236)104(61-75(3)4)195-138(232)97(41-48-115(161)208)187-136(230)98(42-49-117(210)211)182-125(219)84(18)176-129(223)92(36-30-56-171-154(163)164)180-124(218)83(17)178-131(225)102(53-59-249-21)191-137(231)99(43-50-118(212)213)190-145(239)108(65-79(11)12)200-151(245)121(80(13)14)202-140(234)100(44-51-119(214)215)188-133(227)94(38-32-58-173-156(167)168)184-143(237)106(63-77(7)8)197-146(240)107(64-78(9)10)198-147(241)110(68-89-71-170-74-175-89)194-128(222)90(158)66-87-33-26-25-27-34-87/h25-27,33-34,70-71,73-86,90-112,121-123,205H,23-24,28-32,35-69,72,157-158H2,1-22H3,(H2,159,206)(H2,160,207)(H2,161,208)(H2,162,209)(H,169,174)(H,170,175)(H,176,223)(H,177,224)(H,178,225)(H,179,236)(H,180,218)(H,181,220)(H,182,219)(H,183,226)(H,184,237)(H,185,243)(H,186,229)(H,187,230)(H,188,227)(H,189,233)(H,190,239)(H,191,231)(H,192,238)(H,193,221)(H,194,222)(H,195,232)(H,196,228)(H,197,240)(H,198,241)(H,199,244)(H,200,245)(H,201,242)(H,202,234)(H,203,235)(H,204,246)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,247,248)(H4,163,164,171)(H4,165,166,172)(H4,167,168,173)/t81-,82-,83-,84-,85-,86-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,121-,122-,123-/m0/s1"	""	""	""
"5797"	"D-phenylalanine"	""	"Metabolite"	""	""	""	""	"178102422"	"71567"	""	""	"CHEMBL379630"	""	""	""	""	"(2R)-2-amino-3-phenylpropanoic acid"	""	"D-(+)-phenylalanine"	"N[C@@H](C(=O)O)Cc1ccccc1"	"COLNVLDHVKWLRT-MRVPVSSYSA-N"	"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1"	""	""	""
"12418"	"D-phenyllactic acid"	""	"Natural product"	""	""	""	""	"479821209"	"444718"	""	""	""	""	""	""	""	"(2S)-2-hydroxy-3-phenylpropanoic acid"	""	"(-)-3-Phenyllactic acid|(S)-phenyllactic acid|D-PLA"	"C1=CC=C(C=C1)C[C@@H](C(=O)O)O"	"VOXXWSYKYCBWHO-QMMMGPOBSA-N"	"InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1"	""	""	""
"6181"	"[D-Phe<sup>12</sup>]bombesin"	""	"Peptide"	""	""	""	""	"178102802"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"632"	"[D-Phe<sup>6</sup>,&beta;-Ala<sup>11</sup>,Phe<sup>13</sup>,Nle<sup>14</sup>]bombesin-(6-14)"	""	"Peptide"	""	""	""	""	"135652124"	"0"	""	""	""	""	""	""	""	""	""	"[D-Phe<sup>6</sup>,&beta;-Ala<sup>11</sup>,Phe<sup>13</sup>,Nle<sup>14</sup>]bombesin(6-14)"	""	""	""	""	""	""
"6180"	"[D-Phe<sup>6</sup>]bombesin(6-13)methyl ester"	""	"Peptide"	""	""	""	""	"178102801"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6182"	"[D-Phe<sup>6</sup>]bombesin(6-13)propylamide"	""	"Peptide"	""	""	""	""	"178102803"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3840"	"[D-Phe<sup>6</sup>, Leu<sup>13</sup>, Cpa<sup>14</sup>,&psi;13-14]bombesin-(6-14)"	""	"Peptide"	""	""	""	""	"178100682"	"0"	""	""	""	""	""	""	""	""	""	"[D-Phe<sup>6</sup>,Cpa<sup>14</sup>,&psi;13-14]bombesin<sub>6-14</sub>|[D-Phe<sup>6</sup>,Leu<sup>13</sup>,Cpa<sup>14</sup>,ψ13-14]bombesin-(6-14)|analogue #7 [PMID: 19463875]"	""	""	""	""	""	""
"12494"	"[D-Phe<sup>6</sup>, Stat<sup>13</sup>, Leu<sup>14</sup>]Bn(6-14)"	""	"Peptide"	""	""	""	""	"479821284"	"0"	""	""	""	""	""	""	""	""	""	"RM-2|RM2"	""	""	""	""	""	""
"14113"	"DPK-060"	""	"Peptide"	""	""	""	""	"518520740"	"0"	""	""	""	""	""	""	""	""	""	"GKH17-WWW"	""	""	""	""	""	"yes"
"11207"	"DPO-1"	""	"Synthetic organic"	""	""	""	""	"434122267"	"21678144"	""	""	"CHEMBL1088844"	""	""	""	""	"[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-phenylphosphoryl]benzene"	""	"diphenyl phosphine oxide-1|DPO1"	"C[C@@H]1CC[C@H]([C@H](C1)P(=O)(c1ccccc1)c1ccccc1)C(C)C"	"BPCNGVCAHAIZEE-COPCDDAFSA-N"	"InChI=1S/C22H29OP/c1-17(2)21-15-14-18(3)16-22(21)24(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m1/s1"	""	""	""
"4676"	"D-proline"	""	"Metabolite"	""	""	""	""	"178101390"	"8988"	""	""	"CHEMBL80257"	""	""	""	""	"(2R)-pyrrolidine-2-carboxylic acid"	""	"D-Pro"	"OC(=O)[C@H]1CCCN1"	"ONIBWKKTOPOVIA-SCSAIBSYSA-N"	"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1"	""	""	""
"6185"	"[D-Pro<sup>4</sup>,D-Trp<sup>7,9,10</sup>]substance P (4-11)"	""	"Peptide"	""	""	""	""	"178102806"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7843"	"DQP-1105"	""	"Synthetic organic"	""	""	""	""	"223366173"	"76849261"	""	""	""	""	""	""	""	"4-[3-(4-bromophenyl)-5-(6-methyl-2-oxo-4-phenyl-3H-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid"	""	"KB-272091"	"OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)Br)C1C(=O)N=c2c(=C1c1ccccc1)cc(cc2)C"	"ACUGSRUCGXYFTL-UHFFFAOYSA-N"	"InChI=1S/C29H24BrN3O4/c1-17-7-12-22-21(15-17)27(19-5-3-2-4-6-19)28(29(37)31-22)23-16-24(18-8-10-20(30)11-9-18)33(32-23)25(34)13-14-26(35)36/h2-12,15,24,28H,13-14,16H2,1H3,(H,35,36)"	""	""	""
"8431"	"DR-4004"	""	"Synthetic organic"	""	""	""	""	"252166641"	"9843179"	""	""	"CHEMBL69257"	""	""	""	""	"2a-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one"	""	"compound 7 [PMID 10052959]"	"O=C1Nc2c3C1(CCCCN1CCC(=CC1)c1ccccc1)CCCc3ccc2"	"JBQOYPLKTTXLSQ-UHFFFAOYSA-N"	"InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)"	""	""	""
"4590"	"draflazine"	""	"Synthetic organic"	""	""	""	""	"178101311"	"60849"	""	""	"CHEMBL1628717"	""	""	""	""	"1-{[(4-amino-2,6-dichlorophenyl)carbamoyl]methyl}-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide"	"draflazine"	""	"O=C(Nc1c(Cl)cc(cc1Cl)N)CN1CCN(CC1C(=O)N)CCCCC(c1ccc(cc1)F)c1ccc(cc1)F"	"IWMYIWLIESDFRZ-UHFFFAOYSA-N"	"InChI=1S/C30H33Cl2F2N5O2/c31-25-15-23(35)16-26(32)29(25)37-28(40)18-39-14-13-38(17-27(39)30(36)41)12-2-1-3-24(19-4-8-21(33)9-5-19)20-6-10-22(34)11-7-20/h4-11,15-16,24,27H,1-3,12-14,17-18,35H2,(H2,36,41)(H,37,40)"	""	""	""
"5178"	"DRB"	""	"Synthetic organic"	""	""	""	""	"178101868"	"5894"	""	""	"CHEMBL375530"	""	""	""	""	"(2R,3R,4S,5R)-2-(5,6-dichloro-1H-1,3-benzodiazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol"	""	"5,6-dichloro-1-&beta;-D-ribofuranosylbenzimidazole"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1cc(Cl)c(c2)Cl"	"XHSQDZXAVJRBMX-DDHJBXDOSA-N"	"InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2/t9-,10-,11-,12-/m1/s1"	""	""	""
"2671"	"DRF 2519"	""	"Synthetic organic"	""	""	""	""	"135650210"	"9908833"	""	""	"CHEMBL1491825"	""	""	""	""	"5-[[4-[2-(4-oxo-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione"	""	""	"O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN1COc2c(C1=O)cccc2"	"RFMNEXVCPAPDRA-UHFFFAOYSA-N"	"InChI=1S/C20H18N2O5S/c23-18-17(28-20(25)21-18)11-13-5-7-14(8-6-13)26-10-9-22-12-27-16-4-2-1-3-15(16)19(22)24/h1-8,17H,9-12H2,(H,21,23,25)"	""	""	""
"13535"	"drisapersen"	""	"Nucleic acid"	""	""	""	""	"500839945"	"121494118"	""	""	"CHEMBL2108735"	""	""	""	""	"O2'-methyl-P-thio-uridylyl-(3'->5')-O2'-methyl-P-thio-cytidylyl-(3'->5')-O2'-methyl-P-thio-adenylyl-(3'->5')-O2'-methyl-P-thio-adenylyl-(3'->5')-O2'-methyl-P-thio-guanylyl-(3'->5')-O2'-methyl-P-thio-guanylyl-(3'->5')-O2'-methyl-P-thio-adenylyl-(3'->5')-O2'-methyl-P-thio-adenylyl-(3'->5')-O2'-methyl-P-thio-guanylyl-(3'->5')-O2'-methyl-P-thio-adenylyl-(3'->5')-O2'-methyl-P-thio-uridylyl-(3'->5')-O2'-methyl-P-thio-guanylyl-(3'->5')-O2'-methyl-P-thio-guanylyl-(3'->5')-O2'-methyl-P-thio-cytidylyl-(3'->5')-O2'-methyl-P-thio-adenylyl-(3'->5')-O2'-methyl-P-thio-uridylyl-(3'->5')-O2'-methyl-P-thio-uridylyl-(3'->5')-O2'-methyl-P-thio-uridylyl-(3'->5')-O2'-methyl-P-thio-cytidylyl-(3'->5')-O2'-methyl-uridine"	"drisapersen"	"GSK2402968|Kyndrisa&reg;|PRO051"	"CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=S)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3OC)N4C=CC(=NC4=O)N)COP(=S)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5OC)N6C=CC(=O)NC6=O)COP(=S)(O)O[C@@H]7[C@H](O[C@H]([C@@H]7OC)N8C=CC(=O)NC8=O)COP(=S)(O)O[C@@H]9[C@H](O[C@H]([C@@H]9OC)N%10C=CC(=O)NC%10=O)COP(=S)(O)O[C@@H]%11[C@H](O[C@H]([C@@H]%11OC)N%12C=NC%13=C(N=CN=C%13%12)N)COP(=S)(O)O[C@@H]%14[C@H](O[C@H]([C@@H]%14OC)N%15C=CC(=NC%15=O)N)COP(=S)(O)O[C@@H]%16[C@H](O[C@H]([C@@H]%16OC)N%17C=NC%18=C%17N=C(NC%18=O)N)COP(=S)(O)O[C@@H]%19[C@H](O[C@H]([C@@H]%19OC)N%20C=NC%21=C%20N=C(NC%21=O)N)COP(=S)(O)O[C@@H]%22[C@H](O[C@H]([C@@H]%22OC)N%23C=CC(=O)NC%23=O)COP(=S)(O)O[C@@H]%24[C@H](O[C@H]([C@@H]%24OC)N%25C=NC%26=C(N=CN=C%26%25)N)COP(=S)(O)O[C@@H]%27[C@H](O[C@H]([C@@H]%27OC)N%28C=NC%29=C%28N=C(NC%29=O)N)COP(=S)(O)O[C@@H]%30[C@H](O[C@H]([C@@H]%30OC)N%31C=NC%32=C(N=CN=C%32%31)N)COP(=S)(O)O[C@@H]%33[C@H](O[C@H]([C@@H]%33OC)N%34C=NC%35=C(N=CN=C%35%34)N)COP(=S)(O)O[C@@H]%36[C@H](O[C@H]([C@@H]%36OC)N%37C=NC%38=C%37N=C(NC%38=O)N)COP(=S)(O)O[C@@H]%39[C@H](O[C@H]([C@@H]%39OC)N%40C=NC%41=C%40N=C(NC%41=O)N)COP(=S)(O)O[C@@H]%42[C@H](O[C@H]([C@@H]%42OC)N%43C=NC%44=C(N=CN=C%44%43)N)COP(=S)(O)O[C@@H]%45[C@H](O[C@H]([C@@H]%45OC)N%46C=NC%47=C(N=CN=C%47%46)N)COP(=S)(O)O[C@@H]%48[C@H](O[C@H]([C@@H]%48OC)N%49C=CC(=NC%49=O)N)COP(=S)(O)O[C@@H]%50[C@H](O[C@H]([C@@H]%50OC)N%51C=CC(=O)NC%51=O)CO)O"	"HUGILZFVSVLCAO-XVKRXUDYSA-N"	"InChI=1S/C211H275N76O119P19S19/c1-329-136-116(295)77(369-178(136)271-33-24-99(289)252-206(271)304)40-349-407(310,426)389-118-79(371-180(138(118)331-3)268-30-21-96(212)249-203(268)301)42-351-409(312,428)392-121-81(373-183(141(121)334-6)273-35-26-101(291)254-208(273)306)44-352-410(313,429)393-122-82(374-184(142(122)335-7)274-36-27-102(292)255-209(274)307)45-353-411(314,430)394-123-83(375-185(143(123)336-8)275-37-28-103(293)256-210(275)308)46-355-415(318,434)396-125-85(377-187(145(125)338-10)277-65-238-105-156(215)226-59-232-162(105)277)48-358-413(316,432)391-120-80(372-182(140(120)333-5)270-32-23-98(214)251-205(270)303)43-354-417(320,436)402-131-94(386-193(151(131)344-16)283-71-244-111-168(283)258-198(221)263-173(111)296)57-366-424(327,443)405-132-91(383-194(152(132)345-17)284-72-245-112-169(284)259-199(222)264-174(112)297)54-363-414(317,433)395-124-84(376-186(144(124)337-9)276-38-29-104(294)257-211(276)309)47-356-416(319,435)397-126-89(381-188(146(126)339-11)278-66-239-106-157(216)227-60-233-163(106)278)52-361-422(325,441)403-133-92(384-195(153(133)346-18)285-73-246-113-170(285)260-200(223)265-175(113)298)55-364-420(323,439)400-130-88(380-192(150(130)343-15)282-70-243-110-161(220)231-64-237-167(110)282)51-360-419(322,438)399-128-90(382-190(148(128)341-13)280-68-241-108-159(218)229-62-235-165(108)280)53-362-423(326,442)404-134-95(387-196(154(134)347-19)286-74-247-114-171(286)261-201(224)266-176(114)299)58-367-425(328,444)406-135-93(385-197(155(135)348-20)287-75-248-115-172(287)262-202(225)267-177(115)300)56-365-421(324,440)401-129-87(379-191(149(129)342-14)281-69-242-109-160(219)230-63-236-166(109)281)50-359-418(321,437)398-127-86(378-189(147(127)340-12)279-67-240-107-158(217)228-61-234-164(107)279)49-357-412(315,431)390-119-78(370-181(139(119)332-4)269-31-22-97(213)250-204(269)302)41-350-408(311,427)388-117-76(39-288)368-179(137(117)330-2)272-34-25-100(290)253-207(272)305/h21-38,59-95,116-155,178-197,288,295H,39-58H2,1-20H3,(H,310,426)(H,311,427)(H,312,428)(H,313,429)(H,314,430)(H,315,431)(H,316,432)(H,317,433)(H,318,434)(H,319,435)(H,320,436)(H,321,437)(H,322,438)(H,323,439)(H,324,440)(H,325,441)(H,326,442)(H,327,443)(H,328,444)(H2,212,249,301)(H2,213,250,302)(H2,214,251,303)(H2,215,226,232)(H2,216,227,233)(H2,217,228,234)(H2,218,229,235)(H2,219,230,236)(H2,220,231,237)(H,252,289,304)(H,253,290,305)(H,254,291,306)(H,255,292,307)(H,256,293,308)(H,257,294,309)(H3,221,258,263,296)(H3,222,259,264,297)(H3,223,260,265,298)(H3,224,261,266,299)(H3,225,262,267,300)/t76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,407?,408?,409?,410?,411?,412?,413?,414?,415?,416?,417?,418?,419?,420?,421?,422?,423?,424?,425?/m1/s1"	""	""	""
"10721"	"DRL-17822"	""	"Synthetic organic"	""	""	""	""	"405560186"	"58689743"	""	""	""	""	""	""	""	"3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine"	""	"DRL 17822|DRL17822|Example 57 [US20070015758A1]"	"Cn1nnc(n1)N(Cc1cc2cccc(c2nc1N(CC1CC1)CC1CC1)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F"	"OCNBSSLDAIWTKS-UHFFFAOYSA-N"	"InChI=1S/C30H31F6N7/c1-18-4-3-5-22-12-23(27(37-26(18)22)42(14-19-6-7-19)15-20-8-9-20)17-43(28-38-40-41(2)39-28)16-21-10-24(29(31,32)33)13-25(11-21)30(34,35)36/h3-5,10-13,19-20H,6-9,14-17H2,1-2H3"	""	""	""
"10740"	"drocamorelin"	""	"Synthetic organic"	""	""	""	""	"405560187"	"146170991"	""	""	""	""	""	""	""	"1‐[(1S)‐1‐(2,3‐dichloro‐4‐methoxyphenyl)ethyl]‐3‐methyl‐3‐[(4R)‐1‐methyl‐3,3‐dimethyl‐4‐piperidyl]urea"	"drocamorelin"	"AC01|HM-01|HM01"	"COc1ccc(c(c1Cl)Cl)[C@@H](NC(=O)N([C@@H]1CCN(CC1(C)C)C)C)C"	"WGIAKIIMCPKJQN-SWLSCSKDSA-N"	"InChI=1S/C19H29Cl2N3O2/c1-12(13-7-8-14(26-6)17(21)16(13)20)22-18(25)24(5)15-9-10-23(4)11-19(15,2)3/h7-8,12,15H,9-11H2,1-6H3,(H,22,25)/t12-,15+/m0/s1"	""	""	""
"6947"	"dromostanolone propionate"	""	"Synthetic organic"	"yes"	""	""	""	"178103529"	"224004"	""	""	"CHEMBL1201048"	""	""	""	""	"[(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] propanoate"	"drostanolone"	"drostanolone|Masteron&reg;"	"CCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@@H](C)C(=O)C2"	"NOTIQUSPUUHHEH-UXOVVSIBSA-N"	"InChI=1S/C23H36O3/c1-5-21(25)26-20-9-8-17-16-7-6-15-12-19(24)14(2)13-23(15,4)18(16)10-11-22(17,20)3/h14-18,20H,5-13H2,1-4H3/t14-,15+,16+,17+,18+,20+,22+,23+/m1/s1"	""	""	""
"7465"	"dronedarone"	""	"Synthetic organic"	"yes"	""	""	""	"187051768"	"208898"	""	""	"CHEMBL184412"	""	""	""	""	"N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide"	"dronedarone"	"Multaq&reg;|SR-33598B"	"CCCCc1oc2c(c1C(=O)c1ccc(cc1)OCCCN(CCCC)CCCC)cc(cc2)NS(=O)(=O)C"	"ZQTNQVWKHCQYLQ-UHFFFAOYSA-N"	"InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3"	""	""	""
"7172"	"droperidol"	""	"Synthetic organic"	"yes"	""	""	""	"178103747"	"3168"	""	""	"CHEMBL1108"	""	""	""	""	"1-(4-fluorophenyl)-4-[4-(2-hydroxy-1H-1,3-benzodiazol-1-yl)-1,2,3,6-tetrahydropyridin-1-yl]butan-1-one"	"droperidol"	"Droleptan&reg;|Inapsine&reg;|McN-JR-4749|R-4749"	"Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c(O)nc2c1cccc2"	"RMEDXOLNCUSCGS-UHFFFAOYSA-N"	"InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)"	""	""	""
"2874"	"drospirenone"	""	"Synthetic organic"	"yes"	""	""	""	"135650211"	"68873"	""	""	"CHEMBL1509"	""	""	""	""	"(1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.0^{2,4}.0^{5,10}.0^{14,19}.0^{16,18}]nonadecane-15,2'-oxolan]-5-ene-5',7-dione"	"drospirenone"	"dihydrospirorenone|Slynd&reg;|Yasmin&reg;|ZK30595"	"O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C"	"METQSPRSQINEEU-HXCATZOESA-N"	"InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1"	""	""	""
"6788"	"drotrecogin alfa"	""	"Peptide"	"yes"	"yes"	""	""	"178103394"	"0"	""	""	"CHEMBL2109065"	""	""	""	""	""	"drotrecogin alfa (activated)"	"drotrecogin alfa (activated)|HSDB 7366|Xigris&reg;"	""	""	""	""	""	""
"7391"	"droxidopa"	""	"Synthetic organic"	"yes"	""	""	""	"178103963"	"92974"	""	""	"CHEMBL2103827"	""	""	""	""	"(2S,3R)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid"	"droxidopa"	"L-DOPS|Northera&reg;|SM-5688"	"OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N"	"QXWYKJLNLSIPIN-JGVFFNPUSA-N"	"InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m0/s1"	""	""	""
"8464"	"droxinostat"	""	"Synthetic organic"	""	""	""	""	"252166674"	"568416"	""	""	"CHEMBL1526649"	""	""	""	""	"4-(4-Chloro-2-methylphenoxy)-N-hydroxybutanamide"	""	"NS-41080|NS41080"	"ONC(=O)CCCOc1ccc(cc1C)Cl"	"JHSXDAWGLCZYSM-UHFFFAOYSA-N"	"InChI=1S/C11H14ClNO3/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(14)13-15/h4-5,7,15H,2-3,6H2,1H3,(H,13,14)"	""	""	""
"4183"	"DS1"	""	"Synthetic organic"	""	""	""	""	"178101002"	"979735"	""	""	""	""	""	""	""	"4-chloro-N-[6,8-dibromo-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide"	""	""	"Clc1ccc(cc1)C(=O)Nc1c(nc2n1cc(Br)cc2Br)c1cccs1"	"MEWSBNIVOLYKGU-UHFFFAOYSA-N"	"InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)"	""	""	""
"11023"	"DS-1971a"	""	"Synthetic organic"	""	""	""	""	"405560464"	"71711862"	""	""	""	""	""	""	""	"5-chloro-2-fluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclohexyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide"	""	"compound 6o [PMID: 32392056]"	"Clc1cc(c(cc1O[C@H]1CCCC[C@@H]1c1ccnn1C)F)S(=O)(=O)Nc1ccncn1"	"OJKONCJPCULNOW-DYVFJYSZSA-N"	"InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1"	""	""	""
"4184"	"DS2"	""	"Synthetic organic"	""	""	""	""	"178101003"	"979718"	""	""	""	""	""	""	""	"4-chloro-N-[2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide"	""	"delta selective compound 2"	"Clc1ccc(cc1)C(=O)Nc1c(nc2n1cccc2)c1cccs1"	"AZKMWHRDICVYEI-UHFFFAOYSA-N"	"InChI=1S/C18H12ClN3OS/c19-13-8-6-12(7-9-13)18(23)21-17-16(14-4-3-11-24-14)20-15-5-1-2-10-22(15)17/h1-11H,(H,21,23)"	""	""	""
"10367"	"DS21360717"	""	"Synthetic organic"	""	""	""	""	"384403647"	"138393287"	""	""	""	""	""	""	""	"7-{[(1R,2S)-2-aminocyclohexyl]amino}-5-[(3-methylphenyl)amino]-4-oxo-3H,4H-pyrido[3,4-d]pyridazine-8-carbonitrile"	""	"compound 21 [Taniguchi <i>et al</i>., 2019]"	"N#Cc1c(N[C@@H]2CCCC[C@@H]2N)nc(c2c1cn[nH]c2=O)Nc1cccc(c1)C"	"VFVLUXBYMUKJIJ-DLBZAZTESA-N"	"InChI=1S/C21H23N7O/c1-12-5-4-6-13(9-12)25-20-18-15(11-24-28-21(18)29)14(10-22)19(27-20)26-17-8-3-2-7-16(17)23/h4-6,9,11,16-17H,2-3,7-8,23H2,1H3,(H,28,29)(H2,25,26,27)/t16-,17+/m0/s1"	""	""	""
"10985"	"DS-2969b"	""	"Synthetic organic"	""	""	""	""	"405560426"	"135283668"	""	""	"CHEMBL4067729"	""	""	""	""	""	""	"DS 11960558 (DS-2969b prodrug)|DS-2969|example 2 [WO2017/056012A1]"	"CO[C@H]1CN(CC[C@H]1NC(=O)c1nc(c([nH]1)CC)Cl)c1nnc(s1)C(O)(C)C"	"RFKLYBAHWNXIDR-MNOVXSKESA-N"	"InChI=1S/C17H25ClN6O3S/c1-5-9-12(18)21-13(19-9)14(25)20-10-6-7-24(8-11(10)27-4)16-23-22-15(28-16)17(2,3)26/h10-11,26H,5-8H2,1-4H3,(H,19,21)(H,20,25)/t10-,11+/m1/s1"	""	""	"yes"
"11438"	"DS37001789"	""	"Synthetic organic"	""	""	""	""	"440816807"	"46862051"	""	""	""	""	""	""	""	"1-[(2S)-4-[2-(4-acetylpiperazin-1-yl)ethanesulfonyl]-2-[(pyrrolidin-1-yl)methyl]piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethan-1-one"	""	""	"O=C(N1CCN(C[C@@H]1CN1CCCC1)S(=O)(=O)CCN1CCN(CC1)C(=O)C)COc1cc(Cl)c(cc1Cl)Cl"	"WDLHORHSBVXUET-FQEVSTJZSA-N"	"InChI=1S/C25H36Cl3N5O5S/c1-19(34)31-8-6-29(7-9-31)12-13-39(36,37)32-10-11-33(20(17-32)16-30-4-2-3-5-30)25(35)18-38-24-15-22(27)21(26)14-23(24)28/h14-15,20H,2-13,16-18H2,1H3/t20-/m0/s1"	""	""	""
"11902"	"DS-3801b free base"	""	"Synthetic organic"	""	""	""	""	"461663457"	"56960876"	""	""	""	""	""	""	""	"(1r,4r)-4-[3-(hydroxymethyl)phenoxy]-N-methyl-N-(3-methyl-4-{[(3S)-3-methylpiperazin-1-yl]methyl}phenyl)cyclohexane-1-carboxamide"	""	"compound 12 [PMID: 35051575]"	"C[C@H]1CN(Cc2ccc(cc2C)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2cc(CO)ccc2)CCN1"	"XCVUPJBVKKACQB-KJOQGJGQSA-N"	"InChI=1S/C28H39N3O3/c1-20-15-25(10-7-24(20)18-31-14-13-29-21(2)17-31)30(3)28(33)23-8-11-26(12-9-23)34-27-6-4-5-22(16-27)19-32/h4-7,10,15-16,21,23,26,29,32H,8-9,11-14,17-19H2,1-3H3/t21-,23-,26-/m0/s1"	""	""	""
"8395"	"DS-437"	""	"Synthetic organic"	""	""	""	""	"252166606"	"91827358"	""	""	""	""	""	""	""	"1-[2-[[(2S,3R,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]ethyl]-3-ethylurea"	""	"DS437"	"CCNC(=O)NCCSC[C@H]1OC([C@@H]([C@H]1O)O)n1cnc2c1ncnc2N"	"CACMCLIHCDTJHL-XLAISSFRSA-N"	"InChI=1S/C15H23N7O4S/c1-2-17-15(25)18-3-4-27-5-8-10(23)11(24)14(26-8)22-7-21-9-12(16)19-6-20-13(9)22/h6-8,10-11,14,23-24H,2-5H2,1H3,(H2,16,19,20)(H2,17,18,25)/t8-,10+,11-,14?/m1/s1"	""	""	""
"12004"	"DS69910557"	""	"Synthetic organic"	""	""	""	""	"464244145"	"163358786"	""	""	""	""	""	""	""	"4-[[1-[4-(2,9-dichloro-5,5-dimethyl-6-oxo-pyrido[2,3-d][1]benzazepin-7-yl)phenyl]-3-fluoro-azetidin-3-yl]methylamino]cyclohexanecarboxylic acid"	""	"Compound 19e [PMID: 35487102]|DS-69910557"	"Clc1cc2c(C(C(=O)N(c3c2ccc(c3)Cl)c2ccc(cc2)N2CC(C2)(F)CNC2CCC(CC2)C(=O)O)(C)C)nc1"	"JAOGFYSXDYNYSX-UHFFFAOYSA-N"	"InChI=1S/C32H33Cl2FN4O3/c1-31(2)28-26(13-21(34)15-36-28)25-12-5-20(33)14-27(25)39(30(31)42)24-10-8-23(9-11-24)38-17-32(35,18-38)16-37-22-6-3-19(4-7-22)29(40)41/h5,8-15,19,22,37H,3-4,6-7,16-18H2,1-2H3,(H,40,41)"	""	""	""
"12616"	"DS-7423"	""	"Synthetic organic"	""	""	""	""	"479821406"	"45378170"	""	""	""	""	""	""	""	"1-[(2R)-4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-8-yl]-2-methylpiperazin-1-yl]ethanone"	""	"DS7423"	"C[C@@H]1CN(CCN1C(=O)C)C2=NC3=C(N2CC(F)(F)F)N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N"	"SOJJMSYMCLIQCZ-CYBMUJFWSA-N"	"InChI=1S/C22H27F3N10O2/c1-13-11-33(3-4-34(13)14(2)36)21-29-16-18(32-5-7-37-8-6-32)30-17(15-9-27-20(26)28-10-15)31-19(16)35(21)12-22(23,24)25/h9-10,13H,3-8,11-12H2,1-2H3,(H2,26,27,28)/t13-/m1/s1"	""	""	""
"10082"	"DS-8500a"	""	"Synthetic organic"	""	""	""	""	"375973269"	"56959560"	""	""	""	""	""	""	""	"4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzamide"	"firuglipel"	""	"CC[C@H](c1onc(n1)c1ccc(c(c1)F)C(=O)N[C@@H](CO)C)Oc1ccc(cc1)C(=O)C1CC1"	"LRXRIKVDAVVQCP-SPLOXXLWSA-N"	"InChI=1S/C25H26FN3O5/c1-3-21(33-18-9-6-16(7-10-18)22(31)15-4-5-15)25-28-23(29-34-25)17-8-11-19(20(26)12-17)24(32)27-14(2)13-30/h6-12,14-15,21,30H,3-5,13H2,1-2H3,(H,27,32)/t14-,21-/m1/s1"	""	""	""
"10955"	"DS-8587"	""	"Synthetic organic"	""	""	""	""	"405560396"	"56640741"	""	""	""	""	""	""	""	"7-[(3aS,6aR)-6a-amino-3a-fluoro-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid"	""	"DS8587"	"Fc1cc2c(=O)c(cn(c2c(c1N1C[C@@]2([C@@](C1)(N)CCC2)F)C)[C@@H]1C[C@@H]1F)C(=O)O"	"JMXNWTLVUUGTDR-UTQQSMSJSA-N"	"InChI=1S/C21H22F3N3O3/c1-10-16-11(18(28)12(19(29)30)7-27(16)15-6-13(15)22)5-14(23)17(10)26-8-20(24)3-2-4-21(20,25)9-26/h5,7,13,15H,2-4,6,8-9,25H2,1H3,(H,29,30)/t13-,15+,20-,21+/m0/s1"	""	""	"yes"
"12534"	"DS88790512"	""	"Synthetic organic"	""	""	""	""	"479821324"	"138319685"	""	""	"CHEMBL4127600"	""	""	""	""	"4-[[(1R,2R,3aR,7aS)-2-[(3R)-3-aminopiperidin-1-yl]-7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1H-inden-1-yl]oxy]benzonitrile"	""	""	"C[C@]12CCC(=O)C[C@H]1C[C@H]([C@@H]2OC3=CC=C(C=C3)C#N)N4CCC[C@H](C4)N"	"ZHIVJKLMVJUNNQ-HFQQBTNDSA-N"	"InChI=1S/C22H29N3O2/c1-22-9-8-18(26)11-16(22)12-20(25-10-2-3-17(24)14-25)21(22)27-19-6-4-15(13-23)5-7-19/h4-7,16-17,20-21H,2-3,8-12,14,24H2,1H3/t16-,17+,20+,21-,22-/m0/s1"	""	""	""
"11842"	"DS96432529"	""	"Synthetic organic"	""	""	""	""	"461663398"	"162641696"	""	""	""	""	""	""	""	""	""	"compound 9o [PMID: 34742889]|DS-96432529"	"Nc1c(sc2nccc(c12)N1C[C@H](CCC1)COCCOCC)C(=O)N"	"GOAKYBVMJUXOFY-LBPRGKRZSA-N"	"InChI=1S/C18H26N4O3S/c1-2-24-8-9-25-11-12-4-3-7-22(10-12)13-5-6-21-18-14(13)15(19)16(26-18)17(20)23/h5-6,12H,2-4,7-11,19H2,1H3,(H2,20,23)/t12-/m0/s1"	""	""	""
"4171"	"D-serine"	""	"Metabolite"	""	""	""	""	"178100991"	"71077"	""	""	"CHEMBL285123"	""	""	""	""	"(2R)-2-amino-3-hydroxypropanoic acid"	""	""	"OC[C@H](C(=O)O)N"	"MTCFGRXMJLQNBG-UWTATZPHSA-N"	"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1"	""	""	""
"1609"	"DSLET"	""	"Peptide"	""	""	""	""	"135652126"	"107847"	""	""	"CHEMBL124283"	""	""	""	""	"(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoic acid"	""	"[D-Ser<sup>2</sup>, Leu<sup>5</sup>, Thr<sup>6</sup>]-enkephalin|Dislet|DSTLE"	"OC[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CC(C)C)Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)O)N"	"PKSODCLCMBUCPW-LVNBQDLPSA-N"	"InChI=1S/C33H46N6O10/c1-18(2)13-24(32(47)39-28(19(3)41)33(48)49)37-31(46)25(15-20-7-5-4-6-8-20)36-27(43)16-35-30(45)26(17-40)38-29(44)23(34)14-21-9-11-22(42)12-10-21/h4-12,18-19,23-26,28,40-42H,13-17,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,46)(H,38,44)(H,39,47)(H,48,49)/t19-,23+,24+,25+,26-,28+/m1/s1"	""	""	""
"9644"	"DSM265"	""	"Synthetic organic"	""	""	""	""	"340590274"	"51347395"	""	""	"CHEMBL1956285"	""	""	""	""	"2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-&lambda;<sup>6</sup>-sulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine"	""	""	"Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2c(n1)nc(n2)C(F)(F)C"	"OIZSVTOIBNSVOS-UHFFFAOYSA-N"	"InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3"	""	"yes"	""
"10020"	"DSM421"	""	"Synthetic organic"	""	""	""	""	"375973210"	"122552662"	""	""	""	""	""	""	""	"2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine"	""	""	"Cc1cc(Nc2ccc(nc2)C(F)(F)F)n2c(n1)nc(n2)C(F)(F)C"	"HDLFZCDEGAWEFX-UHFFFAOYSA-N"	"InChI=1S/C14H11F5N6/c1-7-5-10(22-8-3-4-9(20-6-8)14(17,18)19)25-12(21-7)23-11(24-25)13(2,15)16/h3-6,22H,1-2H3"	""	"yes"	""
"11219"	"DSM502"	""	"Synthetic organic"	""	""	""	""	"434122279"	"154699462"	""	""	"CHEMBL4633246"	""	""	""	""	"N-cyclopropyl-3-methyl-4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide"	""	""	"O=C(c1[nH]cc(c1C)Cc1ccc(nc1)C(F)(F)F)NC1CC1"	"AFOVOYRODSYDMK-UHFFFAOYSA-N"	"InChI=1S/C16H16F3N3O/c1-9-11(8-21-14(9)15(23)22-12-3-4-12)6-10-2-5-13(20-7-10)16(17,18)19/h2,5,7-8,12,21H,3-4,6H2,1H3,(H,22,23)"	""	"yes"	""
"11554"	"DSM705"	""	"Synthetic organic"	""	""	""	""	"441604926"	"155908677"	""	""	""	""	""	""	""	"3-methyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]-4-[1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl]-1H-pyrrole-2-carboxamide"	""	"compound 79"	"O=C(c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)N[C@@H](c1ncn[nH]1)C"	"JUBPRXDFKLPILK-LLVKDONJSA-N"	"InChI=1S/C19H19F3N6O/c1-10-13(8-24-15(10)17(29)27-11(2)16-25-9-26-28-16)18(5-6-18)12-3-4-14(23-7-12)19(20,21)22/h3-4,7-9,11,24H,5-6H2,1-2H3,(H,27,29)(H,25,26,28)/t11-/m1/s1"	""	"yes"	""
"2184"	"d[<small>D</small>-Pal<sup>2</sup>]AVP"	""	"Peptide"	""	""	""	""	"135652128"	"0"	""	""	""	""	""	""	""	""	""	"d[<small>D</small>-3-Pal<sup>2</sup>]AVP|Schwartz compound"	""	""	""	""	""	""
"2185"	"d[<small>D</small>-Phe<sup>2</sup>]AVP"	""	"Peptide"	""	""	""	""	"135652129"	"0"	""	""	""	""	""	""	""	""	""	"[deamino-Cys<sup>1</sup>,<small>D</small>-Phe<sup>2</sup>]AVP"	""	""	""	""	""	""
"3873"	"DSTBULET"	""	"Peptide"	""	""	""	""	"178100709"	"130662"	""	""	"CHEMBL298972"	""	""	""	""	"(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoic acid"	""	""	"CC(C[C@@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)COC(C)(C)C)C"	"DOMQMNWQZKXZCU-GUVNKXFDSA-N"	"InChI=1S/C37H54N6O10/c1-21(2)16-27(35(50)43-31(22(3)44)36(51)52)41-34(49)28(18-23-10-8-7-9-11-23)40-30(46)19-39-33(48)29(20-53-37(4,5)6)42-32(47)26(38)17-24-12-14-25(45)15-13-24/h7-15,21-22,26-29,31,44-45H,16-20,38H2,1-6H3,(H,39,48)(H,40,46)(H,41,49)(H,42,47)(H,43,50)(H,51,52)/t22-,26+,27+,28+,29-,31+/m1/s1"	""	""	""
"11722"	"DT2216"	""	"Synthetic organic"	""	""	""	""	"458923757"	"139331475"	""	""	""	""	""	""	""	"(2S,4R)-1-[(2S)-2-[[7-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide"	""	"DT-2216"	"Cc1c(scn1)c1ccc(cc1)[C@H](C)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCC(=O)N1CCN(CC1)CC[C@H](CSc1ccccc1)Nc1c(cc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)CC1=C(CCC(C1)(C)C)c1ccc(cc1)Cl)S(=O)(=O)C(F)(F)F)O"	"PXVFFBGSTYQHRO-REQIQPEASA-N"	"InChI=1S/C77H96ClF3N10O10S4/c1-51(53-18-20-55(21-19-53)70-52(2)82-50-103-70)83-73(96)66-44-61(92)48-91(66)74(97)71(75(3,4)5)85-68(93)16-12-9-13-17-69(94)90-42-36-87(37-43-90)35-33-59(49-102-62-14-10-8-11-15-62)84-65-31-30-63(45-67(65)104(98,99)77(79,80)81)105(100,101)86-72(95)56-24-28-60(29-25-56)89-40-38-88(39-41-89)47-57-46-76(6,7)34-32-64(57)54-22-26-58(78)27-23-54/h8,10-11,14-15,18-31,45,50-51,59,61,66,71,84,92H,9,12-13,16-17,32-44,46-49H2,1-7H3,(H,83,96)(H,85,93)(H,86,95)/t51-,59+,61+,66-,71+/m0/s1"	""	""	""
"10533"	"dTAG-13"	""	"Synthetic organic"	""	""	""	""	"387065615"	"124187630"	""	""	""	""	""	""	""	"[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate"	""	""	"CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@@H](c1ccccc1OCC(=O)NCCCCCCOc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)CCc1ccc(c(c1)OC)OC)c1cc(OC)c(c(c1)OC)OC"	"BJFBRLAWLPZOMJ-QHVFGHLPSA-N"	"InChI=1S/C57H68N4O15/c1-7-37(36-32-47(71-4)52(73-6)48(33-36)72-5)54(65)60-29-14-12-19-41(60)57(68)76-43(25-22-35-23-26-44(69-2)46(31-35)70-3)38-17-10-11-20-42(38)75-34-50(63)58-28-13-8-9-15-30-74-45-21-16-18-39-51(45)56(67)61(55(39)66)40-24-27-49(62)59-53(40)64/h10-11,16-18,20-21,23,26,31-33,37,40-41,43H,7-9,12-15,19,22,24-25,27-30,34H2,1-6H3,(H,58,63)(H,59,62,64)/t37-,40?,41-,43+/m0/s1"	""	""	""
"6133"	"(D-Thr<sup>6</sup>, D-Trp<sup>8,9</sup>)galanin(1-15)ol"	""	"Peptide"	""	""	""	""	"178102754"	"0"	""	""	""	""	""	""	""	""	""	"(D-THR6,D-TRP8,9,L-ALANINOL15)-GALANIN (1-15)"	""	""	""	""	""	""
"6183"	"[D-Tpi<sup>6</sup>, Leu<sup>13</sup> &psi;(CH<sub>2</sub>NH)-Leu<sup>14</sup>]bombesin-(6-14)"	""	"Peptide"	""	""	""	""	"178102804"	"11948463"	""	""	""	""	""	""	""	"(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methylpentan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(3R)-2,3,4,9-tetrahydro-1H-pyrido[5,4-b]indole-3-carbonyl]amino]pentanediamide"	""	"(D-Tpi<sup>6</sup>, Leu1<sup>3</sup>&psi;(CH<sub>2</sub>-NH)-Leu<sup>14</sup>)bombesin (6-14)|D-Tpi-Gln-Trp-Ala-Val-Gly-His-Leu-Y(CH<sub>2</sub>-NH)-Leu-NH<sub>2</sub> trifluoroacetate salt|RC-3095"	"CC(C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2)CCC(=O)N)C)CN[C@H](C(=O)N)CC(C)C)C"	"IUYCRRDHLJIJBB-QAGBKCHLSA-N"	"InChI=1S/C56H79N15O9/c1-29(2)18-35(25-61-42(50(58)74)19-30(3)4)66-55(79)45(21-34-24-59-28-64-34)68-48(73)27-63-56(80)49(31(5)6)71-51(75)32(7)65-54(78)44(20-33-23-60-39-14-10-8-12-36(33)39)70-52(76)41(16-17-47(57)72)69-53(77)43-22-38-37-13-9-11-15-40(37)67-46(38)26-62-43/h8-15,23-24,28-32,35,41-45,49,60-62,67H,16-22,25-27H2,1-7H3,(H2,57,72)(H2,58,74)(H,59,64)(H,63,80)(H,65,78)(H,66,79)(H,68,73)(H,69,77)(H,70,76)(H,71,75)/t32-,35-,41-,42-,43+,44-,45-,49-/m0/s1"	""	""	""
"10536"	"dTRIM24"	""	"Synthetic organic"	""	""	""	""	"387065618"	"131954388"	""	""	""	""	""	""	""	"(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]sulfamoyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide"	""	""	"CCCOc1cccc(c1)Oc1cc2n(C)c(=O)n(c2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCOCCOCCOCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NCc1ccc(cc1)c1scnc1C)O)C"	"QUQTXFIMYFMULC-OGOZKGDESA-N"	"InChI=1S/C55H68N8O13S2/c1-8-20-75-40-12-10-13-41(28-40)76-47-30-45-44(61(6)54(69)62(45)7)29-43(47)60-78(70,71)42-14-9-11-38(26-42)51(66)56-19-21-72-22-23-73-24-25-74-33-48(65)59-50(55(3,4)5)53(68)63-32-39(64)27-46(63)52(67)57-31-36-15-17-37(18-16-36)49-35(2)58-34-77-49/h9-18,26,28-30,34,39,46,50,60,64H,8,19-25,27,31-33H2,1-7H3,(H,56,66)(H,57,67)(H,59,65)/t39-,46+,50-/m1/s1"	""	""	""
"1584"	"[D-Trp<sup>11</sup>]neurotensin"	""	"Peptide"	""	""	""	""	"135652130"	"0"	""	""	""	""	""	""	""	""	""	"D-Trp<sup>11</sup>-neurotensin"	""	""	""	""	""	""
"1820"	"[D-Trp<sup>12</sup>]PTH-(7-34) (bovine)"	""	"Peptide"	""	""	""	""	"135652131"	"0"	""	""	""	""	""	""	""	""	""	"[D-Trp<sup>12</sup>]-PTH 7-34 (bovine)"	""	""	""	""	""	""
"1819"	"[D-Trp<sup>12</sup>,Tyr<sup>34</sup>]PTH-(7-34) (bovine)"	""	"Peptide"	""	""	""	""	"135652132"	"0"	""	""	""	""	""	""	""	""	""	"[D-Trp<sup>12</sup>,Tyr<sup>34</sup>]-PTH 7-34 (bovine)"	""	""	""	""	""	""
"3866"	"[D-Trp<sup>2</sup>]galanin-(1-29)"	""	"Peptide"	""	""	""	""	"178100704"	"155817464"	""	""	""	""	""	""	""	""	""	"[D-Trp<sup>2</sup>]galanin(1-29)"	"CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O"	"YWWOWEJNZKADMM-INAUZTMPSA-N"	"InChI=1S/C136H205N41O41/c1-64(2)38-83(162-119(201)85(40-66(5)6)163-121(203)87(43-74-31-33-78(183)34-32-74)158-104(188)55-148-112(194)69(11)154-129(211)96(59-178)172-125(207)94(49-102(141)186)167-120(202)86(41-67(7)8)170-134(216)110(71(13)181)175-128(210)89(156-103(187)51-138)44-75-52-147-80-27-19-18-26-79(75)80)114(196)151-58-107(191)177-37-23-30-99(177)132(214)169-90(45-76-53-144-62-152-76)118(200)155-70(12)113(195)174-109(68(9)10)133(215)150-57-106(190)159-93(48-101(140)185)124(206)165-91(46-77-54-145-63-153-77)123(205)161-82(29-22-36-146-136(142)143)117(199)171-97(60-179)130(212)164-88(42-73-24-16-15-17-25-73)122(204)173-98(61-180)131(213)168-95(50-108(192)193)126(208)160-81(28-20-21-35-137)116(198)166-92(47-100(139)184)115(197)149-56-105(189)157-84(39-65(3)4)127(209)176-111(72(14)182)135(217)218/h15-19,24-27,31-34,52-54,62-72,81-99,109-111,147,178-183H,20-23,28-30,35-51,55-61,137-138H2,1-14H3,(H2,139,184)(H2,140,185)(H2,141,186)(H,144,152)(H,145,153)(H,148,194)(H,149,197)(H,150,215)(H,151,196)(H,154,211)(H,155,200)(H,156,187)(H,157,189)(H,158,188)(H,159,190)(H,160,208)(H,161,205)(H,162,201)(H,163,203)(H,164,212)(H,165,206)(H,166,198)(H,167,202)(H,168,213)(H,169,214)(H,170,216)(H,171,199)(H,172,207)(H,173,204)(H,174,195)(H,175,210)(H,176,209)(H,192,193)(H,217,218)(H4,142,143,146)/t69-,70-,71+,72+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,109-,110-,111-/m0/s1"	""	""	""
"1544"	"[D-Trp<sup>32</sup>]NPY"	""	"Peptide"	""	""	""	""	"135652133"	"0"	""	""	""	""	""	""	""	""	""	"[D-Trp<sup>32</sup>] neuropeptide Y|[D-Trp<sup>32</sup>]-NPY"	""	""	""	""	""	""
"1334"	"[D-Trp<sup>8</sup>]&gamma;-MSH"	""	"Peptide"	""	""	""	""	"135652134"	"0"	""	""	""	""	""	""	""	""	""	"D-Trp<sup>8</sup> &gamma;-melanocyte stimulating hormone|D-Trp<sup>8</sup> &gamma;-MSH|D-Trp<sup>8</sup>-y-MSH"	""	""	""	""	""	""
"5798"	"D-tryptophan"	""	"Synthetic organic"	""	""	""	""	"178102423"	"9060"	""	""	"CHEMBL292303"	""	""	""	""	"(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid"	""	""	"OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N"	"QIVBCDIJIAJPQS-SECBINFHSA-N"	"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1"	""	""	""
"10223"	"[d-Tyr-<sup>14</sup>C]TAK-448"	""	"Synthetic organic"	""	""	"yes"	"yes"	"381744905"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3946"	"[D-Tyr<sup>6</sup>,Apa-4Cl<sup>11</sup>,Phe<sup>13</sup>,Nle<sup>14</sup>]bombesin-(6-14)"	""	"Peptide"	""	""	""	""	"178100773"	"0"	""	""	""	""	""	""	""	""	""	"[D-Tyr<sup>6</sup>,Apa-4Cl<sup>11</sup>,Phe<sup>13</sup>,Nle<sup>14</sup>]bombesin<sub>6-14</sub>"	""	""	""	""	""	""
"11434"	"[D-Tyr<sup>6</sup>,&beta;-Ala<sup>11</sup>,N-Me-Ala<sup>13</sup>,Nle<sup>14</sup>]bombesin-(6-14)"	""	"Peptide"	""	""	""	""	"440816803"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"633"	"[D-Tyr<sup>6</sup>,(R)-APA<sup>11</sup>,Phe<sup>13</sup>,Nle<sup>14</sup>]bombesin-(6-14)"	""	"Peptide"	""	""	""	""	"135652125"	"0"	""	""	""	""	""	""	""	""	""	"[D-Phe<sup>6</sup>,(R)-APA<sup>11</sup>,Phe<sup>13</sup>,Nle<sup>14</sup>]bombesin(6-14)"	""	""	""	""	""	""
"2028"	"[D-Tyr<sup>8</sup>]CYN 154806"	""	"Peptide"	""	""	""	""	"135652136"	"0"	""	""	""	""	""	""	""	""	""	"cyanamid 154806|CYN 154806|D-Tyr<sup>8</sup>-CYN 154806"	""	""	""	""	""	""
"9530"	"DU172"	""	"Synthetic organic"	""	""	""	""	"336446916"	"10839674"	""	""	""	""	""	""	""	"4-[3-(8-cyclohexyl-2,6-dioxo-1-propyl-7H-purin-3-yl)propylcarbamoyl]benzenesulfonyl fluoride"	""	""	"CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(=O)(=O)F)c2c(c1=O)nc([nH]2)C1CCCCC1"	"KAJVJPLKXGLLDA-UHFFFAOYSA-N"	"InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)"	""	""	""
"10072"	"dual BRD4/PLK1 inhibitor 23"	""	"Synthetic organic"	""	""	""	""	"375973259"	"134813908"	""	""	""	""	""	""	""	"(R)-4-((8-Cyclopentyl-5,7-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino)-3-(cyclopentyloxy)-N-(1-methylpiperidin-4-yl)benzamide"	""	"compound 23 [PMID: 30125504]"	"CN1CCC(CC1)NC(=O)c1ccc(c(c1)OC1CCCC1)Nc1ncc2c(n1)N(C1CCCC1)C(C(=O)N2C)C"	"HTPNGOWITIWAHM-UHFFFAOYSA-N"	"InChI=1S/C31H43N7O3/c1-20-30(40)37(3)26-19-32-31(35-28(26)38(20)23-8-4-5-9-23)34-25-13-12-21(18-27(25)41-24-10-6-7-11-24)29(39)33-22-14-16-36(2)17-15-22/h12-13,18-20,22-24H,4-11,14-17H2,1-3H3,(H,33,39)(H,32,34,35)"	""	""	""
"10124"	"dual sEH/FAAH inhibitor 11"	""	"Synthetic organic"	""	""	""	""	"381118834"	"130431484"	""	""	""	""	""	""	""	"N-[4-(trifluoromethoxy)phenyl]-4-[(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methyl]piperidine-1-carboxamide"	""	"compound B-11 [WO2017160861]|example 28 [WO2017160861]"	"O=C(N1CCC(CC1)Cc1cccc(c1)Oc1ccc(cn1)C(F)(F)F)Nc1ccc(cc1)OC(F)(F)F"	"LWLSVNFEVKJDBZ-UHFFFAOYSA-N"	"InChI=1S/C26H23F6N3O3/c27-25(28,29)19-4-9-23(33-16-19)37-22-3-1-2-18(15-22)14-17-10-12-35(13-11-17)24(36)34-20-5-7-21(8-6-20)38-26(30,31)32/h1-9,15-17H,10-14H2,(H,34,36)"	"yes"	""	""
"12905"	"dual VEGFR/PARP inhibitor 14b"	""	"Synthetic organic"	""	""	""	""	"485206026"	"168510442"	""	""	""	""	""	""	""	"2-(5-((4-((2,3-Dimethyl-2H-indazol-6-yl)(methyl)amino)pyrimidin-2-yl)amino)-2-methylphenyl)-1H-benzo[d]imidazole-4-carboxamide"	""	"compound 14b [PMID: 37616488]"	"NC(C1=CC=CC2=C1N=C(C3=C(C)C=CC(NC4=NC=CC(N(C5=CC6=NN(C)C(C)=C6C=C5)C)=N4)=C3)N2)=O"	"DCYHJVFMNYSPNT-UHFFFAOYSA-N"	"InChI=1S/C29H27N9O/c1-16-8-9-18(14-22(16)28-33-23-7-5-6-21(27(30)39)26(23)35-28)32-29-31-13-12-25(34-29)37(3)19-10-11-20-17(2)38(4)36-24(20)15-19/h5-15H,1-4H3,(H2,30,39)(H,33,35)(H,31,32,34)"	""	""	""
"8863"	"dubermatinib"	""	"Synthetic organic"	""	""	""	""	"252827520"	"56839178"	""	""	"CHEMBL2022968"	""	""	""	""	"2-((5-chloro-2-((4-((4-methylpiperazin-1-yl)methyl)phenyl)amino)pyrimidin-4-yl)amino)-N,N-dimethylbenzenesulfonamide"	"dubermatinib"	"compound 13|TP 0903|TP-0903|TP0903"	"CN1CCN(CC1)Cc1ccc(cc1)Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)N(C)C)Cl"	"YUAALFPUEOYPNX-UHFFFAOYSA-N"	"InChI=1S/C24H30ClN7O2S/c1-30(2)35(33,34)22-7-5-4-6-21(22)28-23-20(25)16-26-24(29-23)27-19-10-8-18(9-11-19)17-32-14-12-31(3)13-15-32/h4-11,16H,12-15,17H2,1-3H3,(H2,26,27,28,29)"	"yes"	""	""
"7638"	"dulaglutide"	""	"Peptide"	"yes"	""	""	""	"223365973"	"0"	""	""	""	""	""	""	""	""	"dulaglutide"	"GLP-1Fc|LY2189265|Trulicity&reg;"	""	""	""	""	""	""
"202"	"duloxetine"	""	"Synthetic organic"	"yes"	""	""	""	"135650212"	"60835"	""	""	"CHEMBL1175"	""	""	""	""	"(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine"	"duloxetine"	"Cymbalta&reg;|LY248686"	"CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2"	"ZEUITGRIYCTCEM-KRWDZBQOSA-N"	"InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1"	""	""	""
"7635"	"Duo3"	""	"Synthetic organic"	""	""	""	""	"223365970"	"10101670"	""	""	"CHEMBL32985"	""	""	""	""	"(E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-[3-[4-[(E)-(2,6-dichlorophenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methanimine"	""	"DUO3"	"Clc1cccc(c1CO/N=C/c1cc[n+](cc1)CCC[n+]1ccc(cc1)/C=N/OCc1c(Cl)cccc1Cl)Cl"	"RAHLDBGBLYIYDN-WKCPDWHCSA-N"	"InChI=1S/C29H26Cl4N4O2/c30-26-4-1-5-27(31)24(26)20-38-34-18-22-8-14-36(15-9-22)12-3-13-37-16-10-23(11-17-37)19-35-39-21-25-28(32)6-2-7-29(25)33/h1-2,4-11,14-19H,3,12-13,20-21H2/q+2/b34-18+,35-19+"	""	""	""
"10950"	"Dup-105"	""	"Synthetic organic"	""	""	""	""	"405560391"	"57141"	""	""	"CHEMBL316369"	""	""	""	""	"N-[[(5S)-3-(4-methylsulfinylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide"	""	"DuP 105|DuP105"	"CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(cc1)S(=O)C"	"RYTTWOVTZKVWTO-ZOZMEPSFSA-N"	"InChI=1S/C13H16N2O4S/c1-9(16)14-7-11-8-15(13(17)19-11)10-3-5-12(6-4-10)20(2)18/h3-6,11H,7-8H2,1-2H3,(H,14,16)/t11-,20?/m0/s1"	""	""	"yes"
"8760"	"Dup-714"	""	"Synthetic organic"	""	""	""	""	"252827418"	"122296"	""	""	"CHEMBL290376"	""	""	""	""	"[(1R)-1-[[(2S)-1-[(2R)-2-acetamido-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-(diaminomethylideneamino)butyl]boronic acid"	""	"acetylphenylalanyl-prolyl-boroarginine|Dup 714"	"CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](B(O)O)CCCN=C(N)N)Cc1ccccc1"	"FXFYPTZERULUBS-SQNIBIBYSA-N"	"InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1"	""	""	""
"10960"	"DuP-721"	""	"Synthetic organic"	""	""	""	""	"405560401"	"122686"	""	""	""	""	""	""	""	"N-[[3-(4-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide"	""	"DuP 721"	"CC(=O)NCC1CN(C(=O)O1)c1ccc(cc1)C(=O)C"	"POXUJOYUVLWPQN-UHFFFAOYSA-N"	"InChI=1S/C14H16N2O4/c1-9(17)11-3-5-12(6-4-11)16-8-13(20-14(16)19)7-15-10(2)18/h3-6,13H,7-8H2,1-2H3,(H,15,18)"	""	""	"yes"
"7574"	"dupilumab"	""	"Antibody"	"yes"	""	""	""	"223365910"	"0"	""	""	""	""	""	""	""	""	"dupilumab"	"Dupixent&reg;|REGN668|SAR231893"	""	""	""	"yes"	""	""
"841"	"duramycin"	""	"Peptide"	""	""	""	""	"135652137"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"12693"	"durlobactam"	""	"Synthetic organic"	"yes"	""	""	""	"483123241"	"89851852"	""	""	"CHEMBL4298137"	""	""	""	""	""	"durlobactam"	"ETX-2514|EXT2514|Xacduro&reg; (sulbactam and durlobactam)"	"CC1=C[C@@H]2CN([C@@H]1C(=O)N)C(=O)N2OS(=O)(=O)O"	"BISPBXFUKNXOQY-RITPCOANSA-N"	"InChI=1S/C8H11N3O6S/c1-4-2-5-3-10(6(4)7(9)12)8(13)11(5)17-18(14,15)16/h2,5-6H,3H2,1H3,(H2,9,12)(H,14,15,16)/t5-,6+/m1/s1"	""	""	"yes"
"14613"	"durocitinib"	""	"Synthetic organic"	""	""	""	""	"530846861"	"164902821"	""	""	""	""	""	""	""	"6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]pyridazine-3-carboxamide"	"durocitinib"	"compound 95 [US20240383916]"	"N1=C(NC=2C=C(NC(C3CC3)=O)N=NC2C(=O)NC([2H])([2H])[2H])C=4N(C)[C@](C)([H])C5=NN(C)N=C5C4C=C1"	"ZLYHFSIQANXNOH-XBKOTWQMSA-N"	"InChI=1S/C21H24N10O2/c1-10-15-16(29-31(4)28-15)12-7-8-23-19(18(12)30(10)3)24-13-9-14(25-20(32)11-5-6-11)26-27-17(13)21(33)22-2/h7-11H,5-6H2,1-4H3,(H,22,33)(H2,23,24,25,26,32)/t10-/m0/s1/i2D3"	"yes"	""	""
"7985"	"durvalumab"	""	"Antibody"	"yes"	""	""	""	"249565666"	"0"	""	""	""	""	""	""	""	""	"durvalumab"	"anti-B7H1 monoclonal antibody|Imfinzi&reg;|MEDI-4736|MEDI4736"	""	""	""	"yes"	""	""
"7749"	"dusigitumab"	""	"Antibody"	""	""	""	""	"223366082"	"0"	""	""	""	""	""	""	""	""	"dusigitumab"	"MEDI-573"	""	""	""	""	""	""
"14001"	"dusquetide"	""	"Peptide"	""	""	""	""	"518520628"	"122177130"	""	""	""	""	""	""	""	""	"dusquetide"	"IMX942|SGX942"	"CC[C@H](C)C(C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)N"	"ZUJBBVJXXYRPFS-OUROWQTJSA-N"	"InChI=1S/C25H47N9O5/c1-6-14(4)19(33-21(36)16(26)9-7-11-30-25(28)29)23(38)32-18(13(2)3)24(39)34-12-8-10-17(34)22(37)31-15(5)20(27)35/h13-19H,6-12,26H2,1-5H3,(H2,27,35)(H,31,37)(H,32,38)(H,33,36)(H4,28,29,30)/t14-,15-,16-,17-,18-,19?/m0/s1"	""	""	"yes"
"7457"	"dutasteride"	""	"Synthetic organic"	"yes"	""	""	""	"187051760"	"6918296"	""	""	"CHEMBL1200969"	""	""	""	""	"(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide"	"dutasteride"	"Avodart&reg;|GG-745|GI-198745"	"O=C1C=C[C@]2([C@H](N1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F)C)C"	"JWJOTENAMICLJG-QWBYCMEYSA-N"	"InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1"	""	""	""
"14420"	"duvakitug"	""	"Antibody"	""	""	""	""	"523352212"	"0"	""	""	""	""	""	""	""	""	"duvakitug"	"TEV-48574|TEV48574"	""	""	""	"yes"	""	""
"7795"	"duvelisib"	""	"Synthetic organic"	"yes"	""	""	""	"223366126"	"50905713"	""	""	"CHEMBL3039502"	""	""	""	""	"(S)-3-(1-((9H-purin-6-yl)amino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one"	"duvelisib"	"compound 4904 [Patent US8193182]|Copiktra&reg;|INK-1197|IPI-145"	"Clc1cccc2c1c(=O)n(c(c2)[C@@H](Nc1ncnc2c1[nH]cn2)C)c1ccccc1"	"SJVQHLPISAIATJ-ZDUSSCGKSA-N"	"InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1"	"yes"	""	""
"3869"	"d[Val<sup>4</sup>,DArg<sup>8</sup>]VP"	""	"Peptide"	""	""	""	""	"178100706"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5811"	"[D-Val<sup>5</sup>]NPS"	""	"Peptide"	""	""	""	""	"178102436"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2183"	"dVDAVP"	""	"Peptide"	""	""	""	""	"135652138"	"6441676"	""	""	""	""	""	""	""	""	""	"1-deamino-4-val-8-arg-vasopressin|[deamino-Cys<sup>1</sup>,Val<sup>4</sup>,<small>D</small>-Arg<sup>8</sup>]AVP|d[Val<sup>4</sup>]AVP"	""	""	""	""	""	""
"2527"	"DW13.3"	""	"Peptide"	""	""	""	""	"135652139"	"0"	"P60979"	""	""	""	""	""	""	""	""	"&omega;-filistatoxin-Kh1a|&omega;-FLTX-Kh1a|DW13.3 toxin"	""	""	""	""	""	""
"13440"	"dWIZ-1"	""	"Synthetic organic"	""	""	""	""	"500839850"	"156500586"	""	""	""	""	""	""	""	"3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione"	""	"compound C [PMID: 38963839]"	"CCN1CCCC[C@@H]1[C@@H](C)OC2=CC3=C(C=C2)C(=O)N(C3)C4CCC(=O)NC4=O"	"FVZCFUKXGUUDBQ-QSFPRURJSA-N"	"InChI=1S/C22H29N3O4/c1-3-24-11-5-4-6-18(24)14(2)29-16-7-8-17-15(12-16)13-25(22(17)28)19-9-10-20(26)23-21(19)27/h7-8,12,14,18-19H,3-6,9-11,13H2,1-2H3,(H,23,26,27)/t14-,18-,19?/m1/s1"	""	""	""
"9959"	"DX-2507"	""	"Antibody"	""	""	""	""	"374883846"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"11602"	"DX600"	""	"Peptide"	""	""	""	""	"442878636"	"16138722"	""	""	""	""	""	""	""	""	""	"DX-600"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N)CCC(=O)O)CC(=O)O)Cc1ccc(cc1)O)[C@H](O)C)CS)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C)CC(=O)O)Cc1ccc(cc1)O)CO)Cc1[nH]cnc1)CS)CO)CC(C)C)CCCNC(=N)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O"	"KIYFMMDRMKTMJU-JMSLXWMVSA-N"	"InChI=1S/C141H187N35O40S2/c1-72(2)50-93(163-133(209)109-24-15-49-176(109)140(216)104(68-178)169-130(206)105(69-217)171-127(203)98(57-81-62-146-71-154-81)162-129(205)103(67-177)168-124(200)95(52-76-28-36-83(182)37-29-76)160-128(204)99(58-116(191)192)155-114(188)66-148-74(4)180)122(198)157-91(21-11-45-147-141(144)145)120(196)159-94(51-75-26-34-82(181)35-27-75)123(199)165-100(53-77-30-38-84(183)39-31-77)137(213)173-46-13-23-108(173)134(210)164-97(56-80-61-150-89-19-8-6-17-87(80)89)126(202)161-96(55-79-60-149-88-18-7-5-16-86(79)88)125(201)156-90(20-9-10-44-142)121(197)170-106(70-218)131(207)172-118(73(3)179)136(212)167-101(54-78-32-40-85(184)41-33-78)138(214)174-47-14-25-110(174)135(211)166-102(59-117(193)194)139(215)175-48-12-22-107(175)132(208)158-92(42-43-115(189)190)119(195)153-65-113(187)152-64-112(186)151-63-111(143)185/h5-8,16-19,26-41,60-62,71-73,90-110,118,149-150,177-179,181-184,217-218H,9-15,20-25,42-59,63-70,142H2,1-4H3,(H2,143,185)(H,146,154)(H,148,180)(H,151,186)(H,152,187)(H,153,195)(H,155,188)(H,156,201)(H,157,198)(H,158,208)(H,159,196)(H,160,204)(H,161,202)(H,162,205)(H,163,209)(H,164,210)(H,165,199)(H,166,211)(H,167,212)(H,168,200)(H,169,206)(H,170,197)(H,171,203)(H,172,207)(H,189,190)(H,191,192)(H,193,194)(H4,144,145,147)/t73-,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,118+/m1/s1"	""	""	""
"11039"	"DX-619"	""	"Synthetic organic"	""	""	""	""	"405560480"	"9865774"	""	""	"CHEMBL390983"	""	""	""	""	"7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid"	""	"compound 4 [PMID: 19736016]|DX619"	"COc1c(ccc2c1n(cc(c2=O)C(=O)O)[C@@H]1C[C@@H]1F)N1CC[C@H](C1)C1(N)CC1"	"ZLICIITZJTYKAQ-DIOULYMOSA-N"	"InChI=1S/C21H24FN3O4/c1-29-19-15(24-7-4-11(9-24)21(23)5-6-21)3-2-12-17(19)25(16-8-14(16)22)10-13(18(12)26)20(27)28/h2-3,10-11,14,16H,4-9,23H2,1H3,(H,27,28)/t11-,14+,16-/m1/s1"	""	""	"yes"
"11365"	"DX-9065a"	""	"Synthetic organic"	""	""	""	""	"440816734"	"122129"	""	""	"CHEMBL19902"	""	""	""	""	"(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid"	""	"DX9065A"	"CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@@H](C(=O)O)Cc1ccc2c(c1)cc(cc2)C(=N)N"	"AGRCGQSFFMCBRE-ZEQRLZLVSA-N"	"InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1"	""	""	""
"4724"	"D-xylose"	""	"Metabolite"	""	""	""	""	"178101435"	"644160"	""	""	""	""	""	""	""	"(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal"	""	""	"OC[C@H]([C@@H]([C@H](C=O)O)O)O"	"PYMYPHUHKUWMLA-VPENINKCSA-N"	"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1"	""	""	""
"2834"	"DY131"	""	"Synthetic organic"	""	""	""	""	"135650213"	"5497124"	""	""	"CHEMBL192509"	""	""	""	""	"N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide"	""	"DY-131|GSK9089"	"CCN(c1ccc(cc1)/C=N/NC(=O)c1ccc(cc1)O)CC"	"WLKOCYWYAWBGKY-CPNJWEJPSA-N"	"InChI=1S/C18H21N3O2/c1-3-21(4-2)16-9-5-14(6-10-16)13-19-20-18(23)15-7-11-17(22)12-8-15/h5-13,22H,3-4H2,1-2H3,(H,20,23)/b19-13+"	""	""	""
"14078"	"DY268"	""	"Synthetic organic"	""	""	""	""	"518520705"	"90656831"	""	""	"CHEMBL3264644"	""	""	""	""	"1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide"	""	"compound 4j [PMID: 24775917]|DY-268"	"COC=1C=C(CN2N=C(C(=C2)C(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4)C5=CC=C(C=C5)C)C=CC1"	"KQSPAAPFKIEUGH-UHFFFAOYSA-N"	"InChI=1S/C30H32N4O5S/c1-21-7-10-24(11-8-21)29-27(20-33(32-29)19-23-5-4-6-26(17-23)38-3)30(35)31-25-12-9-22(2)28(18-25)40(36,37)34-13-15-39-16-14-34/h4-12,17-18,20H,13-16,19H2,1-3H3,(H,31,35)"	""	""	""
"7173"	"dyclonine"	""	"Synthetic organic"	"yes"	""	""	""	"178103748"	"3180"	""	""	"CHEMBL1201217"	""	""	""	""	"1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one"	"dyclonine"	"dyclocaine"	"CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1"	"BZEWSEKUUPWQDQ-UHFFFAOYSA-N"	"InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3"	""	""	""
"2878"	"dydrogesterone"	""	"Synthetic organic"	"yes"	""	""	""	"135650214"	"9051"	""	""	"CHEMBL1200853"	""	""	""	""	"(8S,9R,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one"	"dydrogesterone"	"Duphaston&reg;"	"O=C1CC[C@@]2(C(=C1)C=C[C@@H]1[C@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C"	"JGMOKGBVKVMRFX-HQZYFCCVSA-N"	"InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1"	""	""	""
"1618"	"dynorphin-(1-11)"	""	"Peptide"	""	""	""	""	"135652140"	"3086114"	""	""	""	""	""	""	""	""	""	"dynorphin 1-11|dynorphin A (1-11)"	"CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O"	"WZHQALIQGVYQGG-QFIUEGLPSA-N"	"InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1"	""	""	""
"1661"	"dynorphin-(1-17)-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"135652141"	"0"	""	""	""	""	""	""	""	""	""	"dynorphin 1-17-NH<sub>2</sub>"	""	""	""	""	""	""
"1620"	"dynorphin A"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651739"	"16133805"	"O35417|P06300|P01213"	"ENSG00000101327"	""	""	""	""	""	""	""	"dynA|dynorphin 1-17|dynorphin A (1-17)"	"CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O"	"JMNJYGMAUMANNW-FIXZTSJVSA-N"	"InChI=1S/C99H155N31O23/c1-7-55(6)81(129-86(142)66(28-18-40-112-98(107)108)118-83(139)65(27-17-39-111-97(105)106)120-88(144)70(44-54(4)5)125-89(145)71(46-56-21-9-8-10-22-56)117-79(135)52-115-78(134)51-116-82(138)61(102)45-57-31-33-59(131)34-32-57)94(150)122-67(29-19-41-113-99(109)110)95(151)130-42-20-30-75(130)93(149)121-64(26-14-16-38-101)85(141)124-69(43-53(2)3)87(143)119-63(25-13-15-37-100)84(140)126-72(47-58-50-114-62-24-12-11-23-60(58)62)90(146)128-74(49-80(136)137)92(148)127-73(48-77(104)133)91(147)123-68(96(152)153)35-36-76(103)132/h8-12,21-24,31-34,50,53-55,61,63-75,81,114,131H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,132)(H2,104,133)(H,115,134)(H,116,138)(H,117,135)(H,118,139)(H,119,143)(H,120,144)(H,121,149)(H,122,150)(H,123,147)(H,124,141)(H,125,145)(H,126,140)(H,127,148)(H,128,146)(H,129,142)(H,136,137)(H,152,153)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1"	""	""	""
"1619"	"dynorphin A-(1-13)"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651738"	"25077992"	"P06300|O35417|P01213"	"ENSG00000101327"	"CHEMBL265813"	""	""	""	""	""	""	"dynorphin 1-13|dynorphin A (1-13)"	"CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O"	"OVVIBUHLQIYUEU-IWIISZHXSA-N"	"InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1"	""	""	""
"1621"	"dynorphin A-(1-8)"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651740"	"108135"	"O35417|P01213|P06300"	"ENSG00000101327"	""	""	""	""	""	""	""	"dynorphin A (1-8)"	"CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O"	"WRPLGMBDXVBPEG-VGXZEHLRSA-N"	"InChI=1S/C46H72N14O10/c1-5-27(4)38(44(69)70)60-41(66)33(14-10-20-53-46(50)51)57-40(65)32(13-9-19-52-45(48)49)58-42(67)34(21-26(2)3)59-43(68)35(23-28-11-7-6-8-12-28)56-37(63)25-54-36(62)24-55-39(64)31(47)22-29-15-17-30(61)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,61H,5,9-10,13-14,19-25,47H2,1-4H3,(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,69,70)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32-,33-,34-,35-,38-/m0/s1"	""	""	""
"1622"	"dynorphin B"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651741"	"25075991"	"P06300|O35417|P01213"	"ENSG00000101327"	"CHEMBL500830"	""	""	""	""	"(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid"	""	"rimorphin"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)C(C)C)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)Cc1ccccc1"	"AGTSSZRZBSNTGQ-ITZCFHCWSA-N"	"InChI=1S/C74H115N21O17/c1-40(2)34-53(91-68(107)54(36-44-18-10-8-11-19-44)86-58(100)39-84-57(99)38-85-62(101)48(76)35-46-25-27-47(97)28-26-46)67(106)89-51(24-17-33-83-74(80)81)63(102)87-50(23-16-32-82-73(78)79)64(103)90-52(29-30-56(77)98)65(104)92-55(37-45-20-12-9-13-21-45)69(108)88-49(22-14-15-31-75)66(105)93-59(41(3)4)70(109)94-60(42(5)6)71(110)95-61(43(7)96)72(111)112/h8-13,18-21,25-28,40-43,48-55,59-61,96-97H,14-17,22-24,29-39,75-76H2,1-7H3,(H2,77,98)(H,84,99)(H,85,101)(H,86,100)(H,87,102)(H,88,108)(H,89,106)(H,90,103)(H,91,107)(H,92,104)(H,93,105)(H,94,109)(H,95,110)(H,111,112)(H4,78,79,82)(H4,80,81,83)/t43-,48+,49+,50+,51+,52+,53+,54+,55+,59+,60+,61+/m1/s1"	""	""	""
"7070"	"dyphylline"	""	"Metabolite"	"yes"	""	""	""	"178103649"	"3182"	""	""	"CHEMBL1752"	""	""	""	""	"7-(2,3-dihydroxypropyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione"	"diprophylline"	"Dilor&reg;"	"OCC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)O"	"KSCFJBIXMNOVSH-UHFFFAOYSA-N"	"InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3"	"yes"	""	""
"4185"	"dysiherbaine"	""	"Natural product"	""	""	""	""	"178101004"	"9839436"	""	""	"CHEMBL221142"	""	""	""	""	"(2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)-hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid"	""	""	"CN[C@@H]1[C@H](O)CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O"	"YUSZFKPLFIQTGF-FDNSHYBFSA-N"	"InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1"	""	""	""
"4015"	"[dY]<sup>1</sup>KP-10"	""	"Peptide"	""	""	""	""	"178100841"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8392"	"DZNep"	""	"Synthetic organic"	""	""	""	""	"252166603"	"73087"	""	""	"CHEMBL154745"	""	""	""	""	"3-{4-amino-1H-imidazo[4,5-c]pyridin-1-yl}-5-(hydroxymethyl)cyclopentane-1,2-diol"	""	"3-deazaneplanocin A"	"OCC1CC([C@@H]([C@@H]1O)O)n1cnc2c1ccnc2N"	"XNJHAZWZQGXOSC-FDNQDJDWSA-N"	"InChI=1S/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6?,8?,10-,11+/m1/s1"	""	""	""
"14408"	"DZX19"	""	"Synthetic organic"	""	""	""	""	"523352200"	"177924596"	""	""	""	""	""	""	""	"4-{3-[(3,5-Difluorobenzyl)Amino]Phenyl}-2-(3-Methylureido)Thiophene-3-Carboxamide"	""	"C02 [Xu <i>et al</i>., 2026]|DZX-19"	"FC=1C=C(CNC=2C=C(C=CC2)C=3C(=C(SC3)NC(=O)NC)C(=O)N)C=C(C1)F"	"TWSOLXYJMXHVGK-UHFFFAOYSA-N"	"InChI=1S/C20H18F2N4O2S/c1-24-20(28)26-19-17(18(23)27)16(10-29-19)12-3-2-4-15(7-12)25-9-11-5-13(21)8-14(22)6-11/h2-8,10,25H,9H2,1H3,(H2,23,27)(H2,24,26,28)"	""	""	""
"11056"	"E-0702"	""	"Synthetic organic"	""	""	""	""	"405560497"	"5748776"	""	""	""	""	""	""	""	"3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-7-[[2-[(6,7-dihydroxy-4-oxochromene-3-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	""	""	"Oc1ccc(cc1)C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1CC(=O)O)NC(=O)c1coc2c(c1=O)cc(c(c2)O)O"	"IZPIFKHYHHWRMA-UHFFFAOYSA-N"	"InChI=1S/C29H23N7O12S2/c37-13-3-1-11(2-4-13)20(30-24(43)15-8-48-18-6-17(39)16(38)5-14(18)23(15)42)25(44)31-21-26(45)36-22(28(46)47)12(9-49-27(21)36)10-50-29-32-33-34-35(29)7-19(40)41/h1-6,8,20-21,27,37-39H,7,9-10H2,(H,30,43)(H,31,44)(H,40,41)(H,46,47)"	""	""	"yes"
"11050"	"E-1010 free base"	""	"Synthetic organic"	""	""	""	""	"405560491"	"6918312"	""	""	""	""	""	""	""	"(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(3S,5S)-5-[(R)-hydroxy-[(3R)-pyrrolidin-3-yl]methyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	""	"E1010|ER-35786"	"C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)[C@@H]([C@H]1CNCC1)O)O"	"QYOLGBCSUXWEKY-ANTKKXPTSA-N"	"InChI=1S/C19H29N3O5S/c1-8-14-13(9(2)23)18(25)22(14)15(19(26)27)17(8)28-11-5-12(21-7-11)16(24)10-3-4-20-6-10/h8-14,16,20-21,23-24H,3-7H2,1-2H3,(H,26,27)/t8-,9-,10-,11+,12+,13-,14-,16-/m1/s1"	""	""	"yes"
"7358"	"E2012"	""	"Synthetic organic"	""	""	""	""	"178103930"	"11560787"	""	""	"CHEMBL1224151"	""	""	""	""	"(3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one"	""	"E 2012|E-2012"	"COc1cc(ccc1n1cnc(c1)C)/C=C/1\CCCN(C1=O)[C@H](c1ccc(cc1)F)C"	"PUOAETJYKQITMO-LANLRWRYSA-N"	"InChI=1S/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1"	""	""	""
"1648"	"E2078"	""	"Peptide"	""	""	""	""	"135652142"	"122220"	""	""	""	""	""	""	""	"(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2R)-1-ethylamino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-1-oxopentan-2-yl]-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-methylaminopropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide"	""	"E 2078|E-2078|N-Me-tyr(1)-N-Me-arg(7)-N-Et-leunh2(8)-dynorphin (1-8)|N-methyl-Tyr<sup>1</sup>,N-methyl-Arg<sup>7</sup>,D-leu<sup>8</sup>-dynorphin-A(1-8)"	"CCNC(=O)[C@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)NC)CC(C)C)CCCN=C(N)N)C)CCCN=C(N)N)CC(C)C"	"JENWDDCMEATQSR-ONSKYXJOSA-N"	"InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37+,38-,39-,40-/m0/s1"	""	""	""
"10465"	"E209"	""	"Synthetic organic"	""	""	""	""	"385612225"	"132542931"	""	""	"CHEMBL4288940"	""	""	""	""	"1-[2-(4-{dispiro[adamantane-2,2'-[1,3,4,6]tetraoxane-5',1''-cyclohexan]-4''-yl}phenoxy)ethyl]-4-fluoropiperidine"	""	""	"FC1CCN(CC1)CCOc1ccc(cc1)C1CCC2(CC1)OOC1(OO2)C2CC3CC1CC(C2)C3"	"RDWGXWFRQYUDIZ-UHFFFAOYSA-N"	"InChI=1S/C29H40FNO5/c30-26-7-11-31(12-8-26)13-14-32-27-3-1-22(2-4-27)23-5-9-28(10-6-23)33-35-29(36-34-28)24-16-20-15-21(18-24)19-25(29)17-20/h1-4,20-21,23-26H,5-19H2"	""	"yes"	""
"14485"	"E2730"	""	"Synthetic organic"	""	""	""	""	"528429806"	"72694819"	""	""	""	""	""	""	""	"(1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene"	""	"E-2730"	"C1C2=C([C@@H](C1(F)F)NS(=O)(=O)N)C(=CC(=C2)F)F"	"ZDUAYVUFBARRPR-QMMMGPOBSA-N"	"InChI=1S/C9H8F4N2O2S/c10-5-1-4-3-9(12,13)8(15-18(14,16)17)7(4)6(11)2-5/h1-2,8,15H,3H2,(H2,14,16,17)/t8-/m0/s1"	""	""	""
"6187"	"E339-3D6"	""	"Synthetic organic"	""	""	""	""	"178102808"	"73755182"	""	""	""	""	""	""	""	"4-{[(1-{[2-(1-benzyl-3-methyl-1H-imidazol-3-ium-4-yl)-1-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]ethyl]carbamoyl}-5-({[12-({4-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthen-9-yl]-3-sulfobenzene}sulfonamido)dodecyl]carbamoyl}amino)pentyl)carbamoyl]methyl}-2-imino-3-methyl-2,3-dihydro-1,3-thiazol-3-ium tritrifluoroacetate"	""	""	"[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CCN(c1ccc2c(c1)oc1c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)NCCCCCCCCCCCCNC(=O)NCCCCC(C(=O)NC(C(=O)NC2CC[NH+](CC2)C)Cc2cn(c[n+]2C)Cc2ccccc2)NC(=O)CC2=CSC(=N)[NH+]2C)ccc(=[N+](CC)CC)c1)CC"	"SEZVZMIKECAWEG-UHFFFAOYSA-O"	"InChI=1S/C72H101N13O10S3.3C2HF3O2/c1-8-84(9-2)54-30-33-59-64(44-54)95-65-45-55(85(10-3)11-4)31-34-60(65)68(59)61-35-32-58(47-66(61)98(92,93)94)97(90,91)76-40-25-19-17-15-13-12-14-16-18-24-38-74-72(89)75-39-26-23-29-62(78-67(86)46-57-50-96-71(73)82(57)7)69(87)79-63(70(88)77-53-36-41-80(5)42-37-53)43-56-49-83(51-81(56)6)48-52-27-21-20-22-28-52;3*3-2(4,5)1(6)7/h20-22,27-28,30-35,44-45,47,49-51,53,62-63,73,76H,8-19,23-26,29,36-43,46,48H2,1-7H3,(H4-2,74,75,77,78,79,86,87,88,89,92,93,94);3*(H,6,7)/p+1"	""	""	""
"2605"	"E4031"	""	"Synthetic organic"	""	""	""	""	"135650215"	"3185"	""	""	"CHEMBL327980"	""	""	""	""	"N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide"	""	"E 4031|E-4031"	"Cc1cccc(n1)CCN1CCC(CC1)C(=O)c1ccc(cc1)NS(=O)(=O)C"	"SRUISGSHWFJION-UHFFFAOYSA-N"	"InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3"	""	""	""
"10431"	"E-52862"	""	"Synthetic organic"	""	""	""	""	"385612191"	"44247568"	""	""	"CHEMBL2170062"	""	""	""	""	"4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine"	""	"compound 28 [PMID: 22784008]|E52862|MR309|sigma 1 receptor antagonist (S1RA)"	"Cc1cc(nn1c1ccc2c(c1)cccc2)OCCN1CCOCC1"	"DGPGXHRHNRYVDH-UHFFFAOYSA-N"	"InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3"	"yes"	""	""
"3929"	"E55888"	""	"Synthetic organic"	""	""	""	""	"178100758"	"24825775"	""	""	""	""	""	""	""	"N,N-dimethyl-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)phenethylamine"	""	"E 55888|E-55888"	"CN(CCc1cccc(c1)c1c(C)nn(c1C)C)C"	"MFUWRMRKXKCSPL-UHFFFAOYSA-N"	"InChI=1S/C16H23N3/c1-12-16(13(2)19(5)17-12)15-8-6-7-14(11-15)9-10-18(3)4/h6-8,11H,9-10H2,1-5H3"	""	""	""
"3104"	"E5700"	""	"Synthetic organic"	""	""	""	""	"135650216"	"56947067"	""	""	""	""	""	""	""	"(3S)-3-(2-{2-benzyl-6-[(3S,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol"	""	"E 5700|E-5700"	"CO[C@@H]1CN(C[C@@H]1O)c1ccc(c(n1)Cc1ccccc1)C#C[C@]1(O)CN2CCC1CC2"	"NDEOTZXSBKCQLS-GSLIJJQTSA-N"	"InChI=1S/C26H31N3O3/c1-32-24-17-29(16-23(24)30)25-8-7-20(22(27-25)15-19-5-3-2-4-6-19)9-12-26(31)18-28-13-10-21(26)11-14-28/h2-8,21,23-24,30-31H,10-11,13-18H2,1H3/t23-,24+,26-/m0/s1"	""	""	""
"7836"	"E6201"	""	"Synthetic organic"	""	""	""	""	"223366167"	"10172827"	""	""	"CHEMBL1097999"	""	""	""	""	"(4S,5R,6Z,9S,10S,12E)-16-ethylamino-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione"	""	"E 6201|E-6201"	"CCNc1cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]([C@@H](OC(=O)c2c(c1)O)C)C"	"MWUFVYLAWAXDHQ-HMNLTAHHSA-N"	"InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1"	"yes"	""	""
"3217"	"E6801"	""	"Synthetic organic"	""	""	""	""	"178100278"	"10202564"	""	""	"CHEMBL362628"	""	""	""	""	"6-chloro-N-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]imidazo[2,3-b][1,3]thiazole-5-sulfonamide"	""	"E 6801|E-6801"	"CN(CCc1c[nH]c2c1cc(cc2)NS(=O)(=O)c1c(Cl)nc2n1ccs2)C"	"RZAXUKVIIWUIOM-UHFFFAOYSA-N"	"InChI=1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3"	""	""	""
"3915"	"E7"	""	"Peptide"	""	""	""	""	"178100747"	"91933514"	""	""	""	""	""	""	""	""	""	"(Trp<sup>63</sup>-Trp<sup>64</sup>)-C3a-(63-77)|C3a receptor superagonist|EP141"	"CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O"	"WZZZEVMVZFWLNO-QYEYXIDWSA-N"	"InChI=1S/C86H134N26O18/c1-47(2)37-65(75(120)99-45-71(116)104-66(38-48(3)4)81(126)102-49(5)72(117)108-64(84(129)130)27-18-36-96-86(93)94)110-79(124)62(25-13-16-34-89)107-83(128)69(46-113)112-73(118)50(6)101-77(122)63(26-17-35-95-85(91)92)106-82(127)67(39-51-28-30-54(114)31-29-51)111-80(125)61(24-12-15-33-88)105-78(123)60(23-11-14-32-87)103-70(115)44-100-76(121)68(41-53-43-98-59-22-10-8-20-56(53)59)109-74(119)57(90)40-52-42-97-58-21-9-7-19-55(52)58/h7-10,19-22,28-31,42-43,47-50,57,60-69,97-98,113-114H,11-18,23-27,32-41,44-46,87-90H2,1-6H3,(H,99,120)(H,100,121)(H,101,122)(H,102,126)(H,103,115)(H,104,116)(H,105,123)(H,106,127)(H,107,128)(H,108,117)(H,109,119)(H,110,124)(H,111,125)(H,112,118)(H,129,130)(H4,91,92,95)(H4,93,94,96)/t49-,50-,57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1"	""	""	""
"14234"	"E7820"	""	"Synthetic organic"	""	""	""	""	"521588874"	"196970"	""	""	"CHEMBL4297376"	""	""	""	""	"3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide"	""	"E-7820"	"CC1=C2C(=CNC2=C(C=C1)NS(=O)(=O)C3=CC=CC(=C3)C#N)C#N"	"LWGUASZLXHYWIV-UHFFFAOYSA-N"	"InChI=1S/C17H12N4O2S/c1-11-5-6-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-4-2-3-12(7-14)8-18/h2-7,10,20-21H,1H3"	""	""	""
"3500"	"E913"	""	"Synthetic organic"	""	""	""	""	"178100487"	"491774"	""	""	"CHEMBL1196395"	""	""	""	""	"1-butyl-3-(cyclohexylmethyl)-9-(2,3-dihydro-1,4-benzodioxin-7-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione"	""	"E 913|E-913"	"CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2"	"VBONNDPACFTZMX-UHFFFAOYSA-N"	"InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33)"	""	""	""
"9222"	"EAI045"	""	"Synthetic organic"	""	""	""	""	"315661298"	"121231412"	""	""	""	""	""	""	""	"2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide"	""	""	"Fc1ccc(c(c1)C(N1Cc2c(C1=O)cccc2)C(=O)Nc1nccs1)O"	"YTUFHOKUFOQRDF-UHFFFAOYSA-N"	"InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25)"	""	""	""
"13565"	"eAmSPC 2593"	""	"Synthetic organic"	""	""	""	""	"504705384"	"117986569"	""	""	""	""	""	""	""	"(1R,3S,5R,7R,8S,10R,11S,12S,13R,14S)-7-[[2-(4-fluorophenyl)ethylamino]methyl]-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0<sup>3,8</sup>]tetradecane-7,8,12,14-tetrol"	""	""	"C[C@@H]1C[C@]([C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O)(CNCCC4=CC=C(C=C4)F)O"	"KRCLSDQUEUBIKY-LLHOOWCXSA-N"	"InChI=1S/C23H36FN3O7/c1-12-10-22(30,11-27-9-8-13-4-6-14(24)7-5-13)23(31)21(32-12)33-20-18(29)15(25-2)17(28)16(26-3)19(20)34-23/h4-7,12,15-21,25-31H,8-11H2,1-3H3/t12-,15-,16+,17+,18+,19-,20-,21+,22-,23-/m1/s1"	""	""	"yes"
"14664"	"EB1002"	""	"Peptide"	""	""	""	""	"530846912"	"172638722"	""	""	""	""	""	""	""	""	""	"compound ID 344 [ WO2023118263]|neurokinin A (4-10)-S5K/F6Y/L9mL/M10Mox|SEQ ID NO: 23 [WO2023118263]"	"CC(C)C[C@@H](C(=O)N[C@@H](CCOC)C(=O)N)N(C)C(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O"	"SMIDDQXCMJFZEC-PPTFQZPPSA-N"	"InChI=1S/C73H124N12O23/c1-49(2)43-58(71(100)81-53(67(75)96)32-36-104-6)85(5)63(91)46-78-72(101)66(50(3)4)84-70(99)56(44-51-26-28-52(86)29-27-51)83-68(97)54(23-21-22-33-74)82-69(98)57(45-65(94)95)80-62(90)48-108-42-40-106-38-35-77-61(89)47-107-41-39-105-37-34-76-59(87)31-30-55(73(102)103)79-60(88)24-19-17-15-13-11-9-7-8-10-12-14-16-18-20-25-64(92)93/h26-29,49-50,53-58,66,86H,7-25,30-48,74H2,1-6H3,(H2,75,96)(H,76,87)(H,77,89)(H,78,101)(H,79,88)(H,80,90)(H,81,100)(H,82,98)(H,83,97)(H,84,99)(H,92,93)(H,94,95)(H,102,103)/t53-,54-,55-,56-,57-,58-,66-/m0/s1"	""	""	""
"13903"	"EB-42168"	""	"Synthetic organic"	""	""	""	""	"513757588"	"162462289"	""	""	""	""	""	""	""	"4,5,7,7-tetramethyl-N-[3-(2-morpholin-4-ylpyridin-4-yl)-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide"	""	"EB42168|LRRK2 inhibitor 30 [PMID: 33197196]"	"CN1C2=NN=NN2C(C)(C)C(C(=O)NC3=CC=C4NN=C(C4=C3)C5=CC=NC(=C5)N6CCOCC6)=C1C"	"VTISWVCQZDZSAV-UHFFFAOYSA-N"	"InChI=1S/C25H28N10O2/c1-15-21(25(2,3)35-24(33(15)4)30-31-32-35)23(36)27-17-5-6-19-18(14-17)22(29-28-19)16-7-8-26-20(13-16)34-9-11-37-12-10-34/h5-8,13-14H,9-12H2,1-4H3,(H,27,36)(H,28,29)"	""	""	""
"11566"	"EB-42486"	""	"Synthetic organic"	""	""	""	""	"441604938"	"155925851"	""	""	""	""	""	""	""	""	""	"compound 31 [PMID: 33197196]"	"O=C(C1=C(C)N(C)c2n(C1(C)C)nnn2)Nc1ccc2c(c1)c(n[nH]2)c1ccccc1"	"KHSAHYKLUPESPP-UHFFFAOYSA-N"	"InChI=1S/C22H22N8O/c1-13-18(22(2,3)30-21(29(13)4)26-27-28-30)20(31)23-15-10-11-17-16(12-15)19(25-24-17)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,23,31)(H,24,25)"	""	""	""
"12149"	"ebaresdax"	""	"Synthetic organic"	""	""	""	""	"472319271"	"53362112"	""	""	""	""	""	""	""	"(4R)-2-(2-hydroxyanilino)-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid"	"ebaresdax"	"ACP-044|ACP044|compound 1 [WO2020159643A1]"	"CC1([C@H](N=C(S1)Nc1ccccc1O)C(=O)O)C"	"OASISJWJIHWVKX-SECBINFHSA-N"	"InChI=1S/C12H14N2O3S/c1-12(2)9(10(16)17)14-11(18-12)13-7-5-3-4-6-8(7)15/h3-6,9,15H,1-2H3,(H,13,14)(H,16,17)/t9-/m1/s1"	""	""	""
"13875"	"ebdarokimab"	""	"Antibody"	"yes"	""	""	""	"513757560"	"0"	""	""	""	""	""	""	""	""	"ebdarokimab"	"Aidaro&reg; (China)|AK-101|AK101"	""	""	""	"yes"	""	""
"13282"	"(E)-beta-caryophyllene"	""	"Natural product"	""	""	""	""	"491300064"	"5281515"	""	""	"CHEMBL445740"	""	""	""	""	"(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene"	""	"(-)-(E)-Caryophyllene|(-)-trans-Caryophyllene|(E)-&beta;-caryophyllene (BCP)"	"C/C/1=C\CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C"	"NPNUFJAVOOONJE-GFUGXAQUSA-N"	"InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1"	""	""	""
"9881"	"EBI-2511"	""	"Synthetic organic"	""	""	""	""	"363894175"	"133081962"	""	""	""	""	""	""	""	"N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-[1-(propan-2-yl)piperidin-4-yl]-1-benzofuran-4-carboxamide"	""	"compound 34 [PMID: 29456795]|EBI2511"	"CCN(c1cc2oc(cc2c(c1CC)C(=O)NCc1c(C)cc([nH]c1=O)C)C1CCN(CC1)C(C)C)C1CCOCC1"	"NYWVSLBALKNFJR-UHFFFAOYSA-N"	"InChI=1S/C34H48N4O4/c1-7-26-29(38(8-2)25-11-15-41-16-12-25)19-31-27(18-30(42-31)24-9-13-37(14-10-24)21(3)4)32(26)34(40)35-20-28-22(5)17-23(6)36-33(28)39/h17-19,21,24-25H,7-16,20H2,1-6H3,(H,35,40)(H,36,39)"	""	""	""
"2314"	"EBIO"	""	"Synthetic organic"	""	""	""	""	"135650218"	"82320"	""	""	"CHEMBL452887"	""	""	""	""	"3-ethyl-1H-benzimidazol-2-one"	""	""	"CCn1c(=O)[nH]c2c1cccc2"	"CXUCKELNYMZTRT-UHFFFAOYSA-N"	"InChI=1S/C9H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9(11)12/h3-6H,2H2,1H3,(H,10,12)"	""	""	""
"14229"	"EBL-3599"	""	"Synthetic organic"	""	""	""	""	"521588869"	"175806742"	""	""	""	""	""	""	""	"5-[(3-aminopropylamino)methyl]-N-[4-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide"	""	""	"CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)CNCCCN)N(C)S(=O)(=O)C)C#N"	"JHQIDWIWOVDFPG-UHFFFAOYSA-N"	"InChI=1S/C29H37N9O5S2/c1-21-17-24(19-31)35-29(33-21)37-13-15-38(16-14-37)45(42,43)25-8-6-23(7-9-25)34-28(39)26-18-22(20-32-12-4-11-30)5-10-27(26)36(2)44(3,40)41/h5-10,17-18,32H,4,11-16,20,30H2,1-3H3,(H,34,39)"	""	""	"yes"
"14230"	"EBL-3647"	""	"Synthetic organic"	""	""	""	""	"521588870"	"171121778"	""	""	""	""	""	""	""	"5-[[3-(aminomethyl)azetidin-1-yl]methyl]-N-[4-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide"	""	""	"O=S(N1CCN(CC1)C2=NC(C)=CC(C#N)=N2)(C3=CC=C(NC(C4=C(N(C)S(=O)(C)=O)C=CC(CN5CC(CN)C5)=C4)=O)C=C3)=O"	"YZXAAZBUIFNWLC-UHFFFAOYSA-N"	"InChI=1S/C30H37N9O5S2/c1-21-14-25(17-32)35-30(33-21)38-10-12-39(13-11-38)46(43,44)26-7-5-24(6-8-26)34-29(40)27-15-22(18-37-19-23(16-31)20-37)4-9-28(27)36(2)45(3,41)42/h4-9,14-15,23H,10-13,16,18-20,31H2,1-3H3,(H,34,40)"	""	""	"yes"
"11770"	"eblasakimab"	""	"Antibody"	""	""	""	""	"458923805"	"0"	""	""	""	""	""	""	""	""	"eblasakimab"	"ASLAN-004|ASLAN004|CSL 334|CSL-334"	""	""	""	""	""	""
"13786"	"ebronucimab"	""	"Antibody"	"yes"	""	""	""	"507750419"	"0"	""	""	""	""	""	""	""	""	"ebronucimab"	"AK-102|AK102|inusimab"	""	""	""	""	""	""
"10583"	"ebselen"	""	"Synthetic organic"	""	""	""	""	"404859030"	"3194"	""	""	"CHEMBL51085"	""	""	""	""	"2-phenyl-1,2-benzoselenazol-3-one"	"ebselen"	"DR 3305|PZ51|SPI-1005"	"O=c1c2ccccc2[se]n1c1ccccc1"	"DYEFUKCXAQOFHX-UHFFFAOYSA-N"	"InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H"	""	""	"yes"
"6262"	"EC18"	""	"Synthetic organic"	""	""	""	""	"178102882"	"50902958"	""	""	""	""	""	""	""	"3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]cyclohexyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one"	""	""	"COc1ccc(cc1OC)CCN(C1CCCC(C1)N1CCc2c(CC1=O)cc(c(c2)OC)OC)C"	"IUAVZEYOWYFRAS-UHFFFAOYSA-N"	"InChI=1S/C29H40N2O5/c1-30(13-11-20-9-10-25(33-2)26(15-20)34-3)23-7-6-8-24(19-23)31-14-12-21-16-27(35-4)28(36-5)17-22(21)18-29(31)32/h9-10,15-17,23-24H,6-8,11-14,18-19H2,1-5H3"	""	""	""
"12750"	"EC5026"	""	"Synthetic organic"	""	""	""	""	"483123298"	"91933845"	""	""	"CHEMBL4752759"	""	""	""	""	"1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea"	""	"BPN-19186|BPN19186|EC-5026"	"O=C(NC1=CC(F)=C(C=C1)OC(F)(F)F)NC2CCN(C([C@H](CC)C)=O)CC2"	"LHRXHTKENPCGSZ-NSHDSACASA-N"	"InChI=1S/C18H23F4N3O3/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-15(14(19)10-13)28-18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1"	""	""	""
"2044"	"EC 5-21"	""	"Peptide"	""	""	""	""	"135652143"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6955"	"ecallantide"	""	"Peptide"	"yes"	""	""	""	"178103537"	"44152182"	""	""	"CHEMBL1201837"	""	""	""	""	""	"ecallantide"	"DX-88|FOV2302|Kalbitor&reg;"	"CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N4CCC[C@H]4C(=O)N3)CC(=O)O)CC(=O)O)C)CCCCN)Cc3ccccc3)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)N)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)CCSC)CCCCN)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC2=O)CCC(=O)O)CC(=O)N)CCC(=O)N)CC(=O)N)CCCNC(=N)N)Cc2ccccc2)CCC(=O)O)CO)CC(C)C)CCC(=O)O)CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc1ccccc1)CCC(=O)O)CCC(=O)O)CCC(=O)N)CCCNC(=N)N)[C@H](C)O)Cc1ccccc1)[C@@H](C)CC)CC(=O)N)Cc1ccccc1)Cc1ccccc1)Cc1c[nH]c2ccccc12)CCCNC(=N)N)Cc1cnc[nH]1)C)C)CCCNC(=N)N)Cc1ccc(cc1)O"	"VBGWSQKGUZHFPS-VGMMZINCSA-N"	""	"yes"	""	""
"10802"	"ecenofloxacin"	""	"Synthetic organic"	""	""	""	""	"405560243"	"178066"	""	""	"CHEMBL2107637"	""	""	""	""	"7-[(1R,5S,6S)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid"	"ecenofloxacin"	"CFC-222|CFC222"	"N[C@H]1C[C@@]2([C@H]1CN(C2)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O)C"	"WNVIWAUAXKEKKF-PJFSTRORSA-N"	"InChI=1S/C19H21FN4O3/c1-19-5-14(21)12(19)7-23(8-19)17-13(20)4-10-15(25)11(18(26)27)6-24(9-2-3-9)16(10)22-17/h4,6,9,12,14H,2-3,5,7-8,21H2,1H3,(H,26,27)/t12-,14-,19-/m0/s1"	""	""	"yes"
"9571"	"eCF309"	""	"Synthetic organic"	""	""	""	""	"336446957"	"122163152"	""	""	""	""	""	""	""	"5-[4-amino-1-(2,2-diethoxyethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine"	""	"compound 12 [Fraser <i>et al</i>., 2016]|eCF-309"	"CCOC(Cn1nc(c2c1ncnc2N)c1ccc2c(c1)nc(o2)N)OCC"	"PSICWGWNIOOULV-UHFFFAOYSA-N"	"InChI=1S/C18H21N7O3/c1-3-26-13(27-4-2)8-25-17-14(16(19)21-9-22-17)15(24-25)10-5-6-12-11(7-10)23-18(20)28-12/h5-7,9,13H,3-4,8H2,1-2H3,(H2,20,23)(H2,19,21,22)"	""	""	""
"9186"	"eCF506"	""	"Synthetic organic"	""	""	""	""	"315661265"	"121231408"	""	""	""	""	""	""	""	"tert-butyl N-[4-(4-amino-1-{2-[4-(dimethylamino)piperidin-1-yl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]carbamate"	""	"derivative 11a [PMID: 27115835]|NXP-900|NXP900"	"COc1cc(ccc1NC(=O)OC(C)(C)C)c1nn(c2c1c(N)ncn2)CCN1CCC(CC1)N(C)C"	"GMPQGWXPDRNCBL-UHFFFAOYSA-N"	"InChI=1S/C26H38N8O3/c1-26(2,3)37-25(35)30-19-8-7-17(15-20(19)36-6)22-21-23(27)28-16-29-24(21)34(31-22)14-13-33-11-9-18(10-12-33)32(4)5/h7-8,15-16,18H,9-14H2,1-6H3,(H,30,35)(H2,27,28,29)"	""	""	""
"6594"	"echistatin"	""	"Peptide"	""	""	""	""	"178103207"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9074"	"echothiophate"	""	"Synthetic organic"	"yes"	""	""	""	"315661159"	"10548"	""	""	"CHEMBL1201341"	""	""	""	""	"2-diethoxyphosphorylsulfanylethyl(trimethyl)azanium"	""	"ecostigmine iodide|phospholine iodide"	"CCOP(=O)(SCC[N+](C)(C)C)OCC"	"BJOLKYGKSZKIGU-UHFFFAOYSA-N"	"InChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6-9H2,1-5H3/q+1"	""	""	""
"14487"	"ECI830"	""	"Synthetic organic"	""	""	""	""	"528429808"	"172269291"	""	""	""	""	""	""	""	"2'-[(5-ethoxy-1H-pyrazol-4-yl)amino]-7'-[(1R,3R)-3-hydroxycyclohexyl]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one"	""	"ECI-830|example 23 [US20240360137]|NVP-ECI-830|NVP-ECI830"	"CCOC1=NNC=C1NC2=NC3=C(C=N2)C4(CC4)C(=O)N3[C@@H]5CCC[C@@H](O)C5"	"YIXKYJBZOFQJFD-VXGBXAGGSA-N"	"InChI=1S/C19H24N6O3/c1-2-28-16-14(10-21-24-16)22-18-20-9-13-15(23-18)25(17(27)19(13)6-7-19)11-4-3-5-12(26)8-11/h9-12,26H,2-8H2,1H3,(H,21,24)(H,20,22,23)/t11-,12-/m1/s1"	""	""	""
"11308"	"eclitasertib"	""	"Synthetic organic"	""	""	""	""	"434321743"	"130298939"	""	""	"CHEMBL4861471"	""	""	""	""	"5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide"	"eclitasertib"	"DNL-758|DNL758|example 42 [WO2017136727A2]|SAR443122"	"O=C1[C@H](COc2c(N1C)nccc2)NC(=O)c1n[nH]c(n1)Cc1ccccc1"	"XUZICJHIIJCKQQ-ZDUSSCGKSA-N"	"InChI=1S/C19H18N6O3/c1-25-17-14(8-5-9-20-17)28-11-13(19(25)27)21-18(26)16-22-15(23-24-16)10-12-6-3-2-4-7-12/h2-9,13H,10-11H2,1H3,(H,21,26)(H,22,23,24)/t13-/m0/s1"	"yes"	""	""
"13970"	"ecnoglutide"	""	"Peptide"	""	""	""	""	"518520597"	"162625103"	""	""	""	""	""	""	""	""	"ecnoglutide"	"XW-003|XW003"	"CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC6=CNC=N6)N"	"DJMLKAVQDZZBNC-NYHUXPQOSA-N"	"InChI=1S/C194H304N48O61/c1-17-109(12)160(188(295)225-125(51-40-41-73-204-148(254)101-302-83-82-301-80-78-206-149(255)102-303-84-81-300-79-77-205-144(250)68-62-132(191(298)299)218-145(251)55-36-28-26-24-22-20-18-19-21-23-25-27-29-37-56-150(256)257)171(278)231-138(90-117-93-210-122-50-39-38-49-120(117)122)177(284)228-134(86-105(4)5)178(285)239-158(107(8)9)186(293)224-124(53-43-75-208-193(199)200)167(274)211-95-146(252)217-123(52-42-74-207-192(197)198)166(273)213-97-156(268)269)241-179(286)136(87-114-45-32-30-33-46-114)229-174(281)131(66-72-154(264)265)221-170(277)126(54-44-76-209-194(201)202)219-164(271)111(14)215-163(270)110(13)216-169(276)128(61-67-143(196)249)220-172(279)129(64-70-152(260)261)222-173(280)130(65-71-153(262)263)223-175(282)133(85-104(2)3)227-176(283)135(89-116-57-59-119(248)60-58-116)230-182(289)140(98-243)234-184(291)142(100-245)235-187(294)159(108(10)11)240-181(288)139(92-155(266)267)232-183(290)141(99-244)236-190(297)162(113(16)247)242-180(287)137(88-115-47-34-31-35-48-115)233-189(296)161(112(15)246)237-147(253)96-212-168(275)127(63-69-151(258)259)226-185(292)157(106(6)7)238-165(272)121(195)91-118-94-203-103-214-118/h30-35,38-39,45-50,57-60,93-94,103-113,121,123-142,157-162,210,243-248H,17-29,36-37,40-44,51-56,61-92,95-102,195H2,1-16H3,(H2,196,249)(H,203,214)(H,204,254)(H,205,250)(H,206,255)(H,211,274)(H,212,275)(H,213,273)(H,215,270)(H,216,276)(H,217,252)(H,218,251)(H,219,271)(H,220,279)(H,221,277)(H,222,280)(H,223,282)(H,224,293)(H,225,295)(H,226,292)(H,227,283)(H,228,284)(H,229,281)(H,230,289)(H,231,278)(H,232,290)(H,233,296)(H,234,291)(H,235,294)(H,236,297)(H,237,253)(H,238,272)(H,239,285)(H,240,288)(H,241,286)(H,242,287)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,298,299)(H4,197,198,207)(H4,199,200,208)(H4,201,202,209)/t109-,110-,111-,112+,113+,121-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,157-,158-,159-,160-,161-,162-/m0/s1"	""	""	""
"2446"	"econazole"	""	"Synthetic organic"	"yes"	""	""	""	"135650220"	"3198"	""	""	"CHEMBL808"	""	""	""	""	"1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole"	"econazole"	"R-14827|Spectazole&reg;"	"Clc1ccc(cc1)COC(c1ccc(cc1Cl)Cl)Cn1cncc1"	"LEZWWPYKPKIXLL-UHFFFAOYSA-N"	"InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2"	""	""	""
"3304"	"ecopipam"	""	"Synthetic organic"	""	""	""	""	"178100341"	"107930"	""	""	"CHEMBL298406"	""	""	""	""	"(6aS,13bR)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-12-ol"	"ecopipam"	"EBS-101|PSYRX-101|SCH 39166|SCH-39166|SCH39166"	"CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O"	"DMJWENQHWZZWDF-PKOBYXMFSA-N"	"InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1"	""	""	""
"6144"	"ectodysplasin A1"	"Human"	"Peptide"	""	""	""	""	"178102765"	"0"	"Q92838"	"ENSG00000158813"	""	""	""	""	""	""	""	"ectodysplasin-A isoform 1|ectodysplasin-A, membrane form|membrane isoform of ectodysplasin-A"	""	""	""	""	""	""
"6143"	"ectodysplasin A2"	"Human"	"Peptide"	""	""	""	""	"178102764"	"0"	"Q92838"	"ENSG00000158813"	""	""	""	""	""	""	""	"ectodysplasin-A, secreted form|secreted form of ectodysplasin-A"	""	""	""	""	""	""
"6884"	"eculizumab"	""	"Antibody"	"yes"	""	""	""	"178103466"	"0"	""	""	""	""	""	""	""	""	"eculizumab"	"h5G1.1|h5G1.1VHC|Soliris&reg;"	""	""	""	"yes"	""	""
"8907"	"edaglitazone"	""	"Synthetic organic"	""	""	""	""	"310264688"	"9825701"	""	""	""	""	""	""	""	"5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione"	"edaglitazone"	"BM 131258|BM13.1258|R 483"	"O=C1NC(=O)C(S1)Cc1ccc(c2c1scc2)OCCc1nc(oc1C)c1ccccc1"	"HAAXAFNSRADSMK-UHFFFAOYSA-N"	"InChI=1S/C24H20N2O4S2/c1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20/h2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28)"	""	""	""
"11994"	"edaravone"	""	"Synthetic organic"	""	""	""	""	"464244135"	"4021"	""	""	""	""	""	""	""	"5-methyl-2-phenyl-4H-pyrazol-3-one"	"edaravone"	"MCI-186|MCI186|Radicava&reg;|Radicut&reg;"	"CC1=NN(C(=O)C1)c1ccccc1"	"QELUYTUMUWHWMC-UHFFFAOYSA-N"	"InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3"	""	""	""
"11411"	"edaxeterkib"	""	"Synthetic organic"	""	""	""	""	"440816780"	"137101238"	""	""	""	""	""	""	""	""	"edaxeterkib"	"Example 104 [WO2015051341A1]"	"COc1ncc(cn1)c1n[nH]c2c1cc1CN([C@@H]3CCCN(C3)Cc3ccccc3)C(=O)Nc1c2"	"SQNCXVDXNAUREB-HXUWFJFHSA-N"	"InChI=1S/C26H27N7O2/c1-35-25-27-12-19(13-28-25)24-21-10-18-15-33(26(34)29-22(18)11-23(21)30-31-24)20-8-5-9-32(16-20)14-17-6-3-2-4-7-17/h2-4,6-7,10-13,20H,5,8-9,14-16H2,1H3,(H,29,34)(H,30,31)/t20-/m1/s1"	""	""	""
"12080"	"edecesertib"	""	"Synthetic organic"	""	""	""	""	"472319202"	"147817927"	""	""	""	""	""	""	""	"4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide"	"edecesertib"	""	"C(#N)[C@@H](C)Nc1c(cnc(c1)c1ccc2n1ncc(c2)C#N)C(=O)NC[C@H](C(C)(C)O)F"	"HORBHQPSWJRDSV-ZUOKHONESA-N"	"InChI=1S/C22H22FN7O2/c1-13(8-24)29-17-7-18(19-5-4-15-6-14(9-25)10-28-30(15)19)26-11-16(17)21(31)27-12-20(23)22(2,3)32/h4-7,10-11,13,20,32H,12H2,1-3H3,(H,26,29)(H,27,31)/t13-,20-/m1/s1"	""	""	""
"8942"	"edicotinib"	""	"Synthetic organic"	""	""	""	""	"310264723"	"25230468"	""	""	""	""	""	""	""	"4-cyano-N-[2-(4,4-dimethylcyclohex-1-en-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)pyridin-3-yl]-1H-imidazole-2-carboxamide"	"edicotinib"	"JNJ-40346527|JNJ40346527|US8497376, 15"	"N#Cc1c[nH]c(n1)C(=O)Nc1ccc(nc1C1=CCC(CC1)(C)C)C1CC(C)(C)OC(C1)(C)C"	"BNVPFDRNGHMRJS-UHFFFAOYSA-N"	"InChI=1S/C27H35N5O2/c1-25(2)11-9-17(10-12-25)22-21(32-24(33)23-29-16-19(15-28)30-23)8-7-20(31-22)18-13-26(3,4)34-27(5,6)14-18/h7-9,16,18H,10-14H2,1-6H3,(H,29,30)(H,32,33)"	"yes"	""	""
"13633"	"edifoligide"	""	"Nucleic acid"	""	""	""	""	"504705452"	"0"	""	""	"CHEMBL2109058"	""	""	""	""	""	"edifoligide"	"CGT-003|CGT003|E2F Duplex Decoy"	""	""	""	""	""	""
"13015"	"edonentan"	""	"Synthetic organic"	""	""	""	""	"485206136"	"156690"	""	""	"CHEMBL383581"	""	""	""	""	"N-[[2-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,3,3-trimethylbutanamide"	"edonentan"	"BMS-207940|BMS207940|compound 16a [PMID: 12502366]"	"CC1=C(ON=C1NS(=O)(=O)C2=CC=CC=C2C3=C(C=C(C=C3)C4=NC=CO4)CN(C)C(=O)CC(C)(C)C)C"	"ORJRYNKVKJAJPY-UHFFFAOYSA-N"	"InChI=1S/C28H32N4O5S/c1-18-19(2)37-30-26(18)31-38(34,35)24-10-8-7-9-23(24)22-12-11-20(27-29-13-14-36-27)15-21(22)17-32(6)25(33)16-28(3,4)5/h7-15H,16-17H2,1-6H3,(H,30,31)"	""	""	""
"5638"	"edotreotide"	""	"Peptide"	"yes"	""	""	""	"178102266"	"0"	""	""	""	""	""	""	""	""	"edotreotide"	"DOTA-Tyr<sup>3</sup>-octreotide|DOTA<sup>0</sup>-Phe<sup>1</sup>-Tyr<sup>3</sup>-octreotide|Ga-DOTA-TOC|Ga-DOTATOC|SMT487|SomaKit TOC&reg;"	""	""	""	""	""	""
"7575"	"edoxaban"	""	"Synthetic organic"	"yes"	""	""	""	"223365911"	"10280735"	""	""	"CHEMBL1269025"	""	""	""	""	"N'-(5-chloropyridin-2-yl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide"	"edoxaban"	"DU-176|DU-176b|edoxaban tosylate|Lixiana&reg;|Savaysa&reg;"	"CN1CCc2c(C1)sc(n2)C(=O)N[C@@H]1C[C@H](CC[C@@H]1NC(=O)C(=O)Nc1ccc(cn1)Cl)C(=O)N(C)C"	"HGVDHZBSSITLCT-JLJPHGGASA-N"	"InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1"	""	""	""
"7984"	"edrecolomab"	""	"Antibody"	"yes"	"yes"	""	""	"249565665"	"0"	""	""	""	""	""	""	""	""	"edrecolomab"	"17-1A|PANOREX&reg; (proposed trade name)"	""	""	""	""	""	""
"9073"	"edrophonium"	""	"Synthetic organic"	"yes"	""	""	""	"315661158"	"3202"	""	""	"CHEMBL1104"	""	""	""	""	"ethyl-(3-hydroxyphenyl)-dimethylazanium"	"edrophonium chloride"	"Enlon&reg;|Tensilon&reg;"	"CC[N+](c1cccc(c1)O)(C)C"	"VWLHWLSRQJQWRG-UHFFFAOYSA-O"	"InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1"	""	""	""
"14040"	"EDT001"	""	"Synthetic organic"	""	""	""	""	"518520667"	"176516519"	""	""	""	""	""	""	""	"2-[({3-amino-5H-pyrrolo[2,3-b]pyrazin-2-yl}formamido)methyl]-1,3-diethyl-6-(4-{[(2S,3R,4R,5R)-2,3,4,5,7-pentahydroxyheptyl][(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino}piperidine-1-carbonyl)-1H-1,3-benzodiazol-3-ium"	""	"compound 30h [PMID: 39561495]|EDT-001"	"CCN1C(CNC(=O)C2=NC3=C(NC=C3)N=C2N)=[N+](CC)C4=C1C=C(C=C4)C(=O)N5CCC(CC5)N(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CC"	"RLCCGUXFUIOTNJ-VHEYFQGPSA-O"	"InChI=1S/C38H57N9O11/c1-4-25(49)31(53)32(54)26(50)17-45(18-27(51)33(55)34(56)28(52)19-48)21-10-13-44(14-11-21)38(58)20-7-8-23-24(15-20)47(6-3)29(46(23)5-2)16-41-37(57)30-35(39)43-36-22(42-30)9-12-40-36/h7-9,12,15,21,25-28,31-34,48-56H,4-6,10-11,13-14,16-19H2,1-3H3,(H3-,39,40,41,42,43,57)/p+1/t25-,26+,27+,28-,31-,32-,33-,34-/m1/s1"	""	""	""
"6593"	"efalizumab"	""	"Antibody"	"yes"	"yes"	""	""	"178103206"	"0"	""	""	"CHEMBL1201575"	""	""	""	""	""	"efalizumab"	"anti alphaL integrin|antiCD11 alpha|hu1124|Raptiva&reg;"	""	""	""	"yes"	""	""
"13086"	"efanesoctocog alfa"	""	"Peptide"	"yes"	""	""	""	"491299868"	"0"	""	""	""	""	""	""	""	""	"efanesoctocog alfa"	"ALTUVIIIO&reg;|Altuvoct&reg;|BIVV-001|BIVV001|Fc-VWF-XTEN"	""	""	""	""	""	""
"11287"	"efavirenz"	""	"Synthetic organic"	"yes"	""	""	""	"434321722"	"64139"	""	""	"CHEMBL223228"	""	""	""	""	"(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one"	"efavirenz"	"DMP-266|DMP266|EFV|L-743,726|L-743726|Stocrin&reg;|Sustiva&reg;"	"FC([C@@]1(C#CC2CC2)OC(=O)Nc2c1cc(Cl)cc2)(F)F"	"XPOQHMRABVBWPR-ZDUSSCGKSA-N"	"InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1"	""	""	""
"14347"	"efepristin"	""	"Synthetic organic"	""	""	""	""	"523352139"	"5748661"	""	""	"CHEMBL2105803"	""	""	""	""	""	"efepristin"	"ostreogrycin B<sub>2</sub>|pristinamycin I<sub>B</sub>|vernamycin B<sub>&beta;</sub>"	"CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CCC(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=C(C=C6)NC)C"	"PCOXSOQWQVRJCH-RIECGXCRSA-N"	"InChI=1S/C44H52N8O10/c1-5-30-41(58)51-21-10-13-31(51)42(59)50(4)33(23-26-15-17-28(45-3)18-16-26)43(60)52-22-19-29(53)24-32(52)38(55)49-36(27-11-7-6-8-12-27)44(61)62-25(2)35(39(56)47-30)48-40(57)37-34(54)14-9-20-46-37/h6-9,11-12,14-18,20,25,30-33,35-36,45,54H,5,10,13,19,21-24H2,1-4H3,(H,47,56)(H,48,57)(H,49,55)/t25-,30-,31+,32+,33+,35+,36+/m1/s1"	""	""	"yes"
"9777"	"efgartigimod alfa"	""	"Antibody"	"yes"	""	""	""	"354702250"	"0"	""	""	""	""	""	""	""	""	"efgartigimod alfa"	"ARGX-113|efgartigimod alfa-fcab|Vyvgart&reg;"	""	""	""	"yes"	""	""
"11097"	"efineptakin alfa"	""	"Peptide"	""	""	""	""	"434122158"	"0"	""	""	""	""	""	""	""	""	"efineptakin alfa"	"GX-I7|Hyleukin-7|Il-7 hybrid Fc|NT-I7|rhIL-7-hyFc|TJ-107"	""	""	""	"yes"	""	""
"12180"	"eflapegrastim"	""	"Peptide"	"yes"	""	""	""	"472319302"	"0"	""	""	""	""	""	""	""	""	"eflapegrastim"	"eflapegrastim-xnst|HM-10460A|HM10460A|rolontis|Rolvedon&reg;|SPI-2012|SPI2012"	""	""	""	""	""	""
"5176"	"eflornithine"	""	"Synthetic organic"	"yes"	""	""	""	"178101866"	"3009"	""	""	"CHEMBL830"	""	""	""	""	"2,5-diamino-2-(difluoromethyl)pentanoic acid"	"eflornithine"	"2-(difluoromethyl)ornithine (DMFO)|difluoromethylornithine|DL-alpha-difluoromethylornithine|Iwilfin&reg;|Ornidyl&reg;|Vaniqa&reg;"	"NCCCC(C(=O)O)(C(F)F)N"	"VLCYCQAOQCDTCN-UHFFFAOYSA-N"	"InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)"	""	""	""
"12212"	"efmarodocokin alfa"	""	"Antibody"	""	""	""	""	"472319332"	"0"	""	""	""	""	""	""	""	""	"efmarodocokin alfa"	"IL-22Fc|RG 7880|RG7880|UTTR1147A"	""	""	""	""	""	""
"12565"	"efonidipine"	""	"Synthetic organic"	"yes"	""	""	""	"479821355"	"119171"	""	""	"CHEMBL2074922"	""	""	""	""	"2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate"	"efonidipine"	"Landel&reg;|NZ-105 (efonidipine HCl)"	"CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5"	"NSVFSAJIGAJDMR-UHFFFAOYSA-N"	"InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3"	""	""	""
"7774"	"EFPPEA"	""	"Synthetic organic"	""	""	""	""	"223366107"	"24954989"	""	""	"CHEMBL1802025"	""	""	""	""	""	""	"ethyl-furo-pyrazolo-pyridine-ethyl-acetamide|N-[2-(2-Ethyl-8,9-dihydrofuro[3,2-c]pyrazolo[1,5-a]pyridin-1-yl)ethyl]acetamide"	"CCc1nn2c(c1CCNC(=O)C)c1CCOc1cc2"	"IZDHETWMKYCGAU-UHFFFAOYSA-N"	"InChI=1S/C15H19N3O2/c1-3-13-11(4-7-16-10(2)19)15-12-6-9-20-14(12)5-8-18(15)17-13/h5,8H,3-4,6-7,9H2,1-2H3,(H,16,19)"	""	""	""
"10648"	"efsevin"	""	"Synthetic organic"	""	""	""	""	"404859095"	"6610084"	""	""	""	""	""	""	""	"ethyl 1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole-3-carboxylate"	""	""	"CCOC(=O)C1=CCN(C1c1ccccc1)S(=O)(=O)c1ccc(cc1)C"	"QMRVCOQYPZTTAJ-UHFFFAOYSA-N"	"InChI=1S/C20H21NO4S/c1-3-25-20(22)18-13-14-21(19(18)16-7-5-4-6-8-16)26(23,24)17-11-9-15(2)10-12-17/h4-13,19H,3,14H2,1-2H3"	""	""	""
"1478"	"EFWSLAAPQRF-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"135652144"	"0"	""	""	""	""	""	""	""	""	""	"EFW-NPSF"	""	""	""	""	""	""
"13199"	"efzofitimod"	""	"Peptide"	""	""	""	""	"491299981"	"0"	""	""	""	""	""	""	""	""	"efzofitimod"	"ATYR-1923|ATYR1923|KRP-R120"	""	""	""	"yes"	""	""
"11335"	"EG00229"	""	"Synthetic organic"	""	""	""	""	"440816704"	"44631827"	""	""	"CHEMBL1078974"	""	""	""	""	""	""	"compound 2 [PMID: 20151671]|EG-00229"	"NC(=N)NCCC[C@@H](C(=O)O)NC(=O)c1sccc1NS(=O)(=O)c1cccc2c1nsn2"	"ZWWMEDURALZMEV-NSHDSACASA-N"	"InChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1"	""	""	""
"12315"	"EG-011"	""	"Synthetic organic"	""	""	""	""	"479821106"	"139552342"	""	""	""	""	""	""	""	"1-[(4-phenoxyphenyl)methyl]-3-(1-prop-2-enoylpiperidin-3-yl)pyrido[3,2-d]pyrimidine-2,4-dione"	""	""	"C=CC(=O)N1CCCC(C1)n1c(=O)n(Cc2ccc(Oc3ccccc3)cc2)c2c(nccc2)c1=O"	"JBKILBGEQHFIOB-UHFFFAOYSA-N"	"InChI=1S/C28H26N4O4/c1-2-25(33)30-17-7-8-21(19-30)32-27(34)26-24(11-6-16-29-26)31(28(32)35)18-20-12-14-23(15-13-20)36-22-9-4-3-5-10-22/h2-6,9-16,21H,1,7-8,17-19H2"	""	""	""
"9904"	"EG01377"	""	"Synthetic organic"	""	""	""	""	"363894198"	"133081972"	""	""	""	""	""	""	""	"(2S)-2-[(3-{5-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-7-sulfonamido}thiophen-2-yl)formamido]-5-carbamimidamidopentanoic acid"	""	"(3-((5-(4-(aminomethyl)phenyl)-2,3-dihydrobenzofuran)-7-sulfonamido)thiophene- 2-carbonyl)-L-arginine|compound 1 [PMID: 29648813]"	"NCc1ccc(cc1)c1cc2CCOc2c(c1)S(=O)(=O)Nc1ccsc1C(=O)N[C@H](C(=O)O)CCCNC(=N)N"	"SEXUXSMBJLNXIR-FQEVSTJZSA-N"	"InChI=1S/C26H30N6O6S2/c27-14-15-3-5-16(6-4-15)18-12-17-7-10-38-22(17)21(13-18)40(36,37)32-19-8-11-39-23(19)24(33)31-20(25(34)35)2-1-9-30-26(28)29/h3-6,8,11-13,20,32H,1-2,7,9-10,14,27H2,(H,31,33)(H,34,35)(H4,28,29,30)/t20-/m0/s1"	"yes"	""	""
"12732"	"EG-1-203"	""	"Synthetic organic"	""	""	""	""	"483123280"	"155771777"	""	""	"CHEMBL4781853"	""	""	""	""	"3-((1S,5R,9R)-2-Phenethyl-9-propyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol"	""	"compound 12 [PMID: 33479684]"	"C(CC1=CC=CC=C1)N2[C@H]3CCC[C@@](CC2)([C@H]3CCC)C=4C=C(C=CC4)O"	"GWXQYLLBILOVKW-SDHOMARFSA-N"	"InChI=1S/C25H33NO/c1-2-8-23-24-13-7-15-25(23,21-11-6-12-22(27)19-21)16-18-26(24)17-14-20-9-4-3-5-10-20/h3-6,9-12,19,23-24,27H,2,7-8,13-18H2,1H3/t23-,24-,25-/m0/s1"	""	""	""
"12733"	"EG-1-230"	""	"Synthetic organic"	""	""	""	""	"483123281"	"155771774"	""	""	"CHEMBL4752583"	""	""	""	""	"3-((1S,5R,9R)-9-((E)-3-Hydroxyprop-1-en-1-yl)-2-phenethyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol"	""	"compound 13 [PMID: 33479684]"	"OC/C=C/[C@H]1[C@H]2N(CC[C@@]1(CCC2)C=3C=C(C=CC3)O)CCC4=CC=CC=C4"	"FTDOOEOFAZGQEK-ZADLEFMZSA-N"	"InChI=1S/C25H31NO2/c27-18-6-11-23-24-12-5-14-25(23,21-9-4-10-22(28)19-21)15-17-26(24)16-13-20-7-2-1-3-8-20/h1-4,6-11,19,23-24,27-28H,5,12-18H2/b11-6+/t23-,24-,25-/m0/s1"	""	""	""
"13604"	"EG-2184"	""	"Synthetic organic"	""	""	""	""	"504705423"	"166472515"	""	""	""	""	""	""	""	"4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-dipropylbenzenesulfonamide"	""	"compound 1 [WO2023283743]|EG2184"	"CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O"	"CCWOXBCAJPDHSG-UHFFFAOYSA-N"	"InChI=1S/C15H19F6NO3S/c1-3-9-22(10-4-2)26(24,25)12-7-5-11(6-8-12)13(23,14(16,17)18)15(19,20)21/h5-8,23H,3-4,9-10H2,1-2H3"	""	""	""
"11290"	"EG3287"	""	"Peptide"	""	""	""	""	"434321725"	"0"	""	""	""	""	""	""	""	""	""	"VEGFA(138-165)"	""	""	""	""	""	""
"9563"	"eganelisib"	""	"Synthetic organic"	""	""	""	""	"336446949"	"91933883"	""	""	""	""	""	""	""	"2-amino-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide"	"eganelisib"	"compound 26 [PMID: 27660692]|IPI-549|IPI549"	"Cn1ncc(c1)C#Cc1cccc2c1c(=O)n(c(c2)[C@@H](NC(=O)c1c(N)nn2c1nccc2)C)c1ccccc1"	"XUMALORDVCFWKV-IBGZPJMESA-N"	"InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1"	"yes"	""	""
"4916"	"EGF"	"Human"	"Peptide"	""	""	""	""	"178101615"	"0"	"P01133"	"ENSG00000138798"	""	""	""	""	""	""	""	"urogastrone"	""	""	""	""	""	""
"5965"	"EGFR/ErbB-2/ErbB-4 inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102588"	"11566580"	""	""	"CHEMBL203644"	""	""	""	""	"N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}but-2-ynamide"	""	"HDS 029"	"CC#CC(=O)Nc1ncc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)F"	"DLPSDPPZXRJQOY-UHFFFAOYSA-N"	"InChI=1S/C17H11ClFN5O/c1-2-3-16(25)24-15-7-11-14(8-20-15)21-9-22-17(11)23-10-4-5-13(19)12(18)6-10/h4-9H,1H3,(H,20,24,25)(H,21,22,23)"	""	""	""
"5964"	"EGFR/ErbB-2 inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102587"	"9843206"	""	""	"CHEMBL563845"	""	""	""	""	"N-[4-(benzyloxy)phenyl]-6,7-dimethoxyquinazolin-4-amine"	""	"4557W"	"COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)OCc1ccccc1"	"DNOKYISWMVFYFA-UHFFFAOYSA-N"	"InChI=1S/C23H21N3O3/c1-27-21-12-19-20(13-22(21)28-2)24-15-25-23(19)26-17-8-10-18(11-9-17)29-14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,24,25,26)"	""	""	""
"5963"	"EGFR inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102586"	"9549299"	""	""	"CHEMBL387187"	""	""	""	""	"N-{3-[(6-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}cyclopropanecarboxamide"	""	""	"O=C(C1CC1)Nc1cccc(c1)Nc1ncnc(c1)Nc1cccc(c1)C(F)(F)F"	"YOHYSYJDKVYCJI-UHFFFAOYSA-N"	"InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(9-14)27-18-11-19(26-12-25-18)28-16-5-2-6-17(10-16)29-20(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,29,30)(H2,25,26,27,28)"	""	""	""
"12278"	"EGFR inhibitor 57"	""	"Synthetic organic"	""	""	""	""	"473153866"	"163388532"	""	""	""	""	""	""	""	"2-[4-(difluoromethyl)-6-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-7-methylindazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide"	""	""	"FC(F)c1c2cn(nc2c(c(c1)C#Cc1ccc(cc1)CN1CCC(CC1)CO)C)C(c1ncn2c1CCC12CC1)C(=O)Nc1sccn1"	"XGCQKFFIRIFVIZ-UHFFFAOYSA-N"	"InChI=1S/C37H37F2N7O2S/c1-23-27(7-6-24-2-4-25(5-3-24)19-44-15-9-26(21-47)10-16-44)18-28(34(38)39)29-20-46(43-31(23)29)33(35(48)42-36-40-14-17-49-36)32-30-8-11-37(12-13-37)45(30)22-41-32/h2-5,14,17-18,20,22,26,33-34,47H,8-13,15-16,19,21H2,1H3,(H,40,42,48)"	""	""	""
"11959"	"EGIS-11150"	""	"Synthetic organic"	""	""	""	""	"464244100"	"9909267"	""	""	""	""	""	""	""	""	""	"EGIS11150|S 36549|S-36549|S36549"	"Cn1c(=O)c(c(cn1)NCCN1CCC(CC1)c1noc2c1ccc(c2)F)Cl"	"BQNLTXZVZWVEDX-UHFFFAOYSA-N"	"InChI=1S/C19H21ClFN5O2/c1-25-19(27)17(20)15(11-23-25)22-6-9-26-7-4-12(5-8-26)18-14-3-2-13(21)10-16(14)28-24-18/h2-3,10-12,22H,4-9H2,1H3"	""	""	""
"176"	"EGIS-7625"	""	"Synthetic organic"	""	""	""	""	"135650223"	"9930789"	""	""	"CHEMBL1628720"	""	""	""	""	"2-methyl-4-nitro-5-[4-(phenylmethyl)piperazin-1-yl]aniline"	""	""	"Nc1cc(N2CCN(CC2)Cc2ccccc2)c(cc1C)[N+](=O)[O-]"	"ZEFXWOMFCPRXJW-UHFFFAOYSA-N"	"InChI=1S/C18H22N4O2/c1-14-11-18(22(23)24)17(12-16(14)19)21-9-7-20(8-10-21)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13,19H2,1H3"	""	""	""
"1400"	"eGlu"	""	"Synthetic organic"	""	""	""	""	"135650224"	"5311079"	""	""	"CHEMBL1450466"	""	""	""	""	"(2S)-2-amino-2-ethylpentanedioic acid"	""	"(s)-&alpha;-ethylglutamate|EGLU"	"CC[C@@](C(=O)O)(CCC(=O)O)N"	"QFYBYZLHPIALCZ-ZETCQYMHSA-N"	"InChI=1S/C7H13NO4/c1-2-7(8,6(11)12)4-3-5(9)10/h2-4,8H2,1H3,(H,9,10)(H,11,12)/t7-/m0/s1"	""	""	""
"1393"	"eglumegad"	""	"Synthetic organic"	""	""	""	""	"135650554"	"213056"	""	""	"CHEMBL8759"	""	""	""	""	"(1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid"	"eglumetad"	"LY354740"	"OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O"	"VTAARTQTOOYTES-RGDLXGNYSA-N"	"InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1"	""	""	""
"5179"	"EHNA"	""	"Synthetic organic"	""	""	""	""	"178101869"	"135450187"	""	""	"CHEMBL1257094"	""	""	""	""	"9-[(2R,3S)-2-hydroxynonan-3-yl]-9H-purin-6-aminium chloride"	""	"<i>erythro</i>-9-(2-hydroxy-3-nonyl)adenine hydrochloride"	"CCCCCC[C@H](n1cnc2c1ncnc2[NH3+])[C@H](O)C.[Cl-]"	"VVDXNJRUNJMYOZ-DHXVBOOMSA-N"	"InChI=1S/C14H23N5O.ClH/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19;/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17);1H/t10-,11+;/m1./s1"	""	""	""
"11061"	"EHop 016"	""	"Synthetic organic"	""	""	""	""	"405560502"	"51031035"	""	""	"CHEMBL3237589"	""	""	""	""	"4-N-(9-ethylcarbazol-3-yl)-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine"	""	"EHop-016|EHop016"	"CCn1c2ccc(cc2c2c1cccc2)Nc1ccnc(n1)NCCCN1CCOCC1"	"AFTZZRFCMOAFCR-UHFFFAOYSA-N"	"InChI=1S/C25H30N6O/c1-2-31-22-7-4-3-6-20(22)21-18-19(8-9-23(21)31)28-24-10-12-27-25(29-24)26-11-5-13-30-14-16-32-17-15-30/h3-4,6-10,12,18H,2,5,11,13-17H2,1H3,(H2,26,27,28,29)"	""	""	""
"11059"	"EHT 1864"	""	"Synthetic organic"	""	""	""	""	"405560500"	"9938203"	""	""	"CHEMBL1186585"	""	""	""	""	"2-(morpholin-4-ylmethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one"	""	"EHT-1864|EHT1864"	"O=c1cc(occ1OCCCCCSc1ccnc2c1ccc(c2)C(F)(F)F)CN1CCOCC1"	"MIDUFIRTIFUTQA-UHFFFAOYSA-N"	"InChI=1S/C25H27F3N2O4S/c26-25(27,28)18-4-5-20-21(14-18)29-7-6-24(20)35-13-3-1-2-10-33-23-17-34-19(15-22(23)31)16-30-8-11-32-12-9-30/h4-7,14-15,17H,1-3,8-13,16H2"	""	""	""
"7013"	"EI1"	""	"Synthetic organic"	""	""	""	""	"178103592"	"72199293"	""	""	""	""	""	""	""	"6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindole-4-carboxamide"	""	"KB-145943"	"CCC(n1ccc2c1cc(C#N)cc2C(=O)NCc1c(C)cc([nH]c1=O)C)CC"	"PFHDWRIVDDIFRP-UHFFFAOYSA-N"	"InChI=1S/C23H26N4O2/c1-5-17(6-2)27-8-7-18-19(10-16(12-24)11-21(18)27)22(28)25-13-20-14(3)9-15(4)26-23(20)29/h7-11,17H,5-6,13H2,1-4H3,(H,25,28)(H,26,29)"	""	""	""
"2669"	"eicosatetranoic acid"	""	"Metabolite"	""	""	""	""	"135651482"	"1780"	""	""	"CHEMBL458328"	""	""	""	""	"icosa-5,8,11,14-tetraynoic acid"	""	"ETYA"	"CCCCCC#CCC#CCC#CCC#CCCCC(=O)O"	"MGLDCXPLYOWQRP-UHFFFAOYSA-N"	"InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)"	""	""	""
"1566"	"EISAI-1"	""	"Peptide"	""	""	""	""	"135652145"	"130482"	""	""	""	""	""	""	""	"ethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-methylaminopentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoate"	""	""	"NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)OCC)CC(C)C)Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCN=C(N)N)NC"	"BLWANJSERJECRU-ULWXFTFZSA-N"	"InChI=1S/C43H71N11O7/c1-8-61-41(60)33(23-26(2)3)52-39(58)35(43(4,5)6)53-37(56)32(24-27-25-49-29-16-10-9-15-28(27)29)51-38(57)34-19-14-22-54(34)40(59)31(17-11-12-20-44)50-36(55)30(47-7)18-13-21-48-42(45)46/h9-10,15-16,25-26,30-35,47,49H,8,11-14,17-24,44H2,1-7H3,(H,50,55)(H,51,57)(H,52,58)(H,53,56)(H4,45,46,48)/t30-,31-,32-,33-,34-,35+/m0/s1"	""	""	""
"1567"	"EISAI-2"	""	"Peptide"	""	""	""	""	"135652146"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11500"	"EK-1"	""	"Peptide"	""	""	""	""	"441604872"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11501"	"EK-1-C4"	""	"Peptide"	""	""	""	""	"441604873"	"0"	""	""	""	""	""	""	""	""	""	"EK1C4"	""	""	""	""	""	""
"8526"	"Elabela/Toddler-11"	"Human"	"Peptide"	""	""	""	""	"252166728"	"127043376"	"P0DMC3"	"ENSG00000248329"	""	""	""	""	""	""	""	"ELA-11"	"CSCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"	"XXKPNJFJXZBRMX-HDKAIKTRSA-N"	"InChI=1S/C58H90N16O13S2/c1-32(2)25-39(68-52(81)43-16-10-21-72(43)54(83)38(19-24-89-5)66-47(76)36(59)30-88)49(78)67-40(27-35-28-62-31-64-35)50(79)70-42(29-75)51(80)65-37(15-9-20-63-58(60)61)48(77)71-46(33(3)4)56(85)73-22-11-17-44(73)53(82)69-41(26-34-13-7-6-8-14-34)55(84)74-23-12-18-45(74)57(86)87/h6-8,13-14,28,31-33,36-46,75,88H,9-12,15-27,29-30,59H2,1-5H3,(H,62,64)(H,65,80)(H,66,76)(H,67,78)(H,68,81)(H,69,82)(H,70,79)(H,71,77)(H,86,87)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1"	""	""	""
"8525"	"Elabela/Toddler-21"	"Human"	"Peptide"	""	""	""	""	"252166727"	"155817503"	"P0DMC3"	"ENSG00000248329"	""	""	""	""	""	""	""	"ELA-21"	"CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"	"TXSAAXFWNUKYQL-FMGZCOAKSA-N"	"InChI=1S/C112H186N40O25S3/c1-58(2)44-65(114)88(156)133-67(25-15-36-127-109(117)118)89(157)134-66(24-13-14-35-113)91(159)141-75(48-63-51-125-56-131-63)97(165)143-77(50-86(116)155)99(167)148-81(55-179)102(170)140-73(45-59(3)4)95(163)138-71(32-33-85(115)154)93(161)136-68(26-16-37-128-110(119)120)90(158)135-69(27-17-38-129-111(121)122)92(160)147-80(54-178)101(169)139-72(34-43-180-9)105(173)150-40-19-29-82(150)103(171)144-74(46-60(5)6)96(164)142-76(49-64-52-126-57-132-64)98(166)146-79(53-153)100(168)137-70(28-18-39-130-112(123)124)94(162)149-87(61(7)8)107(175)151-41-20-30-83(151)104(172)145-78(47-62-22-11-10-12-23-62)106(174)152-42-21-31-84(152)108(176)177/h10-12,22-23,51-52,56-61,65-84,87,153,178-179H,13-21,24-50,53-55,113-114H2,1-9H3,(H2,115,154)(H2,116,155)(H,125,131)(H,126,132)(H,133,156)(H,134,157)(H,135,158)(H,136,161)(H,137,168)(H,138,163)(H,139,169)(H,140,170)(H,141,159)(H,142,164)(H,143,165)(H,144,171)(H,145,172)(H,146,166)(H,147,160)(H,148,167)(H,149,162)(H,176,177)(H4,117,118,127)(H4,119,120,128)(H4,121,122,129)(H4,123,124,130)/t65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-/m0/s1"	""	""	""
"8524"	"Elabela/Toddler-32"	"Human"	"Peptide"	""	""	""	""	"252166726"	"134813897"	"P0DMC3"	"ENSG00000248329"	""	""	""	""	""	""	""	"ELA-32"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccccc1)C(C)C)CCCN=C(N)N)CO)Cc1nc[nH]c1)CC(C)C)CCSC)CS)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)CC(C)C)CS)CC(=O)N)Cc1nc[nH]c1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CCCN=C(N)N)CC(=O)N)CC(C)C)CCSC)CCCN=C(N)N)CCCN=C(N)N)CCCCN)CC(C)C)CCCN=C(N)N"	"AXGBCVTUKUUUPN-PXWSXZDTSA-N"	"InChI=1S/C170H291N63O39S4/c1-86(2)70-109(215-137(245)97(36-19-21-55-171)203-133(241)99(38-23-57-194-164(178)179)205-135(243)101(40-25-59-196-166(182)183)208-141(249)106(53-68-275-14)212-158(266)131(92(13)235)229-150(258)112(73-89(7)8)216-148(256)116(78-128(177)239)222-157(265)129(90(9)10)227-156(264)123-47-31-65-231(123)159(267)107(44-29-63-200-170(190)191)213-132(240)96(173)49-51-125(174)236)143(251)209-102(41-26-60-197-167(184)185)136(244)204-98(37-20-22-56-172)138(246)218-113(75-94-79-192-84-201-94)146(254)220-115(77-127(176)238)149(257)226-120(83-274)153(261)217-110(71-87(3)4)144(252)211-105(50-52-126(175)237)140(248)207-100(39-24-58-195-165(180)181)134(242)206-103(42-27-61-198-168(186)187)139(247)225-119(82-273)152(260)214-108(54-69-276-15)160(268)230-64-30-45-121(230)154(262)221-111(72-88(5)6)145(253)219-114(76-95-80-193-85-202-95)147(255)224-118(81-234)151(259)210-104(43-28-62-199-169(188)189)142(250)228-130(91(11)12)162(270)232-66-32-46-122(232)155(263)223-117(74-93-34-17-16-18-35-93)161(269)233-67-33-48-124(233)163(271)272/h16-18,34-35,79-80,84-92,96-124,129-131,234-235,273-274H,19-33,36-78,81-83,171-173H2,1-15H3,(H2,174,236)(H2,175,237)(H2,176,238)(H2,177,239)(H,192,201)(H,193,202)(H,203,241)(H,204,244)(H,205,243)(H,206,242)(H,207,248)(H,208,249)(H,209,251)(H,210,259)(H,211,252)(H,212,266)(H,213,240)(H,214,260)(H,215,245)(H,216,256)(H,217,261)(H,218,246)(H,219,253)(H,220,254)(H,221,262)(H,222,265)(H,223,263)(H,224,255)(H,225,247)(H,226,257)(H,227,264)(H,228,250)(H,229,258)(H,271,272)(H4,178,179,194)(H4,180,181,195)(H4,182,183,196)(H4,184,185,197)(H4,186,187,198)(H4,188,189,199)(H4,190,191,200)/t92-,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,129+,130+,131+/m1/s1"	""	""	""
"12339"	"elacestrant"	""	"Synthetic organic"	"yes"	""	""	""	"479821130"	"23642301"	""	""	"CHEMBL4297509"	""	""	""	""	"(6R)-6-[2-[ethyl-[[4-[2-(ethylamino)ethyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol"	"elacestrant"	"ER-306323|ER306323|Orserdu&reg;|RAD-1901|RAD1901"	"CCNCCc1ccc(cc1)CN(CC)c1c(ccc(c1)OC)[C@@H]1CCc2c(C1)ccc(c2)O"	"SIFNOOUKXBRGGB-AREMUKBSSA-N"	"InChI=1S/C30H38N2O2/c1-4-31-17-16-22-6-8-23(9-7-22)21-32(5-2)30-20-28(34-3)14-15-29(30)26-11-10-25-19-27(33)13-12-24(25)18-26/h6-9,12-15,19-20,26,31,33H,4-5,10-11,16-18,21H2,1-3H3/t26-/m1/s1"	""	""	""
"13578"	"elacridar"	""	"Synthetic organic"	""	""	""	""	"504705397"	"119373"	""	""	"CHEMBL396298"	""	""	""	""	"N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide"	"elacridar"	"GF-120918|GF120918|GG918|GW-120918|GW120918"	"COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC"	"OSFCMRGOZNQUSW-UHFFFAOYSA-N"	"InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)"	""	""	""
"11135"	"elafibranor"	""	"Synthetic organic"	"yes"	""	""	""	"434122195"	"9864881"	""	""	"CHEMBL3707395"	""	""	""	""	"2-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid"	"elafibranor"	"GFT-505|GFT505|Iqirvo&reg;"	"CSc1ccc(cc1)C(=O)/C=C/c1cc(C)c(c(c1)C)OC(C(=O)O)(C)C"	"AFLFKFHDSCQHOL-IZZDOVSWSA-N"	"InChI=1S/C22H24O4S/c1-14-12-16(13-15(2)20(14)26-22(3,4)21(24)25)6-11-19(23)17-7-9-18(27-5)10-8-17/h6-13H,1-5H3,(H,24,25)/b11-6+"	""	""	""
"12035"	"elafin"	"Human"	"Peptide"	""	""	""	""	"464244176"	"0"	"P19957"	"ENSG00000124102"	""	""	""	""	""	""	""	"cementoin|trappin-2"	""	""	""	"yes"	""	""
"8362"	"elagolix"	""	"Synthetic organic"	"yes"	""	""	""	"252166574"	"11250647"	""	""	"CHEMBL1208155"	""	""	""	""	"4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid"	"elagolix"	"compound 10b [PMID 19006286]|NBI-56418|NBI56418|Orilissa&reg;"	"COc1cccc(c1F)c1c(=O)n(C[C@@H](c2ccccc2)NCCCC(=O)O)c(=O)n(c1C)Cc1c(F)cccc1C(F)(F)F"	"HEAUOKZIVMZVQL-VWLOTQADSA-N"	"InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1"	""	""	""
"14276"	"elamipretide"	""	"Peptide"	"yes"	""	""	""	"521588916"	"11764719"	""	""	"CHEMBL3833370"	""	""	""	""	"(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]hexanamide"	"elamipretide"	"bendavia|Forzinity&reg;|MTP-131|MTP131|SS-31|SS31"	"CC1=CC(=CC(=C1C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)N)C)O"	"SFVLTCAESLKEHH-WKAQUBQDSA-N"	"InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-27(41-29(44)24(34)11-8-14-38-32(36)37)31(46)39-25(12-6-7-13-33)30(45)40-26(28(35)43)17-21-9-4-3-5-10-21/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,45)(H,41,44)(H4,36,37,38)/t24-,25+,26+,27+/m1/s1"	""	""	""
"2783"	"eldecalcitol"	""	"Synthetic organic"	"yes"	""	""	""	"135650221"	"6918141"	""	""	""	""	""	""	""	"(1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol"	"eldecalcitol"	"1&alpha;,25-dihydroxy-2&beta;-(3-hydroxypropoxy)vitamin D3|2&beta;-(3-hydroxypropoxy)calcitriol|ED-71"	"OCCCO[C@@H]1[C@H](O)C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C)/C(=C)[C@H]1O"	"FZEXGDDBXLBRTD-AYIMTCTASA-N"	"InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28-,30-/m1/s1"	""	""	""
"9047"	"eldelumab"	""	"Antibody"	""	""	""	""	"315661132"	"0"	""	""	""	""	""	""	""	""	"eldelumab"	"BMS-936557|MDX-1100"	""	""	""	"yes"	""	""
"14728"	"elebsiran"	""	"Nucleic acid"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"elebsiran"	"ALN-81890|BRII-835|VIR-2218"	""	""	""	""	""	""
"8413"	"eleclazine"	""	"Synthetic organic"	""	""	""	""	"252166623"	"71183216"	""	""	""	""	""	""	""	"4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one"	"eleclazine"	"GS-6615|GS6615"	"O=C1N(CCOc2c1cc(cc2)c1ccc(cc1)OC(F)(F)F)Cc1ncccn1"	"YNUAEEJQYHYLMS-UHFFFAOYSA-N"	"InChI=1S/C21H16F3N3O3/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19/h1-9,12H,10-11,13H2"	""	""	""
"14376"	"elecoglipron"	""	"Synthetic organic"	""	""	""	""	"523352168"	"169644648"	""	""	""	""	""	""	""	"3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-7-[(4S)-2,2-dimethyloxan-4-yl]indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one"	"elecoglipron"	"AZD-5004|AZD5004|ECC5004"	"C[C@H]1C2=C(N(N=C2CCN1C(=O)C3=C(N4C=CC(=CC4=C3)[C@H]5CCOC(C5)(C)C)C6(CC6)C7=NOC(=O)N7)C8=CC(=C(C=C8)F)C9CC9)N%10C=CN(C%10=O)C%11=C(C%12=C(C=C%11)N(N=C%12)C)F"	"JMKBTILBGROESC-WNJJXGMVSA-N"	"InChI=1S/C48H46F2N10O5/c1-26-39-36(53-60(30-7-8-35(49)32(22-30)27-5-6-27)42(39)59-19-18-58(46(59)63)38-10-9-37-34(40(38)50)25-51-55(37)4)12-17-56(26)43(61)33-23-31-21-28(29-13-20-64-47(2,3)24-29)11-16-57(31)41(33)48(14-15-48)44-52-45(62)65-54-44/h7-11,16,18-19,21-23,25-27,29H,5-6,12-15,17,20,24H2,1-4H3,(H,52,54,62)/t26-,29-/m0/s1"	""	""	""
"2086"	"eledoisin"	""	"Peptide"	""	""	""	""	"135652147"	"10328936"	""	""	"CHEMBL373569"	""	""	""	""	"(3S)-3-[[(2S)-6-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid"	"eledoisin"	"ELD 950|ELD-950|eledone peptide"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCSC)CC(C)C)[C@H](CC)C)Cc1ccccc1)C)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)CO"	"AYLPVIWBPZMVSH-FCKMLYJASA-N"	"InChI=1S/C54H85N13O15S/c1-7-30(4)44(53(81)57-27-42(70)60-36(24-29(2)3)49(77)61-33(45(56)73)20-23-83-6)66-50(78)37(25-32-14-9-8-10-15-32)63-46(74)31(5)58-48(76)38(26-43(71)72)64-47(75)34(16-11-12-21-55)62-51(79)39(28-68)65-52(80)40-17-13-22-67(40)54(82)35-18-19-41(69)59-35/h8-10,14-15,29-31,33-40,44,68H,7,11-13,16-28,55H2,1-6H3,(H2,56,73)(H,57,81)(H,58,76)(H,59,69)(H,60,70)(H,61,77)(H,62,79)(H,63,74)(H,64,75)(H,65,80)(H,66,78)(H,71,72)/t30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,44-/m0/s1"	""	""	""
"9818"	"elenbecestat"	""	"Synthetic organic"	""	""	""	""	"354702290"	"57827330"	""	""	""	""	""	""	""	"N-[3-[(4aS,5R,7aS)-2-amino-5-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide"	"elenbecestat"	"E 2609|E-2609|E2609"	"C[C@H]1OC[C@]2([C@@H]1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)C(F)F"	"AACUJFVOHGRMTR-DPXNYUHVSA-N"	"InChI=1S/C19H18F3N5O2S/c1-9-12-7-30-18(23)27-19(12,8-29-9)11-4-10(2-3-13(11)20)26-17(28)15-6-24-14(5-25-15)16(21)22/h2-6,9,12,16H,7-8H2,1H3,(H2,23,27)(H,26,28)/t9-,12-,19-/m1/s1"	""	""	""
"12357"	"elenestinib"	""	"Synthetic organic"	""	""	""	""	"479821148"	"155190269"	""	""	""	""	""	""	""	"2-[4-[4-[4-[5-[(1S)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]ethanol"	"elenestinib"	"BLU-263|BLU263|exampl4 4 [WO2020210293A1]"	"C[C@](c1ccc(cc1)F)(c1cnc(nc1)N1CCN(CC1)c1ncnn2c1cc(c2)c1cn(nc1)CCO)N"	"IPMARPMXSFFZFG-MHZLTWQESA-N"	"InChI=1S/C27H29FN10O/c1-27(29,21-2-4-23(28)5-3-21)22-14-30-26(31-15-22)36-8-6-35(7-9-36)25-24-12-19(17-38(24)34-18-32-25)20-13-33-37(16-20)10-11-39/h2-5,12-18,39H,6-11,29H2,1H3/t27-/m0/s1"	"yes"	""	""
"40"	"eletriptan"	""	"Synthetic organic"	"yes"	""	""	""	"135650227"	"77993"	""	""	"CHEMBL1510"	""	""	""	""	"3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(2-phenylsulfonylethyl)-1H-indole"	"eletriptan"	"Relpax&reg;|UK 116044"	"CN1CCC[C@@H]1Cc1c[nH]c2c1cc(cc2)CCS(=O)(=O)c1ccccc1"	"PWVXXGRKLHYWKM-LJQANCHMSA-N"	"InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1"	""	""	""
"10552"	"elexacaftor"	""	"Synthetic organic"	"yes"	""	""	""	"404859000"	"134587348"	""	""	""	""	""	""	""	"N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide"	"elexacaftor"	"Compound 1 [WO2018107100A1]|VX-445"	"C[C@@H]1CN(C(C1)(C)C)c1nc(ccc1C(=O)NS(=O)(=O)c1cn(nc1C)C)n1ccc(n1)OCC(C(F)(F)F)(C)C"	"MVRHVFSOIWFBTE-INIZCTEOSA-N"	"InChI=1S/C26H34F3N7O4S/c1-16-12-25(5,6)35(13-16)22-18(23(37)33-41(38,39)19-14-34(7)31-17(19)2)8-9-20(30-22)36-11-10-21(32-36)40-15-24(3,4)26(27,28)29/h8-11,14,16H,12-13,15H2,1-7H3,(H,33,37)/t16-/m0/s1"	""	""	""
"9290"	"elezanumab"	""	"Antibody"	""	""	""	""	"318164809"	"0"	""	""	""	""	""	""	""	""	"elezanumab"	"ABT-555|AE12-1Y-QL"	""	""	""	"yes"	""	""
"8715"	"elgemtumab"	""	"Antibody"	""	""	""	""	"252827373"	"0"	""	""	""	""	""	""	""	""	"elgemtumab"	"LJM716|NVS201010"	""	""	""	""	""	""
"11969"	"eliapixant"	""	"Synthetic organic"	""	""	""	""	"464244110"	"121397587"	""	""	""	""	""	""	""	"3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-oxolan-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide"	"eliapixant"	"BAY-1817080|BAY1817080"	"Cc1cnc(s1)c1cc(cc(c1)O[C@@H]1CCOC1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F"	"GTQPEQGDLVSFJO-CXAGYDPISA-N"	"InChI=1S/C22H21F3N4O3S/c1-12-8-26-20(33-12)15-5-14(6-18(7-15)32-17-3-4-31-11-17)19(30)29-13(2)16-9-27-21(28-10-16)22(23,24)25/h5-10,13,17H,3-4,11H2,1-2H3,(H,29,30)/t13-,17-/m1/s1"	""	""	""
"7536"	"eliglustat"	""	"Synthetic organic"	"yes"	""	""	""	"187051837"	"23652731"	""	""	"CHEMBL2110588"	""	""	""	""	"N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]octanamide"	"eliglustat"	"GENZ-112638"	"CCCCCCCC(=O)N[C@@H]([C@@H](c1ccc2c(c1)OCCO2)O)CN1CCCC1"	"FJZZPCZKBUKGGU-AUSIDOKSSA-N"	"InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23-/m1/s1"	""	""	""
"10354"	"elimusertib"	""	"Synthetic organic"	""	""	""	""	"384403635"	"118869362"	""	""	""	""	""	""	""	"(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine"	"elimusertib"	"BAY-1895344|BAY1895344"	"C[C@@H]1COCCN1c1cc(c2ccnn2C)c2c(n1)c(ncc2)c1ccn[nH]1"	"YBXRSCXGRPSTMW-CYBMUJFWSA-N"	"InChI=1S/C20H21N7O/c1-13-12-28-10-9-27(13)18-11-15(17-5-8-23-26(17)2)14-3-6-21-20(19(14)24-18)16-4-7-22-25-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25)/t13-/m1/s1"	""	""	""
"12691"	"elinzanetant"	""	"Synthetic organic"	"yes"	""	""	""	"483123239"	"16063568"	""	""	"CHEMBL4802157"	""	""	""	""	"N-[6-[(7S,9aS)-7-(hydroxymethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide"	"elinzanetant"	"BAY-3427080|BAY3427080|Compound A [WO2021094247A1]|Example 34 [WO2007028654A1]|Lynkuet&reg;|NT-814|NT814"	"CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4C[C@H]5COCCN5C[C@H]4CO"	"DWRIJNIPBUFCQS-DQEYMECFSA-N"	"InChI=1S/C33H35F7N4O3/c1-19-9-23(34)5-6-26(19)27-13-29(44-16-25-18-47-8-7-43(25)15-24(44)17-45)41-14-28(27)42(4)30(46)31(2,3)20-10-21(32(35,36)37)12-22(11-20)33(38,39)40/h5-6,9-14,24-25,45H,7-8,15-18H2,1-4H3/t24-,25-/m0/s1"	""	""	""
"12622"	"elironrasib"	""	"Synthetic organic"	""	""	""	""	"479821412"	"167993669"	""	""	"CHEMBL5437500"	""	""	""	""	""	"elironrasib"	"RMC-6291|RMC6291"	"CCN1C2=C3C=C(C=C2)N4CCO[C@H](C4)C[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)C5(F)CCN(CC5)C(=O)C#CC(C)(C)N(C)C)C(=O)N6CCC[C@H](N6)C(=O)OCC(C)(C)CC3=C1C7=C(N=CC=C7)[C@H](C)OC"	"HJNFYLSFWYRSHS-JVFAQLKDSA-N"	"InChI=1S/C55H78FN9O8/c1-13-64-44-19-18-37-30-40(44)41(48(64)39-16-14-24-57-46(39)36(4)71-12)32-53(5,6)34-73-51(69)42-17-15-25-65(59-42)50(68)43(31-38-33-63(37)28-29-72-38)58-49(67)47(35(2)3)61(11)52(70)55(56)22-26-62(27-23-55)45(66)20-21-54(7,8)60(9)10/h14,16,18-19,24,30,35-36,38,42-43,47,59H,13,15,17,22-23,25-29,31-34H2,1-12H3,(H,58,67)/t36-,38-,42-,43+,47-/m0/s1"	""	""	""
"9774"	"elismetrep"	""	"Synthetic organic"	""	""	""	""	"354702247"	"66548125"	""	""	"CHEMBL3682589"	""	""	""	""	"4-[(4-cyclopropylisoquinolin-3-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoic acid"	"elismetrep"	"example 104 [WO2012124825]"	"OC(=O)c1ccc(cc1)S(=O)(=O)N(c1ncc2c(c1C1CC1)cccc2)Cc1ccc(cc1)OC(F)(F)F"	"CWEFDWIKLABKBX-UHFFFAOYSA-N"	"InChI=1S/C27H21F3N2O5S/c28-27(29,30)37-21-11-5-17(6-12-21)16-32(38(35,36)22-13-9-19(10-14-22)26(33)34)25-24(18-7-8-18)23-4-2-1-3-20(23)15-31-25/h1-6,9-15,18H,7-8,16H2,(H,33,34)"	""	""	""
"14482"	"elisrasib"	""	"Synthetic organic"	""	""	""	""	"528429803"	"167251905"	""	""	"CHEMBL5314913"	""	""	""	""	"2-[(2S)-4-[(7S)-7-[3-amino-2-fluoro-5-methyl-6-(trifluoromethyl)phenyl]-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile"	"elisrasib"	"D3S-001|D3S001"	"CC1=CC(=C(C(=C1C(F)(F)F)[C@@H]2CC3=C(CO2)C(=NC(=N3)OC[C@@]45CCCN4C[C@@H](C5)F)N6CCN([C@H](C6)CC#N)C(=O)C(=C)F)F)N"	"JOLORSRKBHXPFT-PNGHJTAWSA-N"	"InChI=1S/C32H35F6N7O3/c1-17-10-22(40)27(35)25(26(17)32(36,37)38)24-11-23-21(15-47-24)28(43-8-9-45(29(46)18(2)33)20(14-43)4-6-39)42-30(41-23)48-16-31-5-3-7-44(31)13-19(34)12-31/h10,19-20,24H,2-5,7-9,11-16,40H2,1H3/t19-,20+,24+,31+/m1/s1"	""	""	""
"13035"	"ellagic acid"	""	"Natural product"	""	""	""	""	"485206156"	"5281855"	""	""	"CHEMBL6246"	""	""	""	""	""	""	"benzoaric acid|eleagic acid"	"C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O"	"AFSDNFLWKVMVRB-UHFFFAOYSA-N"	"InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H"	""	""	""
"7337"	"ELND006"	""	"Synthetic organic"	""	""	""	""	"178103909"	"53308121"	""	""	"CHEMBL2396778"	""	""	""	""	"(4R)-4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethyl)benzenesulfonyl]-1H,4H,5H-pyrazolo[4,3-c]quinoline"	""	""	"Fc1cc2c3[nH]ncc3[C@H](N(c2cc1F)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C1CC1"	"XODSHWXKSMPDRP-LJQANCHMSA-N"	"InChI=1S/C20H14F5N3O2S/c21-15-7-13-17(8-16(15)22)28(19(10-1-2-10)14-9-26-27-18(13)14)31(29,30)12-5-3-11(4-6-12)20(23,24)25/h3-10,19H,1-2H2,(H,26,27)/t19-/m1/s1"	""	""	""
"9996"	"elobixibat"	""	"Synthetic organic"	"yes"	""	""	""	"374883883"	"9939892"	""	""	"CHEMBL3039515"	""	""	""	""	"2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydrobenzo[b][1,4]thiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid"	"elobixibat"	"2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1&lambda;<sup>6</sup>,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid|A3309|AJG533|AZD-7806|AZD7806|Goofice&reg;"	"CCCCC1(CCCC)CN(c2ccccc2)c2c(S(=O)(=O)C1)cc(c(c2)SC)OCC(=O)N[C@H](c1ccccc1)C(=O)NCC(=O)O"	"XFLQIRAKKLNXRQ-UUWRZZSWSA-N"	"InChI=1S/C36H45N3O7S2/c1-4-6-18-36(19-7-5-2)24-39(27-16-12-9-13-17-27)28-20-30(47-3)29(21-31(28)48(44,45)25-36)46-23-32(40)38-34(26-14-10-8-11-15-26)35(43)37-22-33(41)42/h8-17,20-21,34H,4-7,18-19,22-25H2,1-3H3,(H,37,43)(H,38,40)(H,41,42)/t34-/m1/s1"	""	""	""
"2785"	"elocalcitol"	""	"Synthetic organic"	""	""	""	""	"135650914"	"11396600"	""	""	""	""	""	""	""	"(1R,3Z,5S)-3-[(2E)-2-[(3aS,7aS)-1-[(E,2S)-6-ethyl-6-hydroxyoct-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidenecyclohexan-1-ol"	"elocalcitol"	"1&alpha;-fluoro-16-ene-20-epi-23-ene-26,27-bishomo-25-hydroxyvitamin D3|BXL 628|BXL628|Ro-26-9228"	"CCC(/C=C/C[C@@H](C1=CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)C[C@@H](C1=C)F)C)(CC)O"	"LRLWXBHFPGSUOX-GJQYOBCGSA-N"	"InChI=1S/C29H43FO2/c1-6-29(32,7-2)17-8-10-20(3)25-14-15-26-22(11-9-16-28(25,26)5)12-13-23-18-24(31)19-27(30)21(23)4/h8,12-14,17,20,24,26-27,31-32H,4,6-7,9-11,15-16,18-19H2,1-3,5H3/b17-8+,22-12+,23-13-/t20-,24+,26-,27-,28+/m0/s1"	""	""	""
"7392"	"elosulfase alfa"	""	"Peptide"	"yes"	""	""	""	"178103964"	"0"	""	""	""	""	""	""	""	""	"elosulfase alfa"	"BMN 110|rhGALNS|Vimizim&reg;"	""	""	""	""	""	""
"8361"	"elotuzumab"	""	"Antibody"	"yes"	""	""	""	"252166573"	"0"	""	""	""	""	""	""	""	""	"elotuzumab"	"BMS-901608|Empliciti&reg;|HuLuc63"	""	""	""	"yes"	""	""
"12323"	"elpipodect"	""	"Synthetic organic"	""	""	""	""	"479821114"	"71271414"	""	""	""	""	""	""	""	"2-methyl-6-[[(1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine"	"elpipodect"	"compound 18 [PMID:  36624931]|MK-8189|MK8189"	"c1nc([C@@H]2[C@@H](COc3cc(NCc4sc(C)nn4)nc(C)n3)C2)ccc1C"	"WQKPZDLZRFTMTI-CABCVRRESA-N"	"InChI=1S/C19H22N6OS/c1-11-4-5-16(20-8-11)15-6-14(15)10-26-18-7-17(22-12(2)23-18)21-9-19-25-24-13(3)27-19/h4-5,7-8,14-15H,6,9-10H2,1-3H3,(H,21,22,23)/t14-,15+/m1/s1"	""	""	""
"10021"	"ELQ-300"	""	"Synthetic organic"	""	""	""	""	"375973211"	"67016608"	""	""	"CHEMBL2431810"	""	""	""	""	"6-chloro-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinolin-4-one"	""	"ELQ300"	"COc1cc2[nH]c(C)c(c(=O)c2cc1Cl)c1ccc(cc1)Oc1ccc(cc1)OC(F)(F)F"	"WZDNKHCQIZRDKW-UHFFFAOYSA-N"	"InChI=1S/C24H17ClF3NO4/c1-13-22(23(30)18-11-19(25)21(31-2)12-20(18)29-13)14-3-5-15(6-4-14)32-16-7-9-17(10-8-16)33-24(26,27)28/h3-12H,1-2H3,(H,29,30)"	""	"yes"	""
"11412"	"elraglusib"	""	"Synthetic organic"	""	""	""	""	"440816781"	"44582816"	""	""	"CHEMBL483465"	""	""	""	""	"3-(5-fluoro-1-benzofuran-3-yl)-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione"	"elraglusib"	"9-ING-41|compound 26 [PMID: 19338355]"	"Fc1ccc2c(c1)c(co2)C1=C(C(=O)NC1=O)c1cn(c2c1cc1OCOc1c2)C"	"FARXPFGGGGLENU-UHFFFAOYSA-N"	"InChI=1S/C22H13FN2O5/c1-25-7-13(11-5-17-18(6-15(11)25)30-9-29-17)19-20(22(27)24-21(19)26)14-8-28-16-3-2-10(23)4-12(14)16/h2-8H,9H2,1H3,(H,24,26,27)"	""	""	""
"12889"	"elranatamab"	""	"Antibody"	"yes"	""	""	""	"485206010"	"0"	""	""	""	""	""	""	""	""	"elranatamab"	"elranatamab-bcmm|Elrexfio&reg;|PF-06863135|PF06863135"	""	""	""	"yes"	""	""
"11277"	"elrelesertib"	""	"Synthetic organic"	""	""	""	""	"434321712"	"126689157"	""	""	""	""	""	""	""	"7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)pyridin-3-yl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one"	"elrelesertib"	"AZD-1390|AZD1390"	"Fc1cc2ncc3c(c2cc1c1ccc(nc1)OCCCN1CCCCC1)n(C(C)C)c(=O)n3C"	"VQSZIPCGAGVRRP-UHFFFAOYSA-N"	"InChI=1S/C27H32FN5O2/c1-18(2)33-26-21-14-20(22(28)15-23(21)29-17-24(26)31(3)27(33)34)19-8-9-25(30-16-19)35-13-7-12-32-10-5-4-6-11-32/h8-9,14-18H,4-7,10-13H2,1-3H3"	""	""	""
"10464"	"elsubrutinib"	""	"Synthetic organic"	""	""	""	""	"385612224"	"117773770"	""	""	""	""	""	""	""	"4-[(3S)-1-prop-2-enoylpiperidin-3-yl]-1H-indole-7-carboxamide"	"elsubrutinib"	"example #30 (S) [WO2014210255A1]"	"C=CC(=O)N1CCC[C@H](C1)c1ccc(c2c1cc[nH]2)C(=O)N"	"UNHZLHSLZZWMNP-LLVKDONJSA-N"	"InChI=1S/C17H19N3O2/c1-2-15(21)20-9-3-4-11(10-20)12-5-6-14(17(18)22)16-13(12)7-8-19-16/h2,5-8,11,19H,1,3-4,9-10H2,(H2,18,22)/t11-/m1/s1"	"yes"	""	""
"14130"	"elsunersen"	""	"Nucleic acid"	""	""	""	""	"518520757"	"0"	""	""	""	""	""	""	""	""	"elsunersen"	"PRAX-222|PRAX222"	""	""	""	""	""	""
"10037"	"eltanexor"	""	"Synthetic organic"	""	""	""	""	"375973225"	"86345880"	""	""	""	""	""	""	""	"(E)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-pyrimidin-5-ylprop-2-enamide"	"eltanexor"	"KPT-8602|KPT8602"	"NC(=O)/C(=C/n1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/c1cncnc1"	"JFBAVWVBLRIWHM-AWNIVKPZSA-N"	"InChI=1S/C17H10F6N6O/c18-16(19,20)11-1-9(2-12(3-11)17(21,22)23)15-27-8-29(28-15)6-13(14(24)30)10-4-25-7-26-5-10/h1-8H,(H2,24,30)/b13-6+"	""	""	""
"11534"	"eltanolone"	""	"Metabolite"	""	""	""	""	"441604906"	"31402"	""	""	""	""	""	""	""	"1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone"	"eltanolone"	"3&alpha;,5&beta;-tetrahydroprogesterone|3&alpha;,5&beta;-THP|3&alpha;-hydroxy-5&beta;-pregnan-20-one|Pregnan-3alpha-ol-20-one|pregnanolone"	"O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C"	"AURFZBICLPNKBZ-YZRLXODZSA-N"	"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1"	""	""	""
"13004"	"elticertinib"	""	"Synthetic organic"	""	""	""	""	"485206125"	"163224105"	""	""	""	""	""	""	""	"3-(3-chloro-2-methoxyanilino)-2-[3-[2-[(2R)-1-[(E)-4-(dimethylamino)but-2-enoyl]-2-methylpyrrolidin-2-yl]ethynyl]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one"	"elticertinib"	"STX-721|STX721"	"C[C@@]1(CCCN1C(=O)/C=C/CN(C)C)C#CC2=C(C=CN=C2)C3=C(C4=C(CCNC4=O)N3)NC5=CC=CC(=C5OC)Cl"	"UMSJPISUMQOUKS-LMZGTLAXSA-N"	"InChI=1S/C32H35ClN6O3/c1-32(14-7-19-39(32)26(40)10-6-18-38(2)3)15-11-21-20-34-16-12-22(21)28-29(27-24(36-28)13-17-35-31(27)41)37-25-9-5-8-23(33)30(25)42-4/h5-6,8-10,12,16,20,36-37H,7,13-14,17-19H2,1-4H3,(H,35,41)/b10-6+/t32-/m1/s1"	""	""	""
"6961"	"eltrombopag"	""	"Synthetic organic"	"yes"	""	""	""	"178103542"	"135449332"	""	""	"CHEMBL461101"	""	""	""	""	"3-(3-{2-[(4Z)-1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}-2-hydroxyphenyl)benzoic acid"	"eltrombopag"	"AMG531|Promacta&reg;|Revolade&reg;|SB-497115-GR"	"OC(=O)c1cccc(c1)c1cccc(c1O)N/N=C\1/C(=NN(C1=O)c1ccc(c(c1)C)C)C"	"XDXWLKQMMKQXPV-QYQHSDTDSA-N"	"InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,26,30H,1-3H3,(H,32,33)/b27-22-"	""	""	""
"8499"	"elubirixin"	""	"Synthetic organic"	""	""	""	""	"252166707"	"10479502"	""	""	"CHEMBL2178579"	""	""	""	""	"3-(2-chloro-3-fluorophenyl)-1-(4-chloro-2-hydroxy-3-piperazin-1-ylsulfonylphenyl)urea"	"elubrixin"	"SB 656933|SB-656933|SB656933"	"O=C(Nc1cccc(c1Cl)F)Nc1ccc(c(c1O)S(=O)(=O)N1CCNCC1)Cl"	"YQYFEGTYCUQBEI-UHFFFAOYSA-N"	"InChI=1S/C17H17Cl2FN4O4S/c18-10-4-5-13(23-17(26)22-12-3-1-2-11(20)14(12)19)15(25)16(10)29(27,28)24-8-6-21-7-9-24/h1-5,21,25H,6-9H2,(H2,22,23,26)"	"yes"	""	""
"12973"	"elunetirom"	""	"Synthetic organic"	""	""	""	""	"485206094"	"132160637"	""	""	""	""	""	""	""	"2-[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-methylacetamide"	"elunetirom"	"ABX-002|ABX002|compound 1 [WO2022236133A1]|MA-JD-21|MA-JD21"	"CC(C)C1=C(C=CC(=C1)CC2=C(C=C(C=C2Cl)OCC(=O)NC)Cl)O"	"CQELSEDWYWTMDG-UHFFFAOYSA-N"	"InChI=1S/C19H21Cl2NO3/c1-11(2)14-6-12(4-5-18(14)23)7-15-16(20)8-13(9-17(15)21)25-10-19(24)22-3/h4-6,8-9,11,23H,7,10H2,1-3H3,(H,22,24)"	""	""	""
"11667"	"elunonavir"	""	"Synthetic organic"	""	""	""	""	"442878693"	"135301900"	""	""	""	""	""	""	""	"methyl N-[(2S)-1-[2-[[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]methyl]-2-[(2S,3S)-2-hydroxy-4-[4-[2-[2-[8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyrimidin-5-yl]ethynyl]phenyl]-3-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]butyl]hydrazinyl]-4,4,4-trifluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate"	"elunonavir"	""	"CC(C)([C@@H](C(=O)N[C@@H](Cc1ccc(cc1)C#Cc1cnc(nc1)N1CC2CCC(C1)N2C1COC1)[C@H](CN(Cc1c(cc(cc1F)c1nn(cc1)C(F)F)F)NC(=O)[C@H](C(C)(C)C(F)(F)F)NC(=O)OC)O)NC(=O)OC)C(F)(F)F"	"ZTSLYWLHCOINNI-FTEFBJIISA-N"	"InChI=1S/C52H59F10N11O8/c1-49(2,51(57,58)59)41(66-47(77)79-5)43(75)65-39(17-29-10-7-28(8-11-29)9-12-30-20-63-46(64-21-30)70-22-32-13-14-33(23-70)73(32)34-26-81-27-34)40(74)25-71(69-44(76)42(67-48(78)80-6)50(3,4)52(60,61)62)24-35-36(53)18-31(19-37(35)54)38-15-16-72(68-38)45(55)56/h7-8,10-11,15-16,18-21,32-34,39-42,45,74H,13-14,17,22-27H2,1-6H3,(H,65,75)(H,66,77)(H,67,78)(H,69,76)/t32?,33?,39-,40-,41+,42+/m0/s1"	""	""	""
"7691"	"eluxadoline"	""	"Synthetic organic"	"yes"	""	""	""	"223366025"	"11250029"	""	""	"CHEMBL2159122"	""	""	""	""	"5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(4-phenyl-3H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid"	"eluxadoline"	"JNJ-27018966|Truberzi&reg;"	"COc1ccc(cc1C(=O)O)CN([C@H](c1ncc([nH]1)c1ccccc1)C)C(=O)[C@H](Cc1c(C)cc(cc1C)C(=O)N)N"	"QFNHIDANIVGXPE-FNZWTVRRSA-N"	"InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1"	""	""	""
"11574"	"elvitegravir"	""	"Synthetic organic"	"yes"	""	""	""	"441604946"	"5277135"	""	""	"CHEMBL204656"	""	""	""	""	""	"elvitegravir"	"compound 2 [PMID: 18281931]|EVG|GS-9137|GS9137|JTK-303|JTK303|Vitekta&reg;"	"OC[C@@H](n1cc(C(=O)O)c(=O)c2c1cc(OC)c(c2)Cc1cccc(c1F)Cl)C(C)C"	"JUZYLCPPVHEVSV-LJQANCHMSA-N"	"InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1"	""	""	""
"10944"	"ELX-02"	""	"Synthetic organic"	""	""	""	""	"405560385"	"71461382"	""	""	"CHEMBL2220482"	""	""	""	""	"(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-5-[(1S)-1-aminoethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol"	"exaluren"	"CS-0095334|ELX-02 (disulfate)|HY-114231B"	"N[C@H]1C[C@@H](N)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H]([C@H](O)C)[C@H]([C@@H]([C@H]1N)O)O)O[C@@H]1O[C@@H]([C@H]([C@H]1O)O)[C@@H](N)C)O"	"KJBRSTPUILEBDR-DBMIJKFDSA-N"	"InChI=1S/C19H38N4O10/c1-4(20)14-12(28)13(29)19(30-14)33-17-9(25)6(21)3-7(22)16(17)32-18-8(23)10(26)11(27)15(31-18)5(2)24/h4-19,24-29H,3,20-23H2,1-2H3/t4-,5+,6+,7-,8+,9-,10+,11-,12-,13+,14+,15+,16+,17+,18+,19-/m0/s1"	""	""	""
"11869"	"elzovantinib"	""	"Synthetic organic"	""	""	""	""	"461663425"	"137455315"	""	""	""	""	""	""	""	""	"elzovantinib"	"compound 5 [WO2019023417A1]|CSF1R-IN-2|TPX-0022|TPX002"	"CCN1Cc2c(ccc(c2C#N)F)O[C@H](CNC(=O)c2c3nc1ccn3nc2N)C"	"UUDPUQDMSHQSKH-NSHDSACASA-N"	"InChI=1S/C20H20FN7O2/c1-3-27-10-13-12(8-22)14(21)4-5-15(13)30-11(2)9-24-20(29)17-18(23)26-28-7-6-16(27)25-19(17)28/h4-7,11H,3,9-10H2,1-2H3,(H2,23,26)(H,24,29)/t11-/m0/s1"	""	""	""
"13979"	"EM127"	""	"Synthetic organic"	""	""	""	""	"518520606"	"118949515"	""	""	"CHEMBL5439323"	""	""	""	""	"N-[1-(2-chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide"	""	"compound 11C [PMID: 36116234]|EM-127"	"C1CC1C2=CC(=NO2)C(=O)NC3CCN(CC3)C(=O)CCl"	"OENTXAYVUCLRJQ-UHFFFAOYSA-N"	"InChI=1S/C14H18ClN3O3/c15-8-13(19)18-5-3-10(4-6-18)16-14(20)11-7-12(21-17-11)9-1-2-9/h7,9-10H,1-6,8H2,(H,16,20)"	""	""	""
"1445"	"EM-523"	""	"Synthetic organic"	""	""	""	""	"135652681"	"184178"	""	""	""	""	""	""	""	"(1S,2R,3S,4S,5R,8R,9S,10R,11R)-8-ethyl-2-[(2S,3R,4S,6R)-4-(ethyl-methylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9,10-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one"	""	"<i>N</i>-ethyl,<i>N</i>-methyl EM-A enolether|erythromycin analogue (523)"	"CCN([C@H]1C[C@@H](C)O[C@H]([C@@H]1O)O[C@@H]1[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@@H](C)C(=O)O[C@@H]([C@@]([C@@H]([C@H](C2=C(C[C@]1(C)O2)C)C)O)(C)O)CC)C"	"UTTLXGDLSXWDJI-OTELOYJSSA-N"	"InChI=1S/C38H67NO12/c1-14-26-38(11,44)31(41)21(5)29-19(3)17-37(10,51-29)33(50-35-28(40)25(39(12)15-2)16-20(4)46-35)22(6)30(23(7)34(43)48-26)49-27-18-36(9,45-13)32(42)24(8)47-27/h20-28,30-33,35,40-42,44H,14-18H2,1-13H3/t20-,21+,22+,23-,24+,25+,26-,27+,28-,30+,31-,32+,33-,35+,36-,37+,38-/m1/s1"	""	""	""
"8944"	"emactuzumab"	""	"Antibody"	""	""	""	""	"310264725"	"0"	""	""	""	""	""	""	""	""	"emactuzumab"	"RG7155|RO5509554"	""	""	""	"yes"	""	""
"9295"	"emapalumab"	""	"Antibody"	"yes"	""	""	""	"318164814"	"0"	""	""	""	""	""	""	""	""	"emapalumab"	"emapalumab-lzsg|Gamifant&reg;|NI-0501|NI0501"	""	""	""	"yes"	""	""
"8704"	"emapunil"	""	"Synthetic organic"	""	""	""	""	"252166904"	"6433109"	""	""	"CHEMBL513922"	""	""	""	""	"N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(phenylmethyl)acetamide"	"emapunil"	"AC-5216|XBD-173|XBD173"	"CCN(C(=O)Cn1c2nc(ncc2n(c1=O)C)c1ccccc1)Cc1ccccc1"	"NBMBIEOUVBHEBM-UHFFFAOYSA-N"	"InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3"	""	""	""
"10152"	"emavusertib"	""	"Synthetic organic"	""	""	""	""	"381118862"	"118224491"	""	""	""	""	""	""	""	""	"emavusertib"	"AU-4948|AU4948|CA4948|compound 24 [PMID: 33335659]"	"O[C@@H]1CCN(C1)c1nc2nc(oc2cc1NC(=O)c1coc(n1)c1ccnc(c1)C)N1CCOCC1"	"SJHNWSAWWOAWJH-MRXNPFEDSA-N"	"InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1"	"yes"	""	""
"11209"	"Embelin"	""	"Natural product"	""	""	""	""	"434122269"	"3218"	""	""	""	""	""	""	""	"2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione"	""	""	"CCCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)O"	"IRSFLDGTOHBADP-UHFFFAOYSA-N"	"InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3"	""	""	""
"14354"	"embibatinib"	""	"Synthetic organic"	""	""	""	""	"523352146"	"146458745"	""	""	"CHEMBL5873023"	""	""	""	""	"N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide"	"embibatinib"	"example 5 [US10889571B2]|HS-10382|TERN-701"	"C[C@H](CO)N1C2=C(C=C(C=C2N=C1C(F)F)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C4=CN=CN=C4"	"MTFOIMMCUOJPHL-GFCCVEGCSA-N"	"InChI=1S/C23H18ClF4N5O3/c1-12(10-34)33-19-17(14-8-29-11-30-9-14)6-13(7-18(19)32-21(33)20(25)26)22(35)31-15-2-4-16(5-3-15)36-23(24,27)28/h2-9,11-12,20,34H,10H2,1H3,(H,31,35)/t12-/m1/s1"	""	""	""
"14610"	"embricitinib"	""	"Synthetic organic"	""	""	""	""	"530846858"	"155032792"	""	""	""	""	""	""	""	"4-[[(3S)-3-(2,2-difluoroethylcarbamoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide"	"embricitinib"	"Example 2 [WO2020156271]"	"C1C[C@@H](CN(C1)NC2=C3C=CNC3=NC=C2C(=O)N)C(=O)NCC(F)F"	"WOWPHKPPVWFLPO-VIFPVBQESA-N"	"InChI=1S/C16H20F2N6O2/c17-12(18)7-22-16(26)9-2-1-5-24(8-9)23-13-10-3-4-20-15(10)21-6-11(13)14(19)25/h3-4,6,9,12H,1-2,5,7-8H2,(H2,19,25)(H,22,26)(H2,20,21,23)/t9-/m0/s1"	"yes"	""	""
"8428"	"EMD-386088"	""	"Synthetic organic"	""	""	""	""	"252166638"	"10131112"	""	""	"CHEMBL364005"	""	""	""	""	"5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole"	""	"compound 18 [PMID 16055331]|EMD 386088|EMD386088"	"Clc1ccc2c(c1)c(C1=CCNCC1)c([nH]2)C"	"BPPGPYJBCVXILI-UHFFFAOYSA-N"	"InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3"	""	""	""
"9407"	"EMD638683"	""	"Synthetic organic"	""	""	""	""	"328083509"	"44182398"	""	""	""	""	""	""	""	"N'-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide"	""	""	"CCc1c(ccc(c1C)O)C(=O)NNC(=O)C(c1cc(F)cc(c1)F)O"	"SSNAPUUWBPZGOY-UHFFFAOYSA-N"	"InChI=1S/C18H18F2N2O4/c1-3-13-9(2)15(23)5-4-14(13)17(25)21-22-18(26)16(24)10-6-11(19)8-12(20)7-10/h4-8,16,23-24H,3H2,1-2H3,(H,21,25)(H,22,26)"	""	""	""
"12"	"EMDT"	""	"Synthetic organic"	""	""	""	""	"135650228"	"6918513"	""	""	"CHEMBL267615"	""	""	""	""	"2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine"	""	""	"CCc1[nH]c2c(c1CCN(C)C)cc(cc2)OC"	"ZEYRDXUWJDGTLD-UHFFFAOYSA-N"	"InChI=1S/C15H22N2O/c1-5-14-12(8-9-17(2)3)13-10-11(18-4)6-7-15(13)16-14/h6-7,10,16H,5,8-9H2,1-4H3"	""	""	""
"7174"	"emedastine"	""	"Synthetic organic"	"yes"	""	""	""	"178103749"	"3219"	""	""	"CHEMBL594"	""	""	""	""	"1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-1,3-benzodiazole"	"emedastine"	"AL-3432A|Emadine&reg;"	"CCOCCn1c(nc2c1cccc2)N1CCCN(CC1)C"	"KBUZBQVCBVDWKX-UHFFFAOYSA-N"	"InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3"	""	""	""
"11087"	"emetine"	""	"Natural product"	""	""	""	""	"434122148"	"10219"	""	""	"CHEMBL50588"	""	""	""	""	"(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine"	""	""	"CC[C@H]1CN2CCc3c([C@@H]2C[C@@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC"	"AUVVAXYIELKVAI-CKBKHPSWSA-N"	"InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1"	""	""	""
"12177"	"emfizatamab"	""	"Antibody"	""	""	""	""	"472319299"	"0"	""	""	""	""	""	""	""	""	"emfizatamab"	"GNC 038|GNC-038|GNC038"	""	""	""	""	""	""
"7748"	"emibetuzumab"	""	"Antibody"	""	""	""	""	"223366081"	"0"	""	""	""	""	""	""	""	""	"emibetuzumab"	"LA480|LY-2875358|LY2875358"	""	""	""	""	""	""
"9744"	"emicizumab"	""	"Antibody"	"yes"	""	""	""	"354702217"	"0"	""	""	""	""	""	""	""	""	"emicizumab"	"ACE-910|ACE910|emicizumab-kxwh|Hemlibra&reg;|RG6013"	""	""	""	""	""	""
"13617"	"emilumenib"	""	"Synthetic organic"	""	""	""	""	"504705436"	"146636100"	""	""	"CHEMBL5314517"	""	""	""	""	"(1R,2S,4R)-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol"	"emilumenib"	"DS-1594a|DS-1594b"	"CN([C@H]1C[C@H](C[C@H]1O)NCC2=CC=C(C=C2)C3=NN=C(C(=C3)OC)OC)C4=C5C=C(SC5=NC=N4)CC(F)(F)F"	"FFHYBSANKGPTCW-VOQZNFBZSA-N"	"InChI=1S/C27H29F3N6O3S/c1-36(24-19-10-18(12-27(28,29)30)40-26(19)33-14-32-24)21-8-17(9-22(21)37)31-13-15-4-6-16(7-5-15)20-11-23(38-2)25(39-3)35-34-20/h4-7,10-11,14,17,21-22,31,37H,8-9,12-13H2,1-3H3/t17-,21+,22-/m1/s1"	""	""	""
"12172"	"emlenoflast"	""	"Synthetic organic"	""	""	""	""	"472319294"	"122480653"	""	""	"CHEMBL4650350"	""	""	""	""	"1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea"	"emlenoflast"	"Inzomelid|MCC-7840|MCC7840"	"CC(C)n1ccc(n1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2c1CCC2"	"MTOUOUSKXWSTAX-UHFFFAOYSA-N"	"InChI=1S/C19H24N4O3S/c1-12(2)23-10-9-17(21-23)27(25,26)22-19(24)20-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h9-12H,3-8H2,1-2H3,(H2,20,22,24)"	"yes"	""	""
"4037"	"EMPA"	""	"Synthetic organic"	""	""	""	""	"135650708"	"9981404"	""	""	"CHEMBL2385132"	""	""	""	""	"N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide"	""	""	"COc1ccc(cn1)N(S(=O)(=O)c1ccccc1C)CC(=O)N(Cc1cccnc1)CC"	"KJPHTXTWFHVJIG-UHFFFAOYSA-N"	"InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3"	""	""	""
"4754"	"empagliflozin"	""	"Synthetic organic"	"yes"	""	""	""	"178101464"	"11949646"	""	""	"CHEMBL2107830"	""	""	""	""	"(2S,3R,4R,5S,6R)-2-[4-chloro-3-({4-[(3S)-oxolan-3-yloxy]phenyl}methyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol"	"empagliflozin"	"BI 10773|Jardiance&reg;"	"OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc(cc2)O[C@@H]2COCC2)Cl)[C@@H]([C@H]([C@@H]1O)O)O"	"OBWASQILIWPZMG-QZMOQZSNSA-N"	"InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1"	""	""	""
"9427"	"empesertib"	""	"Synthetic organic"	""	""	""	""	"328083527"	"71599640"	""	""	""	""	""	""	""	"(2R)-2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-methylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide"	"empesertib"	"BAY-1161909|BAY1161909|Mps1-IN-5"	"COc1cc(ccc1Nc1nc2n(n1)cc(cc2)c1ccc(cc1)NC(=O)[C@@H](c1ccc(cc1)F)C)S(=O)(=O)C"	"NRJKIOCCERLIDG-GOSISDBHSA-N"	"InChI=1S/C29H26FN5O4S/c1-18(19-4-9-22(30)10-5-19)28(36)31-23-11-6-20(7-12-23)21-8-15-27-33-29(34-35(27)17-21)32-25-14-13-24(40(3,37)38)16-26(25)39-2/h4-18H,1-3H3,(H,31,36)(H,32,34)/t18-/m1/s1"	""	""	""
"13626"	"emraclidine"	""	"Synthetic organic"	""	""	""	""	"504705445"	"140830653"	""	""	"CHEMBL5314557"	""	""	""	""	"1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-[2-(trifluoromethyl)pyridin-4-yl]azetidin-3-yl]ethanone"	"emraclidine"	"compound 21 [PMID: 38888621]|CVL-231|CVL231|PF-06852231|PF06885190"	"CC1=CC(=NC2=C1CN(C2)C(=O)CC3CN(C3)C4=CC(=NC=C4)C(F)(F)F)C"	"DTCZNKWBDTXEBS-UHFFFAOYSA-N"	"InChI=1S/C20H21F3N4O/c1-12-5-13(2)25-17-11-27(10-16(12)17)19(28)6-14-8-26(9-14)15-3-4-24-18(7-15)20(21,22)23/h3-5,7,14H,6,8-11H2,1-2H3"	""	""	""
"6508"	"emricasan"	""	"Synthetic organic"	""	""	""	""	"178103122"	"12000240"	""	""	"CHEMBL197672"	""	""	""	""	"(3S)-3-[[(2S)-2-[[2-[(2-tert-butylphenyl)amino]-2-oxoacetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid"	"emricasan"	"IDN-6556|PF-03491390"	"OC(=O)C[C@@H](C(=O)COc1c(F)c(F)cc(c1F)F)NC(=O)[C@@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C"	"SCVHJVCATBPIHN-SJCJKPOMSA-N"	"InChI=1S/C26H27F4N3O7/c1-12(31-24(38)25(39)32-16-8-6-5-7-13(16)26(2,3)4)23(37)33-17(10-19(35)36)18(34)11-40-22-20(29)14(27)9-15(28)21(22)30/h5-9,12,17H,10-11H2,1-4H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t12-,17-/m0/s1"	""	""	""
"3363"	"EM-TBPC"	""	"Synthetic organic"	""	""	""	""	"178100388"	"9904703"	""	""	""	""	""	""	""	"1-ethyl-2-methyl-6-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)-1,6-dihydropyrimidine-5-carbonitrile"	""	""	"CCn1c(C)nc(c(c1=O)C#N)N1CCc2c(CC1)cccc2"	"QNUVWRAGDSGAKX-UHFFFAOYSA-N"	"InChI=1S/C18H20N4O/c1-3-22-13(2)20-17(16(12-19)18(22)23)21-10-8-14-6-4-5-7-15(14)9-11-21/h4-7H,3,8-11H2,1-2H3"	""	""	""
"11244"	"emtricitabine"	""	"Synthetic organic"	"yes"	""	""	""	"434122304"	"60877"	""	""	"CHEMBL885"	""	""	""	""	"4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one"	"emtricitabine"	"524W91|BW-524W91|Coviracil&reg;|Emtriva&reg;|FTC"	"Nc1nc(=O)n(cc1F)[C@@H]1CS[C@@H](O1)CO"	"XQSPYNMVSIKCOC-NTSWFWBYSA-N"	"InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1"	""	""	""
"13742"	"emupertinib"	""	"Synthetic organic"	""	""	""	""	"507750375"	"154680842"	""	""	""	""	""	""	""	"N-[4-(4-amino-6-ethynyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-1-bicyclo[2.2.1]heptanyl]-5-methylpyrazine-2-carboxamide"	"emupertinib"	"example 37 [WO2020166680A1]"	"CC1=CN=C(C=N1)C(=O)NC23CCC(C2)(CC3)N4C(=C(C5=C(N=CN=C54)N)C6=CC7=CC=CC=C7N=C6)C#C"	"NKRUHCMBVJSNAB-UHFFFAOYSA-N"	"InChI=1S/C30H26N8O/c1-3-23-24(20-12-19-6-4-5-7-21(19)34-14-20)25-26(31)35-17-36-27(25)38(23)30-10-8-29(16-30,9-11-30)37-28(39)22-15-32-18(2)13-33-22/h1,4-7,12-15,17H,8-11,16H2,2H3,(H,37,39)(H2,31,35,36)"	""	""	""
"14189"	"emvistegrast"	""	"Synthetic organic"	""	""	""	""	"518520816"	"146614402"	""	""	""	""	""	""	""	"ethyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoate"	"emvistegrast"	"example 356 [WO2020092375]|GS-1427|GS1427"	"CCOC(=O)[C@H](CC1=CC=C(N2C(=O)N(C)C3=C(C=CN=C3)C2=O)C4=C1C=CC=N4)NC(=O)C5=C(C)C=C(C=C5F)N6CCOC[C@@H]6C(F)(F)F"	"UQXAGOKYXPMBEP-LBNVMWSVSA-N"	"InChI=1S/C35H32F4N6O6/c1-4-51-33(48)25(42-31(46)29-19(2)14-21(16-24(29)36)44-12-13-50-18-28(44)35(37,38)39)15-20-7-8-26(30-22(20)6-5-10-41-30)45-32(47)23-9-11-40-17-27(23)43(3)34(45)49/h5-11,14,16-17,25,28H,4,12-13,15,18H2,1-3H3,(H,42,46)/t25-,28+/m0/s1"	""	""	""
"11421"	"emvododstat"	""	"Synthetic organic"	""	""	""	""	"440816790"	"49787172"	""	""	""	""	""	""	""	"(4-chlorophenyl) (1S)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate"	"emvododstat"	"PTC-299|PTC299"	"COc1ccc(cc1)[C@@H]1N(CCc2c1[nH]c1c2cc(cc1)Cl)C(=O)Oc1ccc(cc1)Cl"	"SRSHBZRURUNOSM-DEOSSOPVSA-N"	"InChI=1S/C25H20Cl2N2O3/c1-31-18-7-2-15(3-8-18)24-23-20(21-14-17(27)6-11-22(21)28-23)12-13-29(24)25(30)32-19-9-4-16(26)5-10-19/h2-11,14,24,28H,12-13H2,1H3/t24-/m0/s1"	""	""	""
"12377"	"emzeltrectinib"	""	"Synthetic organic"	""	""	""	""	"479821168"	"134480550"	""	""	""	""	""	""	""	"2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide"	"emzeltrectinib"	"example 36 [WO2018077246A1]"	"C1[C@@H](CN([C@H]1c1c(ccc(c1)F)F)c1nc2c(c(nn2cc1)N)C(=O)N)F"	"YFTARXQOKASKBW-JOYOIKCWSA-N"	"InChI=1S/C17H15F3N6O/c18-8-1-2-11(20)10(5-8)12-6-9(19)7-25(12)13-3-4-26-17(23-13)14(16(22)27)15(21)24-26/h1-5,9,12H,6-7H2,(H2,21,24)(H2,22,27)/t9-,12+/m0/s1"	""	""	""
"12636"	"EN450"	""	"Synthetic organic"	""	""	""	""	"479821426"	"4877041"	""	""	""	""	""	""	""	"N-[2-chloro-5-(dimethylsulfamoyl)phenyl]prop-2-enamide"	""	"EN-450"	"CN(C)S(=O)(=O)C1=CC=C(Cl)C(NC(=O)C=C)=C1"	"OXFXDOLAQBMOPH-UHFFFAOYSA-N"	"InChI=1S/C11H13ClN2O3S/c1-4-11(15)13-10-7-8(5-6-9(10)12)18(16,17)14(2)3/h4-7H,1H2,2-3H3,(H,13,15)"	""	""	""
"14445"	"EN523"	""	"Synthetic organic"	""	""	""	""	"528429766"	"126817009"	""	""	""	""	""	""	""	"1-(5-methylfuran-2-yl)-4-prop-2-enoylpiperazin-2-one"	""	"EN-523"	"CC1=CC=C(O1)N2CCN(CC2=O)C(=O)C=C"	"KYXPDOMFYBFXKO-UHFFFAOYSA-N"	"InChI=1S/C12H14N2O3/c1-3-10(15)13-6-7-14(11(16)8-13)12-5-4-9(2)17-12/h3-5H,1,6-8H2,2H3"	""	""	""
"12637"	"EN67"	""	"Synthetic organic"	""	""	""	""	"479821427"	"132362390"	""	""	""	""	""	""	""	"N-[[3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-enamide"	""	"EN-67"	"COC1=CC=C(C=C1F)C2=NOC(CNC(=O)C=C)C2"	"YHMCRSNQSHQSSZ-UHFFFAOYSA-N"	"InChI=1S/C14H15FN2O3/c1-3-14(18)16-8-10-7-12(17-20-10)9-4-5-13(19-2)11(15)6-9/h3-6,10H,1,7-8H2,2H3,(H,16,18)"	""	""	""
"1646"	"enadoline"	""	"Synthetic organic"	""	""	""	""	"135650230"	"60768"	""	""	"CHEMBL318859"	""	""	""	""	"2-(1-benzofuran-4-yl)-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide"	"enadoline"	"CI 977|CI-977|CI977"	"O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1cccc2c1cco2"	"JMBYBVLCYODBJQ-HFMPRLQTSA-N"	"InChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3/t20-,21-,24-/m0/s1"	""	""	""
"6322"	"enalapril"	""	"Synthetic organic"	"yes"	""	""	""	"178102940"	"5388962"	""	""	"CHEMBL578"	""	""	""	""	"(2S)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]pyrrolidine-2-carboxylic acid"	"enalapril"	"Enaladex&reg;|Vasotec&reg;"	"CCOC(=O)[C@@H](N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)CCc1ccccc1"	"GBXSMTUPTTWBMN-XIRDDKMYSA-N"	"InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1"	""	""	""
"6332"	"enalaprilat"	""	"Synthetic organic"	"yes"	""	""	""	"178102950"	"5462501"	""	""	"CHEMBL577"	""	""	""	""	"(2S)-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid"	"enalaprilat"	"MK-422"	"OC(=O)[C@@H](N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)CCc1ccccc1"	"LZFZMUMEGBBDTC-QEJZJMRPSA-N"	"InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1"	""	""	""
"1834"	"enantio PAF C-16"	""	"Synthetic organic"	""	""	""	""	"135650231"	"2499"	""	""	"CHEMBL17935"	""	""	""	""	"(2-acetyloxy-3-hexadecoxypropyl) 2-trimethylazaniumylethyl phosphate"	""	"enantio platelet-activating factor C-16"	"CCCCCCCCCCCCCCCCOCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-]"	"HVAUUPRFYPCOCA-UHFFFAOYSA-N"	"InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3"	""	""	""
"11828"	"enarodustat"	""	"Synthetic organic"	"yes"	""	""	""	"461663384"	"50899324"	""	""	"CHEMBL4297619"	""	""	""	""	""	"enarodustat"	"compound 14 [PMID: 29259755]|Enaroy&reg;|JTZ-951|JTZ951"	"c1ccc(cc1)CCc1cc(=O)c(c2n1[nH]cn2)C(=O)NCC(=O)O"	"FJYRBJKWDXVHHO-UHFFFAOYSA-N"	"InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10H,6-7,9H2,(H,18,25)(H,19,20)(H,23,24)"	""	""	""
"8960"	"enasidenib"	""	"Synthetic organic"	"yes"	""	""	""	"310264741"	"89683805"	""	""	""	""	""	""	""	"2-methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol"	"enasidenib"	"AG-221|CC-90007|Idhifa&reg;"	"CC(CNc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)c1cccc(n1)C(F)(F)F)(O)C"	"DYLUUSLLRIQKOE-UHFFFAOYSA-N"	"InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)"	""	""	""
"11905"	"enavogliflozin"	""	"Synthetic organic"	"yes"	""	""	""	"461663460"	"71076840"	""	""	"CHEMBL3703921"	""	""	""	""	"(2S,3R,4R,5S,6R)-2-[7-chloro-6-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol"	"enavogliflozin"	"compound 14g [PMID:  34813882]|DWP-16001|DWP16001|Envlo&reg;|GCC-5694A|GCC5694A"	"OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(cc2)C2CC2)c(Cl)c2c1CCO2"	"KORCWPOBTZTAFI-YVTYUBGGSA-N"	"InChI=1S/C24H27ClO6/c25-19-15(9-12-1-3-13(4-2-12)14-5-6-14)10-17(16-7-8-30-23(16)19)24-22(29)21(28)20(27)18(11-26)31-24/h1-4,10,14,18,20-22,24,26-29H,5-9,11H2/t18-,20-,21+,22-,24+/m1/s1"	""	""	""
"11873"	"enbezotinib"	""	"Synthetic organic"	""	""	""	""	"461663429"	"162679542"	""	""	""	""	""	""	""	""	""	""	"[C@@H]12CCC[C@H]1C1Cc3c(O[C@@H](C)CNC(=O)c4c5nc1c(O2)cn5nc4)ncc(F)c3"	"DQWACWSBFOTIDY-OUPFIFMPSA-N"	"InChI=1S/C22H22FN5O3/c1-11-7-24-21(29)16-9-26-28-10-18-19(27-20(16)28)15(14-3-2-4-17(14)31-18)6-12-5-13(23)8-25-22(12)30-11/h5,8-11,14-15,17H,2-4,6-7H2,1H3,(H,24,29)/t11-,14-,15?,17+/m0/s1"	""	""	""
"9474"	"encaleret"	""	"Synthetic organic"	""	""	""	""	"329968414"	"46917559"	""	""	""	""	""	""	""	"4-[2-[(1R)-1-[(2R)-3-[[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]phenyl]-2-methylbenzoic acid"	"encaleret"	"CLTX-305|CLTX305|JTT-305|MK5442"	"O[C@H](CNC(Cc1ccc(c(c1)F)Cl)(C)C)CO[C@@H](c1ccccc1c1ccc(c(c1)C)C(=O)O)C"	"UNFHDRVFEQPUEL-DENIHFKCSA-N"	"InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1"	""	""	""
"6926"	"encenicline"	""	"Synthetic organic"	""	""	""	""	"178103508"	"46196517"	""	""	"CHEMBL2151572"	""	""	""	""	"N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloro-1-benzothiophene-2-carboxamide"	"encenicline"	"EVP 6124|EVP-6124|EVP6124"	"O=C(c1cc2c(s1)c(Cl)ccc2)N[C@H]1CN2CCC1CC2"	"SSRDSYXGYPJKRR-ZDUSSCGKSA-N"	"InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1"	""	""	""
"12787"	"encequidar"	""	"Synthetic organic"	""	""	""	""	"483123335"	"11399764"	""	""	"CHEMBL4594298"	""	""	""	""	"N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide"	"encequidar"	"HM-30181|HM30181|Oratecan (encequidar methanesulfonate + irinotecan)|Oraxol (encequidar methanesulfonate + paclitaxel)"	"O=C(C1=CC(C=2C=CC=CC2O1)=O)NC=3C(C4=NN(N=N4)C5=CC=C(CCN6CC=7C=C(C(OC)=CC7CC6)OC)C=C5)=CC(=C(C3)OC)OC"	"AHJUHHDDCJQACA-UHFFFAOYSA-N"	"InChI=1S/C38H36N6O7/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21-30(45)27-7-5-6-8-31(27)51-36/h5-12,17-21H,13-16,22H2,1-4H3,(H,39,46)"	""	""	""
"7619"	"enclomiphene"	""	"Synthetic organic"	""	""	""	""	"223365954"	"1548953"	""	""	"CHEMBL954"	""	""	""	""	"2-[4-[(E)-2-chloro-1,2-di(phenyl)ethenyl]phenoxy]-N,N-diethylethanamine"	"clomifene|enclomifene"	"Androxal&reg;|enclomiphene citrate"	"CCN(CCOc1ccc(cc1)/C(=C(\c1ccccc1)/Cl)/c1ccccc1)CC"	"GKIRPKYJQBWNGO-OCEACIFDSA-N"	"InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+"	""	""	""
"7908"	"encorafenib"	""	"Synthetic organic"	"yes"	""	""	""	"249565591"	"50922675"	""	""	"CHEMBL3301612"	""	""	""	""	"methyl N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate"	"encorafenib"	"Braftovi&reg;|LGX-818|LGX818"	"COC(=O)N[C@H](CNc1nccc(n1)c1cn(nc1c1cc(Cl)cc(c1F)NS(=O)(=O)C)C(C)C)C"	"CMJCXYNUCSMDBY-ZDUSSCGKSA-N"	"InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1"	""	""	""
"1623"	"endomorphin-1"	"Human"	"Peptide"	""	""	""	""	"135652148"	"5311080"	""	""	"CHEMBL316446"	""	""	""	""	"(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide"	""	""	"Oc1ccc(cc1)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)N"	"ZEXLJFNSKAHNFH-SYKYGTKKSA-N"	"InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1"	""	""	""
"3668"	"endomorphin-2"	"Human"	"Peptide"	""	""	""	""	"178100562"	"5311081"	""	""	"CHEMBL333357"	""	""	""	""	"(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide"	""	""	"Oc1ccc(cc1)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)Cc1ccccc1)N"	"XIJHWXXXIMEHKW-LJWNLINESA-N"	"InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1"	""	""	""
"989"	"endothelin-1"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651742"	"16212950"	"P22388|P22387|P05305"	"ENSRNOG00000014361|ENSMUSG00000021367|ENSG00000078401"	"CHEMBL3775234"	""	""	""	""	"L-cysteinyl-L-seryl-L-cysteinyl-L-seryl-L-seryl-L-leucyl-L-methionyl-L-alpha-aspartyl-L-lysyl-L-alpha-glutamyl-L-cysteinyl-L-valyl-L-tyrosyl-L-phenylalanyl-L-cysteinyl-L-histidyl-L-leucyl-L-alpha-aspartyl-L-isoleucyl-L-isoleucyl-L-tryptophan (1->15),(3->11)-bis(disulfide)"	""	"ET-1"	"NCCCC[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC1=O)CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)CO)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@H](CC)C)[C@H](CC)C)CC(=O)O)CC(C)C)Cc1cnc[nH]1)CO"	"ZUBDGKVDJUIMQQ-ZTNLKOGPSA-N"	"InChI=1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-/m0/s1"	""	""	""
"990"	"endothelin-2"	"Human"	"Peptide"	""	""	""	""	"135651743"	"16219332"	"P20800"	"ENSG00000127129"	""	""	""	""	""	""	""	"ET-2"	"NCCCC[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC1=O)CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)CO)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@H](CC)C)[C@H](CC)C)CC(=O)O)CC(C)C)Cc1[nH]cnc1)CO)Cc1c[nH]c2c1cccc2"	"MLFJHYIHIKEBTQ-IYRKOGFYSA-N"	"InChI=1S/C115H160N26O32S4/c1-11-59(9)93(113(170)132-82(115(172)173)41-64-46-120-71-27-19-17-25-68(64)71)141-114(171)94(60(10)12-2)140-105(162)81(44-91(150)151)130-99(156)75(37-57(5)6)125-103(160)79(42-65-47-118-55-121-65)128-109(166)86-52-175-174-51-69(117)95(152)133-83(48-142)108(165)138-87-53-176-177-54-88(111(168)139-92(58(7)8)112(169)131-77(39-62-29-31-66(145)32-30-62)100(157)126-76(101(158)137-86)38-61-22-14-13-15-23-61)136-97(154)73(33-34-89(146)147)123-96(153)72(28-20-21-35-116)122-104(161)80(43-90(148)149)129-98(155)74(36-56(3)4)124-102(159)78(40-63-45-119-70-26-18-16-24-67(63)70)127-106(163)84(49-143)134-107(164)85(50-144)135-110(87)167/h13-19,22-27,29-32,45-47,55-60,69,72-88,92-94,119-120,142-145H,11-12,20-21,28,33-44,48-54,116-117H2,1-10H3,(H,118,121)(H,122,161)(H,123,153)(H,124,159)(H,125,160)(H,126,157)(H,127,163)(H,128,166)(H,129,155)(H,130,156)(H,131,169)(H,132,170)(H,133,152)(H,134,164)(H,135,167)(H,136,154)(H,137,158)(H,138,165)(H,139,168)(H,140,162)(H,141,171)(H,146,147)(H,148,149)(H,150,151)(H,172,173)/t59-,60-,69-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,92-,93-,94-/m0/s1"	""	""	""
"3546"	"endothelin-2"	"Mouse, Rat"	"Peptide"	""	""	""	""	"178100519"	"0"	"P22389|P23943"	"ENSMUSG00000028635"	""	""	""	""	""	""	""	"ET-2"	""	""	""	""	""	""
"1004"	"endothelin-3"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651744"	"16219334"	"P13207|P48299|P14138"	"ENSG00000124205|ENSMUSG00000027524"	""	""	""	""	""	""	""	"ET-3"	""	""	""	""	""	""
"10203"	"endoxifen"	""	"Synthetic organic"	""	""	""	""	"381118913"	"10090750"	""	""	"CHEMBL1093458"	""	""	""	""	"4-[(~{Z})-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol"	""	"N-Desmethyl-4-hydroxytamoxifen|Z-Endoxifen"	"CNCCOc1ccc(cc1)/C(=C(\c1ccccc1)/CC)/c1ccc(cc1)O"	"MHJBZVSGOZTKRH-IZHYLOQSSA-N"	"InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-"	""	""	""
"10989"	"Enduracidin"	""	"Synthetic organic"	""	""	""	""	"405560430"	"56842193"	""	""	""	""	""	""	""	"4-[[41-(4-aminobutyl)-9,23-bis[(2-amino-4,5-dihydro-1H-imidazol-4-yl)methyl]-26-[3-(carbamoylamino)propyl]-14-(3,5-dichloro-4-hydroxyphenyl)-29,38-bis(1-hydroxyethyl)-17-(hydroxymethyl)-3,20,32,35,43-pentakis(4-hydroxyphenyl)-6,47-dimethyl-2,5,8,11,13,16,19,22,25,28,31,34,37,40,42,45-hexadecaoxo-1-oxa-4,7,10,12,15,18,21,24,27,30,33,36,39,41,44-pentadecazacycloheptatetracont-46-yl]amino]-3-[[(2E,4E)-10-methyldodeca-2,4-dienoyl]amino]-4-oxobutanoic acid"	""	""	"NCCCCN1C(=O)NC(C(O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(O)C)C(=O)NC(CCCNC(=O)N)C(=O)NC(CC2CNC(=N2)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(=O)NC(C(=O)NC(C(=O)NC(C(=O)OC(C(C(=O)NC(C1=O)c1ccc(cc1)O)NC(=O)C(NC(=O)/C=C/C=C/CCCCC(CC)C)CC(=O)O)C)c1ccc(cc1)O)C)CC1CNC(=N1)N)c1cc(Cl)c(c(c1)Cl)O)CO)c1ccc(cc1)O)c1ccc(cc1)O)c1ccc(cc1)O"	"QKXQEKZXVMLAMO-JDCCHMEXSA-N"	"InChI=1S/C107H138Cl2N26O31/c1-7-51(2)17-12-10-8-9-11-13-19-76(144)120-74(47-77(145)146)92(152)126-80-55(6)166-102(162)86(60-28-38-68(143)39-29-60)132-88(148)52(3)117-90(150)73(46-63-49-116-104(112)119-63)124-106(164)134-100(160)84(61-43-69(108)87(147)70(109)44-61)128-93(153)75(50-136)123-97(157)81(56-20-30-64(139)31-21-56)127-91(151)72(45-62-48-115-103(111)118-62)122-89(149)71(18-16-41-114-105(113)163)121-94(154)78(53(4)137)125-98(158)82(57-22-32-65(140)33-23-57)130-99(159)83(58-24-34-66(141)35-25-58)129-95(155)79(54(5)138)133-107(165)135(42-15-14-40-110)101(161)85(131-96(80)156)59-26-36-67(142)37-27-59/h9,11,13,19-39,43-44,51-55,62-63,71-75,78-86,136-143,147H,7-8,10,12,14-18,40-42,45-50,110H2,1-6H3,(H,117,150)(H,120,144)(H,121,154)(H,122,149)(H,123,157)(H,125,158)(H,126,152)(H,127,151)(H,128,153)(H,129,155)(H,130,159)(H,131,156)(H,132,148)(H,133,165)(H,145,146)(H3,111,115,118)(H3,112,116,119)(H3,113,114,163)(H2,124,134,160,164)/b11-9+,19-13+"	""	""	"yes"
"13815"	"eneboparatide"	""	"Peptide"	""	""	""	""	"507750448"	"0"	""	""	""	""	""	""	""	""	"eneboparatide"	"AZP-3601|AZP3601|LA-PTH"	""	""	""	""	""	""
"11293"	"enerisant"	""	"Synthetic organic"	""	""	""	""	"434321728"	"42601503"	""	""	""	""	""	""	""	"[1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]-morpholin-4-ylmethanone"	"enerisant"	""	"C[C@@H]1CCCN1CCCOc1ccc(cc1)n1ncc(c1)C(=O)N1CCOCC1"	"IABXVJILZYNSTM-GOSISDBHSA-N"	"InChI=1S/C22H30N4O3/c1-18-4-2-9-24(18)10-3-13-29-21-7-5-20(6-8-21)26-17-19(16-23-26)22(27)25-11-14-28-15-12-25/h5-8,16-18H,2-4,9-15H2,1H3/t18-/m1/s1"	""	""	""
"9773"	"enexasogaol"	""	"Natural product"	""	""	""	""	"354702246"	"5281794"	""	""	"CHEMBL25948"	""	""	""	""	"(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one"	"enexasogaol"	"6-Shogaol|[6]-shogaol|trans-6-shogaol"	"CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O"	"OQWKEEOHDMUXEO-BQYQJAHWSA-N"	"InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+"	"yes"	""	""
"7175"	"enflurane"	""	"Synthetic organic"	"yes"	""	""	""	"178103750"	"3226"	""	""	"CHEMBL1257"	""	""	""	""	"2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane"	"enflurane"	"Forane&reg;"	"FC(OC(C(Cl)F)(F)F)F"	"JPGQOUSTVILISH-UHFFFAOYSA-N"	"InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H"	""	""	""
"10738"	"enfortumab vedotin"	""	"Antibody"	"yes"	""	""	""	"405067331"	"0"	""	""	""	""	""	""	""	""	"enfortumab vedotin"	"ASG-22CE|enfortumab vedotin-ejfv|Padcev&reg;"	""	""	""	""	""	""
"13743"	"engasertib"	""	"Synthetic organic"	""	""	""	""	"507750376"	"68299673"	""	""	"CHEMBL5314970"	""	""	""	""	"6-[4-(1-amino-3-hydroxycyclobutyl)phenyl]-1-ethyl-7-phenylpyrido[2,3-b][1,4]oxazin-2-one"	"engasertib"	"ALM301|VAD-044|VAD044"	"CCN1C(=O)COC2=C1C=C(C(=N2)C3=CC=C(C=C3)C4(CC(C4)O)N)C5=CC=CC=C5"	"BPHCAPAOSHZYJY-UHFFFAOYSA-N"	"InChI=1S/C25H25N3O3/c1-2-28-21-12-20(16-6-4-3-5-7-16)23(27-24(21)31-15-22(28)30)17-8-10-18(11-9-17)25(26)13-19(29)14-25/h3-12,19,29H,2,13-15,26H2,1H3"	""	""	""
"8372"	"(-)-englerin A"	""	"Synthetic organic"	""	""	""	""	"252166584"	"46242512"	""	""	""	""	""	""	""	""	""	""	"OCC(=O)O[C@@H]1C[C@@]2(O[C@@]1(C)[C@@H]1CC[C@H]([C@H]1[C@@H]2OC(=O)/C=C/c1ccccc1)C)C(C)C"	"GACOFEKSDCOVMV-RRYXBOBMSA-N"	"InChI=1S/C26H34O6/c1-16(2)26-14-20(30-22(29)15-27)25(4,32-26)19-12-10-17(3)23(19)24(26)31-21(28)13-11-18-8-6-5-7-9-18/h5-9,11,13,16-17,19-20,23-24,27H,10,12,14-15H2,1-4H3/b13-11+/t17-,19-,20-,23-,24+,25+,26-/m1/s1"	""	""	""
"14700"	"enicepatide"	""	"Peptide"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"enicepatide"	"CT-388|CT388|RO-7795068|RO7795068"	""	""	""	""	""	""
"11686"	"enitociclib"	""	"Synthetic organic"	""	""	""	""	"442878712"	"139593425"	""	""	""	""	""	""	""	"5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(methylsulfonimidoyl)methyl]pyridin-2-yl]pyridin-2-amine"	"enitociclib"	"BAY 1251152|BAY-1251152|BAY1251152|VIP-152|VIP152"	"COc1cc(F)ccc1c1cc(Nc2cc(C[S@@](=N)(=O)C)ccn2)ncc1F"	"YZCUMZWULWOUMD-NDEPHWFRSA-N"	"InChI=1S/C19H18F2N4O2S/c1-27-17-8-13(20)3-4-14(17)15-9-19(24-10-16(15)21)25-18-7-12(5-6-23-18)11-28(2,22)26/h3-10,22H,11H2,1-2H3,(H,23,24,25)/t28-/m0/s1"	""	""	""
"13944"	"enlicitide"	""	"Peptide"	"yes"	""	""	""	"513757629"	"164933665"	""	""	""	""	""	""	""	""	"enlicitide chloride"	"Lipfendra&reg;|MK-0616|MK0616"	"C[C@H]1C(=O)N[C@@H](C(=O)N[C@H]2CC3=CC(=CC=C3)CNC(=O)CO[C@H]4CCN5[C@@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)N6CCC[C@]6(C(=O)NCCC7=CC=C(CN(CCCCCCN8C=C(C[C@@H](C5=O)NC2=O)C9=C8C=CC(=C9)F)C(=O)CCC(=O)N1)C=C7)C)CC%10=CC=C(C=C%10)OC)[C@@H](C)O)CNC(=O)CCCCC[N+](C)(C)C"	"ZJMSWDDEBKNMLX-HMPNVHCESA-O"	"InChI=1S/C82H109FN14O15/c1-51-74(103)91-65(47-86-68(99)19-11-10-14-40-97(4,5)6)76(105)88-62-43-56-17-15-18-57(41-56)46-85-70(101)50-112-67-33-39-95-73(67)78(107)92-72(52(2)98)77(106)90-63(42-54-24-27-60(111-7)28-25-54)80(109)96-38-16-34-82(96,3)81(110)84-35-32-53-20-22-55(23-21-53)48-94(71(102)31-30-69(100)87-51)37-13-9-8-12-36-93-49-58(44-64(79(95)108)89-75(62)104)61-45-59(83)26-29-66(61)93/h15,17-18,20-29,41,45,49,51-52,62-65,67,72-73,98H,8-14,16,19,30-40,42-44,46-48,50H2,1-7H3,(H8-,84,85,86,87,88,89,90,91,92,99,100,101,103,104,105,106,107,110)/p+1/t51-,52+,62-,63-,64-,65+,67-,72-,73-,82-/m0/s1"	""	""	""
"13789"	"enlonstobart"	""	"Antibody"	"yes"	""	""	""	"507750422"	"0"	""	""	""	""	""	""	""	""	""	"SG-001|SG001"	""	""	""	""	""	""
"7885"	"ENMD-2076"	""	"Synthetic organic"	""	""	""	""	"249565576"	"16041424"	""	""	"CHEMBL482968"	""	""	""	""	"6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine"	""	"ENMD 2076|ENMD2076"	"CN1CCN(CC1)c1nc(/C=C/c2ccccc2)nc(c1)Nc1n[nH]c(c1)C"	"BLQYVHBZHAISJM-CMDGGOBGSA-N"	"InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)/b9-8+"	""	""	""
"12188"	"enmetazobactam"	""	"Synthetic organic"	"yes"	""	""	""	"472319310"	"23653540"	""	""	"CHEMBL4458276"	""	""	""	""	"(2S,3S,5R)-3-methyl-3-[(3-methyltriazol-3-ium-1-yl)methyl]-4,4,7-trioxo-4&lambda;<sup>6</sup>-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate"	"enmetazobactam"	"AAI101|Exblifep&reg; (cefepime + enmetazobactam)|OCID-5090"	"C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)[O-])Cn1cc[n+](n1)C"	"HFZITXBUTWITPT-YWVKMMECSA-N"	"InChI=1S/C11H14N4O5S/c1-11(6-14-4-3-13(2)12-14)9(10(17)18)15-7(16)5-8(15)21(11,19)20/h3-4,8-9H,5-6H2,1-2H3/t8-,9+,11+/m1/s1"	""	""	"yes"
"9589"	"enoblituzumab"	""	"Antibody"	""	""	""	""	"340590220"	"0"	""	""	""	""	""	""	""	""	"enoblituzumab"	"MGA-271|MGA271"	""	""	""	"yes"	""	""
"8934"	"enokizumab"	""	"Antibody"	""	""	""	""	"310264715"	"0"	""	""	""	""	""	""	""	""	"enokizumab"	"7F3com-2H2|MEDI-528|MEDI528"	""	""	""	"yes"	""	""
"8882"	"enoxacin"	""	"Synthetic organic"	"yes"	"yes"	""	""	"252827539"	"3229"	""	""	"CHEMBL826"	""	""	""	""	"1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid"	"enoxacin"	"AT-2266|CI-919|Penetrex&reg;"	"CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F"	"IDYZIJYBMGIQMJ-UHFFFAOYSA-N"	"InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)"	""	""	"yes"
"6811"	"enoxaparin"	""	"Synthetic organic"	"yes"	""	""	""	"178103417"	"772"	""	""	"CHEMBL1201476"	""	""	""	""	"6-[5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[5-(6-carboxy-4,5-dihydroxy-3-sulfooxyoxan-2-yl)oxy-6-(hydroxymethyl)-3-(sulfoamino)-4-sulfooxyoxan-2-yl]oxy-4-hydroxy-5-sulfooxyoxane-2-carboxylic acid"	"enoxaparin sodium"	"Clexane&reg;|enoxaparin sodium|Lovenox&reg;|PK-10169|RP-54563"	"OCC1OC(OC2C(OC(C(C2O)OS(=O)(=O)O)OC2C(COS(=O)(=O)O)OC(C(C2O)NC(=O)C)O)C(=O)O)C(C(C1OC1OC(C(=O)O)C(C(C1OS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O"	"HTTJABKRGRZYRN-UHFFFAOYSA-N"	"InChI=1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)"	""	""	""
"9063"	"enoximone"	""	"Synthetic organic"	"yes"	""	""	""	"315661148"	"53708"	""	""	"CHEMBL249856"	""	""	""	""	"4-methyl-5-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one"	"enoximone"	"fenoximone|MDL 17,043|MDL-17,043|MDL-17043|Perfan&reg;"	"CSc1ccc(cc1)C(=O)c1[nH]c(=O)[nH]c1C"	"ZJKNESGOIKRXQY-UHFFFAOYSA-N"	"InChI=1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)"	""	""	""
"11264"	"enoxolone"	""	"Synthetic organic"	""	""	""	""	"434321699"	"10114"	""	""	"CHEMBL230006"	""	""	""	""	"(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid"	"enoxolone"	"18&beta;-Glycyrrhetinic acid|glycyrrhetic acid|glycyrrhetinic acid"	"O=C1C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@]2([C@]2([C@H]1[C@@]1(C)CC[C@@H](C([C@@H]1CC2)(C)C)O)C)C)C(=O)O"	"MPDGHEJMBKOTSU-YKLVYJNSSA-N"	"InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1"	""	""	"yes"
"13744"	"enozertinib"	""	"Synthetic organic"	""	""	""	""	"507750377"	"155696192"	""	""	""	""	""	""	""	"N-[2-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-5-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-methoxyphenyl]prop-2-enamide"	"enozertinib"	"example 57 [US11466000B2]"	"[H][C@@]1(CCON1C2=CC(NC3=CC(NC(=O)C=C)=C(C=C3OC)N4CCC(CC4)N5CCN(CC5)C6CC6)=NC=N2)C7=CC(F)=CC(F)=C7"	"NNDXFTMFJKUUQA-SSEXGKCCSA-N"	"InChI=1S/C35H42F2N8O3/c1-3-35(46)41-28-19-29(40-33-21-34(39-22-38-33)45-30(8-15-48-45)23-16-24(36)18-25(37)17-23)32(47-2)20-31(28)44-9-6-27(7-10-44)43-13-11-42(12-14-43)26-4-5-26/h3,16-22,26-27,30H,1,4-15H2,2H3,(H,41,46)(H,38,39,40)/t30-/m1/s1"	""	""	""
"11307"	"enpatoran"	""	"Synthetic organic"	""	""	""	""	"434321742"	"129240620"	""	""	""	""	""	""	""	"5-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile"	"enpatoran"	"compound 73 [WO2017106607A1]|M-5049|M5049"	"N#Cc1ccc(c2c1nccc2)N1C[C@H](N)C[C@@H](C1)C(F)(F)F"	"BJXYHBKEQFQVES-NWDGAFQWSA-N"	"InChI=1S/C16H15F3N4/c17-16(18,19)11-6-12(21)9-23(8-11)14-4-3-10(7-20)15-13(14)2-1-5-22-15/h1-5,11-12H,6,8-9,21H2/t11-,12+/m0/s1"	"yes"	""	""
"13937"	"ENPP1 inhibitor 27"	""	"Synthetic organic"	""	""	""	""	"513757622"	"168990978"	""	""	""	""	""	""	""	"[4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid"	""	""	"COC1=CC=C2C(OC3=CC=C(CP(O)(O)=O)C=C3)=CC=NC2=N1"	"OMZZUXIAISGIOK-UHFFFAOYSA-N"	"InChI=1S/C16H15N2O5P/c1-22-15-7-6-13-14(8-9-17-16(13)18-15)23-12-4-2-11(3-5-12)10-24(19,20)21/h2-9H,10H2,1H3,(H2,19,20,21)"	"yes"	""	""
"13938"	"ENPP1 inhibitor 29f"	""	"Synthetic organic"	""	""	""	""	"513757623"	"157040072"	""	""	"CHEMBL5413273"	""	""	""	""	"2-methyl-1-oxo-4-[[4-(sulfamoylamino)phenyl]methyl]phthalazine"	""	""	"O=C1C2=CC=CC=C2C(CC3=CC=C(NS(N)(=O)=O)C=C3)=NN1C"	"ZBMUKGSKMVACJQ-UHFFFAOYSA-N"	"InChI=1S/C16H16N4O3S/c1-20-16(21)14-5-3-2-4-13(14)15(18-20)10-11-6-8-12(9-7-11)19-24(17,22)23/h2-9,19H,10H2,1H3,(H2,17,22,23)"	""	""	""
"1918"	"enprostil"	""	"Synthetic organic"	""	""	""	""	"135650232"	"5311225"	""	""	"CHEMBL2104194"	""	""	""	""	"methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-(phenoxy)but-1-enyl]-5-oxocyclopentyl]hepta-4,5-dienoate"	"enprostil"	"gardrin|RS 84135-004|RS-84135"	"COC(=O)CCC=C=CC[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](COc1ccccc1)O)O"	"PTOJVMZPWPAXER-VFJVYMGBSA-N"	"InChI=1S/C23H28O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-20,22,24,26H,8,11-12,15-16H2,1H3/b14-13+/t2?,17-,19-,20-,22-/m1/s1"	""	""	""
"13668"	"enrofloxacin"	""	"Synthetic organic"	""	""	""	""	"507750302"	"71188"	""	""	"CHEMBL15511"	""	""	""	""	"1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid"	"enrofloxacin"	"BAY Vp 2674|Baytril&reg; (veterinary)"	"CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F"	"SPFYMRJSYKOXGV-UHFFFAOYSA-N"	"InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)"	""	""	"yes"
"13489"	"enrupatinib"	""	"Synthetic organic"	""	""	""	""	"500839899"	"134442338"	""	""	""	""	""	""	""	"6-[3-methoxy-4-[(6-methylpyridin-3-yl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile"	"enrupatinib"	"compound 54 [WO2018071348]"	"COC1=CC(NC2=C(C#N)C3=C(C=C2)N=CC(=N3)N4CCOCC4)=CC=C1OCC5=CN=C(C)C=C5"	"UGKFKFGVNJJPOL-UHFFFAOYSA-N"	"InChI=1S/C27H26N6O3/c1-18-3-4-19(15-29-18)17-36-24-8-5-20(13-25(24)34-2)31-22-6-7-23-27(21(22)14-28)32-26(16-30-23)33-9-11-35-12-10-33/h3-8,13,15-16,31H,9-12,17H2,1-2H3"	""	""	""
"8959"	"ensartinib"	""	"Synthetic organic"	"yes"	""	""	""	"310264740"	"56960447"	""	""	""	""	""	""	""	"6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridazine-3-carboxamide"	"ensartinib"	"Beimeina&reg; (China trade name)|Ensacove&reg; (US trade name)|Example 18 [WO2012048259]|Gevalka&reg; (EU trade name)|X-396"	"CN1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)c1nnc(c(c1)O[C@@H](c1c(Cl)ccc(c1Cl)F)C)N"	"ONPGOSVDVDPBCY-CQSZACIVSA-N"	"InChI=1S/C25H25Cl2FN6O3/c1-14(21-17(26)7-8-18(28)22(21)27)37-20-13-19(31-32-23(20)29)24(35)30-16-5-3-15(4-6-16)25(36)34-11-9-33(2)10-12-34/h3-8,13-14H,9-12H2,1-2H3,(H2,29,32)(H,30,35)/t14-/m1/s1"	""	""	""
"11865"	"ensifentrine"	""	"Synthetic organic"	"yes"	""	""	""	"461663421"	"9934746"	""	""	"CHEMBL4594287"	""	""	""	""	"2-[9,10-dimethoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethylurea"	"ensifentrine"	"Ohtuvayre&reg;|RPL554|VMX 554|VMX-554|VMX554"	"Cc1cc(c(c(c1)C)N=c1cc2c3cc(c(cc3CCn2c(=O)n1CCNC(=O)N)OC)OC)C"	"CSOBIBXVIYAXFM-UHFFFAOYSA-N"	"InChI=1S/C26H31N5O4/c1-15-10-16(2)24(17(3)11-15)29-23-14-20-19-13-22(35-5)21(34-4)12-18(19)6-8-30(20)26(33)31(23)9-7-28-25(27)32/h10-14H,6-9H2,1-5H3,(H3,27,28,32)"	"yes"	""	""
"11871"	"ensitrelvir"	""	"Synthetic organic"	"yes"	""	""	""	"461663427"	"162533924"	""	""	""	""	""	""	""	"(6E)-6-[(6-chloro-2-methyl-2H-indazol-5-yl)imino]-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazinane-2,4-dione"	"ensitrelvir"	"compound 3 [PMID: 35352927]|compound I-0006 [WO2022138987]|S-217622|S217622|Xocova&reg;"	"Clc1c(cc2cn(nc2c1)C)/N=c/1\[nH]c(=O)n(c(=O)n1Cc1c(cc(c(c1)F)F)F)Cc1nn(cn1)C"	"QMPBBNUOBOFBFS-UHFFFAOYSA-N"	"InChI=1S/C22H17ClF3N9O2/c1-32-7-12-4-18(13(23)5-17(12)30-32)28-20-29-21(36)35(9-19-27-10-33(2)31-19)22(37)34(20)8-11-3-15(25)16(26)6-14(11)24/h3-7,10H,8-9H2,1-2H3,(H,28,29,36)"	""	""	""
"11470"	"ensovibep"	""	"Peptide"	""	""	""	""	"440816838"	"0"	""	""	""	""	""	""	""	""	"ensovibep"	"MP-0420|MP0420"	""	""	""	""	""	""
"6647"	"entacapone"	""	"Synthetic organic"	"yes"	""	""	""	"178103260"	"5281081"	""	""	"CHEMBL953"	""	""	""	""	"(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide"	"entacapone"	"Comtan&reg;|Comtess&reg;|OR-611"	"CCN(C(=O)/C(=C/c1cc(O)c(c(c1)[N+](=O)[O-])O)/C#N)CC"	"JRURYQJSLYLRLN-BJMVGYQFSA-N"	"InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+"	""	""	""
"11063"	"enteromycin carboxamide"	""	"Synthetic organic"	""	""	""	""	"405560504"	"6438253"	""	""	""	""	""	""	""	"2-[[(E)-3-amino-3-oxoprop-1-enyl]amino]-N-methoxy-2-oxoethanimine oxide"	""	"BRN 2416858|BRN-2416858|BRN2416858|LS-14645"	"CO/[N+](=C/C(=O)N/C=C/C(=O)N)/[O-]"	"WWUHEQGWFDDSQX-DSXPNFDZSA-N"	"InChI=1S/C6H9N3O4/c1-13-9(12)4-6(11)8-3-2-5(7)10/h2-4H,1H3,(H2,7,10)(H,8,11)/b3-2+,9-4+"	""	""	"yes"
"7007"	"entinostat"	""	"Synthetic organic"	"yes"	""	""	""	"178103586"	"4261"	""	""	"CHEMBL27759"	""	""	""	""	"pyridin-3-ylmethyl N-({4-[(2-aminophenyl)carbamoyl]phenyl}methyl)carbamate"	"entinostat"	"BAY 86-5274|MS-275|SNDX-275|ZK 244894"	"O=C(OCc1cccnc1)NCc1ccc(cc1)C(=O)Nc1ccccc1N"	"INVTYAOGFAGBOE-UHFFFAOYSA-N"	"InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)"	""	""	""
"7889"	"entospletinib"	""	"Synthetic organic"	""	""	""	""	"249565580"	"59473233"	""	""	"CHEMBL3265032"	""	""	""	""	"6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine"	"entospletinib"	"GS-9973"	"O1CCN(CC1)c1ccc(cc1)Nc1nc(cn2c1ncc2)c1ccc2c(c1)[nH]nc2"	"XSMSNFMDVXXHGJ-UHFFFAOYSA-N"	"InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)"	""	""	""
"8290"	"entrectinib"	""	"Synthetic organic"	"yes"	""	""	""	"252166502"	"25141092"	""	""	"CHEMBL1983268"	""	""	""	""	"N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide"	"entrectinib"	"NMS-E628|Rozlytrek&reg;|RXDX-101"	"CN1CCN(CC1)c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1cc(cc2)Cc1cc(F)cc(c1)F"	"HAYYBYPASCDWEQ-UHFFFAOYSA-N"	"InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)"	""	""	""
"10492"	"envafolimab"	""	"Antibody"	"yes"	""	""	""	"387065574"	"0"	""	""	""	""	""	""	""	""	"envafolimab"	"Envida&reg;|KN-035|KN035"	""	""	""	"yes"	""	""
"13276"	"enviomycin"	""	"Natural product"	"yes"	""	""	""	"491300058"	"135565326"	""	""	"CHEMBL2146142"	""	""	""	""	"(3R,4R)-3,6-diamino-N-[(3S,6Z,9S,12S,15S)-3-[(4R)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxyhexanamide"	"enviomycin"	"Tuberactin&reg;|tuberactinomycin N"	"C1CNC(=N[C@H]1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H]([C@@H](CCN)O)N)N"	"HPWIIERXAFODPP-GHBBWTPBSA-N"	"InChI=1S/C25H43N13O10/c26-3-1-16(41)10(27)5-17(42)33-12-6-31-23(47)18(11-2-4-30-24(28)37-11)38-20(44)13(7-32-25(29)48)34-21(45)14(8-39)36-22(46)15(9-40)35-19(12)43/h7,10-12,14-16,18,39-41H,1-6,8-9,26-27H2,(H,31,47)(H,33,42)(H,34,45)(H,35,43)(H,36,46)(H,38,44)(H3,28,30,37)(H3,29,32,48)/b13-7-/t10-,11-,12+,14+,15+,16-,18+/m1/s1"	""	""	"yes"
"14073"	"envometinib"	""	"Synthetic organic"	""	""	""	""	"518520700"	"168982960"	""	""	""	""	""	""	""	"[3-[[2-chloro-3-(methylsulfamoylamino)phenyl]methyl]-4-[(dimethylamino)methyl]-2-oxochromen-7-yl] N,N-dimethylcarbamate"	"envometinib"	"example 274 [WO2023133472]|IMM-6-415"	"CNS(=O)(=O)NC1=CC=CC(=C1Cl)CC2=C(C3=C(C=C(C=C3)OC(=O)N(C)C)OC2=O)CN(C)C"	"UNBQMQJVNBHLAP-UHFFFAOYSA-N"	"InChI=1S/C23H27ClN4O6S/c1-25-35(31,32)26-19-8-6-7-14(21(19)24)11-17-18(13-27(2)3)16-10-9-15(33-23(30)28(4)5)12-20(16)34-22(17)29/h6-10,12,25-26H,11,13H2,1-5H3"	""	""	""
"11874"	"envonalkib"	""	"Synthetic organic"	"yes"	""	""	""	"461663430"	"76899983"	""	""	""	""	""	""	""	"3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-[(2S)-2-methylpiperazin-1-yl]pyridin-3-yl]pyridin-2-amine"	"envonalkib"	"example 27 [WO2014117718A1]|TQ-B3139"	"Clc1c(c(ccc1F)Cl)[C@@H](C)Oc1cc(cnc1N)c1cnc(cc1OC)N1[C@H](CNCC1)C"	"BVGDAZBTIVRTGO-UONOGXRCSA-N"	"InChI=1S/C24H26Cl2FN5O2/c1-13-10-29-6-7-32(13)21-9-19(33-3)16(12-30-21)15-8-20(24(28)31-11-15)34-14(2)22-17(25)4-5-18(27)23(22)26/h4-5,8-9,11-14,29H,6-7,10H2,1-3H3,(H2,28,31)/t13-,14+/m0/s1"	""	""	""
"13205"	"envudeucitinib"	""	"Synthetic organic"	""	""	""	""	"491299987"	"158715582"	""	""	""	""	""	""	""	"N-[4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-5-(3,3,3-trideuteriopropanoyl)pyridin-2-yl]cyclopropanecarboxamide"	"envudeucitinib"	""	"[2H]C([2H])([2H])CC(=O)C1=CN=C(NC(=O)C2CC2)C=C1NC3=CC=CC(C4=NN(C=N4)C([2H])([2H])[2H])=C3OC"	"FKCATCQHVCOBCX-WFGJKAKNSA-N"	"InChI=1S/C22H24N6O3/c1-4-18(29)15-11-23-19(26-22(30)13-8-9-13)10-17(15)25-16-7-5-6-14(20(16)31-3)21-24-12-28(2)27-21/h5-7,10-13H,4,8-9H2,1-3H3,(H2,23,25,26,30)/i1D3,2D3"	""	""	""
"6812"	"enzalutamide"	""	"Synthetic organic"	"yes"	""	""	""	"178103418"	"15951529"	""	""	"CHEMBL1082407"	""	""	""	""	"4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl}-2-fluoro-N-methylbenzamide"	"enzalutamide"	"MDV-3100|MDV3100|Xtandi&reg;"	"CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(c(c1)C(F)(F)F)C#N"	"WXCXUHSOUPDCQV-UHFFFAOYSA-N"	"InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)"	""	""	""
"5693"	"enzastaurin"	""	"Synthetic organic"	""	""	""	""	"178102320"	"176167"	""	""	"CHEMBL300138"	""	""	""	""	"3-(1-methyl-1H-indol-3-yl)-4-{1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-indol-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione"	"enzastaurin"	"LY-317615|LY317615"	"O=C1NC(=O)C(=C1c1cn(c2c1cccc2)C1CCN(CC1)Cc1ccccn1)c1cn(c2c1cccc2)C"	"AXRCEOKUDYDWLF-UHFFFAOYSA-N"	"InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)"	""	""	""
"13620"	"enzomenib"	""	"Synthetic organic"	""	""	""	""	"504705439"	"146430058"	""	""	"CHEMBL5314915"	""	""	""	""	"5-fluoro-2-[4-[7-[(1S,3S,4R)-5-methylidene-2-azabicyclo[2.2.2]octane-3-carbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-N,N-di(propan-2-yl)benzamide"	"enzomenib"	"DSP-5336|DSP5336"	"CC(C)N(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=CN=CN=C2N3CC4(C3)CCN(CC4)C(=O)[C@@H]5[C@@H]6CC[C@H](N5)CC6=C"	"JQHJEDMMWUIYCE-FVVBACEJSA-N"	"InChI=1S/C33H43FN6O3/c1-20(2)40(21(3)4)31(41)26-15-23(34)6-9-27(26)43-28-16-35-19-36-30(28)39-17-33(18-39)10-12-38(13-11-33)32(42)29-25-8-7-24(37-29)14-22(25)5/h6,9,15-16,19-21,24-25,29,37H,5,7-8,10-14,17-18H2,1-4H3/t24-,25+,29-/m0/s1"	""	""	""
"13932"	"EOS-984"	""	"Synthetic organic"	""	""	""	""	"513757617"	"156881893"	""	""	""	""	""	""	""	""	""	"compound 10 [US20230203058A1]|EOS301984|EOS984"	"COC1=CC(C(O[C@@H]2CCCOC3=C(C(OC)=CC(C(NCCCN4CCCN(CC4)CC2)=O)=C3)OC)=O)=CC(OC)=C1OC"	"VIUYKJLZCCMVQW-RUZDIDTESA-N"	"InChI=1S/C33H47N3O9/c1-39-26-19-23-20-29(31(26)43-5)44-18-6-9-25(45-33(38)24-21-27(40-2)30(42-4)28(22-24)41-3)10-15-36-14-8-13-35(16-17-36)12-7-11-34-32(23)37/h19-22,25H,6-18H2,1-5H3,(H,34,37)/t25-/m1/s1"	""	""	""
"5853"	"EP 157"	""	"Synthetic organic"	""	""	""	""	"178102477"	"73755162"	""	""	""	""	""	""	""	""	""	"EP-157|EP157"	"OC(=O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@H]([C@H]1/C=N/OC(c1ccccc1)c1ccccc1)C=C2"	"NBBRUBRIVJNCKV-BYSZDLRWSA-N"	"InChI=1S/C29H33NO3/c31-28(32)16-10-2-1-9-15-26-22-17-19-23(20-18-22)27(26)21-30-33-29(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h1,3-9,11-14,17,19,21-23,26-27,29H,2,10,15-16,18,20H2,(H,31,32)/b9-1-,30-21+/t22-,23+,26+,27+/m0/s1"	""	""	""
"1971"	"EP 171"	""	"Synthetic organic"	""	""	""	""	"135650233"	"5311384"	""	""	""	""	""	""	""	"(Z)-7-[(1S,4R,5R,6R)-5-[(E,3S)-4-(4-fluorophenoxy)-3-hydroxybut-1-enyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid"	""	"EP-171|EP171"	"OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@@H](COc1ccc(cc1)F)O)O2"	"JEUSDRLWFSRHSX-XUEDOEMRSA-N"	"InChI=1S/C23H29FO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19+,20+,21-,22+/m0/s1"	""	""	""
"13364"	"EP26"	""	"Synthetic organic"	""	""	""	""	"496703334"	"171663343"	""	""	""	""	""	""	""	"N-(3-Chloro-2-fluorophenyl)-6-(4-((2,6-dimethoxy-4-((2-methyl-[1,1′-biphenyl]-3-yl)methoxy)benzyl)amino)butoxy)-7-methoxyquinazolin-4-amine"	""	""	"CC1=C(COC2=CC(OC)=C(CNCCCCOC3=C(OC)C=C4N=CN=C(NC5=C(F)C(Cl)=CC=C5)C4=C3)C(OC)=C2)C=CC=C1C6=CC=CC=C6"	"UNVKVCJYTQIHSW-UHFFFAOYSA-N"	"InChI=1S/C42H42ClFN4O5/c1-27-29(14-10-15-31(27)28-12-6-5-7-13-28)25-53-30-20-37(49-2)33(38(21-30)50-3)24-45-18-8-9-19-52-40-22-32-36(23-39(40)51-4)46-26-47-42(32)48-35-17-11-16-34(43)41(35)44/h5-7,10-17,20-23,26,45H,8-9,18-19,24-25H2,1-4H3,(H,46,47,48)"	""	""	""
"11990"	"EP-7041"	""	"Synthetic organic"	""	""	""	""	"464244131"	"118291958"	""	""	""	""	""	""	""	"(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-[[(1R)-1-cyclohexylethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid"	""	"EP7041"	"Nc1nccc(c1)C[C@@H]1[C@H](N(C1=O)C(=O)N[C@H](C)C1CCCCC1)C(=O)O"	"NYPSZHLKEMYZKK-XFJVYGCCSA-N"	"InChI=1S/C19H26N4O4/c1-11(13-5-3-2-4-6-13)22-19(27)23-16(18(25)26)14(17(23)24)9-12-7-8-21-15(20)10-12/h7-8,10-11,13-14,16H,2-6,9H2,1H3,(H2,20,21)(H,22,27)(H,25,26)/t11-,14-,16+/m1/s1"	""	""	""
"3362"	"EPA"	""	"Metabolite"	""	""	""	""	"178100387"	"446284"	""	""	"CHEMBL460026"	""	""	""	""	"(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid"	"icosapent"	"C20:5n-3,6,9,12,15|eicosapentaenoic acid|icosapentaenoic acid"	"CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O"	"JAZBEHYOTPTENJ-JLNKQSITSA-N"	"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-"	""	""	""
"8221"	"epacadostat"	""	"Synthetic organic"	""	""	""	""	"249565901"	"135564890"	""	""	"CHEMBL3545369"	""	""	""	""	"(3E)-3-[(3-bromo-4-fluoroanilino)-nitrosomethylidene]-4-[2-(sulfamoylamino)ethylamino]-1,2,5-oxadiazole"	"epacadostat"	"IDO inhibitor 1|INCB 24360|INCB-24360|INCB024360"	"O=N/C(=c\1/[nH]onc1NCCNS(=O)(=O)N)/Nc1ccc(c(c1)Br)F"	"YPBKTZBXSBLTDK-PKNBQFBNSA-N"	"InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16-17,19H,3-4H2,(H,15,20)(H2,14,22,23)/b11-9+"	"yes"	""	""
"11371"	"epalrestat"	""	"Synthetic organic"	"yes"	""	""	""	"440816740"	"1549120"	""	""	"CHEMBL56337"	""	""	""	""	"2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid"	"epalrestat"	"Kinedak&reg;|ONO-2235|ONO2235"	"C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)CC(=O)O"	"CHNUOJQWGUIOLD-NFZZJPOKSA-N"	"InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-"	""	""	""
"11442"	"epcoritamab"	""	"Antibody"	"yes"	""	""	""	"440816811"	"0"	""	""	""	""	""	""	""	""	"epcoritamab"	"epcoritamab-bysp|Epkinly&reg;|GEN-3013|GEN3013|Tepkinly&reg;"	""	""	""	"yes"	""	""
"10803"	"eperezolid"	""	"Synthetic organic"	""	""	""	""	"405560244"	"73214"	""	""	"CHEMBL47955"	""	""	""	""	"N-[[(5S)-3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide"	"eperezolid"	"comound 2 [PMID: 23584544]|PNU-100592|PNU100592|U-100592|U100592"	"OCC(=O)N1CCN(CC1)c1ccc(cc1F)N1C[C@@H](OC1=O)CNC(=O)C"	"SIMWTRCFFSTNMG-AWEZNQCLSA-N"	"InChI=1S/C18H23FN4O5/c1-12(25)20-9-14-10-23(18(27)28-14)13-2-3-16(15(19)8-13)21-4-6-22(7-5-21)17(26)11-24/h2-3,8,14,24H,4-7,9-11H2,1H3,(H,20,25)/t14-/m0/s1"	""	""	"yes"
"13079"	"epetraborole"	""	"Synthetic organic"	""	""	""	""	"491299861"	"46836890"	""	""	"CHEMBL3549142"	""	""	""	""	"3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol"	"epetraborole"	"AN3365|BRII-658|GSK2251052"	"B1(C2=C(C=CC=C2OCCCO)[C@H](O1)CN)O"	"FXQIIDINBDJDKL-SNVBAGLBSA-N"	"InChI=1S/C11H16BNO4/c13-7-10-8-3-1-4-9(16-6-2-5-14)11(8)12(15)17-10/h1,3-4,10,14-15H,2,5-7,13H2/t10-/m1/s1"	""	""	"yes"
"556"	"ephedrine"	""	"Synthetic organic"	"yes"	""	""	""	"135650234"	"9294"	""	""	"CHEMBL211456"	""	""	""	""	"(1R,2S)-2-methylamino-1-phenylpropan-1-ol"	"racephedrine"	"Emerphed&reg; (ephedrine sulfate injection)"	"CN[C@H]([C@@H](c1ccccc1)O)C"	"KWGRBVOPPLSCSI-WPRPVWTQSA-N"	"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1"	""	""	""
"4908"	"ephrin-A1"	"Human"	"Peptide"	""	""	""	""	"178101607"	"0"	"P20827"	"ENSG00000169242"	""	""	""	""	""	""	""	"EFNA1|EPH-related receptor tyrosine kinase ligand 1|immediate early response protein B61|TNF alpha-induced protein 4|tumor necrosis factor alpha-induced protein 4 (TNFAIP4)"	""	""	""	""	""	""
"4909"	"ephrin-A2"	"Human"	"Peptide"	""	""	""	""	"178101608"	"0"	"O43921"	"ENSG00000099617"	""	""	""	""	""	""	""	"EFNA2|EPH-related receptor tyrosine kinase ligand 6|HEK7 ligand|HEK7-L"	""	""	""	""	""	""
"4910"	"ephrin-A3"	"Human"	"Peptide"	""	""	""	""	"178101609"	"0"	"P52797"	"ENSG00000143590"	""	""	""	""	""	""	""	"EFL-2|EFNA3|EHK1 ligand|EPH-related receptor tyrosine kinase ligand 3"	""	""	""	""	""	""
"4911"	"ephrin-A4"	"Human"	"Peptide"	""	""	""	""	"178101610"	"0"	"P52798"	"ENSG00000243364"	""	""	""	""	""	""	""	"EFNA4|EPH-related receptor tyrosine kinase ligand 4|LERK-4"	""	""	""	""	""	""
"4912"	"ephrin-A5"	"Human"	"Peptide"	""	""	""	""	"178101611"	"0"	"P52803"	"ENSG00000184349"	""	""	""	""	""	""	""	"AL-1|EFNA5|EPH-related receptor tyrosine kinase ligand 7|LERK-7"	""	""	""	""	""	""
"4913"	"ephrin-B1"	"Human"	"Peptide"	""	""	""	""	"178101612"	"0"	"P98172"	"ENSG00000090776"	""	""	""	""	""	""	""	"EFL-3|EFNB1|ELK ligand|EPH-related receptor tyrosine kinase ligand 2|LERK-2"	""	""	""	""	""	""
"4914"	"ephrin-B2"	"Human"	"Peptide"	""	""	""	""	"178101613"	"0"	"P52799"	"ENSG00000125266"	""	""	""	""	""	""	""	"EFNB2|LERK-5"	""	""	""	""	""	""
"4915"	"ephrin-B3"	"Human"	"Peptide"	""	""	""	""	"178101614"	"0"	"Q15768"	"ENSG00000108947"	""	""	""	""	""	""	""	"EFNB3|EPH-related receptor transmembrane ligand ELK-L3|EPH-related receptor tyrosine kinase ligand 8"	""	""	""	""	""	""
"13272"	"EPI-589"	""	"Synthetic organic"	""	""	""	""	"491300054"	"42600375"	""	""	""	""	""	""	""	"(2R)-2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamide"	""	"EPI589"	"CC1=C(C(=O)C(=C(C1=O)C)CC[C@](C)(C(=O)N)O)C"	"BAANPNDZFYBQIB-CQSZACIVSA-N"	"InChI=1S/C14H19NO4/c1-7-8(2)12(17)10(9(3)11(7)16)5-6-14(4,19)13(15)18/h19H,5-6H2,1-4H3,(H2,15,18)/t14-/m1/s1"	""	""	""
"5348"	"epibatidine"	""	"Natural product"	""	""	""	""	"178102010"	"3073763"	""	""	"CHEMBL298517"	""	""	""	""	"(1S,2S,4R)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane"	""	"(+)-epibatidine|CMI 488"	"Clc1ccc(cn1)[C@@H]1C[C@@H]2N[C@H]1CC2"	"NLPRAJRHRHZCQQ-UTLUCORTSA-N"	"InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1"	""	""	""
"12497"	"(-)-Epicatechin"	""	"Natural product"	""	""	""	""	"479821287"	"72276"	""	""	"CHEMBL583912"	""	""	""	""	"(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol"	""	"(2R,3R)-(-)-Epicatechin|epi-Catechin|epi-Catechol|L-Epicatechin"	"C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O"	"PFTAWBLQPZVEMU-UKRRQHHQSA-N"	"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1"	""	""	""
"12462"	"epicatechin gallate"	""	"Natural product"	""	""	""	""	"479821252"	"107905"	""	""	"CHEMBL36327"	""	""	""	""	""	""	"(-)-Epicatechin gallate|(-)-Epicatechin-3-O-gallate|epicatechin monogallate|L-Epicatechin gallate"	"C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O"	"LSHVYAFMTMFKBA-TZIWHRDSSA-N"	"InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1"	""	""	""
"10804"	"epicillin"	""	"Synthetic organic"	""	""	""	""	"405560245"	"71392"	""	""	"CHEMBL2104266"	""	""	""	""	"(2S,5R,6R)-6-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"epicillin"	"Dexacillin&reg;|SQ 11302|SQ-11302|SQ11302"	"N[C@H](C1=CCC=CC1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C"	"RPBAFSBGYDKNRG-NJBDSQKTSA-N"	"InChI=1S/C16H21N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-4,7,9-11,14H,5-6,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1"	""	""	"yes"
"12461"	"epigallocatechin"	""	"Natural product"	""	""	""	""	"479821251"	"72277"	""	""	"CHEMBL47386"	""	""	""	""	"(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol"	""	"(-)-EGC|(-)-Epigallocatechin"	"C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O"	"XMOCLSLCDHWDHP-IUODEOHRSA-N"	"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1"	""	""	""
"7002"	"epigallocatechin-3-gallate"	""	"Natural product"	""	""	""	""	"178103581"	"65064"	""	""	"CHEMBL297453"	""	""	""	""	"(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate"	""	"EGCG|epigallocatechin gallate"	"Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O"	"WMBWREPUVVBILR-WIYYLYMNSA-N"	"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1"	""	""	"yes"
"4917"	"epigen"	"Human"	"Peptide"	""	""	""	""	"178101616"	"0"	"Q6UW88"	"ENSG00000182585"	""	""	""	""	""	""	""	"EPG|epithelial mitogen"	""	""	""	""	""	""
"7176"	"epinastine"	""	"Synthetic organic"	"yes"	""	""	""	"178103751"	"3241"	""	""	"CHEMBL1106"	""	""	""	""	""	"epinastine"	"Elestat&reg;|epinastine hydrochloride"	"N=C1NCC2N1c1ccccc1Cc1c2cccc1"	"WHWZLSFABNNENI-UHFFFAOYSA-N"	"InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)"	"yes"	""	""
"4188"	"epipregnanolone sulphate"	""	"Metabolite"	""	""	""	""	"178101006"	"73755084"	""	""	""	""	""	""	""	"[(2S,5S,7R,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxidanesulfonic acid"	""	"epipregnanolone sulfate"	"CC(=O)C1CCC2[C@]1(C)CCC1C2CC[C@H]2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)O"	"MENQCIVHHONJLU-ACWDEBGSSA-N"	"InChI=1S/C21H34O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H,23,24,25)/t14-,15+,16?,17?,18?,19?,20+,21-/m1/s1"	""	""	""
"4918"	"epiregulin"	"Human"	"Peptide"	""	""	""	""	"178101617"	"0"	"O14944"	"ENSG00000124882"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"12327"	"epiroprim"	""	"Synthetic organic"	""	""	""	""	"479821118"	"68916"	""	""	"CHEMBL280378"	""	""	""	""	"5-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]pyrimidine-2,4-diamine"	"epiroprim"	"Ro 11-8958|TCMDC-137295"	"CCOc1cc(cc(c1n1cccc1)OCC)Cc1cnc(nc1N)N"	"NMARPFMJVCXSAV-UHFFFAOYSA-N"	"InChI=1S/C19H23N5O2/c1-3-25-15-10-13(9-14-12-22-19(21)23-18(14)20)11-16(26-4-2)17(15)24-7-5-6-8-24/h5-8,10-12H,3-4,9H2,1-2H3,(H4,20,21,22,23)"	""	""	"yes"
"11608"	"epitinib"	""	"Synthetic organic"	""	""	""	""	"442878642"	"59142777"	""	""	""	""	""	""	""	"4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide"	""	"compound 68 [WO2010002845A2]|HMPL-813|HMPL813"	"CCN1CCN(CC1)C(=O)Nc1cc2c(ncnc2cc1OC)Nc1cccc(c1)C#C"	"DQAZPZIYEOGZAF-UHFFFAOYSA-N"	"InChI=1S/C24H26N6O2/c1-4-17-7-6-8-18(13-17)27-23-19-14-21(22(32-3)15-20(19)25-16-26-23)28-24(31)30-11-9-29(5-2)10-12-30/h1,6-8,13-16H,5,9-12H2,2-3H3,(H,28,31)(H,25,26,27)"	""	""	""
"2876"	"eplerenone"	""	"Synthetic organic"	"yes"	""	""	""	"135650235"	"443872"	""	""	"CHEMBL1095097"	""	""	""	""	"methyl (1'R,2R,2'S,9'R,10'R,11'S,15'S,17'R)-2',15'-dimethyl-5,5'-dioxo-18'-oxaspiro[oxolane-2,14'-pentacyclo[8.8.0.0^{1,17}.0^{2,7}.0^{11,15}]octadecan]-6'-ene-9'-carboxylate"	"eplerenone"	"Inspra&reg;|SC-66110"	"COC(=O)[C@@H]1CC2=CC(=O)CC[C@@]2([C@@]23[C@@H]1[C@@H]1CC[C@]4([C@@]1(C)C[C@H]3O2)CCC(=O)O4)C"	"JUKPWJGBANNWMW-VWBFHTRKSA-N"	"InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1"	""	""	""
"13606"	"eplontersen"	""	"Nucleic acid"	"yes"	""	""	""	"504705425"	"0"	""	""	"CHEMBL4594334"	""	""	""	""	""	"eplontersen"	"AKCEA-TTR-LRx|Ionis-TTR-LRx|Wainua&reg;|Wainzua&reg;"	""	""	""	""	""	""
"13600"	"epothilone B"	""	"Natural product"	""	""	""	""	"504705419"	"448013"	""	""	"CHEMBL94657"	""	""	""	""	"(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione"	"patupilone"	"EPO-906|EPO906|patupilone"	"C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C"	"QXRSDHAAWVKZLJ-PVYNADRNSA-N"	"InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1"	""	""	""
"5457"	"EPPTB"	""	"Synthetic organic"	""	""	""	""	"178102107"	"25175634"	""	""	"CHEMBL1669669"	""	""	""	""	"N-(3-ethoxyphenyl)-4-(pyrrolidin-1-yl)-3-(trifluoromethyl)benzamide"	""	"Ro 5212773|Ro-5212773|Ro5212773"	"CCOc1cccc(c1)NC(=O)c1ccc(c(c1)C(F)(F)F)N1CCCC1"	"KLFVWQCQUXXLOU-UHFFFAOYSA-N"	"InChI=1S/C20H21F3N2O2/c1-2-27-16-7-5-6-15(13-16)24-19(26)14-8-9-18(25-10-3-4-11-25)17(12-14)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26)"	""	""	""
"8088"	"epratuzumab"	""	"Antibody"	""	""	""	""	"249565768"	"0"	""	""	""	""	""	""	""	""	"epratuzumab"	"90Y-DOTA-hLL2|90Y-epratuzumab tetraxetan|90Y-hLL2|AMG-412|IMMU-hLL2|LymphoCide&reg; (proposed proprietary name)"	""	""	""	"yes"	""	""
"588"	"eprosartan"	""	"Synthetic organic"	"yes"	""	""	""	"135650236"	"5281037"	""	""	"CHEMBL813"	""	""	""	""	"4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid"	"eprosartan"	"Eprozar&reg;|SK-108566|Teveten&reg;"	"CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1"	"OROAFUQRIXKEMV-LDADJPATSA-N"	"InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+"	""	""	""
"6585"	"eptifibatide"	""	"Synthetic organic"	"yes"	""	""	""	"178103198"	"448812"	""	""	"CHEMBL1174"	""	""	""	""	"2-[(3R,11S,17S,20S,25aS)-11-(4-carbamimidamidobutyl)-3-carbamoyl-20-(indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxo-docosahydro-1H-pyrrolo[2,1-g]1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosan-17-yl]acetic acid"	"eptifibatide"	"C68-22|Eptifibatide Accord (generic)|Integrelin&reg;"	"OC(=O)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCCNC(=N)N)NC(=O)CCSSC[C@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)Cc1c[nH]c3c1cccc3)CCC2)C(=O)N"	"CZKPOZZJODAYPZ-LROMGURASA-N"	"InChI=1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-2,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)/t22-,23-,24-,25-,26-/m0/s1"	""	""	""
"10694"	"eptinezumab"	""	"Antibody"	"yes"	""	""	""	"404859141"	"0"	""	""	""	""	""	""	""	""	"eptinezumab"	"ALD-403|ALD403|eptinezumab-jjmr|Vyepti&reg;"	""	""	""	""	""	""
"7377"	"EPZ004777"	""	"Synthetic organic"	""	""	""	""	"178103949"	"56962336"	""	""	"CHEMBL2169919"	""	""	""	""	"3-[3-({[(2R,3S,4R,5R)-5-{4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-3,4-dihydroxyoxolan-2-yl]methyl}(propan-2-yl)amino)propyl]-1-(4-tert-butylphenyl)urea"	""	"EPZ 004777|EPZ-004777"	"O=C(Nc1ccc(cc1)C(C)(C)C)NCCCN(C(C)C)C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc2c1ncnc2N"	"WXRGFPHDRFQODR-ICLZECGLSA-N"	"InChI=1S/C28H41N7O4/c1-17(2)34(13-6-12-30-27(38)33-19-9-7-18(8-10-19)28(3,4)5)15-21-22(36)23(37)26(39-21)35-14-11-20-24(29)31-16-32-25(20)35/h7-11,14,16-17,21-23,26,36-37H,6,12-13,15H2,1-5H3,(H2,29,31,32)(H2,30,33,38)/t21-,22-,23-,26-/m1/s1"	""	""	""
"8387"	"EPZ005687"	""	"Synthetic organic"	""	""	""	""	"252166598"	"60160561"	""	""	""	""	""	""	""	"1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide"	""	"EPZ 005687|EPZ-005687"	"O=C(c1cc(cc2c1cnn2C1CCCC1)c1ccc(cc1)CN1CCOCC1)NCc1c(C)cc([nH]c1=O)C"	"ZOIBZSZLMJDVDQ-UHFFFAOYSA-N"	"InChI=1S/C32H37N5O3/c1-21-15-22(2)35-32(39)28(21)18-33-31(38)27-16-25(17-30-29(27)19-34-37(30)26-5-3-4-6-26)24-9-7-23(8-10-24)20-36-11-13-40-14-12-36/h7-10,15-17,19,26H,3-6,11-14,18,20H2,1-2H3,(H,33,38)(H,35,39)"	""	""	""
"9273"	"EPZ011989"	""	"Synthetic organic"	""	""	""	""	"315661348"	"73670548"	""	""	""	""	""	""	""	"N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide"	""	""	"COCCN(C1CCC(CC1)N(c1cc(C#CCN2CCOCC2)cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)CC)C"	"XQFINGFCBFHOPE-UHFFFAOYSA-N"	"InChI=1S/C35H51N5O4/c1-7-40(30-12-10-29(11-13-30)38(5)15-18-43-6)33-23-28(9-8-14-39-16-19-44-20-17-39)22-31(27(33)4)34(41)36-24-32-25(2)21-26(3)37-35(32)42/h21-23,29-30H,7,10-20,24H2,1-6H3,(H,36,41)(H,37,42)"	""	""	""
"8287"	"EPZ015666"	""	"Synthetic organic"	""	""	""	""	"252166499"	"90241673"	""	""	""	""	""	""	""	"N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide"	""	"EPZ 015666|EPZ-015666"	"O[C@H](CN1CCc2c(C1)cccc2)CNC(=O)c1ncnc(c1)NC1COC1"	"ZKXZLIFRWWKZRY-KRWDZBQOSA-N"	"InChI=1S/C20H25N5O3/c26-17(10-25-6-5-14-3-1-2-4-15(14)9-25)8-21-20(27)18-7-19(23-13-22-18)24-16-11-28-12-16/h1-4,7,13,16-17,26H,5-6,8-12H2,(H,21,27)(H,22,23,24)/t17-/m0/s1"	""	""	""
"9243"	"EPZ020411"	""	"Synthetic organic"	""	""	""	""	"315661318"	"91668547"	""	""	""	""	""	""	""	"N,N'-dimethyl-N'-[[5-[4-[3-[2-(oxan-4-yl)ethoxy]cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine"	""	""	"CNCCN(Cc1cn[nH]c1c1ccc(cc1)OC1CC(C1)OCCC1CCOCC1)C"	"QMDKVNSQXPVCRD-UHFFFAOYSA-N"	"InChI=1S/C25H38N4O3/c1-26-10-11-29(2)18-21-17-27-28-25(21)20-3-5-22(6-4-20)32-24-15-23(16-24)31-14-9-19-7-12-30-13-8-19/h3-6,17,19,23-24,26H,7-16,18H2,1-2H3,(H,27,28)"	""	""	""
"13978"	"EPZ031686"	""	"Synthetic organic"	""	""	""	""	"518520605"	"118946372"	""	""	"CHEMBL3798741"	""	""	""	""	"6-chloro-2-oxo-N-[(1S,5R)-8-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide"	""	"EPZ-031686"	"C1C[C@H]2CC(C[C@@H]1N2S(=O)(=O)CC3CCN(CC3)CCCC(F)(F)F)NC(=O)C4=C(C=C5C(=C4)CC(=O)N5)Cl"	"OTEIUEJPHNOGBG-IHWFROFDSA-N"	"InChI=1S/C26H34ClF3N4O4S/c27-22-14-23-17(11-24(35)32-23)10-21(22)25(36)31-18-12-19-2-3-20(13-18)34(19)39(37,38)15-16-4-8-33(9-5-16)7-1-6-26(28,29)30/h10,14,16,18-20H,1-9,11-13,15H2,(H,31,36)(H,32,35)/t18?,19-,20+"	""	""	""
"9611"	"ER-27319"	""	"Synthetic organic"	""	""	""	""	"340590241"	"9799509"	""	""	"CHEMBL1375018"	""	""	""	""	"10-(3-aminopropyl)-3,4-dimethylacridin-9-one"	""	""	"NCCCn1c2ccccc2c(=O)c2c1c(C)c(C)cc2"	"CFPDEQBPNROZDC-UHFFFAOYSA-N"	"InChI=1S/C18H20N2O/c1-12-8-9-15-17(13(12)2)20(11-5-10-19)16-7-4-3-6-14(16)18(15)21/h3-4,6-9H,5,10-11,19H2,1-2H3"	"yes"	""	""
"4040"	"ER819762"	""	"Synthetic organic"	""	""	""	""	"178100864"	"42596951"	""	""	""	""	""	""	""	"(5S)-1'-[(3,5-dimethylphenyl)methyl]-2-ethyl-6,8-dimethoxy-5-methylspiro[5,10-dihydroimidazo[1,5-b][2]benzazepine-3,4'-piperidine]-1-one"	""	"ER 819762|ER-819762"	"CCN1C(=O)N2C(=C[C@@H](c3c(C2)cc(OC)cc3OC)C)C21CCN(CC2)Cc1cc(C)cc(c1)C"	"ANKFBAJRCGOKJJ-QFIPXVFZSA-N"	"InChI=1S/C30H39N3O3/c1-7-33-29(34)32-19-24-16-25(35-5)17-26(36-6)28(24)22(4)15-27(32)30(33)8-10-31(11-9-30)18-23-13-20(2)12-21(3)14-23/h12-17,22H,7-11,18-19H2,1-6H3/t22-/m0/s1"	""	""	""
"12988"	"ERAS-5024"	""	"Synthetic organic"	""	""	""	""	"485206109"	"164904685"	""	""	""	""	""	""	""	"2-amino-4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile"	""	"compound 14 [PMID: 37849557]|ERAS5024"	"NC1=C(C#N)C2=C(C=CC(F)=C2S1)C3=C(F)C4=NC(OC[C@@]56CCCN5C[C@H](F)C6)=NC(N7CC8CCC(C7)N8)=C4C=C3C(F)(F)F"	"KFVWCOMHUKVKIB-LDKIVBMGSA-N"	"InChI=1S/C32H29F6N7OS/c33-15-9-31(6-1-7-45(31)11-15)14-46-30-42-26-19(29(43-30)44-12-16-2-3-17(13-44)41-16)8-21(32(36,37)38)24(25(26)35)18-4-5-22(34)27-23(18)20(10-39)28(40)47-27/h4-5,8,15-17,41H,1-3,6-7,9,11-14,40H2/t15-,16?,17?,31+/m1/s1"	""	""	""
"14070"	"eratrectinib"	""	"Synthetic organic"	""	""	""	""	"518520697"	"146271223"	""	""	""	""	""	""	""	""	"eratrectinib"	"Example 1 [WO2019233461]|VC-004|VC004"	"[H][C@]12CCCN1C3=NC4=C(C=NN4C=C3)C(=O)NN(CCC5=C2C=C(F)C=N5)C6CC6"	"URXMBXJZRCIDQB-GOSISDBHSA-N"	"InChI=1S/C21H22FN7O/c22-13-10-15-17(23-11-13)5-8-28(14-3-4-14)26-21(30)16-12-24-29-9-6-19(25-20(16)29)27-7-1-2-18(15)27/h6,9-12,14,18H,1-5,7-8H2,(H,26,30)/t18-/m1/s1"	""	""	""
"10805"	"eravacycline"	""	"Synthetic organic"	"yes"	""	""	""	"405560246"	"54726192"	""	""	"CHEMBL1951095"	""	""	""	""	"(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(2-pyrrolidin-1-ylacetyl)amino]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide"	"eravacycline"	"compound 17j [PMID: 2148514]|TP-434|TP434|Xerava&reg;"	"O=C(Nc1cc(F)c2c(c1O)C(=C1[C@@H](C2)C[C@@H]2[C@@](C1=O)(O)C(=C(C(=O)[C@H]2N(C)C)C(=O)N)O)O)CN1CCCC1"	"AKLMFDDQCHURPW-ISIOAQNYSA-N"	"InChI=1S/C27H31FN4O8/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39/h9,11,13,20,34-35,38,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33)/t11-,13-,20-,27-/m0/s1"	""	""	"yes"
"10565"	"ERD-308"	""	"Synthetic organic"	""	""	""	""	"404859012"	"138454799"	""	""	""	""	""	""	""	"(2S,4R)-1-[(2S)-2-[[2-[5-[ethyl-[2-[4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]phenoxy]ethyl]amino]pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide"	""	"compound 32 [PMID: 30990042]|ERD308"	"CCN(CCOc1ccc(cc1)C(=O)c1c(sc2c1ccc(c2)O)c1ccc(cc1)O)CCCCCOCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C)O"	"BQXUPNKLZNSUMC-YUQWMIPFSA-N"	"InChI=1S/C55H65N5O9S2/c1-7-59(26-28-69-43-22-17-37(18-23-43)49(65)48-44-24-21-41(62)30-46(44)71-51(48)39-15-19-40(61)20-16-39)25-9-8-10-27-68-32-47(64)58-52(55(4,5)6)54(67)60-31-42(63)29-45(60)53(66)57-34(2)36-11-13-38(14-12-36)50-35(3)56-33-70-50/h11-24,30,33-34,42,45,52,61-63H,7-10,25-29,31-32H2,1-6H3,(H,57,66)(H,58,64)/t34-,42+,45-,52+/m0/s1"	""	""	""
"13249"	"ERD-3111"	""	"Synthetic organic"	""	""	""	""	"491300031"	"164924072"	""	""	""	""	""	""	""	"6-[2-[9-[4-[(6S,8R)-7-(2,2-difluoroethyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3,5-difluorophenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione"	""	"compound 44 [PMID: 37647546]|ERD3111"	"C[C@@H]1CC2=C(C=CC3=C2C=NN3)[C@H](N1CC(F)F)C4=C(C=C(C=C4F)N5CCC6(CC5)CCN(CC6)C(=O)CN7CC8=CC9=C(C=C8C7)C(=O)N(C9=O)C%10CCC(=O)NC%10=O)F"	"RASJDLFEGKXLIV-LQFKIQTBSA-N"	"InChI=1S/C45H46F4N8O5/c1-24-14-29-28(2-3-35-32(29)19-50-52-35)41(56(24)22-37(48)49)40-33(46)17-27(18-34(40)47)54-10-6-45(7-11-54)8-12-55(13-9-45)39(59)23-53-20-25-15-30-31(16-26(25)21-53)44(62)57(43(30)61)36-4-5-38(58)51-42(36)60/h2-3,15-19,24,36-37,41H,4-14,20-23H2,1H3,(H,50,52)(H,51,58,60)/t24-,36?,41+/m1/s1"	""	""	""
"9039"	"erdafitinib"	""	"Synthetic organic"	"yes"	""	""	""	"315661124"	"67462786"	""	""	""	""	""	""	""	"N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine"	"erdafitinib"	"Balversa&reg;|compound 4 [WO2011135376]|JNJ 42756493|JNJ-42756493|JNJ42756493"	"COc1cc(OC)cc(c1)N(c1ccc2c(c1)nc(cn2)c1cnn(c1)C)CCNC(C)C"	"OLAHOMJCDNXHFI-UHFFFAOYSA-N"	"InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3"	""	""	""
"10959"	"eremomycin"	""	"Natural product"	""	""	""	""	"405560400"	"122131"	""	""	"CHEMBL411769"	""	""	""	""	""	""	"A82846A"	"OC[C@H]1O[C@@H](Oc2c3Oc4ccc(cc4)[C@@H](O[C@@H]4O[C@@H](C)[C@@H]([C@@](C4)(C)N)O)[C@@H]4NC(=O)[C@H](NC(=O)[C@H]5c(c3)cc2Oc2ccc(cc2Cl)[C@@H](O)[C@H](C(=O)N[C@H](C(=O)N5)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)c2ccc(c(c2)c2c([C@H](NC4=O)C(=O)O)cc(cc2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@](C1)(C)N)O"	"UECIPBUIMXSXEI-BNSVOVDNSA-N"	"InChI=1S/C73H89ClN10O26/c1-27(2)16-39(78-7)64(95)83-54-56(90)32-11-15-43(38(74)18-32)106-45-20-33-19-44(60(45)110-71-61(58(92)57(91)46(26-85)107-71)109-49-25-73(6,77)63(94)29(4)104-49)105-35-12-8-30(9-13-35)59(108-48-24-72(5,76)62(93)28(3)103-48)55-69(100)82-53(70(101)102)37-21-34(86)22-42(88)50(37)36-17-31(10-14-41(36)87)51(66(97)84-55)81-67(98)52(33)80-65(96)40(23-47(75)89)79-68(54)99/h8-15,17-22,27-29,39-40,46,48-49,51-59,61-63,71,78,85-88,90-94H,16,23-26,76-77H2,1-7H3,(H2,75,89)(H,79,99)(H,80,96)(H,81,98)(H,82,100)(H,83,95)(H,84,97)(H,101,102)/t28-,29-,39+,40-,46+,48-,49-,51+,52+,53-,54+,55-,56+,57+,58-,59+,61+,62-,63-,71-,72-,73-/m0/s1"	""	""	"yes"
"9250"	"erenumab"	""	"Antibody"	"yes"	""	""	""	"315661325"	"0"	""	""	""	""	""	""	""	""	"erenumab"	"Aimovig&reg;|AMG 334|AMG-334|erenumab-aooe"	""	""	""	""	""	""
"148"	"ergometrine"	""	"Synthetic organic"	"yes"	""	""	""	"135650238"	"443884"	""	""	"CHEMBL119443"	""	""	""	""	"(6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide"	"ergometrine"	"ergonovine|Ergotrate&reg;|Methergine&reg;"	"OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C"	"WVVSZNPYNCNODU-XTQGRXLLSA-N"	"InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1"	""	""	""
"149"	"ergotamine"	""	"Synthetic organic"	"yes"	""	""	""	"135650239"	"8223"	""	""	"CHEMBL442"	""	""	""	""	"(4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide"	"ergotamine"	"Cafergot&reg;|Ergomar&reg;"	"O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O"	"XCGSFFUVFURLIX-VFGNJEKYSA-N"	"InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1"	""	""	""
"2612"	"ErgTx-1"	""	"Peptide"	""	""	""	""	"135652149"	"0"	"Q86QT3"	""	""	""	""	""	""	""	""	"CnErg1|CnErgTx1|ergtoxin|ergtoxin-like protein 1|ErgTx|ErgTx1|potassium channel toxin gamma-KTx 1.1"	""	""	""	""	""	""
"13781"	"erianin"	""	"Natural product"	""	""	""	""	"507750414"	"356759"	""	""	"CHEMBL10557"	""	""	""	""	"2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol"	""	""	"COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)O"	"UXDFUVFNIAJEGM-UHFFFAOYSA-N"	"InChI=1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3"	""	""	""
"7408"	"eribaxaban"	""	"Synthetic organic"	""	""	""	""	"178103980"	"11634458"	""	""	"CHEMBL476186"	""	""	""	""	"(2R,4R)-N-(4-chlorophenyl)-N'-[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide"	"eribaxaban"	"PD-0348292"	"CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(cc1)Cl)C(=O)Nc1ccc(cc1F)n1ccccc1=O"	"QQBKAVAGLMGMHI-WIYYLYMNSA-N"	"InChI=1S/C24H22ClFN4O4/c1-34-18-13-21(30(14-18)24(33)27-16-7-5-15(25)6-8-16)23(32)28-20-10-9-17(12-19(20)26)29-11-3-2-4-22(29)31/h2-12,18,21H,13-14H2,1H3,(H,27,33)(H,28,32)/t18-,21-/m1/s1"	""	""	""
"6813"	"eribulin"	""	"Synthetic organic"	"yes"	""	""	""	"178103419"	"11354606"	""	""	"CHEMBL1683590"	""	""	""	""	""	"eribulin"	"E7389|ER 086526|Halaven&reg;|NSC-707389"	"NC[C@H](C[C@H]1O[C@@H]2[C@@H]([C@H]1OC)CC(=O)C[C@H]1CC[C@H]3[C@H](O1)[C@@H]1O[C@]4(CC[C@@H]5O[C@@H](CC[C@@H]6O[C@H](C2)C(=C)[C@@H](C6)C)C(=C)C5)O[C@@H]2[C@H](O3)[C@H]1O[C@@H]2C4)O"	"UFNVPOGXISZXJD-JBQZKEIOSA-N"	"InChI=1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1"	""	""	""
"12442"	"(+/-)-Eriodictyol"	""	"Natural product"	""	""	""	""	"479821232"	"11095"	""	""	"CHEMBL307893"	""	""	""	""	""	""	""	"C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O"	"SBHXYTNGIZCORC-UHFFFAOYSA-N"	"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2"	""	""	""
"12443"	"eriodictyol chalcone"	""	"Natural product"	""	""	""	""	"479821233"	"5461154"	""	""	"CHEMBL127409"	""	""	""	""	"(E)-3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one"	""	"2',3,4,4',6'-Pentahydroxychalcone|Eriodictyolchalcone"	"C1=CC(=C(C=C1/C=C/C(=O)C2=C(C=C(C=C2O)O)O)O)O"	"CRBYNQCDRNZCNX-DUXPYHPUSA-N"	"InChI=1S/C15H12O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1-7,16-17,19-21H/b4-2+"	""	""	""
"4919"	"eritoran"	""	"Synthetic organic"	""	""	""	""	"178101618"	"6912404"	""	""	"CHEMBL501259"	""	""	""	""	"[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6R)-4-decoxy-3-hydroxy-5-(3-oxotetradecanoylamino)-6-phosphonooxyoxan-2-yl]methoxy]-4-[(3R)-3-methoxydecoxy]-2-(methoxymethyl)-5-[[(Z)-octadec-11-enoyl]amino]oxan-3-yl] dihydrogen phosphate"	"eritoran"	"B1287|E5564"	"CCCCCCCCCCO[C@H]1[C@H](O)[C@@H](CO[C@@H]2O[C@H](COC)[C@H]([C@@H]([C@H]2NC(=O)CCCCCCCCC/C=C\CCCCCC)OCC[C@@H](CCCCCCC)OC)OP(=O)(O)O)O[C@@H]([C@@H]1NC(=O)CC(=O)CCCCCCCCCCC)OP(=O)(O)O"	"BPSMYQFMCXXNPC-MFCPCZTFSA-N"	"InChI=1S/C66H126N2O19P2/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78)/b26-25-/t54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1"	""	""	""
"5966"	"ERK inhibitor II"	""	"Synthetic organic"	""	""	""	""	"178102589"	"11493598"	""	""	"CHEMBL259551"	""	""	""	""	"5-{2-phenylpyrazolo[1,5-a]pyridin-3-yl}-2H-pyrazolo[3,4-c]pyridazin-3-amine"	""	"FR-180204|FR180204"	"Nc1[nH]nc2c1cc(nn2)c1c(nn2c1cccc2)c1ccccc1"	"XVECMUKVOMUNLE-UHFFFAOYSA-N"	"InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)"	""	""	""
"5968"	"ERK inhibitor III"	""	"Synthetic organic"	""	""	""	""	"178102591"	"5339183"	""	""	"CHEMBL221271"	""	""	""	""	"1-nitro-2-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]guanidine"	""	""	"[O-][N+](=O)N/C(=N/N=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/N"	"RODAAYVFYDKHGT-AUWJEWJLSA-N"	"InChI=1S/C12H10N6O5/c13-12(16-18(21)22)15-14-7-10-4-5-11(23-10)8-2-1-3-9(6-8)17(19)20/h1-7H,(H3,13,15,16)/b14-7-"	""	""	""
"5967"	"ERK inhibitor II, negative control"	""	"Synthetic organic"	""	""	""	""	"178102590"	"16760417"	""	""	"CHEMBL2218938"	""	""	""	""	"5-{2-phenylpyrazolo[1,5-a]pyridin-3-yl}-1H,2H,3H-pyrazolo[3,4-c]pyridazin-3-one"	""	"HMS3229G08"	"O=c1[nH][nH]c2c1cc(nn2)c1c(nn2c1cccc2)c1ccccc1"	"QMBDONCHHMIWFJ-UHFFFAOYSA-N"	"InChI=1S/C18H12N6O/c25-18-12-10-13(19-20-17(12)21-22-18)15-14-8-4-5-9-24(14)23-16(15)11-6-2-1-3-7-11/h1-10H,(H2,20,21,22,25)"	""	""	""
"4920"	"erlotinib"	""	"Synthetic organic"	"yes"	""	""	""	"178101619"	"176870"	""	""	"CHEMBL553"	""	""	""	""	"N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine"	"erlotinib"	"NSC 718781|OSI 744|OSI-774|R 1415|Tarceva&reg;"	"COCCOc1cc2c(ncnc2cc1OCCOC)Nc1cccc(c1)C#C"	"AAKJLRGGTJKAMG-UHFFFAOYSA-N"	"InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)"	""	""	""
"13693"	"ErSO-TFPy"	""	"Synthetic organic"	""	""	""	""	"507750327"	"168278427"	""	""	"CHEMBL5182714"	""	""	""	""	"(3R)-3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-7-(trifluoromethyl)-1H-indol-2-one"	""	"compound (R)-26 [PMID: 35080871]"	"OC1=CC=C(C=C1)[C@]2(N3CC(F)(F)C(F)(F)C3)C(=O)NC4=C2C=CC=C4C(F)(F)F"	"PSTKCYQKNLKUBN-GOSISDBHSA-N"	"InChI=1S/C19H13F7N2O2/c20-16(21)8-28(9-17(16,22)23)18(10-4-6-11(29)7-5-10)12-2-1-3-13(19(24,25)26)14(12)27-15(18)30/h1-7,29H,8-9H2,(H,27,30)/t18-/m1/s1"	""	""	""
"10906"	"ertapenem"	""	"Synthetic organic"	"yes"	""	""	""	"405560347"	"150610"	""	""	"CHEMBL1359"	""	""	""	""	"(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	"ertapenem"	"Invanz&reg;|L-749345|MK-0826|MK-826"	"O=C([C@H]1NC[C@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)Nc1cccc(c1)C(=O)O"	"JUZNIMUFDBIJCM-ANEDZVCMSA-N"	"InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1"	""	""	"yes"
"8376"	"ertugliflozin"	""	"Synthetic organic"	"yes"	""	""	""	"252166588"	"44814423"	""	""	"CHEMBL1770248"	""	""	""	""	"(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol"	"ertugliflozin"	"MK-8835|PF-04971729|Steglatro&reg;"	"CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@]12OC[C@@](O1)(CO)[C@H]([C@@H]([C@H]2O)O)O"	"MCIACXAZCBVDEE-CUUWFGFTSA-N"	"InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1"	""	""	""
"13954"	"erucamide"	""	"Natural product"	""	""	""	""	"513757639"	"5365371"	""	""	"CHEMBL1232565"	""	""	""	""	"(Z)-Docos-13-enamide"	""	""	"CCCCCCCC/C=C\CCCCCCCCCCCC(=O)N"	"UAUDZVJPLUQNMU-KTKRTIGZSA-N"	"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-"	""	""	"yes"
"12241"	"ervogastat"	""	"Synthetic organic"	""	""	""	""	"473153829"	"134262752"	""	""	"CHEMBL4760665"	""	""	""	""	"2-[5-(3-ethoxypyridin-2-yl)oxypyridin-3-yl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide"	"ervogastat"	"compound 6 [PMID: 34635855]|PF-06865571|PF06865571"	"CCOc1cccnc1Oc1cncc(c1)c1ncc(cn1)C(=O)N[C@H]1CCOC1"	"UKBQFBRPXKGJPY-INIZCTEOSA-N"	"InChI=1S/C21H21N5O4/c1-2-29-18-4-3-6-23-21(18)30-17-8-14(9-22-12-17)19-24-10-15(11-25-19)20(27)26-16-5-7-28-13-16/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,26,27)/t16-/m0/s1"	""	""	""
"10048"	"ERW1041E"	""	"Synthetic organic"	""	""	""	""	"375973236"	"16094751"	""	""	"CHEMBL219514"	""	""	""	""	"quinolin-3-ylmethyl (2S)-2-[[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate"	""	""	"O=C([C@@H]1CCCN1C(=O)OCc1cnc2c(c1)cccc2)NC[C@H]1ON=C(C1)Br"	"FDWIPZHANLQVMF-RDJZCZTQSA-N"	"InChI=1S/C20H21BrN4O4/c21-18-9-15(29-24-18)11-23-19(26)17-6-3-7-25(17)20(27)28-12-13-8-14-4-1-2-5-16(14)22-10-13/h1-2,4-5,8,10,15,17H,3,6-7,9,11-12H2,(H,23,26)/t15-,17-/m0/s1"	""	""	""
"1456"	"erythromycin"	""	"Natural product"	"yes"	""	""	""	"135652682"	"12560"	""	""	"CHEMBL532"	""	""	""	""	"(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione"	"erythromycin"	"E-Mycin&reg;|EM-A|Erythrocin&reg;|erythromycin-A"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O"	"ULGZDMOVFRHVEP-RWJQBGPGSA-N"	"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1"	""	""	"yes"
"4921"	"erythropoietin"	"Human"	"Peptide"	"yes"	""	""	""	"178101620"	"0"	"P01588"	"ENSG00000130427"	"CHEMBL1201565"	""	""	""	""	""	"epoetin alfa"	"Epogen&reg;|Procrit&reg;"	""	""	""	""	""	""
"9894"	"esaxerenone"	""	"Synthetic organic"	"yes"	""	""	""	"363894188"	"25052023"	""	""	"CHEMBL2181932"	""	""	""	""	"1-(2-hydroxyethyl)-4-methyl-N-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide"	"esaxerenone"	"CS-3150|XL-550"	"OCCn1cc(c(c1c1ccccc1C(F)(F)F)C)C(=O)Nc1ccc(cc1)S(=O)(=O)C"	"NOSNHVJANRODGR-UHFFFAOYSA-N"	"InChI=1S/C22H21F3N2O4S/c1-14-18(21(29)26-15-7-9-16(10-8-15)32(2,30)31)13-27(11-12-28)20(14)17-5-3-4-6-19(17)22(23,24)25/h3-10,13,28H,11-12H2,1-2H3,(H,26,29)"	""	""	""
"14008"	"escin"	""	"Natural product"	""	""	""	""	"518520635"	"176516515"	""	""	""	""	""	""	""	""	""	"aescin"	"C/C=C(/C)\C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(CO)[C@H](O)C[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(O)=O)[C@](C)(CO)C5CC[C@@]34C)C2CC1(C)C"	"MZYGIFKFDNOYEN-GGONRZKLSA-N"	"InChI=1S/C55H88O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10,25-44,47-49,56-59,61-68H,11-22H2,1-9H3,(H,69,70)/b23-10-/t25?,26?,27-,28-,29?,30?,31-,32+,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43+,44+,47+,48+,49-,51+,52-,53-,54-,55+/m1/s1"	""	""	""
"7177"	"escitalopram"	""	"Synthetic organic"	"yes"	""	""	""	"178103752"	"146570"	""	""	"CHEMBL1508"	""	""	""	""	"(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile"	"escitalopram"	"Cipralex&reg;|Lexapro&reg;|LU-26-054-0"	"N#Cc1ccc2c(c1)CO[C@@]2(CCCN(C)C)c1ccc(cc1)F"	"WSEQXVZVJXJVFP-FQEVSTJZSA-N"	"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1"	""	""	""
"5180"	"esculetin"	""	"Natural product"	""	""	""	""	"178101870"	"5281416"	""	""	"CHEMBL244743"	""	""	""	""	"6,7-dihydroxy-2H-chromen-2-one"	""	"6,7-dihydroxycoumarin|aesculetin|cichorigenin"	"O=c1ccc2c(o1)cc(c(c2)O)O"	"ILEDWLMCKZNDJK-UHFFFAOYSA-N"	"InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H"	""	""	""
"9420"	"esflurbiprofen"	""	"Synthetic organic"	"yes"	""	""	""	"328083520"	"72099"	""	""	"CHEMBL435298"	""	""	""	""	"(2S)-2-(3-fluoro-4-phenylphenyl)propanoic acid"	"esflurbiprofen"	"(S)-flurbiprofen|BTS-24332|SFPP|TT-063"	"OC(=O)[C@H](c1ccc(c(c1)F)c1ccccc1)C"	"SYTBZMRGLBWNTM-JTQLQIEISA-N"	"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1"	"yes"	""	""
"7917"	"ESI-09"	""	"Synthetic organic"	""	""	""	""	"249565600"	"6077765"	""	""	"CHEMBL3260990"	""	""	""	""	"3-(5-tert-butylisoxazol-3-yl)-2-[(3-chlorophenyl)-hydrazono]-3-oxo-propionitrile"	""	"ESI 09|ESI09"	"N#C/C(=N\Nc1cccc(c1)Cl)/C(=O)c1noc(c1)C(C)(C)C"	"DXEATJQGQHDURZ-DEDYPNTBSA-N"	"InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+"	""	""	""
"9152"	"esketamine"	""	"Synthetic organic"	"yes"	""	""	""	"315661237"	"182137"	""	""	"CHEMBL395091"	""	""	""	""	"(2S)-2-(2-chlorophenyl)-2-methylaminocyclohexan-1-one"	"esketamine"	"(S)-(+)-Ketamine|(S)-Ketamine|Spravato&reg;"	"CN[C@@]1(CCCCC1=O)c1ccccc1Cl"	"YQEZLKZALYSWHR-ZDUSSCGKSA-N"	"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m0/s1"	""	""	""
"7350"	"eslicarbazepine"	""	"Synthetic organic"	"yes"	""	""	""	"178103922"	"9881504"	""	""	"CHEMBL315985"	""	""	""	""	"(5S)-5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide"	"eslicarbazepine"	"Aptiom&reg;|BIA 2-194|S-licarbazepine|Zebinix&reg;"	"O[C@H]1Cc2ccccc2N(c2c1cccc2)C(=O)N"	"BMPDWHIDQYTSHX-AWEZNQCLSA-N"	"InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/t14-/m0/s1"	""	""	""
"7178"	"esmolol"	""	"Synthetic organic"	"yes"	""	""	""	"178103753"	"59768"	""	""	"CHEMBL768"	""	""	""	""	"methyl 3-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)propanoate"	"esmolol"	"Brevibloc&reg;|SL-8052"	"COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O"	"AQNDDEOPVVGCPG-UHFFFAOYSA-N"	"InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3"	""	""	""
"5488"	"esomeprazole"	""	"Synthetic organic"	"yes"	""	""	""	"178102135"	"9568614"	""	""	"CHEMBL1201320"	""	""	""	""	"6-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole"	"esomeprazole"	"(S)-omeprazole|Nexium&reg;"	"COc1ccc2c(c1)[nH]c(n2)[S@@](=O)Cc1ncc(c(c1C)OC)C"	"SUBDBMMJDZJVOS-DEOSSOPVSA-N"	"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1"	""	""	""
"127"	"espindolol"	""	"Synthetic organic"	""	""	""	""	"135650828"	"688095"	""	""	"CHEMBL117405"	""	""	""	""	"(2S)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol"	"espindolol"	"(-)-pindolol"	"O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C"	"JZQKKSLKJUAGIC-NSHDSACASA-N"	"InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3/t11-/m0/s1"	""	""	""
"11343"	"EST64454"	""	"Synthetic organic"	""	""	""	""	"440816712"	"54673648"	""	""	""	""	""	""	""	"1-(4-(2-((1-(3,4-difluorophenyl)-1H-pyrazol-3-yl)methoxy)ethyl)piperazin-1-yl)ethanone"	""	"compound 9k [PMID: 33237785]|EST-64454|example 39 [WO2011147910A1]"	"CC(=O)N1CCN(CC1)CCOCc1ccn(n1)c1ccc(c(c1)F)F"	"COKUNRYWXTVUAH-UHFFFAOYSA-N"	"InChI=1S/C18H22F2N4O2/c1-14(25)23-8-6-22(7-9-23)10-11-26-13-15-4-5-24(21-15)16-2-3-17(19)18(20)12-16/h2-5,12H,6-11,13H2,1H3"	""	""	""
"12777"	"EST73502"	""	"Synthetic organic"	""	""	""	""	"483123325"	"118561036"	""	""	"CHEMBL4781352"	""	""	""	""	""	""	"compound 14u [PMID: 33064947]|EST-73502"	"FC1=CC=C(F)C=C1CCN2CCC3(O[C@@H](C(N(CC)C3)=O)C)CC2"	"KALIKXMQWFLZKB-CQSZACIVSA-N"	"InChI=1S/C19H26F2N2O2/c1-3-23-13-19(25-14(2)18(23)24)7-10-22(11-8-19)9-6-15-12-16(20)4-5-17(15)21/h4-5,12,14H,3,6-11,13H2,1-2H3/t14-/m1/s1"	""	""	""
"7550"	"estazolam"	""	"Synthetic organic"	"yes"	""	""	""	"223365886"	"3261"	""	""	"CHEMBL285674"	""	""	""	""	"8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine"	"estazolam"	"D 40TA|Eurodin&reg;|ProSom&reg;"	"Clc1ccc2c(c1)C(=NCc1n2cnn1)c1ccccc1"	"CDCHDCWJMGXXRH-UHFFFAOYSA-N"	"InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2"	""	""	""
"11591"	"estetrol"	""	"Synthetic organic"	"yes"	""	""	""	"442878625"	"27125"	""	""	"CHEMBL1230314"	""	""	""	""	"(8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol"	"estetrol"	"15 &alpha;-hydroxyestriol|15 alpha-hydroxyestriol|Drovelis&reg; (EMA); ; estetrol monohydrate  + drospirenone|E4|Lydisilka&reg; (EMA); ; estetrol monohydrate  + drospirenone|Nextstellis&reg; (US); estetrol monohydrate  + drospirenone"	"Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H](O)[C@H]([C@@H]2O)O)C"	"AJIPIJNNOJSSQC-NYLIRDPKSA-N"	"InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1"	""	""	""
"11860"	"estradiol 3-methyl ether"	""	"Synthetic organic"	""	""	""	""	"461663416"	"246206"	""	""	"CHEMBL116468"	""	""	""	""	"(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol"	""	"17&beta;-estradiol methyl ether|3-Methoxyoestradiol|EDME|PRU-1"	"[C@@H]12CC[C@H](O)[C@@]1(C)CC[C@@H]1c3c(CC[C@@H]21)cc(OC)cc3"	"ULAADVBNYHGIBP-GFEQUFNTSA-N"	"InChI=1S/C19H26O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1"	""	""	""
"8802"	"estradiol disulfate"	""	"Synthetic organic"	""	""	""	""	"252827460"	"66430"	""	""	"CHEMBL1162492"	""	""	""	""	"[(8R,9S,13S,14S,17S)-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate"	""	"17beta-estradiol-3,17-disulfate|estradiol-3,17-disulfate"	"OS(=O)(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OS(=O)(=O)O)C"	"VPLAJGAMHNQZIY-ZBRFXRBCSA-N"	"InChI=1S/C18H24O8S2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24)/t14-,15-,16+,17+,18+/m1/s1"	""	""	""
"7655"	"estradiol valerate"	""	"Synthetic organic"	"yes"	""	""	""	"223365990"	"13791"	""	""	"CHEMBL1511"	""	""	""	""	"[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate"	"estradiol valerate"	"Climaval&reg;"	"CCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O"	"RSEPBGGWRJCQGY-RBRWEJTLSA-N"	"InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1"	""	""	""
"9076"	"estramustine"	""	"Synthetic organic"	"yes"	""	""	""	"315661161"	"259331"	""	""	"CHEMBL1575"	""	""	""	""	"[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate"	"estramustine"	"Emcyt&reg;|Estracyt&reg;"	"ClCCN(C(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)CCCl"	"FRPJXPJMRWBBIH-RBRWEJTLSA-N"	"InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1"	""	""	""
"2821"	"estriol"	""	"Metabolite"	"yes"	""	""	""	"135651483"	"5756"	""	""	"CHEMBL193482"	""	""	""	""	"(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16, 17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol"	""	"Trimesta&reg;"	"Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C"	"PROQIPRRNZUXQM-ZXXIGWHRSA-N"	"InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1"	""	""	""
"2818"	"estrone"	""	"Metabolite"	"yes"	""	""	""	"135651484"	"5870"	""	""	"CHEMBL1405"	""	""	""	""	"(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one"	"estrone"	"Aquest&reg;|Kestrone&reg;|oestrone"	"Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C"	"DNXHEGUUPJUMQT-CBZIJGRNSA-N"	"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1"	""	""	""
"4749"	"estrone-3-sulphate"	""	"Metabolite"	"yes"	""	""	""	"178101459"	"3001028"	""	""	"CHEMBL494753"	""	""	""	""	"[(1S,10R,11S,15S)-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl]oxidanesulfonic acid"	""	"estrone hydrogen sulfate|estrone hydrogen sulphate|estrone-3-sulfate|Ogen&reg;"	"O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)OS(=O)(=O)O"	"JKKFKPJIXZFSSB-CBZIJGRNSA-N"	"InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1"	""	""	""
"13562"	"E<sub>act</sub>"	""	"Synthetic organic"	""	""	""	""	"504705381"	"3173542"	""	""	"CHEMBL4303488"	""	""	""	""	"3,4,5-trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide"	""	"Eact"	"COCCN(C(=O)C1=CC(OC)=C(OC)C(OC)=C1)C2=NC(=CS2)C3=CC=CC=C3"	"ZUXNHFFVQWADJL-UHFFFAOYSA-N"	"InChI=1S/C22H24N2O5S/c1-26-11-10-24(22-23-17(14-30-22)15-8-6-5-7-9-15)21(25)16-12-18(27-2)20(29-4)19(13-16)28-3/h5-9,12-14H,10-11H2,1-4H3"	""	""	""
"8314"	"esuberaprost"	""	"Synthetic organic"	""	""	""	""	"252166526"	"10501053"	""	""	"CHEMBL3137314"	""	""	""	""	""	"esuberaprost"	"APS-314D free acid|BPS-314d"	"CC#CC[C@@H]([C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1c1cccc(c1O2)CCCC(=O)O)O)C"	"CTPOHARTNNSRSR-NOQAJONNSA-N"	"InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15-,17-,19+,20+,21-,23-/m0/s1"	""	""	""
"7429"	"eszopiclone"	""	"Synthetic organic"	"yes"	""	""	""	"178104001"	"969472"	""	""	"CHEMBL1522"	""	""	""	""	"[(7S)-6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate"	"eszopiclone"	"(S)-zopiclone|Lunesta&reg;"	"CN1CCN(CC1)C(=O)O[C@H]1c2nccnc2C(=O)N1c1ccc(cn1)Cl"	"GBBSUAFBMRNDJC-INIZCTEOSA-N"	"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m0/s1"	""	""	""
"2948"	"etalocib"	""	"Synthetic organic"	""	""	""	""	"178100247"	"177941"	""	""	"CHEMBL329123"	""	""	""	""	"2-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid"	"etalocib"	"LY 293111|VML 295"	"CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O"	"YFIZRWPXUYFCSN-UHFFFAOYSA-N"	"InChI=1S/C33H33FO6/c1-3-9-25-29(12-7-13-30(25)40-31-11-6-5-10-26(31)33(36)37)38-18-8-19-39-32-21-28(35)27(20-22(32)4-2)23-14-16-24(34)17-15-23/h5-7,10-17,20-21,35H,3-4,8-9,18-19H2,1-2H3,(H,36,37)"	""	""	""
"6789"	"etanercept"	""	"Peptide"	"yes"	""	""	""	"178103395"	"0"	""	""	"CHEMBL1201572"	""	""	""	""	""	"etanercept"	"Enbrel&reg;|Rhu Tnfr:Fc|TNFR-Fc|TNR 001"	""	""	""	"yes"	""	""
"6596"	"etaracizumab"	""	"Antibody"	""	""	""	""	"178103209"	"0"	""	""	""	""	""	""	""	""	"etaracizumab"	"etaratuzumab|hLM60|MEDI-522"	""	""	""	""	""	""
"11975"	"etavopivat"	""	"Synthetic organic"	""	""	""	""	"464244116"	"135338378"	""	""	"CHEMBL4650332"	""	""	""	""	""	"etavopivat"	"FT-4202|FT4202"	"C1COc2c(O1)cc(cn2)S(=O)(=O)N1CC2=C(C1)CN(C2)C(=O)[C@H](CO)c1ccccc1"	"KZFFYEPYCVDOGE-LJQANCHMSA-N"	"InChI=1S/C22H23N3O6S/c26-14-19(15-4-2-1-3-5-15)22(27)24-10-16-12-25(13-17(16)11-24)32(28,29)18-8-20-21(23-9-18)31-7-6-30-20/h1-5,8-9,19,26H,6-7,10-14H2/t19-/m1/s1"	""	""	""
"7336"	"etazolate"	""	"Synthetic organic"	""	""	""	""	"178103908"	"3277"	""	""	"CHEMBL356388"	""	""	""	""	"ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[4,5-e]pyridine-5-carboxylate"	"etazolate"	"EHT-0202|SQ 20009"	"CCOC(=O)c1cnc2c(c1NN=C(C)C)cnn2CC"	"OPQRBXUBWHDHPQ-UHFFFAOYSA-N"	"InChI=1S/C14H19N5O2/c1-5-19-13-10(8-16-19)12(18-17-9(3)4)11(7-15-13)14(20)21-6-2/h7-8H,5-6H2,1-4H3,(H,15,18)"	""	""	""
"7808"	"ET bromodomain inhibitor"	""	"Synthetic organic"	""	""	""	""	"223366139"	"86277843"	""	""	""	""	""	""	""	"methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate"	""	""	"COC(=O)[C@@H]([C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC)CC"	"WGMDCNPABCIZCD-UTKZUKDTSA-N"	"InChI=1S/C23H23ClN4O3/c1-5-17(23(29)31-4)21-22-27-26-13(2)28(22)19-11-10-16(30-3)12-18(19)20(25-21)14-6-8-15(24)9-7-14/h6-12,17,21H,5H2,1-4H3/t17-,21+/m1/s1"	""	""	""
"11168"	"ETC-1922159"	""	"Synthetic organic"	""	""	""	""	"434122228"	"86280523"	""	""	"CHEMBL3633802"	""	""	""	""	"2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide"	""	"ETC-159|ETC159|ETC1922159"	"O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(nn1)c1ccccc1"	"QTRXIFVSTWXRJJ-UHFFFAOYSA-N"	"InChI=1S/C19H17N7O3/c1-24-17-16(18(28)25(2)19(24)29)26(11-20-17)10-15(27)21-14-9-8-13(22-23-14)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,21,23,27)"	""	""	""
"8375"	"etelcalcetide"	""	"Peptide"	"yes"	""	""	""	"252166587"	"71511839"	""	""	"CHEMBL3545184"	""	""	""	""	""	"etelcalcetide"	"AMG 416|AMG-416|KAI-4169|Parsabiv&reg;|velcalcetide"	"C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H](CSSC[C@@H](C(=O)O)N)NC(=O)C"	"ANIAZGVDEUQPRI-ZJQCGQFWSA-N"	"InChI=1S/C38H73N21O10S2/c1-18(28(62)56-22(27(40)61)8-4-12-49-35(41)42)53-30(64)23(9-5-13-50-36(43)44)58-32(66)25(11-7-15-52-38(47)48)59-31(65)24(10-6-14-51-37(45)46)57-29(63)19(2)54-33(67)26(55-20(3)60)17-71-70-16-21(39)34(68)69/h18-19,21-26H,4-17,39H2,1-3H3,(H2,40,61)(H,53,64)(H,54,67)(H,55,60)(H,56,62)(H,57,63)(H,58,66)(H,59,65)(H,68,69)(H4,41,42,49)(H4,43,44,50)(H4,45,46,51)(H4,47,48,52)/t18-,19-,21+,22-,23-,24-,25-,26-/m1/s1"	""	""	""
"7534"	"eteplirsen"	""	"Nucleic acid"	"yes"	""	""	""	"187051835"	"0"	""	""	"CHEMBL2108278"	""	""	""	""	""	"eteplirsen"	"AVI-4658|Exondys 51&reg;"	""	""	""	""	""	""
"11331"	"etesevimab"	""	"Antibody"	""	""	""	""	"434321766"	"0"	""	""	""	""	""	""	""	""	"etesevimab"	"CB-6|JS-016|LY-CoV016|LY3832479"	""	""	""	""	""	""
"12851"	"ETG-5773"	""	"Synthetic organic"	""	""	""	""	"483123399"	"168433320"	""	""	""	""	""	""	""	"3,3,3-trifluoropropyl N-[3-chloro-5-(trifluoromethyl)phenyl]carbamate"	""	"ETG5773"	"FC(F)(F)CCOC(=O)NC1=CC(=CC(Cl)=C1)C(F)(F)F"	"YSPMJKLQVYCWHD-UHFFFAOYSA-N"	"InChI=1S/C11H8ClF6NO2/c12-7-3-6(11(16,17)18)4-8(5-7)19-9(20)21-2-1-10(13,14)15/h3-5H,1-2H2,(H,19,20)"	""	""	""
"7179"	"ethacrynic acid"	""	"Synthetic organic"	"yes"	""	""	""	"178103754"	"3278"	""	""	"CHEMBL456"	""	""	""	""	"2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid"	"etacrynic acid"	"Edecrin&reg;|MK-595"	"CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O"	"AVOLMBLBETYQHX-UHFFFAOYSA-N"	"InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)"	""	""	""
"12996"	"ethambutol"	""	"Synthetic organic"	"yes"	""	""	""	"485206117"	"14052"	""	""	"CHEMBL44884"	""	""	""	""	"(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol"	"ethambutol"	"Myambutol&reg;"	"CC[C@@H](CO)NCCN[C@@H](CC)CO"	"AEUTYOVWOVBAKS-UWVGGRQHSA-N"	"InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1"	""	""	"yes"
"2299"	"ethanol"	""	"Metabolite"	""	""	""	""	"135651485"	"702"	""	""	"CHEMBL545"	""	""	""	""	"ethanol"	""	""	"CCO"	"LFQSCWFLJHTTHZ-UHFFFAOYSA-N"	"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3"	""	""	""
"14272"	"ethanolamine"	""	"Metabolite"	""	""	""	""	"521588912"	"700"	""	""	"CHEMBL104943"	""	""	""	""	"2-aminoethanol"	"olamine"	"monoethanolamine (MEA)|olamine"	"C(CO)N"	"HZAXFHJVJLSVMW-UHFFFAOYSA-N"	"InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2"	""	""	""
"7398"	"ethcathinone"	""	"Synthetic organic"	""	""	""	""	"178103970"	"458519"	""	""	"CHEMBL3298876"	""	""	""	""	"2-ethylamino-1-phenylpropan-1-one"	""	"ETH-CAT|ethylpropion"	"CCNC(C(=O)c1ccccc1)C"	"LYMHIBZGTAPASQ-UHFFFAOYSA-N"	"InChI=1S/C11H15NO/c1-3-12-9(2)11(13)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3"	""	""	""
"7180"	"ethchlorvynol"	""	"Synthetic organic"	"yes"	""	""	""	"178103755"	"5281077"	""	""	"CHEMBL591"	""	""	""	""	"(1E)-1-chloro-3-ethylpent-1-en-4-yn-3-ol"	"ethchlorvynol"	"Placidyl&reg;"	"CCC(C#C)(/C=C/Cl)O"	"ZEHYJZXQEQOSON-AATRIKPKSA-N"	"InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3/b6-5+"	""	""	""
"10994"	"etheromycin"	""	"Synthetic organic"	""	""	""	""	"405560435"	"3042207"	""	""	""	""	""	""	""	"2-[2,4-dihydroxy-6-[1-[2-[5-[5-(6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl)oxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,6-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-(5-methoxy-6-methyloxan-2-yl)oxy-3,5-dimethyloxan-2-yl]propanoic acid"	""	"CP‐38 295"	"COC1CCC(OC1C)OC1(C)C(OC(C(C1O)C)(O)C(C(=O)O)C)C(C1CC(OC)C(C2(O1)CCC(O2)(C)C1CCC(O1)(C)C1CCC(O1)C1OC(C)(O)C(C(C1C)OC)C)C)C"	"DIKYHBWGIUNGIW-UHFFFAOYSA-N"	"InChI=1S/C48H82O16/c1-24(41-45(10,61-37-18-16-31(54-12)30(7)57-37)40(49)28(5)48(53,63-41)29(6)42(50)51)33-23-34(55-13)26(3)47(59-33)22-21-44(9,64-47)36-19-20-43(8,60-36)35-17-15-32(58-35)39-25(2)38(56-14)27(4)46(11,52)62-39/h24-41,49,52-53H,15-23H2,1-14H3,(H,50,51)"	""	""	"yes"
"4569"	"ethidium"	""	"Synthetic organic"	""	""	""	""	"178101290"	"3624"	""	""	"CHEMBL48166"	""	""	""	""	"3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium"	"homidium bromide"	""	"CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2"	"QTANTQQOYSUMLC-UHFFFAOYSA-O"	"InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1"	""	""	""
"7325"	"ethinamate"	""	"Synthetic organic"	"yes"	""	""	""	"178103897"	"3284"	""	""	"CHEMBL1576"	""	""	""	""	"[(1-ethynylcyclohexyl)oxy]methanimidic acid"	"ethinamate"	"Valmid&reg;"	"C#CC1(CCCCC1)OC(=N)O"	"GXRZIMHKGDIBEW-UHFFFAOYSA-N"	"InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)"	""	""	""
"7071"	"ethinylestradiol"	""	"Metabolite"	"yes"	""	""	""	"178103650"	"5991"	""	""	"CHEMBL691"	""	""	""	""	"(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol"	"ethinylestradiol"	"17&alpha;-ethynylestradiol|ethinyl estradiol"	"C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O"	"BFPYWIDHMRZLRN-SLHNCBLASA-N"	"InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1"	""	""	""
"12954"	"ethionamide"	""	"Synthetic organic"	"yes"	""	""	""	"485206075"	"2761171"	""	""	"CHEMBL1441"	""	""	""	""	"2-ethylpyridine-4-carbothioamide"	"ethionamide"	"1314 TH|Bayer 5312|Trecator&reg;"	"CCC1=NC=CC(=C1)C(=S)N"	"AEOCXXJPGCBFJA-UHFFFAOYSA-N"	"InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)"	""	""	"yes"
"7181"	"ethopropazine"	""	"Synthetic organic"	"yes"	""	""	""	"178103756"	"3290"	""	""	"CHEMBL1206"	""	""	""	""	"diethyl[1-(10H-phenothiazin-10-yl)propan-2-yl]amine"	"profenamine"	"Parsidol&reg;"	"CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC"	"CDOZDBSBBXSXLB-UHFFFAOYSA-N"	"InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3"	""	""	""
"7182"	"ethosuximide"	""	"Synthetic organic"	"yes"	""	""	""	"178103757"	"3291"	""	""	"CHEMBL696"	""	""	""	""	"3-ethyl-5-hydroxy-3-methyl-3,4-dihydro-2H-pyrrol-2-one"	"ethosuximide"	"CI-366|CN-10395|PM-671|Zarontin&reg;"	"CC1(CC)CC(=NC1=O)O"	"HAPOVYFOVVWLRS-UHFFFAOYSA-N"	"InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)"	""	""	""
"7183"	"ethotoin"	""	"Synthetic organic"	"yes"	""	""	""	"178103758"	"3292"	""	""	"CHEMBL1095"	""	""	""	""	"1-ethyl-2-hydroxy-4-phenyl-4,5-dihydro-1H-imidazol-5-one"	"ethotoin"	"Peganone&reg;"	"CCN1C(=O)C(N=C1O)c1ccccc1"	"SZQIFWWUIBRPBZ-UHFFFAOYSA-N"	"InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)"	""	""	""
"6814"	"ethoxzolamide"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103420"	"3295"	""	""	"CHEMBL18"	""	""	""	""	"6-ethoxy-1,3-benzothiazole-2-sulfonamide"	""	"Cardrase&reg;|Ethamide&reg;|ethoxazolamide|ethoxyzolamide"	"CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N"	"OUZWUKMCLIBBOG-UHFFFAOYSA-N"	"InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)"	""	""	""
"10952"	"ethyl bromopyruvate"	""	"Synthetic organic"	""	""	""	""	"405560393"	"66144"	""	""	"CHEMBL3185574"	""	""	""	""	"ethyl 3-bromo-2-oxopropanoate"	""	""	"CCOC(=O)C(=O)CBr"	"VICYTAYPKBLQFB-UHFFFAOYSA-N"	"InChI=1S/C5H7BrO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3"	""	""	"yes"
"6948"	"ethylestrenol"	""	"Synthetic organic"	"yes"	""	""	""	"178103530"	"13765"	""	""	"CHEMBL1200623"	""	""	""	""	"(8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol"	"ethylestrenol"	"Maxibolin&reg;|Orabolin&reg;"	"CC[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CCCC[C@H]12"	"AOXRBFRFYPMWLR-XGXHKTLJSA-N"	"InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1"	""	""	""
"4186"	"ethylisopropylamiloride"	""	"Synthetic organic"	""	""	""	""	"178101005"	"1795"	""	""	"CHEMBL517986"	""	""	""	""	"3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide"	""	"5-(N-Ethyl-N-isopropyl)amiloride|EIPA"	"CCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C(C)C"	"QDERNBXNXJCIQK-UHFFFAOYSA-N"	"InChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)"	""	""	""
"1610"	"ethylketocyclazocine"	""	"Synthetic organic"	""	""	""	""	"135650225"	"135018"	""	""	""	""	""	""	""	""	""	"(<i>1R,9R,13S</i>) ethyketazocine|EKC|WIN-35,197-2"	"CC[C@@]12CCN([C@H]([C@H]1C)C(=O)c1c2cc(O)cc1)CC1CC1"	"SEJUQQOPVAUETF-QHLBDZCJSA-N"	"InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17-,19-/m1/s1"	""	""	""
"7072"	"ethynodiol diacetate"	""	"Metabolite"	"yes"	""	""	""	"178103651"	"9270"	""	""	"CHEMBL1200624"	""	""	""	""	"[(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate"	"etynodiol"	"Continuin&reg;|Femulen&reg;|SC-11800"	"C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C[C@H](CC[C@H]12)OC(=O)C)OC(=O)C"	"ONKUMRGIYFNPJW-KIEAKMPYSA-N"	"InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1"	""	""	""
"966"	"eticlopride"	""	"Synthetic organic"	""	""	""	""	"135650243"	"57267"	""	""	"CHEMBL8946"	""	""	""	""	"5-chloro-3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide"	"eticlopride"	""	"CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(c1OC)Cl"	"AADCDMQTJNYOSS-LBPRGKRZSA-N"	"InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1"	""	""	""
"2621"	"etidocaine"	""	"Synthetic organic"	""	""	""	""	"135650244"	"37497"	""	""	"CHEMBL492"	""	""	""	""	"N-(2,6-dimethylphenyl)-2-(ethyl-propylamino)butanamide"	"etidocaine"	""	"CCCN(C(C(=O)Nc1c(C)cccc1C)CC)CC"	"VTUSIVBDOCDNHS-UHFFFAOYSA-N"	"InChI=1S/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)"	""	""	""
"7184"	"etidronic acid"	""	"Synthetic organic"	"yes"	""	""	""	"178103759"	"3305"	""	""	"CHEMBL871"	""	""	""	""	"(1-hydroxy-1-phosphonoethyl)phosphonic acid"	"etidronic acid"	"Didronel&reg;|etidronate disodium"	"CC(P(=O)(O)O)(P(=O)(O)O)O"	"DBVJJBKOTRCVKF-UHFFFAOYSA-N"	"InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)"	""	""	""
"5468"	"etifoxine"	""	"Synthetic organic"	""	""	""	""	"178102118"	"135413553"	""	""	"CHEMBL2106227"	""	""	""	""	"6-chloro-N-ethyl-4-methyl-4-phenyl-2,4-dihydro-1H-3,1-benzoxazin-2-imine"	"etifoxine"	"HOE 36-801|HOE-36801"	"CCN=C1Nc2ccc(cc2C(O1)(C)c1ccccc1)Cl"	"IBYCYJFUEJQSMK-UHFFFAOYSA-N"	"InChI=1S/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)"	""	""	""
"13984"	"etigilimab"	""	"Antibody"	""	""	""	""	"518520611"	"0"	""	""	""	""	""	""	""	""	"etigilimab"	"OMP-313M32"	""	""	""	"yes"	""	""
"14324"	"etilefrine"	""	"Synthetic organic"	"yes"	""	""	""	"523352116"	"3306"	""	""	"CHEMBL86882"	""	""	""	""	"3-[2-(ethylamino)-1-hydroxyethyl]phenol"	"etilefrine"	"Effortil&reg;|ethylnorphenylephrine|ethylphenephrine"	"CCNCC(C1=CC(=CC=C1)O)O"	"SQVIAVUSQAWMKL-UHFFFAOYSA-N"	"InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3"	""	""	""
"14192"	"ETN029"	""	"Peptide"	""	""	""	""	"518520819"	"176514754"	""	""	""	""	""	""	""	""	""	"ETN-029|MC339"	"CC(N[C@@H](CC1=CNC2=C1C=CC=C2)C(N[C@H](C(N([C@H](C(N[C@@H]3C(N[C@@H](CC4CCN(CC(O)=O)CC4)C(N[C@@H](CC(N)=O)C(N[C@@H](CC5=CC=C6C=CC=CC6=C5)C(N[C@@H](CCCCNC(CN7CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC7)=O)C(N[C@@H](CC(O)=O)C(N[C@H](C(N[C@H](C(N8CCC[C@H]8C(N)=O)=O)CC9=CNC%10=C9C=CC=C%10)=O)CSCSC3)=O)=O)=O)=O)=O)=O)=O)CC(C)(C)C)C)=O)[C@@H](C)O)=O)=O"	"YBIHAYCVELUNPG-IZEHOFEZSA-N"	"InChI=1S/C101H140N22O26S2/c1-58(124)88(116-95(144)73(107-59(2)125)43-64-48-105-68-20-11-9-18-66(64)68)100(149)117(6)80(47-101(3,4)5)98(147)115-78-56-151-57-150-55-77(97(146)113-76(99(148)123-29-15-23-79(123)89(103)138)44-65-49-106-69-21-12-10-19-67(65)69)114-94(143)75(46-83(128)129)112-90(139)70(22-13-14-28-104-82(127)50-119-32-34-120(52-85(132)133)36-38-122(54-87(136)137)39-37-121(35-33-119)53-86(134)135)108-91(140)72(42-61-24-25-62-16-7-8-17-63(62)40-61)109-93(142)74(45-81(102)126)111-92(141)71(110-96(78)145)41-60-26-30-118(31-27-60)51-84(130)131/h7-12,16-21,24-25,40,48-49,58,60,70-80,88,105-106,124H,13-15,22-23,26-39,41-47,50-57H2,1-6H3,(H2,102,126)(H2,103,138)(H,104,127)(H,107,125)(H,108,140)(H,109,142)(H,110,145)(H,111,141)(H,112,139)(H,113,146)(H,114,143)(H,115,147)(H,116,144)(H,128,129)(H,130,131)(H,132,133)(H,134,135)(H,136,137)/t58-,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,88+/m1/s1"	""	""	""
"7185"	"etodolac"	""	"Synthetic organic"	"yes"	""	""	""	"178103760"	"3308"	""	""	"CHEMBL622"	""	""	""	""	"2-{1,8-diethyl-1H,3H,4H,9H-pyrano[3,4-b]indol-1-yl}acetic acid"	"etodolac"	"AY-24236|Lodine&reg;"	"CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O"	"NNYBQONXHNTVIJ-UHFFFAOYSA-N"	"InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)"	"yes"	""	""
"5463"	"etomidate"	""	"Synthetic organic"	"yes"	""	""	""	"178102113"	"667484"	""	""	"CHEMBL681"	""	""	""	""	"ethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate"	"etomidate"	"Amidate&reg;|D-etomidate|R 16659"	"CCOC(=O)c1cncn1[C@@H](c1ccccc1)C"	"NPUKDXXFDDZOKR-LLVKDONJSA-N"	"InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1"	""	""	""
"9089"	"etomoxir"	""	"Synthetic organic"	""	""	""	""	"315661174"	"123823"	""	""	"CHEMBL1531556"	""	""	""	""	"ethyl (2R)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate"	"etomoxir"	"rac-etomoxir ethyl ester"	"CCOC(=O)[C@]1(CCCCCCOc2ccc(cc2)Cl)OC1"	"DZLOHEOHWICNIL-QGZVFWFLSA-N"	"InChI=1S/C17H23ClO4/c1-2-20-16(19)17(13-22-17)11-5-3-4-6-12-21-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3/t17-/m1/s1"	""	""	""
"1624"	"etonitazene"	""	"Synthetic organic"	""	""	""	""	"135650245"	"13493"	""	""	"CHEMBL312040"	""	""	""	""	"2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine"	"etonitazene"	""	"CCOc1ccc(cc1)Cc1nc2c(n1CCN(CC)CC)ccc(c2)[N+](=O)[O-]"	"PXDBZSCGSQSKST-UHFFFAOYSA-N"	"InChI=1S/C22H28N4O3/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3"	""	""	""
"7590"	"etonogestrel"	""	"Synthetic organic"	"yes"	""	""	""	"223365925"	"6917715"	""	""	"CHEMBL1531"	""	""	""	""	"(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one"	"etonogestrel"	"3-keto-desogestrel|Implanon&reg;|Nexplanon&reg;|ORG-3236"	"C#C[C@]1(O)CC[C@@H]2[C@]1(CC)CC(=C)[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12"	"GCKFUYQCUCGESZ-BPIQYHPVSA-N"	"InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1"	""	""	""
"6815"	"etoposide"	""	"Synthetic organic"	"yes"	""	""	""	"178103421"	"36462"	""	""	"CHEMBL44657"	""	""	""	""	"(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"etoposide"	"(-)-etoposide|Etopophos&reg;|Toposar&reg;|trans-etoposide|VePesid&reg;|VP 16-213|VP-16"	"COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C"	"VJJPUSNTGOMMGY-MRVIYFEKSA-N"	"InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1"	""	""	""
"2896"	"etoricoxib"	""	"Synthetic organic"	"yes"	""	""	""	"178100245"	"123619"	""	""	"CHEMBL416146"	""	""	""	""	"5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine"	"etoricoxib"	"Arcoxia&reg;|MK 0663|MK-0663|MK0663"	"Clc1cnc(c(c1)c1ccc(cc1)S(=O)(=O)C)c1ccc(nc1)C"	"MNJVRJDLRVPLFE-UHFFFAOYSA-N"	"InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3"	"yes"	""	""
"1625"	"etorphine"	""	"Synthetic organic"	""	""	""	""	"135650246"	"518962"	""	""	"CHEMBL1908334"	""	""	""	""	""	"etorphine"	""	"CCCC(C1CC23C=CC1(OC)C1C43CCN(C2Cc2c4c(O1)c(O)cc2)C)(O)C"	"CAHCBJPUTCKATP-UHFFFAOYSA-N"	"InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3"	""	""	""
"9331"	"etrasimod"	""	"Synthetic organic"	"yes"	""	""	""	"318164850"	"44623998"	""	""	"CHEMBL3358920"	""	""	""	""	"2-[(3R)-7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid"	"etrasimod"	"APD-334|APD334|APD334-003|compound 4 [PMID: 25516790]|Velsipity&reg;"	"OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1"	"MVGWUTBTXDYMND-QGZVFWFLSA-N"	"InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1"	"yes"	""	""
"12675"	"etravirine"	""	"Synthetic organic"	"yes"	""	""	""	"483123223"	"193962"	""	""	"CHEMBL308954"	""	""	""	""	"4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile"	"etravirine"	"Intelence&reg;|R-165335|R165335|TMC-125|TMC125"	"CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N"	"PYGWGZALEOIKDF-UHFFFAOYSA-N"	"InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)"	""	""	""
"7599"	"etretinate"	""	"Synthetic organic"	"yes"	"yes"	""	""	"223365934"	"5282375"	""	""	"CHEMBL464"	""	""	""	""	"ethyl 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate"	"etretinate"	"Ro-109359|Tegison&reg;"	"CCOC(=O)/C=C(/C=C/C=C(/C=C/c1c(C)cc(c(c1C)C)OC)\C)\C"	"HQMNCQVAMBCHCO-DJRRULDNSA-N"	"InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+"	""	""	""
"14304"	"etripamil"	""	"Synthetic organic"	"yes"	""	""	""	"523352096"	"91824132"	""	""	"CHEMBL3707312"	""	""	""	""	"methyl 3-[2-[[(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl]benzoate"	"etripamil"	"Cardamyst&reg;|MSP-2017|MSP2017"	"CC(C)[C@](CCCN(C)CCC1=CC(=CC=C1)C(=O)OC)(C#N)C2=CC(=C(C=C2)OC)OC"	"VAZNEHLGJGSQEL-MHZLTWQESA-N"	"InChI=1S/C27H36N2O4/c1-20(2)27(19-28,23-11-12-24(31-4)25(18-23)32-5)14-8-15-29(3)16-13-21-9-7-10-22(17-21)26(30)33-6/h7,9-12,17-18,20H,8,13-16H2,1-6H3/t27-/m0/s1"	""	""	""
"8407"	"etrolizumab"	""	"Antibody"	""	""	""	""	"252166617"	"0"	""	""	""	""	""	""	""	""	"etrolizumab"	"PRO145223|RG-7413|RG7413|rhuMAb Beta7"	""	""	""	"yes"	""	""
"10781"	"ETX0282"	""	"Synthetic organic"	""	""	""	""	"405560222"	"146170992"	""	""	""	""	""	""	""	"isopropyl (R)-2-(((1R,2R,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl)oxy)-2-fluoroacetate"	""	"ETX-0282"	"F[C@H](C(=O)OC(C)C)ON1C(=O)N2C[C@H]1C(=C[C@@H]2C(=O)N)C"	"OMNVFPBGXYKTDB-UTLUCORTSA-N"	"InChI=1S/C13H18FN3O5/c1-6(2)21-12(19)10(14)22-17-9-5-16(13(17)20)8(11(15)18)4-7(9)3/h4,6,8-10H,5H2,1-3H3,(H2,15,18)/t8-,9+,10+/m1/s1"	""	""	"yes"
"11753"	"ETX0462"	""	"Synthetic organic"	""	""	""	""	"458923788"	"155920149"	""	""	""	""	""	""	""	""	""	"ETX-0462|VMM"	"CN=C([C@@H]1c2c(cnn2C)[C@H](CN1C(=O)O)NOS(=O)(=O)O)NO"	"TVYRNFNEBLNAMJ-XPUUQOCRSA-N"	"InChI=1S/C10H16N6O7S/c1-11-9(13-19)8-7-5(3-12-15(7)2)6(4-16(8)10(17)18)14-23-24(20,21)22/h3,6,8,14,19H,4H2,1-2H3,(H,11,13)(H,17,18)(H,20,21,22)/t6-,8-/m0/s1"	""	""	"yes"
"10782"	"ETX1317"	""	"Synthetic organic"	""	""	""	""	"405560223"	"146170993"	""	""	""	""	""	""	""	"(2R)-2-{[(2R,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy}-2-fluoroacetic acid"	""	"ETX-1317"	"F[C@H](C(=O)O)ON1C(=O)N2C[C@H]1C(=C[C@@H]2C(=O)N)C"	"CZCMDCKIUIXEQC-VQVTYTSYSA-N"	"InChI=1S/C10H12FN3O5/c1-4-2-5(8(12)15)13-3-6(4)14(10(13)18)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5-,6+,7+/m1/s1"	""	""	"yes"
"2464"	"eucalyptol"	""	"Natural product"	""	""	""	""	"53801002"	"2758"	""	""	"CHEMBL485259"	""	""	""	""	"4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane"	""	""	"CC12CCC(CC1)C(O2)(C)C"	"WEEGYLXZBRQIMU-UHFFFAOYSA-N"	"InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3"	""	""	""
"11286"	"Eu-DTPA-hC3a"	""	"Peptide"	""	""	"yes"	""	"434321721"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"12516"	"Eu-DTPA-[Ser<sup>27</sup>, Nle<sup>70</sup>]hC5a"	""	"Peptide"	""	""	"yes"	""	"479821306"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2425"	"eugenol"	""	"Natural product"	""	""	""	""	"135650247"	"3314"	""	""	"CHEMBL42710"	""	""	""	""	"2-Methoxy-4-prop-2-enylphenol"	""	""	"C=CCc1ccc(c(c1)OC)O"	"RRAFCDWBNXTKKO-UHFFFAOYSA-N"	"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3"	""	""	""
"13862"	"eupatorin"	""	"Natural product"	""	""	""	""	"513757547"	"97214"	""	""	"CHEMBL487402"	""	""	""	""	"5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one"	""	""	"COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O"	"KLAOKWJLUQKWIF-UHFFFAOYSA-N"	"InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3"	""	""	""
"3875"	"europium-labelled INSL3"	""	"Peptide"	""	""	"yes"	""	"178100711"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4375"	"europium-labelled INSL5"	""	"Peptide"	""	""	"yes"	""	"178101189"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6522"	"europium-labelled mouse INSL5"	""	"Peptide"	""	""	"yes"	""	"178103136"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8342"	"europium-labelled R3(B1-22R)"	""	"Peptide"	""	""	"yes"	""	"252166554"	"0"	""	""	""	""	""	""	""	""	""	"Eu R3(B1-22R)"	""	""	""	""	""	""
"3874"	"europium-labelled relaxin"	""	"Peptide"	""	""	"yes"	""	"178100710"	"0"	""	""	""	""	""	""	""	""	""	"europium-labelled H2 relaxin"	""	""	""	""	""	""
"4374"	"europium-labelled relaxin-3-B/INSL5 A chimera"	""	"Peptide"	""	""	"yes"	""	"178101188"	"0"	""	""	""	""	""	""	""	""	""	"Eu-R3/I5|europium-labelled H3-B/INSL5 A chimera"	""	""	""	""	""	""
"8401"	"evacetrapib"	""	"Synthetic organic"	""	""	""	""	"252166611"	"49836058"	""	""	"CHEMBL2017179"	""	""	""	""	"4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexane-1-carboxylic acid"	"evacetrapib"	"LY2484595"	"OC(=O)C1CCC(CC1)CN1CCC[C@@H](c2c1c(C)cc(c2)C)N(c1nnn(n1)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F"	"IHIUGIVXARLYHP-UXNJHFGPSA-N"	"InChI=1S/C31H36F6N6O2/c1-18-11-19(2)27-25(12-18)26(5-4-10-42(27)16-20-6-8-22(9-7-20)28(44)45)43(29-38-40-41(3)39-29)17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h11-15,20,22,26H,4-10,16-17H2,1-3H3,(H,44,45)/t20?,22?,26-/m0/s1"	""	""	""
"4579"	"evans blue dye"	""	"Synthetic organic"	""	""	""	""	"178101300"	"9566057"	""	""	""	""	""	""	""	"tetrasodium (6E)-4-amino-6-[[4-[4-[(2E)-2-(8-amino-1-oxo-5,7-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-5-oxonaphthalene-1,3-disulfonate"	""	"T-1824"	"Cc1cc(ccc1N/N=C/1\C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c1ccc(c(c1)C)N/N=C/1\C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]"	"KBNIFDASRCWYGC-GXNXWABVSA-J"	"InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,37-38H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-23+,40-24+;;;;"	""	""	""
"1929"	"evatanepag"	""	"Synthetic organic"	""	""	""	""	"135650129"	"9890801"	""	""	"CHEMBL563646"	""	""	""	""	"2-[3-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid"	"evatanepag"	"CJ042794|CP-533536|CP533536"	"OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C"	"WOHRHWDYFNWPNG-UHFFFAOYSA-N"	"InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)"	""	""	""
"10806"	"evernimicin"	""	"Synthetic organic"	""	""	""	""	"405560247"	"6917933"	""	""	"CHEMBL263367"	""	""	""	""	"[(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(3aR,3'aS,4R,6'S,7R,7'R,7aS,7'aS)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7'-hydroxyspiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6'-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4',7-dihydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate"	"evernimicin"	"SCH 27899|SCH-27899|SCH27899|Ziracin&reg;"	"COC[C@H]1O[C@@H](O[C@@H]2OC[C@H]3[C@H]([C@H]2O)O[C@@]2(O3)OC[C@H]([C@H]3[C@H]2OCO3)OC(=O)c2c(C)cc(cc2O)O)[C@H]([C@H]([C@@H]1O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H](C)[C@@H]2[C@]([C@@H]1O)(C)O[C@]1(O2)C[C@@H](O)[C@@H]([C@H](O1)C)O[C@@H]1O[C@H](C)[C@H]([C@@H](C1)O[C@@H]1O[C@@H](C)[C@@H]([C@@](C1)(C)[N+](=O)[O-])OC)OC(=O)c1c(C)c(Cl)c(c(c1OC)Cl)O)OC)O)OC"	"UPADRKHAIMTUCC-OWALTSPQSA-N"	"InChI=1S/C70H97Cl2NO38/c1-24-15-31(74)16-32(75)40(24)61(82)100-36-22-94-70(60-53(36)92-23-93-60)108-37-21-91-63(46(79)52(37)109-70)106-65-56(89-13)45(78)51(35(101-65)20-86-10)104-64-47(80)55(50(87-11)27(4)97-64)105-66-57(81)68(9)59(30(7)98-66)110-69(111-68)18-33(76)48(28(5)107-69)102-38-17-34(99-39-19-67(8,73(84)85)58(90-14)29(6)96-39)49(26(3)95-38)103-62(83)41-25(2)42(71)44(77)43(72)54(41)88-12/h15-16,26-30,33-39,45-53,55-60,63-66,74-81H,17-23H2,1-14H3/t26-,27-,28-,29+,30-,33-,34-,35-,36-,37+,38+,39+,45+,46-,47-,48-,49-,50+,51-,52-,53+,55-,56+,57-,58+,59-,60-,63+,64+,65+,66+,67+,68-,69-,70-/m1/s1"	""	""	"yes"
"5889"	"everolimus"	""	"Synthetic organic"	"yes"	""	""	""	"178102512"	"6442177"	""	""	"CHEMBL1908360"	""	""	""	""	""	"everolimus"	"Afinitor&reg;|Certican&reg;|RAD-001|RAD001|rapamycin, 42-O-(2-hydroxyethyl)-|Zortress&reg;"	"OCCO[C@@H]1CC[C@H](C[C@H]1OC)C[C@H]([C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C1)C)/C)O)OC)C)C)/C)C"	"HKVAMNSJSFKALM-GKUWKFKPSA-N"	"InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1"	"yes"	""	""
"12940"	"evetifator"	""	"Synthetic organic"	""	""	""	""	"485206061"	"137491382"	""	""	""	""	""	""	""	"2-(4-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide"	"evetifator"	"DNL-343|DNL343"	"C=1C=C(OCC(NC23CC(C=4OC(C5CC(OC(F)(F)F)C5)=NN4)(C2)C3)=O)C=CC1Cl"	"IKPNRMYDOSNVAU-UHFFFAOYSA-N"	"InChI=1S/C20H19ClF3N3O4/c21-12-1-3-13(4-2-12)29-7-15(28)25-19-8-18(9-19,10-19)17-27-26-16(30-17)11-5-14(6-11)31-20(22,23)24/h1-4,11,14H,5-10H2,(H,25,28)"	""	""	""
"8717"	"evinacumab"	""	"Antibody"	"yes"	""	""	""	"252827375"	"0"	""	""	""	""	""	""	""	""	"evinacumab"	"evinacumab-dgnb|Evkeeza&reg;|REGN1500"	""	""	""	""	""	""
"11684"	"evixapodlin"	""	"Synthetic organic"	""	""	""	""	"442878710"	"139415912"	""	""	""	""	""	""	""	"(5S)-5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one"	"evixapodlin"	"compound 139 [WO2019160882A1]|GS-4224|GS4224|PD-1/PD-L1-IN 7"	"COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)c1cccc(c1Cl)c1c(c(ccc1)c1cnc(c(n1)OC)CNC[C@@H]1CCC(=O)N1)Cl"	"OIIOPWHTJZYKIL-PMACEKPBSA-N"	"InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-13-19-9-11-29(45)41-19)39-17-25(43-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-40-28(34(44-26)48-2)16-38-14-20-10-12-30(46)42-20/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,41,45)(H,42,46)/t19-,20-/m0/s1"	""	""	""
"9752"	"evobrutinib"	""	"Synthetic organic"	""	""	""	""	"354702225"	"71479709"	""	""	""	""	""	""	""	"1-[4-[[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]prop-2-en-1-one"	"evobrutinib"	"A250 [WO2012170976]|M-2951|M2951|MSC 2364447|MSC-2364447C|MSC2364447C"	"C=CC(=O)N1CCC(CC1)CNc1ncnc(c1c1ccc(cc1)Oc1ccccc1)N"	"QUIWHXQETADMGN-UHFFFAOYSA-N"	"InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)"	"yes"	""	""
"9042"	"evocalcet"	""	"Synthetic organic"	"yes"	""	""	""	"315661127"	"71242808"	""	""	""	""	""	""	""	"2-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]acetic acid"	"evocalcet"	"KHK-7580|MT-4580|Orkedia&reg;"	"OC(=O)Cc1ccc(cc1)N1CC[C@@H](C1)N[C@@H](c1cccc2c1cccc2)C"	"RZNUIYPHQFXBAN-XLIONFOSSA-N"	"InChI=1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1"	""	""	""
"5594"	"evodenoson"	""	"Synthetic organic"	""	""	""	""	"178102229"	"11627443"	""	""	"CHEMBL1950651"	""	""	""	""	"methyl 4-[3-[6-amino-9-[(2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]prop-2-ynyl]piperidine-1-carboxylate"	"evodenoson"	"ATL 313|ATL-313"	"COC(=O)N1CCC(CC1)CC#Cc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C(=O)NC1CC1"	"SQJXTUJMBYVDBB-RQXXJAGISA-N"	"InChI=1S/C23H29N7O6/c1-35-23(34)29-9-7-12(8-10-29)3-2-4-14-27-19(24)15-20(28-14)30(11-25-15)22-17(32)16(31)18(36-22)21(33)26-13-5-6-13/h11-13,16-18,22,31-32H,3,5-10H2,1H3,(H,26,33)(H2,24,27,28)/t16-,17+,18-,22+/m0/s1"	""	""	""
"8695"	"evofosfamide"	""	"Synthetic organic"	""	""	""	""	"252166895"	"11984561"	""	""	"CHEMBL260046"	""	""	""	""	"2-bromo-N-[(2-bromoethylamino)-[(3-methyl-2-nitroimidazol-4-yl)methoxy]phosphoryl]ethanamine"	"evofosfamide"	"compound 3b|TH-302"	"BrCCNP(=O)(NCCBr)OCc1cnc(n1C)[N+](=O)[O-]"	"UGJWRPJDTDGERK-UHFFFAOYSA-N"	"InChI=1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19)"	""	""	""
"7343"	"evolocumab"	""	"Antibody"	"yes"	""	""	""	"178103915"	"0"	""	""	""	""	""	""	""	""	"evolocumab"	"AMG-145|AMG145|Repatha&reg;"	""	""	""	""	""	""
"11592"	"evorpacept"	""	"Peptide"	""	""	""	""	"442878626"	"0"	""	""	""	""	""	""	""	""	"evorpacept"	"ALX-148|ALX148"	""	""	""	""	""	""
"12543"	"EVP-21"	""	"Synthetic organic"	""	""	""	""	"479821333"	"165715979"	""	""	""	""	""	""	""	"3-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole"	""	""	"CC1=CC(C)=C(C2=NOC3=C2CCCC3)C(C)=C1"	"GRAUWLSWADZYAL-UHFFFAOYSA-N"	"InChI=1S/C16H19NO/c1-10-8-11(2)15(12(3)9-10)16-13-6-4-5-7-14(13)18-17-16/h8-9H,4-7H2,1-3H3"	""	""	""
"12922"	"evybactin"	""	"Natural product"	""	""	""	""	"485206043"	"164887632"	""	""	""	""	""	""	""	"(4S,7S,10R,16S,19R,23S,26S,29S,30R)-16-benzyl-29-[[(2R)-5-carbamimidamido-2-[[(2S,3R)-2-[[(2S)-2-formamido-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-10-(3-carbamimidamidopropyl)-7,19-bis(hydroxymethyl)-30-methyl-26-[(3-methylimidazol-4-yl)methyl]-2,6,9,12,15,18,21,25,28-nonaoxo-1-oxa-5,8,11,14,17,20,24,27-octazacyclotriacontane-4,23-dicarboxylic acid"	""	"GLXC-26146"	"C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O1)C(=O)O)CO)CCCNC(=N)N)CC2=CC=CC=C2)CO)C(=O)O)CC3=CN=CN3C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC=O"	"WUDFNHIMHPHZCA-RMKJKUPCSA-N"	"InChI=1S/C64H89N21O21/c1-31(89)50(83-55(96)40(74-30-88)20-34-24-72-37-14-8-7-13-36(34)37)59(100)77-39(16-10-18-71-64(67)68)54(95)84-51-32(2)106-49(92)23-44(62(104)105)81-58(99)46(28-87)82-53(94)38(15-9-17-70-63(65)66)75-48(91)26-73-52(93)41(19-33-11-5-4-6-12-33)78-57(98)45(27-86)76-47(90)22-43(61(102)103)80-56(97)42(79-60(51)101)21-35-25-69-29-85(35)3/h4-8,11-14,24-25,29-32,38-46,50-51,72,86-87,89H,9-10,15-23,26-28H2,1-3H3,(H,73,93)(H,74,88)(H,75,91)(H,76,90)(H,77,100)(H,78,98)(H,79,101)(H,80,97)(H,81,99)(H,82,94)(H,83,96)(H,84,95)(H,102,103)(H,104,105)(H4,65,66,70)(H4,67,68,71)/t31-,32-,38-,39-,40+,41+,42+,43+,44+,45-,46+,50+,51+/m1/s1"	""	""	"yes"
"12730"	"EWB-3-14"	""	"Synthetic organic"	""	""	""	""	"483123278"	"16757050"	""	""	"CHEMBL397276"	""	""	""	""	"3-[(1R,5S,9R)-9-methyl-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol"	""	"(+)-ACH-1-135|compound (+)-15 [PMID: 17625813]|DC-01-0059"	"OC=1C=C(C=CC1)[C@]23CCN([C@H](CCC2)[C@@H]3C)CCC4=CC=CC=C4"	"FJRARMQVERMSNJ-NMNUPHIUSA-N"	"InChI=1S/C23H29NO/c1-18-22-11-6-13-23(18,20-9-5-10-21(25)17-20)14-16-24(22)15-12-19-7-3-2-4-8-19/h2-5,7-10,17-18,22,25H,6,11-16H2,1H3/t18-,22+,23-/m0/s1"	""	""	""
"1100"	"examorelin"	""	"Peptide"	""	""	""	""	"135652183"	"6918297"	""	""	"CHEMBL108335"	""	""	""	""	""	"examorelin"	"EP-23905|hexarelin|MF-6003"	""	""	""	""	""	""
"11952"	"example 100 [WO2022043374]"	""	"Synthetic organic"	""	""	""	""	"461663507"	"162679552"	""	""	""	""	""	""	""	"N-[(2S)-1-[(2R)-2-chloro-2-fluoro-N-{[(3S)-2-oxopyrrolidin-3-yl]methyl}acetohydrazido]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1,2-oxazole-3-carboxamide"	""	""	"CC1(C[C@H](NC(=O)c2noc(c2)C(F)F)C(=O)NN(C[C@@H]2CCNC2=O)C(=O)[C@H](F)Cl)CC1"	"HZFDKBPTVOENNB-GAFUQQFSSA-N"	"InChI=1S/C19H23ClF3N5O5/c1-19(3-4-19)7-11(25-16(30)10-6-12(14(22)23)33-27-10)17(31)26-28(18(32)13(20)21)8-9-2-5-24-15(9)29/h6,9,11,13-14H,2-5,7-8H2,1H3,(H,24,29)(H,25,30)(H,26,31)/t9-,11-,13-/m0/s1"	""	""	""
"12952"	"example 10 [CN110740999A]"	""	"Synthetic organic"	""	""	""	""	"485206073"	"142497307"	""	""	"CHEMBL5172794"	""	""	""	""	"N-[2-[[5-chloro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide"	""	"compound 40 [PMID: 34323489]"	"COC1=C(NC2=NC=C(Cl)C(NC3=CC=CC=C3NS(C)(=O)=O)=N2)C=CC(=C1)N4CCC(CC4)N5CCN(C)CC5"	"MPISIZFSGAZROV-UHFFFAOYSA-N"	"InChI=1S/C28H37ClN8O3S/c1-35-14-16-37(17-15-35)20-10-12-36(13-11-20)21-8-9-25(26(18-21)40-2)32-28-30-19-22(29)27(33-28)31-23-6-4-5-7-24(23)34-41(3,38)39/h4-9,18-20,34H,10-17H2,1-3H3,(H2,30,31,32,33)"	""	""	""
"12042"	"example 10 [WO2022129953]"	""	"Synthetic organic"	""	""	""	""	"472319165"	"164532017"	""	""	""	""	""	""	""	"(2S)-N-[1-(cyclopropylcarbamoyl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[(2E)-3-(2,4-dichlorophenyl)prop-2-enamido]-4,4-dimethylpentanamide"	""	""	"CC(C)(C)C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)C(=O)NC(C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1"	"BIIBYWQGRFWQKM-JVVROLKMSA-N"	"InChI=1S/C27H34Cl2N4O5/c1-27(2,3)14-21(32-22(34)9-5-15-4-6-17(28)13-19(15)29)25(37)33-20(12-16-10-11-30-24(16)36)23(35)26(38)31-18-7-8-18/h4-6,9,13,16,18,20-21H,7-8,10-12,14H2,1-3H3,(H,30,36)(H,31,38)(H,32,34)(H,33,37)/b9-5+/t16-,20?,21-/m0/s1"	""	""	""
"9143"	"example 1.11 [WO2014139978]"	""	"Synthetic organic"	""	""	""	""	"315661228"	"90421763"	""	""	""	""	""	""	""	"[4-(trifluoromethoxy)phenyl]methyl (3aS,6aS)-2-(3-fluoro-4-sulfamoylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate"	""	""	"O=C(N1C[C@H]2[C@H](C1)CN(C2)C(=O)c1ccc(c(c1)F)S(=O)(=O)N)OCc1ccc(cc1)OC(F)(F)F"	"PCBOWMZAEDDKNH-HOTGVXAUSA-N"	"InChI=1S/C22H21F4N3O6S/c23-18-7-14(3-6-19(18)36(27,32)33)20(30)28-8-15-10-29(11-16(15)9-28)21(31)34-12-13-1-4-17(5-2-13)35-22(24,25)26/h1-7,15-16H,8-12H2,(H2,27,32,33)/t15-,16-/m0/s1"	""	""	""
"8489"	"example 131 [WO2009133348]"	""	"Synthetic organic"	""	""	""	""	"252166697"	"44468926"	""	""	""	""	""	""	""	"(2R)-N-[(2S)-1-[(6-aminopyridin-3-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-1-ethylpyrrolidine-2-carboxamide"	""	""	"CCN1CCC[C@@H]1C(=O)N[C@H](C(=O)NCc1ccc(nc1)N)Cc1ccc(c(c1)F)F"	"ALLYUHIQZKTLFG-RBUKOAKNSA-N"	"InChI=1S/C22H27F2N5O2/c1-2-29-9-3-4-19(29)22(31)28-18(11-14-5-7-16(23)17(24)10-14)21(30)27-13-15-6-8-20(25)26-12-15/h5-8,10,12,18-19H,2-4,9,11,13H2,1H3,(H2,25,26)(H,27,30)(H,28,31)/t18-,19+/m0/s1"	"yes"	""	""
"9077"	"example 13 [WO2009109743]"	""	"Synthetic organic"	""	""	""	""	"315661162"	"44199427"	""	""	""	""	""	""	""	"3-(5-phenylpyridin-2-yl)oxy-N-pyridazin-3-ylazetidine-1-carboxamide"	""	""	"O=C(N1CC(C1)Oc1ccc(cn1)c1ccccc1)Nc1cccnn1"	"VSQUREFTKYDATG-UHFFFAOYSA-N"	"InChI=1S/C19H17N5O2/c25-19(22-17-7-4-10-21-23-17)24-12-16(13-24)26-18-9-8-15(11-20-18)14-5-2-1-3-6-14/h1-11,16H,12-13H2,(H,22,23,25)"	""	""	""
"12667"	"example 15 [WO2015079413]"	""	"Synthetic organic"	""	""	""	""	"483123215"	"13254473"	""	""	"CHEMBL509624"	""	""	""	""	"(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one"	""	"Eriodictyol 7-O-glucoside|Pyracanthoside"	"O=C1C[C@@H](C2=CC=C(O)C(O)=C2)OC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C31"	"RAFHNDRXYHOLSH-SFTVRKLSSA-N"	"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1"	""	""	""
"7892"	"example 166  [WO2014154727]"	""	"Synthetic organic"	""	""	""	""	"223366215"	"78426198"	""	""	""	""	""	""	""	"3-[3-[3-(2-amino-2-oxoethyl)phenyl]-5-chlorophenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid"	""	""	"OC(=O)CC(c1ncc(s1)C)c1cc(Cl)cc(c1)c1cccc(c1)CC(=O)N"	"SRVXSISGYBMIHR-UHFFFAOYSA-N"	"InChI=1S/C21H19ClN2O3S/c1-12-11-24-21(28-12)18(10-20(26)27)16-7-15(8-17(22)9-16)14-4-2-3-13(5-14)6-19(23)25/h2-5,7-9,11,18H,6,10H2,1H3,(H2,23,25)(H,26,27)"	""	""	""
"12668"	"example 184 [WO2014186035]"	""	"Synthetic organic"	""	""	""	""	"483123216"	"86280679"	""	""	"CHEMBL4279060"	""	""	""	""	"3-N-(3,4-difluorophenyl)-7-pyridin-4-ylfuro[2,3-c]pyridine-2,3-diamine"	""	""	"NC=1OC2=C(C3=CC=NC=C3)N=CC=C2C1NC4=CC=C(F)C(F)=C4"	"YZPRNUIZJURTKK-UHFFFAOYSA-N"	"InChI=1S/C18H12F2N4O/c19-13-2-1-11(9-14(13)20)24-16-12-5-8-23-15(17(12)25-18(16)21)10-3-6-22-7-4-10/h1-9,24H,21H2"	""	""	""
"12590"	"example 18 [WO2022013684]"	""	"Synthetic organic"	""	""	""	""	"479821380"	"162442774"	""	""	""	""	""	""	""	"(1R,2S,5S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-[(2S)-2-(methanesulfonamido)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide"	""	""	"CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NS(=O)(=O)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)C4=NC5=CC=CC=C5S4)C"	"BLEQBWYJEGYQCM-TXWIUQIISA-N"	"InChI=1S/C29H39N5O6S2/c1-28(2,3)23(33-42(6,39)40)27(38)34-14-16-20(29(16,4)5)21(34)25(37)31-18(13-15-11-12-30-24(15)36)22(35)26-32-17-9-7-8-10-19(17)41-26/h7-10,15-16,18,20-21,23,33H,11-14H2,1-6H3,(H,30,36)(H,31,37)/t15-,16-,18-,20-,21-,23+/m0/s1"	""	""	""
"12664"	"example 203 [WO2017058503A1]"	""	"Synthetic organic"	""	""	""	""	"483123212"	"140914460"	""	""	"CHEMBL4587289"	""	""	""	""	"2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-dimethoxyphosphorylpiperazin-1-yl)imidazo[1,2-a]pyridine"	""	""	"COC1=CC(OC)=C(C2=CN3C=CC(N4CCN(P(=O)(OC)OC)CC4)=CC3=N2)C=C1Cl"	"MSTKHNHJVJYJPY-UHFFFAOYSA-N"	"InChI=1S/C21H26ClN4O5P/c1-28-19-13-20(29-2)17(22)12-16(19)18-14-25-6-5-15(11-21(25)23-18)24-7-9-26(10-8-24)32(27,30-3)31-4/h5-6,11-14H,7-10H2,1-4H3"	""	""	""
"7853"	"example 20 [WO2010128058]"	""	"Synthetic organic"	""	""	""	""	"223366183"	"46944265"	""	""	""	""	""	""	""	"N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-5-chloropyrimidine-2-carboxamide"	""	""	"Clc1cnc(nc1)C(=O)Nc1cccc(c1)[C@]1(C)CC(=O)N(C(=N1)N)C"	"VZUGBLTVBZJZOE-KRWDZBQOSA-N"	"InChI=1S/C17H17ClN6O2/c1-17(7-13(25)24(2)16(19)23-17)10-4-3-5-12(6-10)22-15(26)14-20-8-11(18)9-21-14/h3-6,8-9H,7H2,1-2H3,(H2,19,23)(H,22,26)/t17-/m0/s1"	""	""	""
"10201"	"example 25 [WO2018228934]"	""	"Synthetic organic"	""	""	""	""	"381118911"	"137321170"	""	""	""	""	""	""	""	"(3'S)-1'-({3',5'-dihydro-2'H-spiro[cyclopropane-1,4'-pyrido[3,2-b][1,4]oxazepin]-8'-yl}carbonyl)-[1,3'-bipyrrolidin]-2-one"	""	""	"O=C1CCCN1[C@H]1CCN(C1)C(=O)c1cnc2c(c1)OCCC1(N2)CC1"	"UQONAEXHTGDOIH-AWEZNQCLSA-N"	"InChI=1S/C19H24N4O3/c24-16-2-1-7-23(16)14-3-8-22(12-14)18(25)13-10-15-17(20-11-13)21-19(4-5-19)6-9-26-15/h10-11,14H,1-9,12H2,(H,20,21)/t14-/m0/s1"	"yes"	""	""
"11067"	"example 265 [WO2019097515A1]"	""	"Synthetic organic"	""	""	""	""	"405560508"	"139443232"	""	""	""	""	""	""	""	"N-[3-(1,1-difluoroethyl)phenyl]-1-(4-methoxyphenyl)-3-methyl-5-oxo-4H-pyrazole-4-carboxamide"	""	""	"COc1ccc(cc1)N1N=C(C(C1=O)C(=O)Nc1cccc(c1)C(F)(F)C)C"	"FEYNFHSRETUBEM-UHFFFAOYSA-N"	"InChI=1S/C20H19F2N3O3/c1-12-17(18(26)23-14-6-4-5-13(11-14)20(2,21)22)19(27)25(24-12)15-7-9-16(28-3)10-8-15/h4-11,17H,1-3H3,(H,23,26)"	""	""	""
"11106"	"example 2 [WO2005113580A1]"	""	"Synthetic organic"	""	""	""	""	"434122167"	"154699443"	""	""	""	""	""	""	""	""	""	""	"OC[C@H]([C@@H](NC(=O)[C@@H](NC(=O)c1[nH]c2c(c1)c(OC)ccc2)CC(C)C)C[C@@H]1CCNC1=O)O"	"FDQSUXUTXIGUIA-PRIDNEQBSA-N"	"InChI=1S/C24H34N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,20,26,29-30H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-,20+/m0/s1"	""	""	""
"7852"	"example 2 [WO2013004676]"	""	"Synthetic organic"	""	""	""	""	"223366182"	"71202307"	""	""	"CHEMBL2331712"	""	""	""	""	"N-[3-[(1S,7S)-5-amino-4-thia-6-azabicyclo[5.1.0]oct-5-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide"	""	"entry 2 [PMID: 24900681]"	"Clc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@]12N=C(N)SCC[C@@H]2C1)F"	"COCAUCFPFHUGAA-MGNBDDOMSA-N"	"InChI=1S/C18H16ClFN4OS/c19-11-1-4-15(22-9-11)16(25)23-12-2-3-14(20)13(7-12)18-8-10(18)5-6-26-17(21)24-18/h1-4,7,9-10H,5-6,8H2,(H2,21,24)(H,23,25)/t10-,18+/m1/s1"	""	""	""
"12114"	"example 2 [WO2013026797A1]"	""	"Synthetic organic"	""	""	""	""	"472319236"	"71278111"	""	""	""	""	""	""	""	""	""	""	"OCC1(CCC1)Nc1nc(nc2c1S(=O)CC2)N1CCC(CC1)c1ncc(Cl)cn1"	"UHYCLWAANUGUMN-UHFFFAOYSA-N"	"InChI=1S/C20H25ClN6O2S/c21-14-10-22-17(23-11-14)13-2-7-27(8-3-13)19-24-15-4-9-30(29)16(15)18(25-19)26-20(12-28)5-1-6-20/h10-11,13,28H,1-9,12H2,(H,24,25,26)"	""	""	""
"9144"	"example 2 [WO2013054185]"	""	"Synthetic organic"	""	""	""	""	"315661229"	"121231400"	""	""	""	""	""	""	""	"6-[3-(1,3-benzothiazol-2-yl)propanoyl]-4-(4-fluorobenzyl)-5,6,7,8-tetrahydropyrido-[4,3-d] pyrimidine"	""	"compound 26 [PMID: 26745766]"	"Fc1ccc(cc1)CC1=NN=CC2C1CN(CC2)C(=O)CCc1nc2c(s1)cccc2"	"BSWOIMAAUKKRAB-UHFFFAOYSA-N"	"InChI=1S/C24H23FN4OS/c25-18-7-5-16(6-8-18)13-21-19-15-29(12-11-17(19)14-26-28-21)24(30)10-9-23-27-20-3-1-2-4-22(20)31-23/h1-8,14,17,19H,9-13,15H2"	""	""	""
"9762"	"example 31 (24) [WO2012005227]"	""	"Synthetic organic"	""	""	""	""	"354702235"	"68050761"	""	""	"CHEMBL3677653"	""	""	""	""	""	""	"Ex_31"	"OC(=O)[C@@H]1CC[C@H](CC1)CC(=O)N1CCc2c(C1)n(Cc1ccc(cc1F)Cl)c1c2cccn1"	"RKUKGCKNRLOSDX-QAQDUYKDSA-N"	"InChI=1S/C26H27ClFN3O3/c27-19-8-7-18(22(28)13-19)14-31-23-15-30(11-9-20(23)21-2-1-10-29-25(21)31)24(32)12-16-3-5-17(6-4-16)26(33)34/h1-2,7-8,10,13,16-17H,3-6,9,11-12,14-15H2,(H,33,34)/t16-,17-"	""	""	""
"12666"	"example 31 [WO2018183145]"	""	"Synthetic organic"	""	""	""	""	"483123214"	"135349311"	""	""	"CHEMBL4442295"	""	""	""	""	"4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-[(2-methoxypyridine-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide"	""	""	"FC1=C(OC2CCN(CC2)C3=CC(=NC=C3NC(C4=C(N=CC=C4)OC)=O)C(=O)N(C)C)C=CC(=C1)F"	"BZWZIHDBTPHSPG-UHFFFAOYSA-N"	"InChI=1S/C26H27F2N5O4/c1-32(2)26(35)20-14-22(21(15-30-20)31-24(34)18-5-4-10-29-25(18)36-3)33-11-8-17(9-12-33)37-23-7-6-16(27)13-19(23)28/h4-7,10,13-15,17H,8-9,11-12H2,1-3H3,(H,31,34)"	""	""	""
"12662"	"example 320 [WO2018198077A2]"	""	"Synthetic organic"	""	""	""	""	"483123210"	"135390649"	""	""	"CHEMBL4439972"	""	""	""	""	"2,3-dimethyl-3-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-2,3-diamine"	""	""	"CC(C)(N)C(C)(C)NC1=NC(C2=CC=NC=C2)=NC3=CN=CC=C13"	"MYPGOQOVEQKGDN-UHFFFAOYSA-N"	"InChI=1S/C18H22N6/c1-17(2,19)18(3,4)24-16-13-7-10-21-11-14(13)22-15(23-16)12-5-8-20-9-6-12/h5-11H,19H2,1-4H3,(H,22,23,24)"	""	""	""
"14503"	"example 368 [WO2015164508]"	""	"Synthetic organic"	""	""	""	""	"528429824"	"118479616"	""	""	"CHEMBL5972815"	""	""	""	""	"[3-bromo-4-(trifluoromethyl)phenyl]-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone"	""	"AGP100|DART-8569"	"BrC=1C=C(C=CC1C(F)(F)F)C(=O)N2C[C@H](OCC2)C3=CC(=NC=4N3N=CN4)C"	"SKCMMPJYCHJZCN-HNNXBMFYSA-N"	"InChI=1S/C18H15BrF3N5O2/c1-10-6-14(27-17(25-10)23-9-24-27)15-8-26(4-5-29-15)16(28)11-2-3-12(13(19)7-11)18(20,21)22/h2-3,6-7,9,15H,4-5,8H2,1H3/t15-/m0/s1"	""	""	""
"9555"	"example 36 [WO2016177845]"	""	"Synthetic organic"	""	""	""	""	"336446941"	"122670075"	""	""	""	""	""	""	""	"2-[5-[cyclopropylmethyl(1,2-dihydroacenaphthylen-5-yl)amino]-3-methoxypyridine-2-carbonyl]cyclopropane-1-carboxylic acid"	""	""	"COc1cc(cnc1C(=O)C1CC1C(=O)O)N(c1ccc2c3c1cccc3CC2)CC1CC1"	"FQHWQFIPEVBFKT-UHFFFAOYSA-N"	"InChI=1S/C27H26N2O4/c1-33-23-11-18(13-28-25(23)26(30)20-12-21(20)27(31)32)29(14-15-5-6-15)22-10-9-17-8-7-16-3-2-4-19(22)24(16)17/h2-4,9-11,13,15,20-21H,5-8,12,14H2,1H3,(H,31,32)"	"yes"	""	""
"8296"	"example 373 [WO2012093101]"	""	"Synthetic organic"	""	""	""	""	"252166508"	"57412074"	""	""	"CHEMBL2180765"	""	""	""	""	"(1R,3S,5R)-2-N-[1-carbamoyl-5-(cyanomethoxy)indol-3-yl]-3-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide"	""	""	"N#CCOc1ccc2c(c1)c(NC(=O)N1[C@@H]3C[C@@H]3C[C@H]1C(=O)NCc1cccc(c1F)Cl)cn2C(=O)N"	"SOCAXRLFGRNEPK-IFZYUDKTSA-N"	"InChI=1S/C25H22ClFN6O4/c26-17-3-1-2-13(22(17)27)11-30-23(34)21-9-14-8-20(14)33(21)25(36)31-18-12-32(24(29)35)19-5-4-15(10-16(18)19)37-7-6-28/h1-5,10,12,14,20-21H,7-9,11H2,(H2,29,35)(H,30,34)(H,31,36)/t14-,20-,21+/m1/s1"	""	""	""
"12041"	"example 37 [WO2022021841A1]"	""	"Synthetic organic"	""	""	""	""	"472319164"	"165368926"	""	""	""	""	""	""	""	""	""	""	"[C@@H]12CCC[C@@H]1C(N(C2)C(=O)CCc1cccc(F)c1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O"	"FIOKKXQKMFIASF-NAQAXNRLSA-N"	"InChI=1S/C24H30FN3O4/c25-18-5-1-3-15(11-18)7-8-21(30)28-13-17-4-2-6-20(17)22(28)24(32)27-19(14-29)12-16-9-10-26-23(16)31/h1,3,5,11,14,16-17,19-20,22H,2,4,6-10,12-13H2,(H,26,31)(H,27,32)/t16-,17-,19-,20-,22?/m0/s1"	""	""	""
"7855"	"example 41 [WO2012028563]"	""	"Synthetic organic"	""	""	""	""	"223366185"	"56846820"	""	""	""	""	""	""	""	"N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-[methyl(methylsulfonyl)amino]-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide"	""	""	"Cc1csc(n1)[C@H]1CCCN1C(=O)c1cc(cc(c1)N(S(=O)(=O)C)C)C(=O)N[C@H]([C@@H](CNCc1cccc(c1)OC(F)(F)F)O)Cc1ccccc1"	"GUOONOJYWQOJJP-DCMFLLSESA-N"	"InChI=1S/C36H40F3N5O6S2/c1-23-22-51-34(41-23)31-13-8-14-44(31)35(47)27-17-26(18-28(19-27)43(2)52(3,48)49)33(46)42-30(16-24-9-5-4-6-10-24)32(45)21-40-20-25-11-7-12-29(15-25)50-36(37,38)39/h4-7,9-12,15,17-19,22,30-32,40,45H,8,13-14,16,20-21H2,1-3H3,(H,42,46)/t30-,31+,32+/m0/s1"	""	""	""
"12592"	"example 45 [WO2022229458]"	""	"Synthetic organic"	""	""	""	""	"479821382"	"166098683"	""	""	""	""	""	""	""	"2-(3-bromothiophen-2-yl)-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione"	""	""	"C1C(CC12C(=O)N(C(=O)N2)C3=CN=CC4=CC=CC=C43)C5=C(C=CS5)Br"	"MOXCGRCJBAULFS-UHFFFAOYSA-N"	"InChI=1S/C19H14BrN3O2S/c20-14-5-6-26-16(14)12-7-19(8-12)17(24)23(18(25)22-19)15-10-21-9-11-3-1-2-4-13(11)15/h1-6,9-10,12H,7-8H2,(H,22,25)"	""	""	""
"12665"	"example 494 [WO2014028479] parent molecule"	""	"Synthetic organic"	""	""	""	""	"483123213"	"118308507"	""	""	"CHEMBL3719505"	""	""	""	""	"N-cyclopropyl-3-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-5-methylpyrido[3,4-b]pyrazin-2-amine"	""	""	"CC1=NC=CC2=NC(NC3CC3)=C(N4CCC(CC5=CC=C(F)C=C5F)CC4)N=C12"	"PWJURAYPJMGEQA-UHFFFAOYSA-N"	"InChI=1S/C23H25F2N5/c1-14-21-20(6-9-26-14)28-22(27-18-4-5-18)23(29-21)30-10-7-15(8-11-30)12-16-2-3-17(24)13-19(16)25/h2-3,6,9,13,15,18H,4-5,7-8,10-12H2,1H3,(H,27,28)"	""	""	""
"10749"	"example 4 [WO2017114509]"	""	"Synthetic organic"	""	""	""	""	"405560190"	"145343840"	""	""	""	""	""	""	""	"N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide"	""	"compound 18p [PMID: 33872498]"	"O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](NC(=O)c1cc2c([nH]1)cccc2)Cc1ccccc1"	"BRFDPJYHCJVJEP-ZJOUEHCJSA-N"	"InChI=1S/C25H26N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h1-9,14-15,18-19,21,28H,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1"	""	""	""
"10449"	"Example 4 [WO2017202275A1]"	""	"Synthetic organic"	""	""	""	""	"385612209"	"132184577"	""	""	""	""	""	""	""	"(2S)-1-{[4-({2-bromo-[1,1'-biphenyl]-3-yl}methoxy)-5-chloro-2-[(2-cyanopyridin-4-yl)methoxy]phenyl]methyl}piperidine-2-carboxylic acid"	""	""	"N#Cc1nccc(c1)COc1cc(OCc2cccc(c2Br)c2ccccc2)c(cc1CN1CCCC[C@H]1C(=O)O)Cl"	"YYAPLXNCTNGBJO-LJAQVGFWSA-N"	"InChI=1S/C33H29BrClN3O4/c34-32-24(9-6-10-27(32)23-7-2-1-3-8-23)21-42-31-17-30(41-20-22-12-13-37-26(15-22)18-36)25(16-28(31)35)19-38-14-5-4-11-29(38)33(39)40/h1-3,6-10,12-13,15-17,29H,4-5,11,14,19-21H2,(H,39,40)/t29-/m0/s1"	"yes"	""	""
"14089"	"example 5 [WO2023245150]"	""	"Synthetic organic"	""	""	""	""	"518520716"	"170545846"	""	""	""	""	""	""	""	"3-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide"	""	""	"COC1=CC(CN2C=CC=N2)=CC3=C1C(NS(=O)(=O)C4=CC=CC(=C4)N5CC6(C5)CCN(CC7CCN(C7)C8=CC9=C(C=C8)C(=O)N(C%10CCC(=O)NC%10=O)C9=O)CC6)=NO3"	"XVJJGQFASNNHCT-UHFFFAOYSA-N"	"InChI=1S/C43H45N9O8S/c1-59-35-18-28(24-51-14-3-13-44-51)19-36-38(35)39(46-60-36)47-61(57,58)31-5-2-4-29(20-31)50-25-43(26-50)11-16-48(17-12-43)22-27-10-15-49(23-27)30-6-7-32-33(21-30)42(56)52(41(32)55)34-8-9-37(53)45-40(34)54/h2-7,13-14,18-21,27,34H,8-12,15-17,22-26H2,1H3,(H,46,47)(H,45,53,54)"	""	""	""
"8283"	"example 7 [US8664233]"	""	"Synthetic organic"	""	""	""	""	"252166495"	"24990553"	""	""	""	""	""	""	""	"4-ethoxy-2-piperazin-1-yl-7-pyridin-4-yl-5H-pyrimido[5,4-b]indole"	""	""	"CCOc1nc(nc2c1[nH]c1c2ccc(c1)c1ccncc1)N1CCNCC1"	"HFGHRUCCKVYFKL-UHFFFAOYSA-N"	"InChI=1S/C21H22N6O/c1-2-28-20-19-18(25-21(26-20)27-11-9-23-10-12-27)16-4-3-15(13-17(16)24-19)14-5-7-22-8-6-14/h3-8,13,23-24H,2,9-12H2,1H3"	""	""	""
"8581"	"example 8 [WO1999033801A1]"	""	"Synthetic organic"	""	""	""	""	"252166782"	"57180216"	""	""	""	""	""	""	""	"(2R)-1-[(2S)-2-aminobutanoyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-2,3-dihydroindole-2-carboxamide"	""	""	"CC[C@@H](C(=O)N1[C@H](Cc2c1cccc2F)C(=O)NCC(F)(F)F)N"	"GNYDXSHWPPTVEX-CMPLNLGQSA-N"	"InChI=1S/C15H17F4N3O2/c1-2-10(20)14(24)22-11-5-3-4-9(16)8(11)6-12(22)13(23)21-7-15(17,18)19/h3-5,10,12H,2,6-7,20H2,1H3,(H,21,23)/t10-,12+/m0/s1"	""	""	""
"7856"	"example 92 [WO2012095521]"	""	"Synthetic organic"	""	""	""	""	"223366186"	"50913216"	""	""	""	""	""	""	""	"N-[3-[(3R)-5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloro-3-methylpyridine-2-carboxamide"	""	""	"FC[C@]1(COCC(=N1)N)c1cc(ccc1F)NC(=O)c1ncc(cc1C)Cl"	"NQNLROFWOGGJGK-SFHVURJKSA-N"	"InChI=1S/C18H17ClF2N4O2/c1-10-4-11(19)6-23-16(10)17(26)24-12-2-3-14(21)13(5-12)18(8-20)9-27-7-15(22)25-18/h2-6H,7-9H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1"	""	""	""
"6540"	"example 98 [WO2011020806]"	""	"Synthetic organic"	""	""	""	""	"178103154"	"50991498"	""	""	""	""	""	""	""	"N-{3-[(3R)-5-amino-3-methyl-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl}-5-chloro-3-methylpyridine-2-carboxamide"	""	""	"Clc1cnc(c(c1)C)C(=O)Nc1ccc(c(c1)[C@]1(C)COCC(=N1)N)F"	"RAFVKOLBEOKYJW-SFHVURJKSA-N"	"InChI=1S/C18H18ClFN4O2/c1-10-5-11(19)7-22-16(10)17(25)23-12-3-4-14(20)13(6-12)18(2)9-26-8-15(21)24-18/h3-7H,8-9H2,1-2H3,(H2,21,24)(H,23,25)/t18-/m0/s1"	""	""	""
"12588"	"example I-1 [WO2023283831]"	""	"Synthetic organic"	""	""	""	""	"479821378"	"167993660"	""	""	""	""	""	""	""	"(4R)-4-{2-[2-formyl-4-(1H-indazol-4-yl)phenoxy]acetamido}-N,6-dimethylheptanamide"	""	""	"CC(C)C[C@@H](CCC(=O)NC)NC(=O)COC1=C(C=C(C=C1)C2=C3C=NNC3=CC=C2)C=O"	"QEESOLSJCWOAST-LJQANCHMSA-N"	"InChI=1S/C25H30N4O4/c1-16(2)11-19(8-10-24(31)26-3)28-25(32)15-33-23-9-7-17(12-18(23)14-30)20-5-4-6-22-21(20)13-27-29-22/h4-7,9,12-14,16,19H,8,10-11,15H2,1-3H3,(H,26,31)(H,27,29)(H,28,32)/t19-/m1/s1"	""	""	""
"12095"	"exarafenib"	""	"Synthetic organic"	""	""	""	""	"472319217"	"156297592"	""	""	""	""	""	""	""	"(3S)-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide"	"exarafenib"	"compound 15 [Chen et al., 2024]|example 14 [WO2021081375A1]|KIN-2787|KIN2787"	"Cc1c(cc(cc1)NC(=O)N1CC[C@H](C1)CC(F)(F)F)c1cc(nc(c1)N1CCOCC1)N[C@H](C)CO"	"GZMYLSJUNSCMTD-MOPGFXCFSA-N"	"InChI=1S/C26H34F3N5O3/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36)/t18-,19+/m1/s1"	""	""	""
"7073"	"exemestane"	""	"Synthetic organic"	"yes"	""	""	""	"178103652"	"60198"	""	""	"CHEMBL1200374"	""	""	""	""	"(8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione"	"exemestane"	"Aromasin&reg;|FCE-24304"	"O=C1C=C[C@]2(C(=C1)C(=C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C"	"BFYIZQONLCFLEV-DAELLWKTSA-N"	"InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1"	""	""	""
"3730"	"exendin-3"	""	"Peptide"	""	""	""	""	"178100601"	"155817451"	"P20394"	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O"	"IMYQGQFNKXTSQA-IEQINRSDSA-N"	"InChI=1S/C184H281N49O62S/c1-16-93(10)146(177(288)210-112(51-56-142(254)255)161(272)215-119(71-100-76-194-104-39-24-23-38-102(100)104)166(277)212-114(66-89(2)3)163(274)202-106(41-26-28-59-186)156(267)216-120(73-134(189)243)151(262)196-78-135(244)195-81-138(247)230-61-30-43-129(230)174(285)223-126(85-237)173(284)221-123(82-234)153(264)198-79-136(245)200-95(12)180(291)232-63-32-45-131(232)182(293)233-64-33-46-132(233)181(292)231-62-31-44-130(231)175(286)225-128(87-239)183(294)295)228-168(279)117(69-98-34-19-17-20-35-98)214-164(275)115(67-90(4)5)211-157(268)107(42-29-60-193-184(190)191)209-176(287)145(92(8)9)227-149(260)94(11)201-154(265)109(48-53-139(248)249)205-159(270)110(49-54-140(250)251)206-160(271)111(50-55-141(252)253)207-162(273)113(57-65-296-15)208-158(269)108(47-52-133(188)242)204-155(266)105(40-25-27-58-185)203-170(281)125(84-236)222-165(276)116(68-91(6)7)213-167(278)122(75-144(258)259)218-172(283)127(86-238)224-179(290)148(97(14)241)229-169(280)118(70-99-36-21-18-22-37-99)219-178(289)147(96(13)240)226-137(246)80-197-152(263)121(74-143(256)257)217-171(282)124(83-235)220-150(261)103(187)72-101-77-192-88-199-101/h17-24,34-39,76-77,88-97,103,105-132,145-148,194,234-241H,16,25-33,40-75,78-87,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H,192,199)(H,195,244)(H,196,262)(H,197,263)(H,198,264)(H,200,245)(H,201,265)(H,202,274)(H,203,281)(H,204,266)(H,205,270)(H,206,271)(H,207,273)(H,208,269)(H,209,287)(H,210,288)(H,211,268)(H,212,277)(H,213,278)(H,214,275)(H,215,272)(H,216,267)(H,217,282)(H,218,283)(H,219,289)(H,220,261)(H,221,284)(H,222,276)(H,223,285)(H,224,290)(H,225,286)(H,226,246)(H,227,260)(H,228,279)(H,229,280)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,294,295)(H4,190,191,193)/t93-,94-,95-,96+,97+,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,145-,146-,147-,148-/m0/s1"	""	""	""
"1135"	"exendin-4"	""	"Peptide"	"yes"	""	""	""	"135652150"	"53396299"	"P26349"	""	""	""	""	""	""	""	"exenatide"	"AC 2993|AC002993|AC2993A|Bydureon&reg;|Byetta&reg;"	"NCCCCC(C(=O)NC(C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)N)CO)C)CO)CO)CC(=O)N)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(Cc1nc[nH]c1)N)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CC(C)C)CO)CCCCN)CCC(=O)N)CCSC)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)CCCNC(=N)N)CC(C)C)Cc1ccccc1)CCC(=O)O)CC(C)C"	"HTQBXNHDCUEHJF-UHFFFAOYSA-N"	"InChI=1S/C184H282N50O60S/c1-16-94(10)147(178(289)213-114(52-58-144(257)258)163(274)218-121(73-101-77-195-105-39-24-23-38-103(101)105)168(279)215-116(68-90(2)3)165(276)205-107(41-26-28-61-186)158(269)219-122(75-134(189)243)154(265)198-79-135(244)196-83-139(248)231-63-30-43-129(231)175(286)225-127(87-238)174(285)223-125(85-236)155(266)200-80-136(245)202-96(12)181(292)233-65-32-45-131(233)183(294)234-66-33-46-132(234)182(293)232-64-31-44-130(232)176(287)222-124(84-235)150(190)261)229-170(281)119(71-99-34-19-17-20-35-99)217-166(277)117(69-91(4)5)214-159(270)108(42-29-62-194-184(191)192)212-177(288)146(93(8)9)228-151(262)95(11)203-156(267)111(49-55-141(251)252)208-161(272)112(50-56-142(253)254)209-162(273)113(51-57-143(255)256)210-164(275)115(59-67-295-15)211-160(271)110(47-53-133(188)242)207-157(268)106(40-25-27-60-185)206-172(283)126(86-237)224-167(278)118(70-92(6)7)216-169(280)123(76-145(259)260)220-173(284)128(88-239)226-180(291)149(98(14)241)230-171(282)120(72-100-36-21-18-22-37-100)221-179(290)148(97(13)240)227-138(247)82-199-153(264)109(48-54-140(249)250)204-137(246)81-197-152(263)104(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104,106-132,146-149,195,235-241H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H2,190,261)(H,193,201)(H,196,244)(H,197,263)(H,198,265)(H,199,264)(H,200,266)(H,202,245)(H,203,267)(H,204,246)(H,205,276)(H,206,283)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,271)(H,212,288)(H,213,289)(H,214,270)(H,215,279)(H,216,280)(H,217,277)(H,218,274)(H,219,269)(H,220,284)(H,221,290)(H,222,287)(H,223,285)(H,224,278)(H,225,286)(H,226,291)(H,227,247)(H,228,262)(H,229,281)(H,230,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)"	""	""	""
"1138"	"exendin-(9-39)"	""	"Peptide"	""	""	""	""	"135652151"	"129012199"	""	""	"CHEMBL4070972"	""	""	""	""	""	"avexitide"	"exendin (9-39)|exendin 3 [<i>Heloderma horridum horridum</i> (Mexican beaded lizard)] (9-39)-peptide 39-amide (from INN record)|exendin(9-39)|exendin-(9-39) amide|Exendin-3-(9-39) amide"	"CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)N"	"WSEVKKHALHSUMB-MVNVRWBSSA-N"	"InChI=1S/C149H234N40O47S/c1-14-78(10)120(185-139(227)98(62-81-29-16-15-17-30-81)177-136(224)97(61-76(6)7)175-129(217)88(35-24-53-158-149(156)157)172-144(232)119(77(8)9)184-122(210)79(11)164-126(214)90(41-46-114(199)200)168-131(219)91(42-47-115(201)202)169-132(220)92(43-48-116(203)204)170-134(222)94(50-58-237-13)171-130(218)89(40-45-109(153)194)167-127(215)86(33-20-22-51-150)166-140(228)103(72-192)182-137(225)95(59-74(2)3)174-123(211)84(152)64-118(207)208)145(233)173-93(44-49-117(205)206)133(221)178-99(63-82-66-159-85-32-19-18-31-83(82)85)138(226)176-96(60-75(4)5)135(223)165-87(34-21-23-52-151)128(216)179-100(65-110(154)195)124(212)161-67-111(196)160-69-113(198)186-54-25-36-105(186)142(230)183-104(73-193)141(229)181-102(71-191)125(213)162-68-112(197)163-80(12)146(234)188-56-27-38-107(188)148(236)189-57-28-39-108(189)147(235)187-55-26-37-106(187)143(231)180-101(70-190)121(155)209/h15-19,29-32,66,74-80,84,86-108,119-120,159,190-193H,14,20-28,33-65,67-73,150-152H2,1-13H3,(H2,153,194)(H2,154,195)(H2,155,209)(H,160,196)(H,161,212)(H,162,213)(H,163,197)(H,164,214)(H,165,223)(H,166,228)(H,167,215)(H,168,219)(H,169,220)(H,170,222)(H,171,218)(H,172,232)(H,173,233)(H,174,211)(H,175,217)(H,176,226)(H,177,224)(H,178,221)(H,179,216)(H,180,231)(H,181,229)(H,182,225)(H,183,230)(H,184,210)(H,185,227)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H4,156,157,158)/t78-,79-,80-,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,119-,120-/m0/s1"	""	""	""
"13323"	"exeporfinium"	""	"Synthetic organic"	""	""	""	""	"496703293"	"135456186"	""	""	""	""	""	""	""	"trimethyl-[3-[4-[15-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propyl]azanium"	"exeporfinium chloride"	"XF-73 (exeporfinium chloride)"	"C[N+](C)(C)CCCOC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C(N5)C=C6C=CC2=N6)C7=CC=C(C=C7)OCCC[N+](C)(C)C)C=C4)N3"	"KZTXNPVFWHWJSH-UHFFFAOYSA-N"	"InChI=1S/C44H50N6O2/c1-49(2,3)25-7-27-51-37-17-9-31(10-18-37)43-39-21-13-33(45-39)29-35-15-23-41(47-35)44(42-24-16-36(48-42)30-34-14-22-40(43)46-34)32-11-19-38(20-12-32)52-28-8-26-50(4,5)6/h9-24,29-30,45,48H,7-8,25-28H2,1-6H3/q+2"	""	""	"yes"
"5418"	"exo-THPO"	""	"Synthetic organic"	""	""	""	""	"178102071"	"9989441"	""	""	"CHEMBL150865"	""	""	""	""	"4-amino-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol"	""	""	"NC1CCCc2c1c(O)no2"	"OAJLTKZYCPGQMS-UHFFFAOYSA-N"	"InChI=1S/C7H10N2O2/c8-4-2-1-3-5-6(4)7(10)9-11-5/h4H,1-3,8H2,(H,9,10)"	""	""	""
"586"	"EXP3174"	""	"Synthetic organic"	""	""	""	""	"135650248"	"108185"	""	""	"CHEMBL907"	""	""	""	""	"2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid"	""	"E-3174|EXP 3174|EXP-3174"	"CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl"	"ZEUXAIYYDDCIRX-UHFFFAOYSA-N"	"InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)"	""	""	""
"6816"	"ezetimibe"	""	"Synthetic organic"	"yes"	""	""	""	"178103422"	"150311"	""	""	"CHEMBL1138"	""	""	""	""	"(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one"	"ezetimibe"	"SCH 58235|SCH-58235|Zetia&reg;"	"Oc1ccc(cc1)[C@@H]1[C@@H](CC[C@@H](c2ccc(cc2)F)O)C(=O)N1c1ccc(cc1)F"	"OLNTVTPDXPETLC-XPWALMASSA-N"	"InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1"	""	""	""
"5751"	"ezlopitant"	""	"Synthetic organic"	""	""	""	""	"178102377"	"188927"	""	""	"CHEMBL515966"	""	""	""	""	"(7S,8S)-7-[di(phenyl)methyl]-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine"	"ezlopitant"	"CJ 11974|CJ-11974|CJ11974"	"COc1ccc(cc1CN[C@H]1C2CCN([C@H]1C(c1ccccc1)c1ccccc1)CC2)C(C)C"	"XPNMCDYOYIKVGB-CONSDPRKSA-N"	"InChI=1S/C31H38N2O/c1-22(2)26-14-15-28(34-3)27(20-26)21-32-30-25-16-18-33(19-17-25)31(30)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20,22,25,29-32H,16-19,21H2,1-3H3/t30-,31-/m0/s1"	""	""	""
"11962"	"EZM0414"	""	"Synthetic organic"	""	""	""	""	"464244103"	"163196420"	""	""	""	""	""	""	""	"N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-7-fluoro-4-methyl-1H-indole-2-carboxamide"	""	"EZM-0414"	"CC(=O)N1CCN(CC1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c([nH]1)c(F)ccc2C"	"ZGFOQXUCQAEQHH-SJORKVTESA-N"	"InChI=1S/C22H29FN4O2/c1-14-6-7-19(23)21-18(14)13-20(25-21)22(29)24-16-4-3-5-17(12-16)27-10-8-26(9-11-27)15(2)28/h6-7,13,16-17,25H,3-5,8-12H2,1-2H3,(H,24,29)/t16-,17+/m1/s1"	""	""	""
"11991"	"ezurpimtrostat"	""	"Synthetic organic"	""	""	""	""	"464244132"	"121305180"	""	""	""	""	""	""	""	"4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]quinolin-2-amine"	"ezurpimtrostat"	"GNS-561|GNS561"	"CC(C)(C)NC1CCN(CC1)c1cc(nc2ccccc12)NCc1ccc(cc1)Cl"	"QVXSJSXAVQJXOV-UHFFFAOYSA-N"	"InChI=1S/C25H31ClN4/c1-25(2,3)29-20-12-14-30(15-13-20)23-16-24(28-22-7-5-4-6-21(22)23)27-17-18-8-10-19(26)11-9-18/h4-11,16,20,29H,12-15,17H2,1-3H3,(H,27,28)"	""	""	""
"11110"	"ezutromid"	""	"Synthetic organic"	""	""	""	""	"434122170"	"25109292"	""	""	"CHEMBL1773683"	""	""	""	""	"5-ethylsulfonyl-2-naphthalen-2-yl-1,3-benzoxazole"	"ezutromid"	"5-ethylsulfonyl-NBO|SMT C1100|SMTC 1100|SMTC1100"	"CCS(=O)(=O)c1ccc2c(c1)nc(o2)c1ccc2c(c1)cccc2"	"KSGCNXAZROJSNW-UHFFFAOYSA-N"	"InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3"	""	""	""
"9255"	"F16357"	""	"Synthetic organic"	""	""	""	""	"315661330"	"19323337"	""	""	"CHEMBL559808"	""	""	""	""	"(E)-3-(2-chlorophenyl)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one"	""	"Compound 39 [PMID: 19791800]|Example 1 in WO2007147824"	"Fc1ccc(cc1)CN1CCN(CC1)C(=O)/C=C/c1ccccc1Cl"	"RMDYFILMTQCLCQ-JXMROGBWSA-N"	"InChI=1S/C20H20ClFN2O/c21-19-4-2-1-3-17(19)7-10-20(25)24-13-11-23(12-14-24)15-16-5-8-18(22)9-6-16/h1-10H,11-15H2/b10-7+"	"yes"	""	""
"2171"	"F180"	""	"Peptide"	""	""	""	""	"135652152"	"0"	""	""	""	""	""	""	""	""	""	"[2-hydroxy-3-mercaptopropionic acid-1, Phe-2, Hgn-4. Dab(Abu)-8]OT|F 180"	""	""	""	""	""	""
"10121"	"F215"	""	"Synthetic organic"	""	""	""	""	"381118831"	"132141153"	""	""	""	""	""	""	""	"3-[6-(3-chlorophenyl)hexanoyl]-1,3-oxazolidin-2-one"	""	""	"Clc1cccc(c1)CCCCCC(=O)N1CCOC1=O"	"XNQIFNVZSXXYRQ-UHFFFAOYSA-N"	"InChI=1S/C15H18ClNO3/c16-13-7-4-6-12(11-13)5-2-1-3-8-14(18)17-9-10-20-15(17)19/h4,6-7,11H,1-3,5,8-10H2"	"yes"	""	""
"3574"	"F2L"	"Mouse, Rat"	"Peptide"	""	""	""	""	"178100531"	"0"	"Q9R257|B4F7C7"	"ENSMUSG00000042770|ENSRNOG00000000024"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3935"	"F2L"	"Human"	"Peptide"	""	""	""	""	"178100763"	"0"	"Q9NRV9"	"ENSG00000013583"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1045"	"F2L-[<sup>125</sup>I]Tyr"	""	"Peptide"	""	""	"yes"	"yes"	"135652153"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2400"	"F3"	""	"Synthetic organic"	""	""	""	""	"135650249"	"79091"	""	""	""	""	""	""	""	"1-Chloro-1,2,2-trifluorocyclobutane"	""	""	"FC1(Cl)CCC1(F)F"	"ZZQYDYODFHABLC-UHFFFAOYSA-N"	"InChI=1S/C4H4ClF3/c5-3(6)1-2-4(3,7)8/h1-2H2"	""	""	""
"13554"	"F598"	""	"Antibody"	""	""	""	""	"500839964"	"0"	""	""	"CHEMBL2109546"	""	""	""	""	""	""	"SAR279356"	""	""	""	""	""	"yes"
"12916"	"F7H"	""	"Synthetic organic"	""	""	""	""	"485206037"	"20169956"	""	""	""	""	""	""	""	"4-fluoro-N-[4-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide"	""	""	"FC1=CC=C(C(=O)NC2=CC=C(C=C2)SCC(NC=3SC=C(N3)C4=CC=CC=C4)=O)C=C1"	"GEURGPJRAOYJKC-UHFFFAOYSA-N"	"InChI=1S/C24H18FN3O2S2/c25-18-8-6-17(7-9-18)23(30)26-19-10-12-20(13-11-19)31-15-22(29)28-24-27-21(14-32-24)16-4-2-1-3-5-16/h1-14H,15H2,(H,26,30)(H,27,28,29)"	""	""	""
"14586"	"FabH-IN-2"	""	"Synthetic organic"	""	""	""	""	"530846834"	"170453129"	""	""	"CHEMBL5555396"	""	""	""	""	""	""	""	"COC(=O)C1=CNC2=C1C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCCCO4"	"ZGQFJEQKSDZEGB-UHFFFAOYSA-N"	"InChI=1S/C20H18N2O5/c1-25-20(24)15-11-21-16-10-13(4-5-14(15)16)22-19(23)12-3-6-17-18(9-12)27-8-2-7-26-17/h3-6,9-11,21H,2,7-8H2,1H3,(H,22,23)"	""	""	"yes"
"12771"	"factor XIIa blocking antibody 3F7"	""	"Antibody"	""	""	""	""	"483123319"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14611"	"fadeucravacitinib"	""	"Synthetic organic"	""	""	""	""	"530846859"	"163322129"	""	""	""	""	""	""	""	"6-(cyclopropanecarbonylamino)-N-methyl-4-[3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide"	"fadeucravacitinib"	"compound 3 [US20220259184]"	"[2H]C([2H])([2H])OC1=C(C=CC=C1NC2=CC(=NN=C2C(=O)NC)NC(=O)C3CC3)C4=NN(C=N4)C"	"BZZKEPGENYLQSC-HPRDVNIFSA-N"	"InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)/i3D3"	"yes"	""	""
"10461"	"fadraciclib"	""	"Synthetic organic"	""	""	""	""	"385612221"	"24983461"	""	""	"CHEMBL3655762"	""	""	""	""	"(2R,3S)-3-[[6-[(4,6-dimethylpyridin-3-yl)methylamino]-9-propan-2-ylpurin-2-yl]amino]pentan-2-ol"	"fadraciclib"	"CYC-065|CYC065"	"CC[C@@H]([C@H](O)C)Nc1nc(NCc2cnc(cc2C)C)c2c(n1)n(cn2)C(C)C"	"DLPIYBKBHMZCJI-WBVHZDCISA-N"	"InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27)/t15-,17+/m1/s1"	""	""	""
"8311"	"fadrozole"	""	"Synthetic organic"	"yes"	""	""	""	"252166523"	"59693"	""	""	"CHEMBL9298"	""	""	""	""	"4-(5,6,7,8-tetrahydroimidazo[5,1-f]pyridin-5-yl)benzonitrile"	"fadrozole"	"Afema&reg;|CGS 16949 A|CGS-16949A|FAD 286|FAD-286"	"N#Cc1ccc(cc1)C1CCCc2n1cnc2"	"CLPFFLWZZBQMAO-UHFFFAOYSA-N"	"InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2"	""	""	""
"14595"	"FAH65E(-)"	""	"Synthetic organic"	""	""	""	""	"530846843"	"179075707"	""	""	""	""	""	""	""	"(S)-2-amino-5-(4- (difluoromethoxy)-3-methylphenyl)-3-methyl-5-(3-(pyrimidin-5-yl)phenyl)-3,5-dihydro-4H-imidazol-4-one"	""	"(S)-FAH65"	"NC1=N[C@@](C(N1C)=O)(C2=CC(=CC=C2)C=3C=NC=NC3)C4=CC(=C(C=C4)OC(F)F)C"	"RGHSVQHKNJAFGR-QFIPXVFZSA-N"	"InChI=1S/C22H19F2N5O2/c1-13-8-17(6-7-18(13)31-20(23)24)22(19(30)29(2)21(25)28-22)16-5-3-4-14(9-16)15-10-26-12-27-11-15/h3-12,20H,1-2H3,(H2,25,28)/t22-/m0/s1"	""	""	""
"14628"	"faldoritinib"	""	"Synthetic organic"	""	""	""	""	"530846876"	"167487298"	""	""	""	""	""	""	""	"3-[3-[2-[[(2S)-2-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]propanoyl]amino]ethyl]anilino]-6-ethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide"	"faldoritinib"	"Compound 204 [WO2023129667]"	"N(C=1C(C(N)=O)=NC(CC)=C(N(C(C)C)C)N1)C2=CC(CCNC([C@@H](N(C(/C=C/CN(C)C)=O)C)C)=O)=CC=C2"	"BOKKFLKTQXTMQM-IXDOJHRFSA-N"	"InChI=1S/C29H44N8O3/c1-9-23-28(36(7)19(2)3)34-27(25(33-23)26(30)39)32-22-13-10-12-21(18-22)15-16-31-29(40)20(4)37(8)24(38)14-11-17-35(5)6/h10-14,18-20H,9,15-17H2,1-8H3,(H2,30,39)(H,31,40)(H,32,34)/b14-11+/t20-/m0/s1"	""	""	""
"2781"	"falecalcitriol"	""	"Synthetic organic"	""	""	""	""	"135650250"	"5282190"	""	""	"CHEMBL2106158"	""	""	""	""	"(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol"	"falecalcitriol"	"calcitriol hexafluoride|F6-1&alpha;,25(OH)2D3|ST-630"	"O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCCC(C(F)(F)F)(C(F)(F)F)O)C)C)/C1"	"XPYGGHVSFMUHLH-UUSULHAXSA-N"	"InChI=1S/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9-/t16-,20-,21-,22+,23+,24-/m1/s1"	""	""	""
"7646"	"falnidamol"	""	"Synthetic organic"	""	""	""	""	"223365981"	"6918508"	""	""	"CHEMBL258940"	""	""	""	""	"N-(3-chloro-4-fluorophenyl)-N'-(1-methylpiperidin-4-yl)pyrimido[4,5-e]pyrimidine-4,6-diamine"	"falnidamol"	"BIBX 1382|BIBX-1382|BIBX1382"	"CN1CCC(CC1)Nc1ncc2c(n1)c(ncn2)Nc1ccc(c(c1)Cl)F"	"FTFRZXFNZVCRSK-UHFFFAOYSA-N"	"InChI=1S/C18H19ClFN7/c1-27-6-4-11(5-7-27)25-18-21-9-15-16(26-18)17(23-10-22-15)24-12-2-3-14(20)13(19)8-12/h2-3,8-11H,4-7H2,1H3,(H,21,25,26)(H,22,23,24)"	""	""	""
"14203"	"FAM150A"	"Human"	"Peptide"	""	""	""	""	"518520830"	"0"	""	""	""	""	""	""	""	""	""	"AUG-&beta;|augmentor-&beta;|augmentor-beta"	""	""	""	""	""	""
"14204"	"FAM150B"	"Human"	"Peptide"	""	""	""	""	"518520831"	"0"	""	""	""	""	""	""	""	""	""	"ALKAL2|AUG-&alpha;|augmentor-&alpha;|augmentor-alpha"	""	""	""	""	""	""
"14579"	"FAM237A"	"Human"	"Peptide"	""	""	""	""	"530846827"	"0"	"A0A1B0GTK4"	"ENSG00000235118"	""	""	""	""	""	""	""	"neurosecretory protein GL (NPGL)"	""	""	""	""	""	""
"14578"	"FAM237B"	"Human"	"Peptide"	""	""	""	""	"530846826"	"0"	"A0A1B0GVD1"	"ENSG00000283267"	""	""	""	""	""	""	""	"neurosecretory protein GM (NPGM)"	""	""	""	""	""	""
"11629"	"famciclovir"	""	"Synthetic organic"	"yes"	""	""	""	"442878663"	"3324"	""	""	"CHEMBL880"	""	""	""	""	"[2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)butyl] acetate"	"famciclovir"	"BRL-42810|BRL42810|Famvir&reg;|FCV"	"CC(=O)OCC(CCn1cnc2c1nc(N)nc2)COC(=O)C"	"GGXKWVWZWMLJEH-UHFFFAOYSA-N"	"InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)"	""	""	""
"7886"	"famitinib"	""	"Synthetic organic"	"yes"	""	""	""	"249565577"	"16662431"	""	""	"CHEMBL1278146"	""	""	""	""	"5-(2-diethylaminoethyl)-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[4,5-c]pyridin-4-one"	"famitinib"	"Abit&reg; (China)|compound 9 [PMID: 21028894]|SHR 1020|SHR-1020|SHR1020"	"CCN(CCN1CCc2c(C1=O)c(C)c([nH]2)/C=C/1\C(=O)Nc2c1cc(F)cc2)CC"	"GKEYKDOLBLYGRB-LGMDPLHJSA-N"	"InChI=1S/C23H27FN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13-"	""	""	""
"13267"	"famlasertib"	""	"Synthetic organic"	""	""	""	""	"491300049"	"154677753"	""	""	"CHEMBL5413518"	""	""	""	""	"2-[4-[[4-[3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]piperazin-1-yl]ethanol"	"famlasertib"	"compound 12k [PMID: 31676236]|Prosetin|Prostetin"	"OCCN1CCN(CC2=CC=C(C=C2)C3=CC4=C(NC=C4C5=CC=CC(Cl)=C5)N=C3)CC1"	"VZJUKEQMHBEIKH-UHFFFAOYSA-N"	"InChI=1S/C26H27ClN4O/c27-23-3-1-2-21(14-23)25-17-29-26-24(25)15-22(16-28-26)20-6-4-19(5-7-20)18-31-10-8-30(9-11-31)12-13-32/h1-7,14-17,32H,8-13,18H2,(H,28,29)"	""	""	""
"7074"	"famotidine"	""	"Synthetic organic"	"yes"	""	""	""	"178103653"	"5702160"	""	""	"CHEMBL902"	""	""	""	""	"3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide"	"famotidine"	"Gaster&reg;|MK-208|Pepcid&reg;"	"NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N"	"XUFQPHANEAPEMJ-UHFFFAOYSA-N"	"InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)"	""	""	""
"2416"	"fampridine"	""	"Synthetic organic"	"yes"	""	""	""	"135649796"	"1727"	""	""	"CHEMBL284348"	""	""	""	""	"pyridin-4-amine"	"fampridine"	"4-aminopyridine|4-AP|Ampyra&reg;|EL-970"	"Nc1ccncc1"	"NUKYPUAOHBNCPY-UHFFFAOYSA-N"	"InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)"	""	""	""
"5434"	"fananserin"	""	"Synthetic organic"	""	""	""	""	"178102086"	"60785"	""	""	"CHEMBL83894"	""	""	""	""	"3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-2$l^{6}-thia-3-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4(12),5,7,9-pentaene-2,2-dione"	"fananserin"	"RP 62203|RP-62203|RP62203"	"Fc1ccc(cc1)N1CCN(CC1)CCCN1c2cccc3c2c(S1(=O)=O)ccc3"	"VGIGHGMPMUCLIQ-UHFFFAOYSA-N"	"InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2"	""	""	""
"7636"	"fanapanel"	""	"Synthetic organic"	""	""	""	""	"223365971"	"208953"	""	""	"CHEMBL19892"	""	""	""	""	"[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid"	"fanapanel"	"ZK 200775|ZK-200775|ZK200775"	"O=c1[nH]c2cc(c(cc2n(c1=O)CP(=O)(O)O)N1CCOCC1)C(F)(F)F"	"WZMQMKNCWDCCMT-UHFFFAOYSA-N"	"InChI=1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25)"	""	""	""
"10807"	"fandofloxacin"	""	"Synthetic organic"	""	""	""	""	"405560248"	"178087"	""	""	"CHEMBL2106560"	""	""	""	""	"6-fluoro-1-(5-fluoropyridin-2-yl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid"	"fandofloxacin"	"DW-116|DW116"	"CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2c1ccc(cn1)F)C(=O)O"	"AWCAUUQZTXYMPB-UHFFFAOYSA-N"	"InChI=1S/C20H18F2N4O3/c1-24-4-6-25(7-5-24)17-9-16-13(8-15(17)22)19(27)14(20(28)29)11-26(16)18-3-2-12(21)10-23-18/h2-3,8-11H,4-7H2,1H3,(H,28,29)"	""	""	"yes"
"14520"	"fangchinoline"	""	"Natural product"	""	""	""	""	"528429841"	"73481"	""	""	"CHEMBL504256"	""	""	""	""	""	""	"7-O-demethyltetrandrine|Hanfangichin B|Tetrandrine B"	"CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC"	"IIQSJHUEZBTSAT-VMPREFPWSA-N"	"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1"	"yes"	""	""
"13494"	"fanregratinib"	""	"Synthetic organic"	""	""	""	""	"500839904"	"86304165"	""	""	""	""	""	""	""	"4-chloro-3-[2-[2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]anilino]pyrimidin-5-yl]ethyl]-5-methoxy-N-methylbenzamide"	"fanregratinib"	"Compound 78 [WO2014139465]"	"C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)NC3=NC=C(C=N3)CCC4=C(C(=CC(=C4)C(=O)NC)OC)Cl"	"LVQABCJAWBLTAO-HDICACEKSA-N"	"InChI=1S/C27H33ClN6O2/c1-17-15-34(16-18(2)32-17)23-9-7-22(8-10-23)33-27-30-13-19(14-31-27)5-6-20-11-21(26(35)29-3)12-24(36-4)25(20)28/h7-14,17-18,32H,5-6,15-16H2,1-4H3,(H,29,35)(H,30,31,33)/t17-,18+"	""	""	""
"2672"	"farglitazar"	""	"Synthetic organic"	""	""	""	""	"135650251"	"170364"	""	""	"CHEMBL107367"	""	""	""	""	"(2S)-2-[[2-(benzoyl)phenyl]amino]-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid"	"farglitazar"	"GI-262570X"	"OC(=O)[C@@H](Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1"	"ZZCHHVUQYRMYLW-HKBQPEDESA-N"	"InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1"	""	""	""
"11420"	"faricimab"	""	"Antibody"	"yes"	""	""	""	"440816789"	"0"	""	""	""	""	""	""	""	""	"faricimab"	"faricimab-svoa|RG-7716|RG7716|RO-6867461|RO6867461|Vabysmo&reg;"	""	""	""	""	""	""
"3215"	"farnesol"	""	"Natural product"	""	""	""	""	"135651486"	"3327"	""	""	""	""	""	""	""	"3,7,11-trimethyldodeca-2,6,10-trien-1-ol"	""	"FCI 119a"	"OCC=C(CCC=C(CCC=C(C)C)C)C"	"CRDAMVZIKSXKFV-UHFFFAOYSA-N"	"InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3"	""	""	""
"2910"	"farnesyl diphosphate"	""	"Metabolite"	""	""	""	""	"135651487"	"11132720"	""	""	""	""	""	""	""	"phosphono [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate"	""	"farnesyl pyrophosphate (FPP)|FDP"	"C/C(=C/COP(=O)(OP(=O)(O)O)O)/CC/C=C(\CCC=C(C)C)/C"	"VWFJDQUYCIWHTN-FBXUGWQNSA-N"	"InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9-,15-11-"	""	""	""
"2911"	"farnesyl monophosphate"	""	"Metabolite"	""	""	""	""	"135651488"	"6440220"	""	""	""	""	""	""	""	"[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate"	""	"FMP"	"C/C(=C/CC/C(=C\COP(=O)(O)O)/C)/CCC=C(C)C"	"ALEWCKXBHSDCCT-FBXUGWQNSA-N"	"InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9-,15-11-"	""	""	""
"3216"	"farnesyl thiodiphosphate"	""	"Synthetic organic"	""	""	""	""	"135650252"	"56947069"	""	""	""	""	""	""	""	"sulfanyl[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl phosphonato)oxy]phosphinate"	""	"farnesyl thiopyrophosphate|FSPP"	"CC(=CCOP(=O)(OP(=O)(S)[O-])[O-])CCC=C(CCC=C(C)C)C"	"DRADWUUFBCYMDM-UHFFFAOYSA-L"	"InChI=1S/C15H28O6P2S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-20-22(16,17)21-23(18,19)24/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,16,17)(H2,18,19,24)/p-2"	""	""	""
"10549"	"faronoltinib"	""	"Synthetic organic"	""	""	""	""	"404858998"	"139600335"	""	""	""	""	""	""	""	"2-((1-(2-Fluoro-4-((4-(1-isopropyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol"	"faronoltinib"	"compound 18e [PMID: 31670517]"	"OCCN(C1CCN(CC1)c1ccc(cc1F)Nc1ncc(c(n1)c1cnn(c1)C(C)C)C)C"	"CVLXNRIQVFIVGY-UHFFFAOYSA-N"	"InChI=1S/C25H34FN7O/c1-17(2)33-16-19(15-28-33)24-18(3)14-27-25(30-24)29-20-5-6-23(22(26)13-20)32-9-7-21(8-10-32)31(4)11-12-34/h5-6,13-17,21,34H,7-12H2,1-4H3,(H,27,29,30)"	"yes"	""	""
"10808"	"faropenem"	""	"Synthetic organic"	"yes"	""	""	""	"405560249"	"65894"	""	""	"CHEMBL556262"	""	""	""	""	"(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	"faropenem"	"compound 1 [PMID: 9216830]|faropenem medoxomil|fropenem"	"C[C@H]([C@H]1C(=O)N2[C@@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O"	"HGGAKXAHAYOLDJ-FHZUQPTBSA-N"	"InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1"	""	""	"yes"
"12106"	"farudodstat"	""	"Synthetic organic"	""	""	""	""	"472319228"	"24986824"	""	""	"CHEMBL2263632"	""	""	""	""	"2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid"	"farudodstat"	"ASLAN-003|ASLAN003|LAS186323"	"COc1cccc(c1)c1cc(c(c(c1)F)Nc1c(cccn1)C(=O)O)F"	"OMPATGZMNFWVOH-UHFFFAOYSA-N"	"InChI=1S/C19H14F2N2O3/c1-26-13-5-2-4-11(8-13)12-9-15(20)17(16(21)10-12)23-18-14(19(24)25)6-3-7-22-18/h2-10H,1H3,(H,22,23)(H,24,25)"	""	""	""
"5969"	"fascaplysin"	""	"Natural product"	""	""	""	""	"178102592"	"73293"	""	""	"CHEMBL602937"	""	""	""	""	""	""	""	"O=C1c2c3[nH]c4c(c3cc[n+]2c2c1cccc2)cccc4"	"WYQIPCUPNMRAKP-UHFFFAOYSA-O"	"InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1"	""	""	""
"14431"	"fasedienol"	""	"Synthetic organic"	""	""	""	""	"528429752"	"9925482"	""	""	"CHEMBL5095042"	""	""	""	""	"(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol"	"fasedienol"	"4-androstadienol|[3&beta;]-androsta-4,16-dien-3-ol|aloradine|PH-94B|PH94B"	"C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CCC4=C[C@H](CC[C@]34C)O"	"NYVFCEPOUVGTNP-DYKIIFRCSA-N"	"InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,12,14-17,20H,4-8,10-11H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1"	""	""	""
"6501"	"fasidotril"	""	"Synthetic organic"	""	""	""	""	"178103115"	"5311337"	""	""	"CHEMBL325695"	""	""	""	""	"phenylmethyl (2S)-2-[[(2S)-2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-5-yl)propanoyl]amino]propanoate"	"fasidotril"	"aladotril|BP-1137"	"CC(=O)SC[C@H](C(=O)N[C@H](C(=O)OCc1ccccc1)C)Cc1ccc2c(c1)OCO2"	"KKBIUAUSZKGNOA-HNAYVOBHSA-N"	"InChI=1S/C23H25NO6S/c1-15(23(27)28-12-17-6-4-3-5-7-17)24-22(26)19(13-31-16(2)25)10-18-8-9-20-21(11-18)30-14-29-20/h3-9,11,15,19H,10,12-14H2,1-2H3,(H,24,26)/t15-,19+/m0/s1"	""	""	""
"6502"	"fasidotrilat"	""	"Synthetic organic"	""	""	""	""	"178103116"	"6450805"	""	""	"CHEMBL325055"	""	""	""	""	"(2S)-2-[[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanylpropanoyl]amino]propanoic acid"	""	""	"SC[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccc2c(c1)OCO2"	"TXSINLUUGRGAJO-WCBMZHEXSA-N"	"InChI=1S/C14H17NO5S/c1-8(14(17)18)15-13(16)10(6-21)4-9-2-3-11-12(5-9)20-7-19-11/h2-3,5,8,10,21H,4,6-7H2,1H3,(H,15,16)(H,17,18)/t8-,10+/m0/s1"	""	""	""
"6484"	"fasiglifam"	""	"Synthetic organic"	""	""	""	""	"178103098"	"24857286"	""	""	"CHEMBL1829174"	""	""	""	""	"2-[(3S)-6-({3-[4-(3-methanesulfonylpropoxy)-2,6-dimethylphenyl]phenyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid"	"fasiglifam"	"TAK 875|TAK-875|TAK875"	"OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C"	"BZCALJIHZVNMGJ-HSZRJFAPSA-N"	"InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1"	""	""	""
"8965"	"fasinumab"	""	"Antibody"	""	""	""	""	"310264745"	"0"	""	""	""	""	""	""	""	""	"fasinumab"	"REGN475|SAR164877"	""	""	""	""	""	""
"5078"	"Fas ligand"	"Human"	"Peptide"	""	""	""	""	"178101771"	"0"	"P48023"	"ENSG00000117560"	""	""	""	""	""	""	""	"apoptosis antigen ligand|CD95L"	""	""	""	"yes"	""	""
"5181"	"fasudil"	""	"Synthetic organic"	"yes"	""	""	""	"178101871"	"3547"	""	""	"CHEMBL38380"	""	""	""	""	"5-(1,4-diazepane-1-sulfonyl)isoquinoline"	"fasudil"	"dihydrochloride fasudil|HA 1077|HA1077"	"O=S(=O)(c1cccc2c1ccnc2)N1CCNCCC1"	"NGOGFTYYXHNFQH-UHFFFAOYSA-N"	"InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2"	""	""	""
"974"	"FAUC213"	""	"Synthetic organic"	""	""	""	""	"135650253"	"10336538"	""	""	"CHEMBL310843"	""	""	""	""	"2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine"	""	""	"Clc1ccc(cc1)N1CCN(CC1)Cc1cc2n(n1)cccc2"	"DTRXURJDKOYCCD-UHFFFAOYSA-N"	"InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)14-16-13-18-3-1-2-8-23(18)20-16/h1-8,13H,9-12,14H2"	""	""	""
"11139"	"favipiravir"	""	"Synthetic organic"	"yes"	""	""	""	"434122199"	"492405"	""	""	"CHEMBL221722"	""	""	""	""	"5-fluoro-2-oxo-1H-pyrazine-3-carboxamide"	"favipiravir"	"T-705|T705"	"Fc1c[nH]c(=O)c(n1)C(=O)N"	"ZCGNOVWYSGBHAU-UHFFFAOYSA-N"	"InChI=1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)"	""	""	""
"14135"	"fazamorexant"	""	"Synthetic organic"	"yes"	""	""	""	"518520762"	"156889652"	""	""	"CHEMBL5314459"	""	""	""	""	"[(1S,2R,5S)-2-[(5-fluoropyridin-2-yl)oxymethyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone"	"fazamorexant"	"compound of formula (II) [US20230149402]|YZJ 1139|YZJ-1139|YZJ1139"	"CC1=CC(=C(C=C1)C2=NC=CC=N2)C(=O)N3[C@H]4CC[C@H]([C@@H]3CC4)COC5=NC=C(C=C5)F"	"PMJPLAGTPPVSRL-JLMWRMLUSA-N"	"InChI=1S/C25H25FN4O2/c1-16-3-8-20(24-27-11-2-12-28-24)21(13-16)25(31)30-19-6-4-17(22(30)9-7-19)15-32-23-10-5-18(26)14-29-23/h2-3,5,8,10-14,17,19,22H,4,6-7,9,15H2,1H3/t17-,19-,22-/m0/s1"	""	""	""
"14727"	"fazirsiran"	""	"Nucleic acid"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"fazirsiran"	"ADS-001|ADS001|ARO-AAT"	""	""	""	""	""	""
"1182"	"FD-1"	""	"Synthetic organic"	""	""	""	""	"135650254"	"10279142"	""	""	""	""	""	""	""	"5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide"	""	""	"COc1nc(OC)c(c(n1)OC)NC(=O)c1ccc(o1)Oc1cc2c(cc1C)C(C)(C)C(CC2(C)C)C"	"JTFNDUMPCFHPFC-UHFFFAOYSA-N"	"InChI=1S/C28H35N3O6/c1-15-12-18-17(27(3,4)14-16(2)28(18,5)6)13-20(15)37-21-11-10-19(36-21)23(32)29-22-24(33-7)30-26(35-9)31-25(22)34-8/h10-13,16H,14H2,1-9H3,(H,29,32)"	""	""	""
"10214"	"FD1"	""	"Synthetic organic"	""	""	""	""	"381744896"	"137553156"	""	""	""	""	""	""	""	"(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-10,10b-dihydroxy-6-{[(2-isothiocyanatoethyl)amino]methoxy}-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho[2,1-b]pyran-5-yl acetate"	""	"6-[N-(2-isothiocyanatoethyl) aminocarbonyl]forskolin"	"S=C=NCCNCO[C@@H]1[C@H](OC(=O)C)[C@@]2(C)O[C@@](C)(C=C)CC(=O)[C@@]2([C@@]2([C@@H]1C(C)(C)CC[C@@H]2O)C)O"	"RWDRIGNPXMZENV-CLFUUGQNSA-N"	"InChI=1S/C26H40N2O7S/c1-8-23(5)13-18(31)26(32)24(6)17(30)9-10-22(3,4)20(24)19(33-14-27-11-12-28-15-36)21(34-16(2)29)25(26,7)35-23/h8,17,19-21,27,30,32H,1,9-14H2,2-7H3/t17-,19-,20-,21-,23-,24-,25+,26-/m0/s1"	""	""	""
"10215"	"FD6"	""	"Synthetic organic"	""	""	""	""	"381744897"	"137553157"	""	""	""	""	""	""	""	"(3S,4aR,5S,6S,6aS,10S,10aR,10bS)-6-({[2-(dimethylamino)ethyl]amino}methoxy)-3-ethyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho[2,1-b]pyran-5-yl acetate"	""	"6-[3-(dimethylamino)propionyl]-14 15-dihydroforskolin"	"CC[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)OCNCCN(C)C)O"	"MTINGHUODSDGHI-JDHRZFKJSA-N"	"InChI=1S/C27H48N2O7/c1-10-24(5)15-19(32)27(33)25(6)18(31)11-12-23(3,4)21(25)20(34-16-28-13-14-29(8)9)22(35-17(2)30)26(27,7)36-24/h18,20-22,28,31,33H,10-16H2,1-9H3/t18-,20-,21-,22-,24-,25-,26+,27-/m0/s1"	""	""	""
"6817"	"febuxostat"	""	"Synthetic organic"	"yes"	""	""	""	"178103423"	"134018"	""	""	"CHEMBL1164729"	""	""	""	""	"2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid"	"febuxostat"	"Adenuric&reg;|MX-67|Tei 6720|Tei-6720|TMX 67|Uloric&reg;"	"N#Cc1cc(ccc1OCC(C)C)c1nc(c(s1)C(=O)O)C"	"BQSJTQLCZDPROO-UHFFFAOYSA-N"	"InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)"	""	""	""
"5716"	"fedratinib"	""	"Synthetic organic"	"yes"	""	""	""	"178102342"	"16722836"	""	""	"CHEMBL1287853"	""	""	""	""	"N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzene-1-sulfonamide"	"fedratinib"	"Inrebic&reg;|SAR302503|TG-101348|TG101348"	"Cc1cnc(nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C)Nc1ccc(cc1)OCCN1CCCC1"	"JOOXLOJCABQBSG-UHFFFAOYSA-N"	"InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)"	""	""	""
"11649"	"feladilimab"	""	"Antibody"	""	""	""	""	"442878675"	"0"	""	""	""	""	""	""	""	""	"feladilimab"	"GSK-3359609"	""	""	""	""	""	""
"5473"	"felbamate"	""	"Synthetic organic"	"yes"	""	""	""	"178102122"	"3331"	""	""	"CHEMBL1094"	""	""	""	""	"3-(carbamoyloxy)-2-phenylpropyl carbamate"	"felbamate"	"ADD 03055|Felbatol&reg;|W 554"	"NC(=O)OCC(c1ccccc1)COC(=O)N"	"WKGXYQFOCVYPAC-UHFFFAOYSA-N"	"InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)"	""	""	""
"10979"	"feldamycin"	""	"Natural product"	""	""	""	""	"405560420"	"10409115"	""	""	""	""	""	""	""	"3-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-[[3-(1H-imidazol-5-yl)-2-(methylamino)propanoyl]amino]butanoic acid"	""	"BMY-28565|BMY28565|U-48266"	"CNC(C(=O)NC(C(NC(C(=O)O)Cc1cnc[nH]1)C)C(=O)O)Cc1cnc[nH]1"	"LUOBEJSTJAVJPL-UHFFFAOYSA-N"	"InChI=1S/C17H25N7O5/c1-9(23-13(16(26)27)4-11-6-20-8-22-11)14(17(28)29)24-15(25)12(18-2)3-10-5-19-7-21-10/h5-9,12-14,18,23H,3-4H2,1-2H3,(H,19,21)(H,20,22)(H,24,25)(H,26,27)(H,28,29)"	""	""	"yes"
"4190"	"felodipine"	""	"Synthetic organic"	"yes"	""	""	""	"178101007"	"3333"	""	""	"CHEMBL1480"	""	""	""	""	"3-ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate"	"felodipine"	"Plandil&reg;|Renedil&reg;"	"CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C"	"RZTAMFZIAATZDJ-UHFFFAOYSA-N"	"InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3"	""	""	""
"13455"	"felzartamab"	""	"Antibody"	"yes"	""	""	""	"500839865"	"0"	""	""	""	""	""	""	""	""	"felzartamab"	"Jingfei&reg; (China)|MOR-03087|MOR-202|MOR03087|MOR202"	""	""	""	"yes"	""	""
"5240"	"fenclonine"	""	"Synthetic organic"	""	""	""	""	"178101924"	"4652"	""	""	"CHEMBL1256351"	""	""	""	""	"2-amino-3-(4-chlorophenyl)propanoic acid"	"fenclonine"	"4-chlorophenylalanine|<i>p</i>-Chlorophenylalanine|para-chlorophenylalanine|PCPA"	"NC(C(=O)O)Cc1ccc(cc1)Cl"	"NIGWMJHCCYYCSF-UHFFFAOYSA-N"	"InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)"	""	""	""
"9299"	"fenebrutinib"	""	"Synthetic organic"	""	""	""	""	"318164818"	"86567195"	""	""	""	""	""	""	""	"(S)-2-(3'-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4'-bipyridin]-2'-yl)-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one"	"fenebrutinib"	"Example 130 [US20140194408]|GDC-0853|GDC0853|RG-7845|RG7845"	"OCc1c(ccnc1N1CCn2c(C1=O)cc1c2CC(C1)(C)C)c1cc(Nc2ccc(cn2)N2CCN(C[C@@H]2C)C2COC2)c(=O)n(c1)C"	"WNEODWDFDXWOLU-QHCPKHFHSA-N"	"InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1"	"yes"	""	""
"4613"	"fenfluramine"	""	"Synthetic organic"	"yes"	""	""	""	"178101333"	"3337"	""	""	"CHEMBL87493"	""	""	""	""	"ethyl({1-[3-(trifluoromethyl)phenyl]propan-2-yl})amine"	"dexfenfluramine|fenfluramine"	"Adifax&reg;|Fintepla&reg;|Pondimin&reg;|ZX008"	"CCNC(Cc1cccc(c1)C(F)(F)F)C"	"DBGIVFWFUFKIQN-UHFFFAOYSA-N"	"InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3"	""	""	""
"1434"	"fenobam"	""	"Synthetic organic"	""	""	""	""	"135650255"	"135497698"	""	""	"CHEMBL239800"	""	""	""	""	"3-(3-chlorophenyl)-1-(1-methyl-4-oxo-5H-imidazol-2-yl)urea"	"fenobam"	"MCN-3377-98"	"O=C(NC1=NC(=O)CN1C)Nc1cccc(c1)Cl"	"DWPQODZAOSWNHB-UHFFFAOYSA-N"	"InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)"	""	""	""
"7186"	"fenofibrate"	""	"Synthetic organic"	"yes"	""	""	""	"178103761"	"3339"	""	""	"CHEMBL672"	""	""	""	""	"propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate"	"fenofibrate"	"ABT-335|Lipantil&reg;|Supralip&reg;|Tricor&reg;"	"CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C"	"YMTINGFKWWXKFG-UHFFFAOYSA-N"	"InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3"	""	""	""
"2662"	"fenofibric acid"	""	"Synthetic organic"	""	""	""	""	"135650256"	"64929"	""	""	"CHEMBL981"	""	""	""	""	"2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid"	""	""	"Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C"	"MQOBSOSZFYZQOK-UHFFFAOYSA-N"	"InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)"	""	""	""
"939"	"fenoldopam"	""	"Synthetic organic"	"yes"	""	""	""	"135651054"	"3341"	""	""	"CHEMBL588"	""	""	""	""	"6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol"	"fenoldopam"	"Corlopam&reg;|SK&F-82526J|SK-82526-J"	"Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O"	"TVURRHSHRRELCG-UHFFFAOYSA-N"	"InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2"	""	""	""
"4820"	"fenoprofen"	""	"Synthetic organic"	"yes"	""	""	""	"178101522"	"3342"	""	""	"CHEMBL1297"	""	""	""	""	"2-(3-phenoxyphenyl)propanoic acid"	"fenoprofen"	"fenoprofen calcium|Nalfon&reg;"	"OC(=O)C(c1cccc(c1)Oc1ccccc1)C"	"RDJGLLICXDHJDY-UHFFFAOYSA-N"	"InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)"	"yes"	""	""
"557"	"fenoterol"	""	"Synthetic organic"	"yes"	""	""	""	"135650257"	"3343"	""	""	"CHEMBL32800"	""	""	""	""	"5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol"	"fenoterol"	"Berotec&reg;|TH-1165A"	"CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O"	"LSLYOANBFKQKPT-UHFFFAOYSA-N"	"InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3"	""	""	""
"1626"	"fentanyl"	""	"Synthetic organic"	"yes"	""	""	""	"135650258"	"3345"	""	""	"CHEMBL596"	""	""	""	""	"N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide"	"fentanyl"	"Abstral&reg;|Actiq&reg;|Durogesic&reg;|Effentora&reg;|MCN-JR-4263-49|R-4263|Sublimaze&reg;"	"CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1"	"PJMPHNIQZUBGLI-UHFFFAOYSA-N"	"InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3"	""	""	""
"8898"	"FERb 033"	""	"Synthetic organic"	""	""	""	""	"310264679"	"136772757"	""	""	""	""	""	""	""	"2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(1E)-(hydroxyimino)methyl]phenol"	""	"compound 3 [PMID: 19128016]|DPN"	"O/N=C/c1ccc(c(c1O)Cl)c1ccc(c(c1)F)O"	"LRRMQNGSYOUANY-OMCISZLKSA-N"	"InChI=1S/C13H9ClFNO3/c14-12-9(3-1-8(6-16-19)13(12)18)7-2-4-11(17)10(15)5-7/h1-6,17-19H/b16-6+"	""	""	""
"10966"	"Ferrimycin A1"	""	"Natural product"	""	""	""	""	"405560407"	"161123"	""	""	""	""	""	""	""	"iron(3+);methyl 6-[3-[5-[[4-[5-[[4-[5-[acetyl(oxido)amino]pentylamino]-4-oxobutanoyl]-oxidoamino]pentylamino]-4-oxobutanoyl]-oxidoamino]pentylcarbamoyl]-5-hydroxyanilino]-4-amino-5-hydroxy-5-(hydroxymethyl)-6-methyl-2-oxopiperidine-3-carboximidate"	""	""	"O=CN(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)c1cc(O)cc(c1)NC1(C)NC(=O)C(C(C1(O)CO)N)C(=N)OC)[O-])[O-])[O-].[Fe+3]"	"GYDPFTRJZUGPNF-UHFFFAOYSA-N"	"InChI=1S/C40H63N10O14.Fe/c1-39(40(60,25-51)35(41)34(36(42)64-2)38(59)47-39)46-28-22-27(23-29(53)24-28)37(58)45-18-8-5-11-21-50(63)33(57)15-13-31(55)44-17-7-4-10-20-49(62)32(56)14-12-30(54)43-16-6-3-9-19-48(61)26-52;/h22-24,26,34-35,42,46,51,53,60H,3-21,25,41H2,1-2H3,(H,43,54)(H,44,55)(H,45,58)(H,47,59);/q-3;+3"	""	""	"yes"
"9972"	"ferroquine"	""	"Synthetic organic"	""	""	""	""	"374883859"	"56841801"	""	""	""	""	""	""	""	""	"ferroquine"	"SSR97193"	"CN(CC1=C(CNc2ccnc3c2ccc(c3)Cl)C=C(C1)[Fe]C1=CC=CC1)C"	"IRJOHJGUSPNBRI-UHFFFAOYSA-N"	"InChI=1S/C18H19ClN3.C5H5.Fe/c1-22(2)12-14-5-3-4-13(14)11-21-17-8-9-20-18-10-15(19)6-7-16(17)18;1-2-4-5-3-1;/h4,6-10H,5,11-12H2,1-2H3,(H,20,21);1-3H,4H2;"	""	"yes"	""
"9341"	"fertirelin"	""	"Peptide"	""	""	""	""	"328083444"	"188304"	""	""	""	""	""	""	""	"(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide"	""	""	"CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)CO)CC(C)C)CCCN=C(N)N"	"DGCPIBPDYFLAAX-YTAGXALCSA-N"	"InChI=1S/C55H76N16O12/c1-4-59-53(82)44-12-8-20-71(44)54(83)38(11-7-19-60-55(56)57)66-49(78)39(21-30(2)3)65-46(75)27-62-47(76)40(22-31-13-15-34(73)16-14-31)67-52(81)43(28-72)70-50(79)41(23-32-25-61-36-10-6-5-9-35(32)36)68-51(80)42(24-33-26-58-29-63-33)69-48(77)37-17-18-45(74)64-37/h5-6,9-10,13-16,25-26,29-30,37-44,61,72-73H,4,7-8,11-12,17-24,27-28H2,1-3H3,(H,58,63)(H,59,82)(H,62,76)(H,64,74)(H,65,75)(H,66,78)(H,67,81)(H,68,80)(H,69,77)(H,70,79)(H4,56,57,60)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1"	""	""	""
"14081"	"fesomersen"	""	"Nucleic acid"	""	""	""	""	"518520708"	"0"	""	""	""	""	""	""	""	""	"fesomersen"	"BAY-2976217|BAY2976217|IONIS FXI-LRx|IONIS-FXI-LRx"	""	""	""	""	""	""
"7473"	"fesoterodine"	""	"Synthetic organic"	"yes"	""	""	""	"187051776"	"6918558"	""	""	"CHEMBL1201764"	""	""	""	""	"[2-[(1R)-3-(di(propan-2-yl)amino)-1-phenylpropyl]-4-(hydroxymethyl)phenyl] 2-methylpropanoate"	"fesoterodine"	"SPM-8272|SPM-907|Toviaz&reg;"	"OCc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)OC(=O)C(C)C"	"DCCSDBARQIPTGU-HSZRJFAPSA-N"	"InChI=1S/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3/t23-/m1/s1"	""	""	""
"8995"	"fevipiprant"	""	"Synthetic organic"	""	""	""	""	"310264773"	"23582412"	""	""	"CHEMBL3137332"	""	""	""	""	"2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]pyrrolo[5,4-b]pyridin-3-yl]acetic acid"	"fevipiprant"	"NVP-QAW039|QAW039"	"OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1C(F)(F)F)S(=O)(=O)C"	"GFPPXZDRVCSVNR-UHFFFAOYSA-N"	"InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)"	"yes"	""	""
"7707"	"fexagratinib"	""	"Synthetic organic"	""	""	""	""	"223366040"	"51039095"	""	""	""	""	""	""	""	"N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide"	"fexagratinib"	"ABSK-091|ABSK091|AZD-4547|KB-74810"	"COc1cc(CCc2[nH]nc(c2)NC(=O)c2ccc(cc2)N2C[C@H](C)N[C@@H](C2)C)cc(c1)OC"	"VRQMAABPASPXMW-HDICACEKSA-N"	"InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+"	""	""	""
"2744"	"fexaramine"	""	"Synthetic organic"	""	""	""	""	"135650259"	"5326713"	""	""	"CHEMBL192966"	""	""	""	""	"methyl (Z)-3-[3-[cyclohexanecarbonyl-[[4-(4-dimethylaminophenyl)phenyl]methyl]amino]phenyl]prop-2-enoate"	""	"FEX"	"COC(=O)/C=C/c1cccc(c1)N(C(=O)C1CCCCC1)Cc1ccc(cc1)c1ccc(cc1)N(C)C"	"VLQTUNDJHLEFEQ-KGENOOAVSA-N"	"InChI=1S/C32H36N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-22,28H,4-6,9-10,23H2,1-3H3/b21-14+"	""	""	""
"4819"	"fexofenadine"	""	"Synthetic organic"	"yes"	""	""	""	"178101521"	"3348"	""	""	"CHEMBL914"	""	""	""	""	"2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid"	"fexofenadine"	"Allegra&reg;|fexofenadine HCl"	"OC(=O)C(c1ccc(cc1)C(CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)O)(C)C"	"RWTNPBWLLIMQHL-UHFFFAOYSA-N"	"InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)"	"yes"	""	""
"9281"	"fezakinumab"	""	"Antibody"	""	""	""	""	"318164800"	"0"	""	""	""	""	""	""	""	""	"fezakinumab"	"ILV-094"	""	""	""	"yes"	""	""
"10422"	"fezolinetant"	""	"Synthetic organic"	"yes"	""	""	""	"385612182"	"117604931"	""	""	"CHEMBL3608680"	""	""	""	""	"(4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone"	"fezolinetant"	"compound 3 [PMID:26191358]|ESN-364|ESN364|Veoza&reg;|Veozah&reg;|Vezoa&reg;"	"Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C"	"PPSNFPASKFYPMN-SECBINFHSA-N"	"InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1"	""	""	""
"13854"	"FG-2101"	""	"Synthetic organic"	""	""	""	""	"513757539"	"168181248"	""	""	""	""	""	""	""	"[4-[(2S)-3-(3-cyanoazetidin-1-yl)-2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propyl]-6-oxo-1H-pyrimidin-5-yl] dihydrogen phosphate"	""	""	"C1COCCN1CC2=CC=C(C=C2)C#CC3=CC=C(C=C3)[C@H](CC4=C(C(=O)NC=N4)OP(=O)(O)O)CN5CC(C5)C#N"	"MTAPQGVXYZUOBV-HHHXNRCGSA-N"	"InChI=1S/C30H32N5O6P/c31-16-25-18-35(19-25)20-27(15-28-29(41-42(37,38)39)30(36)33-21-32-28)26-9-7-23(8-10-26)2-1-22-3-5-24(6-4-22)17-34-11-13-40-14-12-34/h3-10,21,25,27H,11-15,17-20H2,(H,32,33,36)(H2,37,38,39)/t27-/m1/s1"	""	""	"yes"
"13"	"FG-5893"	""	"Synthetic organic"	""	""	""	""	"135650260"	"127728"	""	""	""	""	""	""	""	"methyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate"	""	"FG 5893|FG5893"	"COC(=O)c1cccnc1N1CCN(CC1)CCCC(c1ccc(cc1)F)c1ccc(cc1)F"	"NDCPNKXUTJGQQC-UHFFFAOYSA-N"	"InChI=1S/C27H29F2N3O2/c1-34-27(33)25-4-2-14-30-26(25)32-18-16-31(17-19-32)15-3-5-24(20-6-10-22(28)11-7-20)21-8-12-23(29)13-9-21/h2,4,6-14,24H,3,5,15-19H2,1H3"	""	""	""
"4923"	"FGF-1"	"Human"	"Peptide"	""	""	""	""	"178101621"	"0"	"P05230"	"ENSG00000113578"	""	""	""	""	""	""	""	"acidic fibroblast growth factor|beta-endothelial cell growth factor|heparin-binding growth factor 1 (HBGF-1)"	""	""	""	""	""	""
"9641"	"FGF-10"	"Human"	"Peptide"	""	""	""	""	"340590271"	"0"	"O15520"	"ENSG00000070193"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10974"	"FGF-18"	"Human"	"Peptide"	""	""	""	""	"405560415"	"0"	"O76093"	"ENSG00000156427"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11545"	"FGF-19"	"Human"	"Peptide"	""	""	""	""	"441604917"	"0"	"O95750"	"ENSG00000162344"	""	""	""	""	""	""	""	"fibroblast growth factor 19"	""	""	""	""	""	""
"4924"	"FGF-2"	"Human"	"Peptide"	""	""	""	""	"178101622"	"0"	"P09038"	"ENSG00000138685"	""	""	""	""	""	""	""	"basic fibroblast growth factor (bFGF)|fibroblast growth factor 2 (FGF-2)|heparin-binding growth factor 2 (HBGF-2)"	""	""	""	""	""	""
"11721"	"FGF-21"	"Human"	"Peptide"	""	""	""	""	"458923756"	"0"	"Q9NSA1"	"ENSG00000105550"	""	""	""	""	""	""	""	"fibroblast growth factor 21"	""	""	""	""	""	""
"9291"	"FGF-23"	"Human"	"Peptide"	""	""	""	""	"318164810"	"0"	"Q9GZV9"	"ENSG00000118972"	""	""	""	""	""	""	""	"fibroblast growth factor 23"	""	""	""	""	""	""
"9629"	"FGF-3"	"Human"	"Peptide"	""	""	""	""	"340590259"	"0"	"P11487"	"ENSG00000186895"	""	""	""	""	""	""	""	"fibroblast growth factor 3|HBGF-3|INT2"	""	""	""	""	""	""
"4925"	"FGF-4"	"Human"	"Peptide"	""	""	""	""	"178101623"	"0"	"P08620"	"ENSG00000075388"	""	""	""	""	""	""	""	"heparin secretory-transforming protein 1 (HST-1)|heparin-binding growth factor 4 (HBGF-4)|transforming protein KS3"	""	""	""	""	""	""
"4926"	"FGF-5"	"Human"	"Peptide"	""	""	""	""	"178101624"	"0"	"P12034"	"ENSG00000138675"	""	""	""	""	""	""	""	"HBGF-5|heparin-binding growth factor 5|Smag-82"	""	""	""	""	""	""
"4927"	"FGF-6"	"Human"	"Peptide"	""	""	""	""	"178101625"	"0"	"P10767"	"ENSG00000111241"	""	""	""	""	""	""	""	"heparin secretory-transforming protein 2 (HST-2)|heparin-binding growth factor 6 (HBGF-6)|HSTF-2"	""	""	""	""	""	""
"4928"	"FGF-7"	"Human"	"Peptide"	""	""	""	""	"178101626"	"0"	"P21781"	"ENSG00000140285"	""	""	""	""	""	""	""	"HBGF-7|heparin-binding growth factor 7"	""	""	""	""	""	""
"4929"	"FGF-8"	"Human"	"Peptide"	""	""	""	""	"178101627"	"0"	"P55075"	"ENSG00000107831"	""	""	""	""	""	""	""	"androgen-induced growth factor (AIGF)|heparin-binding growth factor 8 (HBGF-8)"	""	""	""	""	""	""
"4930"	"FGF-9"	"Human"	"Peptide"	""	""	""	""	"178101628"	"0"	"P31371"	"ENSG00000102678"	""	""	""	""	""	""	""	"glia-activating factor (GAF)|heparin-binding growth factor 9 (HBGF-9)"	""	""	""	""	""	""
"1690"	"[F/G]N/OFQ-(1-13)-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"135652154"	"0"	""	""	""	""	""	""	""	""	""	"[F/G]N/OFQ(1-13)NH<sub>2</sub>|[F/G]nociceptin(1-13)NH<sub>2</sub>|[F/G]nociceptin/orphanin FQ(1-13)NH<sub>2</sub>|[F/G]orphanin FQ(1-13)NH<sub>2</sub>"	""	""	""	""	""	""
"11967"	"FHD-286"	""	"Synthetic organic"	""	""	""	""	"464244108"	"156818030"	""	""	""	""	""	""	""	"N-[(2S)-1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-2-yl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-methylsulfonylpyrrole-3-carboxamide"	""	"FHD286"	"COC[C@H](NC(=O)c1cn(cc1)S(=O)(=O)C)C(=O)Nc1nc(cs1)c1cccc(n1)N1C[C@H](C)O[C@H](C)C1"	"JBLQNFBXKOAIHG-FCEWJHQRSA-N"	"InChI=1S/C24H30N6O6S2/c1-15-10-29(11-16(2)36-15)21-7-5-6-18(25-21)20-14-37-24(27-20)28-23(32)19(13-35-3)26-22(31)17-8-9-30(12-17)38(4,33)34/h5-9,12,14-16,19H,10-11,13H2,1-4H3,(H,26,31)(H,27,28,32)/t15-,16+,19-/m0/s1"	""	""	""
"12759"	"FHD-609"	""	"Synthetic organic"	""	""	""	""	"483123307"	"156817975"	""	""	""	""	""	""	""	"(3S)-3-[5-[7-[[1-[[4-[6-(azetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione"	""	"Compound S-D1 [WO2021155225A1]|FHD609"	"[H][C@@]1(CCC(=O)NC1=O)N2CC3=C(C=C(C=C3)N4CC5(C4)CCN(CC6CCN(CC7=C(OC)C=C(C=C7OC)C8=CN(C)C(=O)C9=C8C=C(N=C9)N%10CCC%10)CC6)CC5)C2=O"	"OBNRBCUHEAAFPS-KDXMTYKHSA-N"	"InChI=1S/C47H56N8O6/c1-50-26-37(35-22-42(53-13-4-14-53)48-23-36(35)45(50)58)32-19-40(60-2)38(41(20-32)61-3)27-51-15-9-30(10-16-51)24-52-17-11-47(12-18-52)28-54(29-47)33-6-5-31-25-55(46(59)34(31)21-33)39-7-8-43(56)49-44(39)57/h5-6,19-23,26,30,39H,4,7-18,24-25,27-29H2,1-3H3,(H,49,56,57)/t39-/m0/s1"	""	""	""
"12859"	"FHQC"	""	"Synthetic organic"	""	""	""	""	"485205980"	"11646235"	""	""	"CHEMBL4448591"	""	""	""	""	"4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide"	""	"compound 1 [PMID: 24870406]"	"CC1=C(C(C2=CC=CO2)C3=C(CCCC3=O)N1)C(=O)NC4=C(C)C=CC=C4"	"HIWQJAGWEWRIIP-UHFFFAOYSA-N"	"InChI=1S/C22H22N2O3/c1-13-7-3-4-8-15(13)24-22(26)19-14(2)23-16-9-5-10-17(25)20(16)21(19)18-11-6-12-27-18/h3-4,6-8,11-12,21,23H,5,9-10H2,1-2H3,(H,24,26)"	""	""	""
"14532"	"fianlimab"	""	"Antibody"	""	""	""	""	"528429853"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"8925"	"fibatuzumab"	""	"Antibody"	""	""	""	""	"310264706"	"0"	""	""	""	""	""	""	""	""	"fibatuzumab"	"KB-004|KB004"	""	""	""	""	""	""
"6749"	"fibrinogen"	"Human"	"Peptide"	""	""	""	""	"178103360"	"0"	"P02675|P02679|P02671"	"ENSG00000171560|ENSG00000171557|ENSG00000171564"	""	"6750|6751|6752"	"fibrinogen alpha chain|fibrinogen beta chain|fibrinogen gamma chain"	"P02671|P02675|P02679"	"ENSG00000171560|ENSG00000171564|ENSG00000171557"	""	""	"coagulation factor I"	""	""	""	""	""	""
"6750"	"fibrinogen alpha chain"	"Human"	"Peptide"	""	""	""	""	"178103361"	"0"	"P02671"	"ENSG00000171560"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6751"	"fibrinogen beta chain"	"Human"	"Peptide"	""	""	""	""	"178103362"	"0"	"P02675"	"ENSG00000171564"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6752"	"fibrinogen gamma chain"	"Human"	"Peptide"	""	""	""	""	"178103363"	"0"	"P02679"	"ENSG00000171557"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6754"	"fibronectin"	"Human"	"Peptide"	""	""	""	""	"178103365"	"0"	"P02751"	"ENSG00000115414"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10965"	"ficellomycin"	""	"Natural product"	""	""	""	""	"405560406"	"151592"	""	""	""	""	""	""	""	"2-[(2-amino-3-methylbutanoyl)amino]-2-[4-(diaminomethylideneamino)-1-azabicyclo[3.1.0]hexan-2-yl]acetic acid"	""	"U-47,929|U-47929|U47929"	"OC(=O)C(C1CC(C2N1C2)N=C(N)N)NC(=O)C(C(C)C)N"	"DGIHWRUPUISVIZ-UHFFFAOYSA-N"	"InChI=1S/C13H24N6O3/c1-5(2)9(14)11(20)18-10(12(21)22)7-3-6(17-13(15)16)8-4-19(7)8/h5-10H,3-4,14H2,1-2H3,(H,18,20)(H,21,22)(H4,15,16,17)"	""	""	"yes"
"12378"	"ficonalkib"	""	"Synthetic organic"	""	""	""	""	"479821169"	"135211735"	""	""	""	""	""	""	""	"2-N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine"	"ficonalkib"	"Example 1 [WO2018127184A1]"	"CC(C)S(=O)(=O)c1ccccc1Nc1nc(nc2c1CCN2)Nc1c(cc(cc1)N1CCC(CC1)N(C)C)OC"	"LDTJJGGYLQQRSP-UHFFFAOYSA-N"	"InChI=1S/C29H39N7O3S/c1-19(2)40(37,38)26-9-7-6-8-24(26)31-28-22-12-15-30-27(22)33-29(34-28)32-23-11-10-21(18-25(23)39-5)36-16-13-20(14-17-36)35(3)4/h6-11,18-20H,12-17H2,1-5H3,(H3,30,31,32,33,34)"	""	""	""
"10909"	"fidaxomicin"	""	"Natural product"	"yes"	""	""	""	"405560350"	"10034073"	""	""	"CHEMBL1255800"	""	""	""	""	""	"fidaxomicin"	"Dificid&reg;|Dificlir&reg;|lipiarmycin A3|OPT-80|PAR-101|tiacumicin B"	"CO[C@@H]1[C@H](OC/C/2=C\C=C\C[C@H](O)/C(=C/[C@H](CC)[C@H](/C(=C/C(=C/C[C@H](OC2=O)[C@H](O)C)/C)/C)O[C@@H]2OC(C)(C)[C@H]([C@@H]([C@@H]2O)O)OC(=O)C(C)C)/C)O[C@@H]([C@H]([C@@H]1O)OC(=O)c1c(O)c(Cl)c(c(c1CC)Cl)O)C"	"ZVGNESXIJDCBKN-UUEYKCAUSA-N"	"InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34+,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1"	""	""	"yes"
"11875"	"fidrisertib"	""	"Synthetic organic"	""	""	""	""	"461663431"	"132026427"	""	""	""	""	""	""	""	"[(3R)-oxolan-3-yl] 4-[6-[5-(4-ethoxy-1-propan-2-ylpiperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate"	"fidrisertib"	"ALK2-IN-1|BLU-782|BLU782|IPN-60130|IPN60130"	"C(C)OC1(CCN(CC1)C(C)C)c1ccc(nc1)c1cc2n(nccc2N2CCN(CC2)C(=O)O[C@H]2COCC2)c1"	"SWVYYNLRVIYURK-AREMUKBSSA-N"	"InChI=1S/C31H42N6O4/c1-4-40-31(9-12-34(13-10-31)23(2)3)25-5-6-27(32-20-25)24-19-29-28(7-11-33-37(29)21-24)35-14-16-36(17-15-35)30(38)41-26-8-18-39-22-26/h5-7,11,19-21,23,26H,4,8-10,12-18,22H2,1-3H3/t26-/m1/s1"	""	""	""
"13329"	"filapixant"	""	"Synthetic organic"	""	""	""	""	"496703299"	"121397607"	""	""	""	""	""	""	""	"3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide"	"filapixant"	"BAY 1902607|BAY-1902607|BAY1902607|example 348 [WO2016091776A1]"	"CC1=CN=C(S1)C2=CC(=CC(=C2)OC[C@H]3CN(CCO3)C)C(=O)N[C@H](C)C4=CN=C(N=C4)C(F)(F)F"	"MROBUJILSMBILX-FOIQADDNSA-N"	"InChI=1S/C24H26F3N5O3S/c1-14-9-28-22(36-14)17-6-16(7-19(8-17)35-13-20-12-32(3)4-5-34-20)21(33)31-15(2)18-10-29-23(30-11-18)24(25,26)27/h6-11,15,20H,4-5,12-13H2,1-3H3,(H,31,33)/t15-,20-/m1/s1"	""	""	""
"7913"	"filgotinib"	""	"Synthetic organic"	"yes"	""	""	""	"249565596"	"49831257"	""	""	"CHEMBL3301607"	""	""	""	""	"N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide"	"filgotinib"	"GLPG-0634|GLPG0634|Jyseleca&reg;"	"O=C(C1CC1)Nc1nc2n(n1)c(ccc2)c1ccc(cc1)CN1CCS(=O)(=O)CC1"	"RIJLVEAXPNLDTC-UHFFFAOYSA-N"	"InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)"	"yes"	""	""
"6968"	"filgrastim"	""	"Peptide"	"yes"	""	""	""	"178103548"	"0"	""	""	"CHEMBL1201567"	""	""	""	""	""	"filgrastim"	"Filcad&reg;|Imumax &reg;|R-METHUG-CSF"	""	""	""	"yes"	""	""
"4460"	"filorexant"	""	"Synthetic organic"	""	""	""	""	"135650616"	"25128145"	""	""	"CHEMBL2107822"	""	""	""	""	"[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone"	"filorexant"	"MK 6096|MK-6096|MK6096"	"Cc1ccc(c(c1)C(=O)N1C[C@@H](CC[C@H]1C)COc1ccc(cn1)F)c1ncccn1"	"NPFDWHQSDBWQLH-QZTJIDSGSA-N"	"InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1"	""	""	""
"8952"	"fimepinostat"	""	"Synthetic organic"	""	""	""	""	"310264733"	"54575456"	""	""	""	""	""	""	""	"N-hydroxy-2-[[2-(6-methoxypyridin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxamide"	"fimepinostat"	"CUDC 907|CUDC-907|PI3K/HDAC Inhibitor centn"	"ONC(=O)c1cnc(nc1)N(Cc1cc2c(s1)c(nc(n2)c1ccc(nc1)OC)N1CCOCC1)C"	"JOWXJLIFIIOYMS-UHFFFAOYSA-N"	"InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32)"	"yes"	""	""
"14620"	"fimosudil"	""	"Synthetic organic"	""	""	""	""	"530846868"	"137387245"	""	""	"CHEMBL5798095"	""	""	""	""	"(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone"	"fimosudil"	"TDI01|TDI01470"	"CN1C(=CC2=C1C=C(C=C2)C3=NC=CC(=N3)NC4=CC=C(C=C4)C5=CNN=C5)C(=O)N6CC(C6)(F)F"	"GWMOTZHLJFWMIZ-UHFFFAOYSA-N"	"InChI=1S/C26H21F2N7O/c1-34-21-11-18(3-2-17(21)10-22(34)25(36)35-14-26(27,28)15-35)24-29-9-8-23(33-24)32-20-6-4-16(5-7-20)19-12-30-31-13-19/h2-13H,14-15H2,1H3,(H,30,31)(H,29,32,33)"	""	""	""
"14355"	"fimsosertib"	""	"Synthetic organic"	""	""	""	""	"523352147"	"155905549"	""	""	"CHEMBL5174716"	""	""	""	""	"4-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol"	"fimsosertib"	"compound 4 [PMID: 36621137]|PRJ1-3024|ZYF0033"	"CC(C)(C#CC1=CC=CC(=C1)COC2=C(N=CC(=C2)C3=CN=C(S3)C4CCN(CC4)C)N)O"	"BJNWUKRWOQERPQ-UHFFFAOYSA-N"	"InChI=1S/C26H30N4O2S/c1-26(2,31)10-7-18-5-4-6-19(13-18)17-32-22-14-21(15-28-24(22)27)23-16-29-25(33-23)20-8-11-30(3)12-9-20/h4-6,13-16,20,31H,8-9,11-12,17H2,1-3H3,(H2,27,28)"	"yes"	""	""
"10809"	"finafloxacin"	""	"Synthetic organic"	"yes"	""	""	""	"405560250"	"11567473"	""	""	"CHEMBL1908370"	""	""	""	""	"7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid"	"finafloxacin"	"AL-60371|AL60371|Xtoro&reg;"	"N#Cc1c(N2C[C@H]3[C@H](C2)NCCO3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1"	"FYMHQCNFKNMJAV-HOTGVXAUSA-N"	"InChI=1S/C20H19FN4O4/c21-14-5-11-17(25(10-1-2-10)7-13(19(11)26)20(27)28)12(6-22)18(14)24-8-15-16(9-24)29-4-3-23-15/h5,7,10,15-16,23H,1-4,8-9H2,(H,27,28)/t15-,16-/m0/s1"	""	""	"yes"
"6818"	"finasteride"	""	"Synthetic organic"	"yes"	""	""	""	"178103424"	"57363"	""	""	"CHEMBL710"	""	""	""	""	"(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide"	"finasteride"	"MK 906|MK-906|MK906|Propecia&reg;|Proscar&reg;"	"O=C1C=C[C@]2([C@H](N1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)NC(C)(C)C)C)C"	"DBEPLOCGEIEOCV-WSBQPABSSA-N"	"InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1"	""	""	""
"14612"	"finbosertib"	""	"Synthetic organic"	""	""	""	""	"530846860"	"163204640"	""	""	""	""	""	""	""	"2-piperazin-1-ylethyl 3-fluoro-5-[[2-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]acetyl]amino]benzoate"	"finbosertib"	"compouind 19 [WO2022069509]"	"CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)CC(=O)NC5=CC(=CC(=C5)C(=O)OCCN6CCNCC6)F"	"IULPVLPJSYRUDQ-UHFFFAOYSA-N"	"InChI=1S/C33H32FN7O3/c1-22-5-4-8-30(37-22)32-28(26-9-10-36-29-7-3-2-6-27(26)29)20-41(39-32)21-31(42)38-25-18-23(17-24(34)19-25)33(43)44-16-15-40-13-11-35-12-14-40/h2-10,17-20,35H,11-16,21H2,1H3,(H,38,42)"	""	""	""
"8678"	"finerenone"	""	"Synthetic organic"	"yes"	""	""	""	"252166878"	"60150535"	""	""	""	""	""	""	""	"(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide"	"finerenone"	"BAY 94-8862|Kerendia&reg;"	"CCOc1ncc(c2c1[C@@H](C(=C(N2)C)C(=O)N)c1ccc(cc1OC)C#N)C"	"BTBHLEZXCOBLCY-QGZVFWFLSA-N"	"InChI=1S/C21H22N4O3/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21/h6-8,10,17,25H,5H2,1-4H3,(H2,23,26)/t17-/m1/s1"	""	""	""
"2407"	"fingolimod"	""	"Synthetic organic"	"yes"	""	""	""	"135650261"	"107970"	""	""	"CHEMBL314854"	""	""	""	""	"2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol"	"fingolimod"	"FTY-720|FTY720|Gilenya&reg;"	"CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N"	"KKGQTZUTZRNORY-UHFFFAOYSA-N"	"InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3"	"yes"	""	""
"2924"	"fingolimod-phosphate"	""	"Synthetic organic"	""	""	""	""	"135650290"	"9908268"	""	""	"CHEMBL114606"	""	""	""	""	"[2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate"	""	"fingolimod phosphate|FTY-P|FTY720-P|FTY720-phosphate"	"CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N"	"LRFKWQGGENFBFO-UHFFFAOYSA-N"	"InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)"	""	""	""
"14401"	"finotonlimab"	""	"Antibody"	"yes"	""	""	""	"523352193"	"0"	""	""	""	""	""	""	""	""	"finotonlimab"	"SCT-I10A|Yasuhei&reg;"	""	""	""	"yes"	""	""
"8781"	"FIPI"	""	"Synthetic organic"	""	""	""	""	"252827439"	"16739265"	""	""	"CHEMBL398567"	""	""	""	""	"5-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide"	""	"compound 14 [PMID: 19136975]"	"Fc1ccc2c(c1)cc([nH]2)C(=O)NCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2"	"LHABRXRGDLASIH-UHFFFAOYSA-N"	"InChI=1S/C23H24FN5O2/c24-16-5-6-18-15(13-16)14-20(26-18)22(30)25-9-12-28-10-7-17(8-11-28)29-21-4-2-1-3-19(21)27-23(29)31/h1-6,13-14,17,26H,7-12H2,(H,25,30)(H,27,31)"	"yes"	""	""
"12360"	"fipravirimat"	""	"Synthetic organic"	""	""	""	""	"479821151"	"118435805"	""	""	""	""	""	""	""	"(1R)-4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]-1-(fluoromethyl)cyclohex-3-ene-1-carboxylic acid"	"fipravirimat"	"compound 9 [PMID: 36044257]|GSK'254|GSK-3640254|GSK3640254"	"CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC=C(C1(C)C)C1=CC[C@@](CC1)(CF)C(=O)O)C)C)NCCN1CCS(=O)(=O)CC1"	"YFSNREBZTKMFEB-DHGHKPCRSA-N"	"InChI=1S/C43H67FN2O4S/c1-29(2)31-12-19-43(45-22-23-46-24-26-51(49,50)27-25-46)21-20-40(6)33(36(31)43)8-9-35-39(5)15-13-32(38(3,4)34(39)14-16-41(35,40)7)30-10-17-42(28-44,18-11-30)37(47)48/h10,13,31,33-36,45H,1,8-9,11-12,14-28H2,2-7H3,(H,47,48)/t31-,33+,34-,35+,36+,39-,40+,41+,42+,43-/m0/s1"	""	""	""
"11486"	"firategrast"	""	"Synthetic organic"	""	""	""	""	"440816854"	"9935681"	""	""	"CHEMBL2104967"	""	""	""	""	""	"firategrast"	"SB-683699|SB683699"	"CCOCc1cc(OC)c(c(c1)OC)c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c1c(F)cccc1F"	"YLFZHHDVRSYTKT-NRFANRHFSA-N"	"InChI=1S/C27H27F2NO6/c1-4-36-15-17-13-22(34-2)24(23(14-17)35-3)18-10-8-16(9-11-18)12-21(27(32)33)30-26(31)25-19(28)6-5-7-20(25)29/h5-11,13-14,21H,4,12,15H2,1-3H3,(H,30,31)(H,32,33)/t21-/m0/s1"	"yes"	""	""
"12603"	"firazorexton"	""	"Synthetic organic"	""	""	""	""	"479821393"	"137460733"	""	""	""	""	""	""	""	"N-[(2S,3S)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide"	"firazorexton"	"TAK-994 (firazorexton sesquihydrate)"	"CC(C)(C(=O)N1CC[C@@H]([C@@H]1CC2=C(C(=CC=C2)C3=CC(=CC(=C3)F)F)F)NS(=O)(=O)C)O"	"VOSAWOSMGPKQEQ-OALUTQOASA-N"	"InChI=1S/C22H25F3N2O4S/c1-22(2,29)21(28)27-8-7-18(26-32(3,30)31)19(27)11-13-5-4-6-17(20(13)25)14-9-15(23)12-16(24)10-14/h4-6,9-10,12,18-19,26,29H,7-8,11H2,1-3H3/t18-,19-/m0/s1"	""	""	""
"10477"	"firmonertinib"	""	"Synthetic organic"	"yes"	""	""	""	"385612236"	"118861389"	""	""	"CHEMBL4297258"	""	""	""	""	"N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]prop-2-enamide"	""	"alflutinib (pseudo INN)|ASK120067|AST-2818|AST2818|example 3 [US10072002B2]|furmonertinib|Ivesa&reg;"	"C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(nc1N(CCN(C)C)C)OCC(F)(F)F"	"GHKOONMJXNWOIW-UHFFFAOYSA-N"	"InChI=1S/C28H31F3N8O2/c1-6-24(40)33-21-15-22(26(41-17-28(29,30)31)36-25(21)38(4)14-13-37(2)3)35-27-32-12-11-20(34-27)19-16-39(5)23-10-8-7-9-18(19)23/h6-12,15-16H,1,13-14,17H2,2-5H3,(H,33,40)(H,32,34,35)"	""	""	""
"14399"	"firsekibart"	""	"Antibody"	"yes"	""	""	""	"523352191"	"0"	""	""	""	""	""	""	""	""	"firsekibart"	"Jin Beixin&reg; (China)"	""	""	""	""	""	""
"10645"	"firsocostat"	""	"Synthetic organic"	""	""	""	""	"404859092"	"71528744"	""	""	""	""	""	""	""	""	"firsocostat"	"GS-0976|GS-ACC|ND 630|ND-630|NDI-010976"	"COc1ccccc1[C@H](Cn1c(=O)n(c(=O)c2c1sc(c2C)c1ncco1)C(C(=O)O)(C)C)OC1CCOCC1"	"ZZWWXIBKLBMSCS-FQEVSTJZSA-N"	"InChI=1S/C28H31N3O8S/c1-16-21-24(32)31(28(2,3)26(33)34)27(35)30(25(21)40-22(16)23-29-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H,33,34)/t20-/m0/s1"	""	""	""
"11792"	"firzacorvir"	""	"Synthetic organic"	""	""	""	""	"458923827"	"135317244"	""	""	""	""	""	""	""	"(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide"	""	""	"Cn1cc(nc1)c1cnc(s1)[C@H]1C[C@H](N(S(=O)(=O)N1)C)C(=O)Nc1cc(c(cc1)F)Cl"	"XVKTYEAUJPZPDZ-HIFRSBDPSA-N"	"InChI=1S/C18H18ClFN6O3S2/c1-25-8-14(22-9-25)16-7-21-18(30-16)13-6-15(26(2)31(28,29)24-13)17(27)23-10-3-4-12(20)11(19)5-10/h3-5,7-9,13,15,24H,6H2,1-2H3,(H,23,27)/t13-,15+/m1/s1"	""	""	""
"5182"	"fisetin"	""	"Natural product"	""	""	""	""	"178101872"	"5281614"	""	""	"CHEMBL31574"	""	""	""	""	"2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one"	""	""	"Oc1ccc2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O"	"XHEFDIBZLJXQHF-UHFFFAOYSA-N"	"InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H"	""	""	""
"10220"	"fisogatinib"	""	"Synthetic organic"	""	""	""	""	"381744902"	"91885617"	""	""	""	""	""	""	""	"N-((3S,4S)-3-((6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl)amino)tetrahydro-2H-pyran-4-yl)acrylamide"	"fisogatinib"	"BLU-554|BLU554|CS-3008|CS3008"	"C=CC(=O)N[C@H]1CCOC[C@H]1Nc1ncc2c(n1)ccc(c2)c1c(Cl)c(OC)cc(c1Cl)OC"	"MGZKYOAQVGSSGC-DLBZAZTESA-N"	"InChI=1S/C24H24Cl2N4O4/c1-4-20(31)28-16-7-8-34-12-17(16)30-24-27-11-14-9-13(5-6-15(14)29-24)21-22(25)18(32-2)10-19(33-3)23(21)26/h4-6,9-11,16-17H,1,7-8,12H2,2-3H3,(H,28,31)(H,27,29,30)/t16-,17+/m0/s1"	""	""	""
"8767"	"FITM"	""	"Synthetic organic"	""	""	""	""	"252827425"	"16660135"	""	""	"CHEMBL566581"	""	""	""	""	"4-fluoro-N-methyl-N-[4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide"	""	"compound 5"	"CC(Nc1ncnc(c1)c1csc(n1)N(C(=O)c1ccc(cc1)F)C)C"	"WIVGIKIKQHUFOD-UHFFFAOYSA-N"	"InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)"	""	""	""
"13630"	"fitusiran"	""	"Nucleic acid"	"yes"	""	""	""	"504705449"	"0"	""	""	"CHEMBL4297754"	""	""	""	""	""	"fitusiran"	"ALN-57213|ALN-AT3|ALN-AT3SC|Qfitlia&reg;"	""	""	""	""	""	""
"2103"	"FK 224"	""	"Peptide"	""	""	""	""	"135652683"	"6437864"	""	""	""	""	""	""	""	"N-[(18Z)-6-(2-amino-2-oxoethyl)-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-12-(phenylmethyl)-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-(2-pentylphenyl)propanamide"	""	"FK-224|FK224"	"CCCCCc1ccccc1CCC(=O)NC1C(C)OC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)/C(=C/c2ccc(cc2)O)/N(C1=O)C)CC(C)C)Cc1ccccc1)C(O)C"	"BEWCDVTWUFJSSM-MBMPTNJISA-N"	"InChI=1S/C54H72N8O13/c1-7-8-10-17-36-18-13-14-19-37(36)22-25-45(67)60-47-33(5)75-54(74)42(30-63)59-49(69)41(29-44(55)66)58-52(72)46(32(4)64)61-50(70)40(27-34-15-11-9-12-16-34)56-48(68)39(26-31(2)3)57-51(71)43(62(6)53(47)73)28-35-20-23-38(65)24-21-35/h9,11-16,18-21,23-24,28,31-33,39-42,46-47,63-65H,7-8,10,17,22,25-27,29-30H2,1-6H3,(H2,55,66)(H,56,68)(H,57,71)(H,58,72)(H,59,69)(H,60,67)(H,61,70)/b43-28-"	""	""	""
"5606"	"FK-453"	""	"Synthetic organic"	""	""	""	""	"178102240"	"6439091"	""	""	"CHEMBL440115"	""	""	""	""	"(E)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one"	""	"FK 453|FK453"	"OCC[C@H]1CCCCN1C(=O)/C=C/c1c(nn2c1cccc2)c1ccccc1"	"OPLOPFHUHFGKMJ-JXOMPUQVSA-N"	"InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1"	""	""	""
"5855"	"FK-788"	""	"Synthetic organic"	""	""	""	""	"178102479"	"9911469"	""	""	"CHEMBL196779"	""	""	""	""	"2-[[(6R)-6-[di(phenyl)carbamoyloxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid"	""	"FK 788|FK788"	"OC(=O)COc1cccc2c1CC[C@](C2)(O)COC(=O)N(c1ccccc1)c1ccccc1"	"UZJAIYJXBYWENR-AREMUKBSSA-N"	"InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1"	""	""	""
"10241"	"FK-881"	""	"Synthetic organic"	""	""	""	""	"381744923"	"9922739"	""	""	"CHEMBL3427203"	""	""	""	""	"3-methoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole"	""	"ASP-6537|ASP6537|FK881"	"COc1ccc(cc1)n1nc(nc1c1ccc(cc1)OC)OC"	"OBAICMYWONZOSZ-UHFFFAOYSA-N"	"InChI=1S/C17H17N3O3/c1-21-14-8-4-12(5-9-14)16-18-17(23-3)19-20(16)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3"	""	""	""
"2114"	"FK-888"	""	"Synthetic organic"	""	""	""	""	"135650263"	"107967"	""	""	"CHEMBL1416993"	""	""	""	""	"(2S,4R)-4-hydroxy-1-(1-methylindole-3-carbonyl)-N-[(2S)-1-(methyl-(phenylmethyl)amino)-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide"	""	"FK 888|FK888|L-alaninamide"	"O[C@@H]1C[C@H](N(C1)C(=O)c1cn(c2c1cccc2)C)C(=O)N[C@H](C(=O)N(Cc1ccccc1)C)Cc1ccc2c(c1)cccc2"	"BFNKQTIJVFGCKQ-PDJGWCFMSA-N"	"InChI=1S/C36H36N4O4/c1-38-23-30(29-14-8-9-15-32(29)38)35(43)40-22-28(41)20-33(40)34(42)37-31(36(44)39(2)21-24-10-4-3-5-11-24)19-25-16-17-26-12-6-7-13-27(26)18-25/h3-18,23,28,31,33,41H,19-22H2,1-2H3,(H,37,42)/t28-,31+,33+/m1/s1"	""	""	""
"3501"	"FL104"	""	"Synthetic organic"	""	""	""	""	"178100488"	"11663047"	""	""	"CHEMBL204989"	""	""	""	""	"N-[1-(4-chlorophenyl)-3-dimethylaminopropyl]-4-phenylbenzamide"	""	""	"CN(CCC(c1ccc(cc1)Cl)NC(=O)c1ccc(cc1)c1ccccc1)C"	"JXJCJZNVWYQHIF-UHFFFAOYSA-N"	"InChI=1S/C24H25ClN2O/c1-27(2)17-16-23(20-12-14-22(25)15-13-20)26-24(28)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15,23H,16-17H2,1-2H3,(H,26,28)"	""	""	""
"4931"	"flagellin"	""	"Natural product"	""	""	""	""	"178101629"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"408"	"flavanone"	""	"Synthetic organic"	""	""	""	""	"135650264"	"10251"	""	""	"CHEMBL274318"	""	""	""	""	"2-Phenylchroman-4-one"	""	"2,3-dihydroflavone|4-flavanone|flavonoid|NSC-50393"	"O=C1CC(Oc2c1cccc2)c1ccccc1"	"ZONYXWQDUYMKFB-UHFFFAOYSA-N"	"InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2"	""	""	""
"5184"	"flavin adenine dinucleotide"	""	"Metabolite"	""	""	""	""	"53801068"	"643975"	""	""	"CHEMBL1232653"	""	""	""	""	"[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy})phosphinic acid"	""	"FAD"	"O=c1[nH]c(=O)c2c(n1)n(C[C@@H]([C@@H]([C@@H](COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc3c1ncnc3N)O)O)O)O)O)c1c(n2)cc(c(c1)C)C"	"VWWQXMAJTJZDQX-UYBVJOGSSA-N"	"InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1"	""	""	""
"5185"	"flavin mononucleotide"	""	"Metabolite"	""	""	""	""	"53801067"	"643976"	""	""	"CHEMBL1201794"	""	""	""	""	"{[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}phosphonic acid"	""	"FMN|riboflavin 5'-monophosphate|riboflavin 5'-phosphate"	"O=c1[nH]c(=O)c2c(n1)n(C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)c1c(n2)cc(c(c1)C)C"	"FVTCRASFADXXNN-SCRDCRAPSA-N"	"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1"	""	""	""
"409"	"flavone"	""	"Natural product"	""	""	""	""	"135650265"	"10680"	""	""	"CHEMBL275638"	""	""	""	""	"2-phenylchromen-4-one"	""	""	"O=c1cc(oc2c1cccc2)c1ccccc1"	"VHBFFQKBGNRLFZ-UHFFFAOYSA-N"	"InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H"	""	""	""
"7187"	"flavoxate"	""	"Synthetic organic"	"yes"	""	""	""	"178103762"	"3354"	""	""	"CHEMBL1493"	""	""	""	""	"2-(piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate"	"flavoxate"	"Urispas&reg;|W-61"	"O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1"	"SPIUTQOUKAMGCX-UHFFFAOYSA-N"	"InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3"	""	""	""
"2560"	"flecainide"	""	"Synthetic organic"	"yes"	""	""	""	"135650266"	"3356"	""	""	"CHEMBL652"	""	""	""	""	"N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide"	"flecainide"	"Tambocor&reg;"	"O=C(c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)NCC1CCCCN1"	"DJBNUMBKLMJRSA-UHFFFAOYSA-N"	"InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)"	""	""	""
"12476"	"fleroxacin"	""	"Synthetic organic"	"yes"	"yes"	""	""	"479821266"	"3357"	""	""	"CHEMBL6273"	""	""	""	""	"6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid"	"fleroxacin"	"AM-833|Megalone&reg;|Quinodis&reg;|Ro 23-6240"	"CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F"	"XBJBPGROQZJDOJ-UHFFFAOYSA-N"	"InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)"	""	""	"yes"
"1"	"flesinoxan"	""	"Synthetic organic"	""	""	""	""	"135650267"	"57347"	""	""	"CHEMBL1742477"	""	""	""	""	"4-fluoro-N-[2-[4-[(3S)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperazin-1-yl]ethyl]benzamide"	"flesinoxan"	"(+)-flesinoxan|DU-29,373"	"OC[C@H]1COc2c(O1)cccc2N1CCN(CC1)CCNC(=O)c1ccc(cc1)F"	"NYSDRDDQELAVKP-SFHVURJKSA-N"	"InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10-12-26(13-11-25)19-2-1-3-20-21(19)29-15-18(14-27)30-20/h1-7,18,27H,8-15H2,(H,24,28)/t18-/m0/s1"	""	""	""
"13233"	"flezurafenib"	""	"Synthetic organic"	""	""	""	""	"491300015"	"162772363"	""	""	""	""	""	""	""	"5-[[(3S)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one"	"flezurafenib"	"compound A-1 [WO2022023450]"	"FC1=CC=C(C=C1)C=2N=C(NC2)[C@H]3COC4=C(C3)C=C(C=C4)OC5=C6CCC(NC6=NC=C5)=O"	"TWJSMWXWCWQPRO-QGZVFWFLSA-N"	"InChI=1S/C26H21FN4O3/c27-18-3-1-15(2-4-18)21-13-29-25(30-21)17-11-16-12-19(5-7-22(16)33-14-17)34-23-9-10-28-26-20(23)6-8-24(32)31-26/h1-5,7,9-10,12-13,17H,6,8,11,14H2,(H,29,30)(H,28,31,32)/t17-/m1/s1"	""	""	""
"8182"	"flibanserin"	""	"Synthetic organic"	"yes"	""	""	""	"249565862"	"6918248"	""	""	"CHEMBL231068"	""	""	""	""	"3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one"	"flibanserin"	"Addyi&reg;|BIMT-17|Girosa&reg; (proposed trade name)"	"O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2"	"PPRRDFIXUUSXRA-UHFFFAOYSA-N"	"InChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28)"	""	""	""
"5186"	"FLICE-like inhibitory protein"	"Human"	"Peptide"	""	""	""	""	"178101874"	"0"	""	"ENSG00000003402"	""	"5187|5188"	"FLICE-like inhibitory protein subunit p12|FLICE-like inhibitory protein subunit p43"	"O15519|O15519"	"ENSG00000003402|ENSG00000003402"	""	""	"CASP8 and FADD-like apoptosis regulator|FLIP"	""	""	""	""	""	""
"5187"	"FLICE-like inhibitory protein subunit p12"	"Human"	"Peptide"	""	""	""	""	"178101875"	"0"	"O15519"	"ENSG00000003402"	""	""	""	""	""	""	""	"CASP8 and FADD-like apoptosis regulator subunit p12|FLIP subunit p12"	""	""	""	""	""	""
"5188"	"FLICE-like inhibitory protein subunit p43"	"Human"	"Peptide"	""	""	""	""	"178101876"	"0"	"O15519"	"ENSG00000003402"	""	""	""	""	""	""	""	"CASP8 and FADD-like apoptosis regulator subunit p43|FLIP subunit p43"	""	""	""	""	""	""
"2307"	"flindokalner"	""	"Synthetic organic"	""	""	""	""	"135650001"	"214350"	""	""	"CHEMBL266510"	""	""	""	""	"(3S)-3-(5-chloro-2-methoxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one"	"flindokalner"	"BMS 204352|BMS-204352|BMS204352"	"COc1ccc(cc1[C@]1(F)C(=O)Nc2c1ccc(c2)C(F)(F)F)Cl"	"ULYONBAOIMCNEH-HNNXBMFYSA-N"	"InChI=1S/C16H10ClF4NO2/c1-24-13-5-3-9(17)7-11(13)15(18)10-4-2-8(16(19,20)21)6-12(10)22-14(15)23/h2-7H,1H3,(H,22,23)/t15-/m0/s1"	""	""	""
"11983"	"flixebrutinib"	""	"Synthetic organic"	""	""	""	""	"464244124"	"86721856"	""	""	""	""	""	""	""	"1-[4-[[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]methyl]-4-fluoropiperidin-1-yl]prop-2-en-1-one"	"flixebrutinib"	"Example A225 [WO2012170976A2]|TL-895|TL895"	"C=CC(=O)N1CCC(CC1)(CNc1ncnc(c1c1ccc(cc1)Oc1ccccc1)N)F"	"OXOXFDSEGFLWLU-UHFFFAOYSA-N"	"InChI=1S/C25H26FN5O2/c1-2-21(32)31-14-12-25(26,13-15-31)16-28-24-22(23(27)29-17-30-24)18-8-10-20(11-9-18)33-19-6-4-3-5-7-19/h2-11,17H,1,12-16H2,(H3,27,28,29,30)"	""	""	""
"12379"	"flizasertib"	""	"Synthetic organic"	""	""	""	""	"479821170"	"137408242"	""	""	"CHEMBL5314462"	""	""	""	""	"cyclopropyl-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone"	"flizasertib"	"compound 19 [PMID: 41165210]|Example 103 [WO2019072942A1]|GDC-8264|GDC8264|RG-6287|RG6287|RO7288817"	"C1CC1C(=O)c1nn2[C@@H](C[C@@H](c2n1)F)c1ccccc1"	"LMXPZWQVDDSYHH-RYUDHWBXSA-N"	"InChI=1S/C15H14FN3O/c16-11-8-12(9-4-2-1-3-5-9)19-15(11)17-14(18-19)13(20)10-6-7-10/h1-5,10-12H,6-8H2/t11-,12-/m0/s1"	""	""	""
"12251"	"flomoxef"	""	"Synthetic organic"	""	""	""	""	"473153839"	"65864"	""	""	"CHEMBL15413"	""	""	""	""	"(6R,7R)-7-{2-[(difluoromethyl)sulfanyl]acetamido}-3-({[1-(2-hydroxyethyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"flomoxef"	"6315-S|Flumarin&reg;"	"CO[C@@]1([C@@H]2N(C1=O)C(=C(CO2)CSc1nnnn1CCO)C(=O)O)NC(=O)CSC(F)F"	"UHRBTBZOWWGKMK-DOMZBBRYSA-N"	"InChI=1S/C15H18F2N6O7S2/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27)/t12-,15+/m1/s1"	""	""	"yes"
"7769"	"florbetaben"	""	"Synthetic organic"	"yes"	""	"yes"	"yes"	"223366102"	"11501341"	""	""	""	""	""	""	""	"4-[(E)-2-[4-[2-[2-(2-fluoranylethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline"	"florbetaben (18F)"	"[<sup>18</sup>F]BAY 94-9172|AV-1|BAY 94-9172|Neuraceq&reg;"	"[18F]CCOCCOCCOc1ccc(cc1)/C=C/c1ccc(cc1)NC"	"NCWZOASIUQVOFA-FWZJPQCDSA-N"	"InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+/i22-1"	""	""	""
"7344"	"florbetapir"	""	"Synthetic organic"	"yes"	""	"yes"	"yes"	"178103916"	"24822371"	""	""	"CHEMBL1774461"	""	""	""	""	"4-[(E)-2-[6-(2-{2-[2-(<sup>18</sup>F)fluoroethoxy]ethoxy}ethoxy)pyridin-3-yl]ethenyl]-N-methylaniline"	"florbetapir (18F)"	"AMYViD&reg;|AV-45|florbetapir (18F)"	"[18F]CCOCCOCCOc1ccc(cn1)/C=C/c1ccc(cc1)NC"	"YNDIAUKFXKEXSV-CRYLGTRXSA-N"	"InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+/i21-1"	""	""	""
"12923"	"florfenicol"	""	"Synthetic organic"	""	""	""	""	"485206044"	"114811"	""	""	"CHEMBL1241590"	""	""	""	""	"2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide"	"florfenicol"	"SCH 25298"	"CS(=O)(=O)C1=CC=C(C=C1)[C@H]([C@@H](CF)NC(=O)C(Cl)Cl)O"	"AYIRNRDRBQJXIF-NXEZZACHSA-N"	"InChI=1S/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)/t9-,10-/m1/s1"	""	""	"yes"
"9100"	"flortaucipir (18F)"	""	"Synthetic organic"	"yes"	""	"yes"	"yes"	"315661185"	"70957463"	""	""	"CHEMBL3545253"	""	""	""	""	"7-(6-fluoranylpyridin-3-yl)-5H-pyrido[4,3-b]indole"	"flortaucipir (18F)"	"18F-AV-1451|[F-18]T807|flortaucipir F-18|LY-3191748|Tauvid&reg;"	"[18F]c1ccc(cn1)c1ccc2c(c1)[nH]c1c2cncc1"	"GETAAWDSFUCLBS-SJPDSGJFSA-N"	"InChI=1S/C16H10FN3/c17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9,20H/i17-1"	""	""	""
"4801"	"floxuridine"	""	"Synthetic organic"	"yes"	""	""	""	"178101503"	"5790"	""	""	"CHEMBL917"	""	""	""	""	"5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione"	"floxuridine"	"5-fluoro-2'-deoxyuridine|floxidine|FUDR&reg;"	"OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O"	"ODKNJVUHOIMIIZ-RRKCRQDMSA-N"	"InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1"	""	""	""
"5761"	"FLPLAR"	""	"Peptide"	""	""	""	""	"178102386"	"49799093"	""	""	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O"	"HQAUWHJHJSFZOL-LSXSSXCESA-N"	"InChI=1S/C35H57N9O7/c1-20(2)17-26(31(47)40-22(5)29(45)41-25(34(50)51)13-9-15-39-35(37)38)42-32(48)28-14-10-16-44(28)33(49)27(18-21(3)4)43-30(46)24(36)19-23-11-7-6-8-12-23/h6-8,11-12,20-22,24-28H,9-10,13-19,36H2,1-5H3,(H,40,47)(H,41,45)(H,42,48)(H,43,46)(H,50,51)(H4,37,38,39)/t22-,24-,25-,26-,27-,28-/m0/s1"	""	""	""
"5900"	"FLRT3"	"Rat"	"Peptide"	""	""	""	""	"178102523"	"0"	"B1H234"	"ENSRNOG00000004874"	""	""	""	""	""	""	""	"fibronectin-like domain-containing leucine-rich transmembrane protein 3|leucine-rich repeat transmembrane protein FLRT3"	""	""	""	""	""	""
"5970"	"Flt-3 inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102593"	"1048845"	""	""	"CHEMBL210833"	""	""	""	""	"2-[(3,4-dimethoxybenzene)amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide"	""	"TCS 359|TCS-359"	"COc1cc(ccc1OC)C(=O)Nc1sc2c(c1C(=O)N)CCCC2"	"FSPQCTGGIANIJZ-UHFFFAOYSA-N"	"InChI=1S/C18H20N2O4S/c1-23-12-8-7-10(9-13(12)24-2)17(22)20-18-15(16(19)21)11-5-3-4-6-14(11)25-18/h7-9H,3-6H2,1-2H3,(H2,19,21)(H,20,22)"	""	""	""
"5971"	"Flt-3 inhibitor II"	""	"Synthetic organic"	""	""	""	""	"178102594"	"11601743"	""	""	"CHEMBL377193"	""	""	""	""	"2-[(5-hydroxy-1H-indol-2-yl)carbonyl]-1H-indol-5-ol"	""	""	"Oc1ccc2c(c1)cc([nH]2)C(=O)c1cc2c([nH]1)ccc(c2)O"	"NIMIWWQLOGNYHD-UHFFFAOYSA-N"	"InChI=1S/C17H12N2O3/c20-11-1-3-13-9(5-11)7-15(18-13)17(22)16-8-10-6-12(21)2-4-14(10)19-16/h1-8,18-21H"	""	""	""
"5972"	"Flt-3 inhibitor III"	""	"Synthetic organic"	""	""	""	""	"178102595"	"11772958"	""	""	"CHEMBL2218935"	""	""	""	""	"5-phenyl-N-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,3-thiazol-2-amine"	""	"IN1479"	"c1ccc(cc1)c1cnc(s1)Nc1ccc(cc1)OCCN1CCCC1"	"FNZTULJDGIXMJJ-UHFFFAOYSA-N"	"InChI=1S/C21H23N3OS/c1-2-6-17(7-3-1)20-16-22-21(26-20)23-18-8-10-19(11-9-18)25-15-14-24-12-4-5-13-24/h1-3,6-11,16H,4-5,12-15H2,(H,22,23)"	""	""	""
"5777"	"FLTChaAR"	""	"Peptide"	""	""	""	""	"178102402"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"760"	"Flu-CCL3"	""	"Peptide"	""	""	"yes"	""	"135652155"	"0"	""	""	""	""	""	""	""	""	""	"Flu-LD78&#945;|Flu-MIP-1&alpha;|fluorescent macrophage inflammatory protein-1&alpha;"	""	""	""	""	""	""
"10910"	"flucloxacillin"	""	"Synthetic organic"	"yes"	""	""	""	"405560351"	"21319"	""	""	"CHEMBL222645"	""	""	""	""	"(2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"flucloxacillin"	"BRL-2039|BRL2039|floxacillin"	"O=C1[C@@H](NC(=O)c2c(C)onc2c2c(F)cccc2Cl)[C@@H]2N1[C@@H](C(=O)O)C(S2)(C)C"	"UIOFUWFRIANQPC-JKIFEVAISA-N"	"InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1"	""	""	"yes"
"10810"	"fludalanine"	""	"Synthetic organic"	""	""	""	""	"405560251"	"146933"	""	""	"CHEMBL2107426"	""	""	""	""	"(2S)-2-amino-2-deuterio-3-fluoropropanoic acid"	"fludalanine"	"3-fluoro-D-alanine|MK-0642|MK0642"	"[C@]([2H])(C(=O)O)(CF)N"	"UYTSRQMXRROFPU-LIIDHCAMSA-N"	"InChI=1S/C3H6FNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1/i2D"	""	""	"yes"
"4802"	"fludarabine"	""	"Synthetic organic"	"yes"	""	""	""	"178101504"	"657237"	""	""	"CHEMBL1568"	""	""	""	""	"(2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol"	"fludarabine"	"2-F-Ara-A|CCRIS 3382|F-Ara-A|Fludara&reg;"	"OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1nc(F)nc2N"	"HBUBKKRHXORPQB-FJFJXFQQSA-N"	"InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1"	""	""	""
"2873"	"fludrocortisone"	""	"Synthetic organic"	"yes"	""	""	""	"135650268"	"31378"	""	""	"CHEMBL1201388"	""	""	""	""	"(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one"	"fludrocortisone"	"9&alpha;-Flourocortisol|Florinef&reg;"	"OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)CC[C@]12C)F"	"AAXVEMMRQDVLJB-BULBTXNYSA-N"	"InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1"	""	""	""
"7606"	"fludroxycortide"	""	"Synthetic organic"	"yes"	""	""	""	"223365941"	"15209"	""	""	"CHEMBL1201012"	""	""	""	""	""	"fludroxycortide"	"Cordran&reg;|flurandrenolide|flurandrenolone|Haelan&reg;"	"OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1C[C@@H](C1=CC(=O)CC[C@]21C)F)(C)C"	"POPFMWWJOGLOIF-XWCQMRHXSA-N"	"InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1"	"yes"	""	""
"4191"	"flufenamate"	""	"Synthetic organic"	""	""	""	""	"178101008"	"3637398"	""	""	""	""	""	""	""	"2-{[3-(trifluoromethyl)phenyl]amino}benzoate"	""	""	"[O-]C(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F"	"LPEPZBJOKDYZAD-UHFFFAOYSA-M"	"InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)/p-1"	""	""	""
"2447"	"flufenamic acid"	""	"Synthetic organic"	"yes"	""	""	""	"135650269"	"3371"	""	""	"CHEMBL23588"	""	""	""	""	"2-[[3-(Trifluoromethyl)phenyl]amino]benzoic acid"	"flufenamic acid"	""	"OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F"	"LPEPZBJOKDYZAD-UHFFFAOYSA-N"	"InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)"	"yes"	""	""
"4192"	"flumazenil"	""	"Synthetic organic"	"yes"	""	""	""	"178101009"	"3373"	""	""	"CHEMBL407"	""	""	""	""	"ethyl 12-fluoro-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylate"	"flumazenil"	"Anexate&reg;|Ro15-1788"	"CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)F"	"OFBIFZUFASYYRE-UHFFFAOYSA-N"	"InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3"	""	""	""
"9913"	"flumbatinib"	""	"Synthetic organic"	"yes"	""	""	""	"363894207"	"46848036"	""	""	"CHEMBL3545413"	""	""	""	""	"4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridin-3-yl]-3-(trifluoromethyl)benzamide"	"flumbatinib"	"flumatinib (pseudo INN)|Hansoh Xinfu&reg;|HH-GV678|HHGV-678"	"CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1cnc(c(c1)Nc1nccc(n1)c1cccnc1)C"	"BJCJYEYYYGBROF-UHFFFAOYSA-N"	"InChI=1S/C29H29F3N8O/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-40/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38)"	""	""	""
"13650"	"flumequine"	""	"Synthetic organic"	"yes"	""	""	""	"507750284"	"3374"	""	""	"CHEMBL370252"	""	""	""	""	"7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.0<sup>5,13</sup>]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid"	"flumequine"	"R-802"	"CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O"	"DPSPPJIUMHPXMA-UHFFFAOYSA-N"	"InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)"	""	""	"yes"
"7075"	"flumethasone pivalate"	""	"Synthetic organic"	"yes"	""	""	""	"178103654"	"443980"	""	""	"CHEMBL1200877"	""	""	""	""	"[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate"	"flumetasone"	"Locorten&reg;"	"O=C1C=C[C@]2(C(=C1)[C@@H](F)C[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)C(C)(C)C)C)C)C"	"JWRMHDSINXPDHB-OJAGFMMFSA-N"	"InChI=1S/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,24+,25+,26+,27+/m1/s1"	"yes"	""	""
"12488"	"flunarizine"	""	"Synthetic organic"	"yes"	""	""	""	"479821278"	"941361"	""	""	"CHEMBL30008"	""	""	""	""	"1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine"	"flunarizine"	"R-14950|R14950|Sibelium&reg;"	"C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F"	"SMANXXCATUTDDT-QPJJXVBHSA-N"	"InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+"	""	""	""
"7076"	"flunisolide"	""	"Synthetic organic"	"yes"	""	""	""	"178103655"	"82153"	""	""	"CHEMBL1512"	""	""	""	""	""	"flunisolide"	"AeroBid&reg;|RS-3999"	"OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1C[C@@H](C1=CC(=O)C=C[C@]21C)F)(C)C"	"XSFJVAJPIHIPKU-XWCQMRHXSA-N"	"InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1"	"yes"	""	""
"4193"	"flunitrazepam"	""	"Synthetic organic"	"yes"	""	""	""	"178101010"	"3380"	""	""	"CHEMBL13280"	""	""	""	""	"5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H-1,4-benzodiazepin-2-one"	"flunitrazepam"	"Narcozep&reg;|Rohypnol&reg;"	"CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F"	"PPTYJKAXVCCBDU-UHFFFAOYSA-N"	"InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3"	""	""	""
"7077"	"fluocinolone acetonide"	""	"Synthetic organic"	"yes"	""	""	""	"178103656"	"6215"	""	""	"CHEMBL989"	""	""	""	""	""	"fluocinolone acetonide"	"Capex&reg;|Iluvien&reg;|Synalar&reg;"	"OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1C[C@@H](C1=CC(=O)C=C[C@]21C)F)F)(C)C"	"FEBLZLNTKCEFIT-VSXGLTOVSA-N"	"InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1"	"yes"	""	""
"7078"	"fluocinonide"	""	"Synthetic organic"	"yes"	""	""	""	"178103657"	"9642"	""	""	"CHEMBL1501"	""	""	""	""	""	"fluocinonide"	"Fluonex&reg;|Lidex&reg;"	"CC(=O)OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1C[C@@H](C1=CC(=O)C=C[C@]21C)F)F)(C)C"	"WJOHZNCJWYWUJD-IUGZLZTKSA-N"	"InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1"	"yes"	""	""
"9987"	"fluorescent MIF ligand B"	""	"Synthetic organic"	""	""	"yes"	""	"374883874"	"134611891"	""	""	""	""	""	""	""	"N-{5-[({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-yl}carbamothioyl)amino]pentyl}-4-({2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]quinolin-5-yl}oxy)butanamide"	""	""	"O=C(CCCOc1cccc2c1ccc(n2)c1nnn(c1)c1ccc(c(c1)F)O)NCCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O"	"BMCSDEYJDALUKV-UHFFFAOYSA-N"	"InChI=1S/C47H40FN7O8S/c48-36-23-28(10-18-40(36)58)55-26-39(53-54-55)38-17-13-31-37(52-38)6-4-7-41(31)61-21-5-8-44(59)49-19-2-1-3-20-50-46(64)51-27-9-14-33-32(22-27)45(60)63-47(33)34-15-11-29(56)24-42(34)62-43-25-30(57)12-16-35(43)47/h4,6-7,9-18,22-26,56-58H,1-3,5,8,19-21H2,(H,49,59)(H2,50,51,64)"	"yes"	""	""
"8904"	"fluorobexarotene"	""	"Synthetic organic"	""	""	""	""	"310264685"	"25195496"	""	""	""	""	""	""	""	"2-fluoro-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid"	""	""	"Cc1cc2c(cc1C(=C)c1ccc(c(c1)F)C(=O)O)C(C)(C)CCC2(C)C"	"LWKAWHRSPCHMPJ-UHFFFAOYSA-N"	"InChI=1S/C24H27FO2/c1-14-11-19-20(24(5,6)10-9-23(19,3)4)13-18(14)15(2)16-7-8-17(22(26)27)21(25)12-16/h7-8,11-13H,2,9-10H2,1,3-6H3,(H,26,27)"	""	""	""
"7079"	"fluorometholone"	""	"Synthetic organic"	"yes"	""	""	""	"178103658"	"9878"	""	""	"CHEMBL1200600"	""	""	""	""	"(6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"	"fluorometholone"	"Flarex&reg;|FML&reg;"	"O=C1C=C[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C"	"FAOZLTXFLGPHNG-KNAQIMQKSA-N"	"InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1"	"yes"	""	""
"13810"	"fluorothiazinon"	""	"Synthetic organic"	""	""	""	""	"507750443"	"132512026"	""	""	""	""	""	""	""	"N-(2,4-difluorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methyl]-5-oxo-1,3,4-thiadiazine-2-carboxamide"	""	"CL-55|fluorothiazinone|Ftortiazinon"	"CCOC1=C(C=CC(=C1)CN2C(=O)CSC(=N2)C(=O)NC3=C(C=C(C=C3)F)F)O"	"DAKWAZGLXWXDBB-UHFFFAOYSA-N"	"InChI=1S/C19H17F2N3O4S/c1-2-28-16-7-11(3-6-15(16)25)9-24-17(26)10-29-19(23-24)18(27)22-14-5-4-12(20)8-13(14)21/h3-8,25H,2,9-10H2,1H3,(H,22,27)"	""	""	"yes"
"203"	"fluoxetine"	""	"Synthetic organic"	"yes"	""	""	""	"135650270"	"3386"	""	""	"CHEMBL41"	""	""	""	""	"N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine"	"fluoxetine"	"Prozac&reg;"	"CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F"	"RTHCYVBBDHJXIQ-UHFFFAOYSA-N"	"InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3"	""	""	""
"2861"	"fluoxymesterone"	""	"Synthetic organic"	"yes"	""	""	""	"135650271"	"6446"	""	""	"CHEMBL1445"	""	""	""	""	"(8S,9R,10S,11S,13S,14S,17S)-9-fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one"	"fluoxymesterone"	"Halotestin&reg;"	"O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1CC[C@]2(C)O)C)C"	"YLRFCQOZQXIBAB-RBZZARIASA-N"	"InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1"	""	""	""
"41"	"fluparoxan"	""	"Synthetic organic"	""	""	""	""	"135650272"	"72036"	""	""	"CHEMBL1765294"	""	""	""	""	"(3aS,9aS)-8-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole"	"fluparoxan"	"GR-50,360"	"Fc1cccc2c1O[C@H]1CNC[C@@H]1O2"	"XSOUHEXVEOQRKJ-IUCAKERBSA-N"	"InChI=1S/C10H10FNO2/c11-6-2-1-3-7-10(6)14-9-5-12-4-8(9)13-7/h1-3,8-9,12H,4-5H2/t8-,9-/m0/s1"	""	""	""
"948"	"flupentixol"	""	"Synthetic organic"	"yes"	""	""	""	"135650273"	"5281881"	""	""	"CHEMBL54661"	""	""	""	""	"2-[4-[(3Z)-3-[2-(Trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol"	"flupentixol"	"<i>cis</i> flupenthixol|alpha-flupenthixol|flupenthixol"	"OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F"	"NJMYODHXAKYRHW-DVZOWYKESA-N"	"InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-"	""	""	""
"279"	"fluperlapine"	""	"Synthetic organic"	""	""	""	""	"135650274"	"49381"	""	""	"CHEMBL63756"	""	""	""	""	"3-fluoro-6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine"	"fluperlapine"	"C10967"	"CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2c1cccc2"	"OBWGMKKHCLHVIE-UHFFFAOYSA-N"	"InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3"	""	""	""
"204"	"fluphenazine"	""	"Synthetic organic"	"yes"	""	""	""	"135650275"	"3372"	""	""	"CHEMBL726"	""	""	""	""	"2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol"	"fluphenazine"	"Prolixin&reg;"	"OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F"	"PLDUPXSUYLZYBN-UHFFFAOYSA-N"	"InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2"	""	""	""
"2598"	"flupirtine"	""	"Synthetic organic"	""	""	""	""	"135650276"	"53276"	""	""	"CHEMBL255044"	""	""	""	""	"ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate"	"flupirtine"	""	"CCOC(=O)Nc1ccc(nc1N)NCc1ccc(cc1)F"	"JUUFBMODXQKSTD-UHFFFAOYSA-N"	"InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)"	""	""	""
"1940"	"fluprostenol"	""	"Synthetic organic"	""	""	""	""	"135650277"	"5311100"	""	""	"CHEMBL1201379"	""	""	""	""	"(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid"	"fluprostenol"	"ICI 81008"	"OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O"	"WWSWYXNVCBLWNZ-QIZQQNKQSA-N"	"InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1"	""	""	""
"7188"	"flurazepam"	""	"Synthetic organic"	"yes"	""	""	""	"178103763"	"3393"	""	""	"CHEMBL968"	""	""	""	""	"7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one"	"flurazepam"	"Dalmane&reg;|Ro-5-6901|Ro-56901"	"CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC"	"SAADBVWGJQAEFS-UHFFFAOYSA-N"	"InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3"	""	""	""
"4194"	"flurbiprofen"	""	"Synthetic organic"	"yes"	""	""	""	"178101011"	"3394"	""	""	"CHEMBL563"	""	""	""	""	"2-(3-fluoro-4-phenylphenyl)propanoic acid"	"flurbiprofen"	"Ansaid&reg;|Froben&reg;"	"OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C"	"SYTBZMRGLBWNTM-UHFFFAOYSA-N"	"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)"	"yes"	""	""
"12927"	"flurithromycin"	""	"Synthetic organic"	"yes"	""	""	""	"485206048"	"71260"	""	""	"CHEMBL2106403"	""	""	""	""	"(3R,4S,5S,6R,7R,9S,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-9-fluoro-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione"	"flurithromycin"	"(8S)-8-fluoroerythromycin A|P-0501A"	"CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)(C)F)C)O)(C)O"	"XOEUHCONYHZURQ-HNUBZJOYSA-N"	"InChI=1S/C37H66FNO13/c1-14-24-37(10,46)29(42)21(5)28(41)34(7,38)17-35(8,45)31(52-33-26(40)23(39(11)12)15-18(2)48-33)19(3)27(20(4)32(44)50-24)51-25-16-36(9,47-13)30(43)22(6)49-25/h18-27,29-31,33,40,42-43,45-46H,14-17H2,1-13H3/t18-,19+,20-,21+,22+,23+,24-,25+,26-,27+,29-,30+,31-,33+,34+,35-,36-,37-/m1/s1"	""	""	"yes"
"85"	"fluspirilene"	""	"Synthetic organic"	"yes"	""	""	""	"135650278"	"3396"	""	""	"CHEMBL46516"	""	""	""	""	"8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one"	"fluspirilene"	"Imap&reg;|MCN-JR-6218|R-6218|Redeptin&reg;"	"Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1"	"QOYHHIBFXOOADH-UHFFFAOYSA-N"	"InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)"	""	""	""
"6943"	"flutamide"	""	"Synthetic organic"	"yes"	""	""	""	"178103525"	"3397"	""	""	"CHEMBL806"	""	""	""	""	"2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide"	"flutamide"	"Eulexin&reg;|SCH-13521"	"O=C(C(C)C)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]"	"MKXKFYHWDHIYRV-UHFFFAOYSA-N"	"InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)"	""	""	""
"7342"	"flutemetamol"	""	"Synthetic organic"	"yes"	""	"yes"	"yes"	"178103914"	"15950376"	""	""	"CHEMBL2042122"	""	""	""	""	"2-[3-(<sup>18</sup>F)fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol"	"flutemetamol (18F)"	"18F-flutemetamol|[18F]flutemetamol|flutemetamol F18"	"CNc1ccc(cc1[18F])c1nc2c(s1)cc(cc2)O"	"VVECGOCJFKTUAX-HUYCHCPVSA-N"	"InChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3/i15-1"	""	""	""
"6699"	"fluticasone"	""	"Synthetic organic"	"yes"	""	""	""	"178103310"	"5311101"	""	""	"CHEMBL1201396"	""	""	""	""	"S-(fluoromethyl) (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate"	"fluticasone"	"Advair&reg;|Avamys&reg;|Flovent HFA&reg;|Veramyst&reg;"	"FCSC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F"	"MGNNYOODZCAHBA-GQKYHHCASA-N"	"InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1"	"yes"	""	""
"10892"	"fluticasone furoate"	""	"Synthetic organic"	"yes"	""	""	""	"405560333"	"9854489"	""	""	"CHEMBL1676"	""	""	""	""	"[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate"	"fluticasone furoate"	"Arnuity Ellipta|Avamys|FF|Flonase Sensimist|Veramyst"	"FCSC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F"	"XTULMSXFIHGYFS-VLSRWLAYSA-N"	"InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1"	"yes"	""	""
"7080"	"fluticasone propionate"	""	"Synthetic organic"	"yes"	""	""	""	"178103659"	"444036"	""	""	"CHEMBL1473"	""	""	""	""	"[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate"	"fluticasone"	"Advair Diskus&reg;|ArmonAir RespiClick<sup>TM</sup>|CCI-18781|Flovent&reg;"	"FCSC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F"	"WMWTYOKRWGGJOA-CENSZEJFSA-N"	"InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1"	"yes"	""	""
"2951"	"fluvastatin"	""	"Synthetic organic"	"yes"	""	""	""	"135650279"	"446155"	""	""	"CHEMBL1078"	""	""	""	""	"(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid"	"fluvastatin"	"Canef&reg;|Lescol&reg;"	"OC(=O)C[C@@H](C[C@@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O"	"FJLGEFLZQAZZCD-MCBHFWOFSA-N"	"InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1"	""	""	""
"7189"	"fluvoxamine"	""	"Synthetic organic"	"yes"	""	""	""	"178103764"	"5324346"	""	""	"CHEMBL814"	""	""	""	""	"2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine"	"fluvoxamine"	"Luvox&reg;|U-23000"	"NCCO/N=C(/c1ccc(cc1)C(F)(F)F)\CCCCOC"	"CJOFXWAVKWHTFT-XSFVSMFZSA-N"	"InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+"	"yes"	""	""
"13763"	"fluzoparib"	""	"Synthetic organic"	"yes"	""	""	""	"507750396"	"56649297"	""	""	"CHEMBL3930624"	""	""	""	""	"4-[[4-fluoro-3-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one"	""	"SHR-3162|SHR3162"	"C1CN2C(=NC(=N2)C(F)(F)F)CN1C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F"	"XJGXCBHXFWBOTN-UHFFFAOYSA-N"	"InChI=1S/C22H16F4N6O2/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)19(33)29-28-17)9-15(16)20(34)31-7-8-32-18(11-31)27-21(30-32)22(24,25)26/h1-6,9H,7-8,10-11H2,(H,29,33)"	""	""	""
"12153"	"FLX475"	""	"Synthetic organic"	""	""	""	""	"472319275"	"134210715"	""	""	""	""	""	""	""	"2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol"	""	"example 43 [WO2018022992A1]|FLX-475"	"C[C@H](c1c(cc(cc1)Cl)Cl)n1c2nc(cnc2c(n1)C(F)(F)F)N1CC(C1)[C@H]1CCCN(C1)CCO"	"AKSVALRPYDVQBS-CABCVRRESA-N"	"InChI=1S/C24H27Cl2F3N6O/c1-14(18-5-4-17(25)9-19(18)26)35-23-21(22(32-35)24(27,28)29)30-10-20(31-23)34-12-16(13-34)15-3-2-6-33(11-15)7-8-36/h4-5,9-10,14-16,36H,2-3,6-8,11-13H2,1H3/t14-,15+/m1/s1"	"yes"	""	""
"1021"	"fMet-Ile-Phe-Leu"	""	"Peptide"	""	""	""	""	"135652156"	"0"	""	""	""	""	""	""	""	""	""	"fMet-Ile-Phe-Leu [<i>S. aureus</i>]"	""	""	""	""	""	""
"5842"	"fMet-Ile-Val-Ile-Leu"	""	"Peptide"	""	""	""	""	"178102467"	"0"	""	""	""	""	""	""	""	""	""	"fMet-Ile-Val-Ile-Leu [<i>L. monocytogenes</i>]"	""	""	""	""	""	""
"5841"	"fMet-Ile-Val-Thr-Leu-Phe"	""	"Peptide"	""	""	""	""	"178102466"	"0"	""	""	""	""	""	""	""	""	""	"fMet-Ile-Val-Thr-Leu-Phe [<i>L. monocytogenes</i>]"	""	""	""	""	""	""
"1022"	"fMet-Leu-Phe"	""	"Peptide"	""	""	""	""	"135652157"	"443295"	""	""	"CHEMBL267179"	""	""	""	""	"(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid"	""	"fMetLeuPhe|fMLF|fMLP|formyl-Met-Leu-Phe"	"CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CC(C)C)NC=O"	"PRQROPMIIGLWRP-BZSNNMDCSA-N"	"InChI=1S/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(22-13-25)9-10-30-3)20(27)24-18(21(28)29)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1"	""	""	""
"5840"	"fMet-Leu-Phe-Glu"	""	"Peptide"	""	""	""	""	"178102465"	"0"	""	""	""	""	""	""	""	""	""	"fMet-Leu-Phe-Glu [<i>E. coli</i>]"	""	""	""	""	""	""
"14145"	"fMet-Leu-Phe-Ile-Ile"	""	"Peptide"	""	""	""	""	"518520772"	"71811752"	""	""	""	""	""	""	""	""	""	"fMLFII"	""	""	""	""	""	""
"5843"	"fMet-Leu-Phe-Ile-Ile-Lys-FITC"	""	"Peptide"	""	""	"yes"	""	"178102468"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5837"	"fMet-Met-Trp-Leu-Leu"	""	"Peptide"	""	""	""	""	"178102462"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1023"	"fMet-Met-Tyr-Ala-Leu-Phe"	""	"Peptide"	""	""	""	""	"135652158"	"0"	""	""	""	""	""	""	""	""	""	"fMet-Met-Tyr-Ala-Leu-Phe [Mitochondria]"	""	""	""	""	""	""
"5189"	"FMH"	""	"Synthetic organic"	""	""	""	""	"178101877"	"107653"	""	""	""	""	""	""	""	"2-amino-3-fluoro-2-(1H-imidazol-5-ylmethyl)propanoic acid"	""	"&alpha;-fluoromethylhistidine|&alpha;-FMH|alpha-FMH"	"NC(C(=O)O)(CF)Cc1cnc[nH]1"	"AJFGLTPLWPTALJ-UHFFFAOYSA-N"	"InChI=1S/C7H10FN3O2/c8-3-7(9,6(12)13)1-5-2-10-4-11-5/h2,4H,1,3,9H2,(H,10,11)(H,12,13)"	""	""	""
"9358"	"FMK"	""	"Synthetic organic"	""	""	""	""	"328083460"	"644243"	""	""	"CHEMBL515414"	""	""	""	""	""	""	"FMK (covalent)"	"OCCCn1c(C(=O)CF)c(c2c1ncnc2N)c1ccc(cc1)C"	"IKLGYJACVCXYIL-UHFFFAOYSA-N"	"InChI=1S/C18H19FN4O2/c1-11-3-5-12(6-4-11)14-15-17(20)21-10-22-18(15)23(7-2-8-24)16(14)13(25)9-19/h3-6,10,24H,2,7-9H2,1H3,(H2,20,21,22)"	""	""	""
"2705"	"FMOC-L-Leucine"	""	"Synthetic organic"	""	""	""	""	"135650280"	"4308"	""	""	"CHEMBL294989"	""	""	""	""	"2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid"	""	""	"CC(CC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)C"	"CBPJQFCAFFNICX-UHFFFAOYSA-N"	"InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)"	""	""	""
"4195"	"FMRFamide"	""	"Peptide"	""	""	""	""	"178101012"	"0"	""	""	""	""	""	""	""	""	""	"Phe-Met-Arg-Phe-amide"	""	""	""	""	""	""
"1563"	"FMS586"	""	"Synthetic organic"	""	""	""	""	"135650281"	"11589975"	""	""	""	""	""	""	""	"1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea"	""	"FMS 586|FMS-586"	"O=C(N(CCc1ccncc1)C)Nc1ccc2c(c1)c1CCCCc1n2C(C)C"	"YLNOMVNCZMWDST-UHFFFAOYSA-N"	"InChI=1S/C24H30N4O/c1-17(2)28-22-7-5-4-6-20(22)21-16-19(8-9-23(21)28)26-24(29)27(3)15-12-18-10-13-25-14-11-18/h8-11,13-14,16-17H,4-7,12,15H2,1-3H3,(H,26,29)"	""	""	""
"4932"	"Fms-related tyrosine kinase 3 ligand"	"Human"	"Peptide"	""	""	""	""	"178101630"	"0"	"P49771"	"ENSG00000090554"	""	""	""	""	""	""	""	"Flt3 ligand|FLT3L|SL cytokine"	""	""	""	""	""	""
"13544"	"FNDR-20081"	""	"Synthetic organic"	""	""	""	""	"500839954"	"146279269"	""	""	"CHEMBL4473719"	""	""	""	""	"5-(4-propan-2-ylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole"	""	""	"CC(C)C1=CC=C(C=C1)C2=NC(=NO2)CN3CCN(CC3)C4=CC=NC5=C4C=CC(=C5)C6=CN=CC=C6"	"HIQQOKPODUCWTH-UHFFFAOYSA-N"	"InChI=1S/C30H30N6O/c1-21(2)22-5-7-23(8-6-22)30-33-29(34-37-30)20-35-14-16-36(17-15-35)28-11-13-32-27-18-24(9-10-26(27)28)25-4-3-12-31-19-25/h3-13,18-19,21H,14-17,20H2,1-2H3"	""	""	"yes"
"11797"	"FNDR-20123"	""	"Synthetic organic"	""	""	""	""	"458923832"	"50991199"	""	""	"CHEMBL4090165"	""	""	""	""	"N-hydroxy-4-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide"	""	""	"ONC(=O)c1ccc(cc1)Cn1nnc(c1)c1ccc(cc1)CN1CCCC1"	"MTAWGBVDXCFYOF-UHFFFAOYSA-N"	"InChI=1S/C21H23N5O2/c27-21(23-28)19-9-5-17(6-10-19)14-26-15-20(22-24-26)18-7-3-16(4-8-18)13-25-11-1-2-12-25/h3-10,15,28H,1-2,11-14H2,(H,23,27)"	""	"yes"	""
"14629"	"foberigan"	""	"Synthetic organic"	""	""	""	""	"530846877"	"139526658"	""	""	"CHEMBL5807289"	""	""	""	""	"(1R,2S,5S)-8-[benzyl(methyl)carbamoyl]-3-(diphenylcarbamoyl)-3,8-diazabicyclo[3.2.1]octane-2-carboxylic acid"	"foberigan"	"compound C112 [US11453690]|TDI05|TRD205"	"C(N(CC1=CC=CC=C1)C)(=O)N2[C@]3([C@@H](C(O)=O)N(C(N(C4=CC=CC=C4)C5=CC=CC=C5)=O)C[C@@]2(CC3)[H])[H]"	"SAGCINJDOCNPSJ-NXCFDTQHSA-N"	"InChI=1S/C29H30N4O4/c1-30(19-21-11-5-2-6-12-21)28(36)33-24-17-18-25(33)26(27(34)35)31(20-24)29(37)32(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26H,17-20H2,1H3,(H,34,35)/t24-,25+,26-/m0/s1"	"yes"	""	""
"13062"	"fobrepodacin"	""	"Synthetic organic"	""	""	""	""	"491299844"	"68108988"	""	""	"CHEMBL2221212"	""	""	""	""	"2-[5-[2-(ethylcarbamoylamino)-6-fluoro-7-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]pyrimidin-2-yl]propan-2-yl dihydrogen phosphate"	"fobrepodacin"	"pVXc-486|SPR720"	"CCNC(=O)NC1=NC2=C(N1)C=C(C(=C2[C@H]3CCCO3)F)C4=CN=C(N=C4)C(C)(C)OP(=O)(O)O"	"COTQDURISRILOR-CQSZACIVSA-N"	"InChI=1S/C21H26FN6O6P/c1-4-23-20(29)28-19-26-13-8-12(16(22)15(17(13)27-19)14-6-5-7-33-14)11-9-24-18(25-10-11)21(2,3)34-35(30,31)32/h8-10,14H,4-7H2,1-3H3,(H2,30,31,32)(H3,23,26,27,28,29)/t14-/m1/s1"	""	""	"yes"
"4563"	"folic acid"	""	"Metabolite"	""	""	""	""	"178101284"	"6037"	""	""	"CHEMBL1622"	""	""	""	""	"(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid"	"folic acid"	"folate"	"OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N"	"OVBPIULPVIDEAO-LBPRGKRZSA-N"	"InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1"	""	""	""
"9622"	"foliglurax"	""	"Synthetic organic"	""	""	""	""	"340590252"	"137222229"	""	""	""	""	""	""	""	"N-{6-[3-(morpholin-4-yl)propyl]-2-{thieno[3,2-c]pyridin-6-yl}-4H-chromen-4-ylidene}hydroxylamine"	"foliglurax"	"PXT-002331|PXT002331"	"ON=c1cc(oc2c1cc(CCCN1CCOCC1)cc2)c1ncc2c(c1)scc2"	"ZTEDNASHAWNBKQ-UHFFFAOYSA-N"	"InChI=1S/C23H23N3O3S/c27-25-19-13-22(20-14-23-17(15-24-20)5-11-30-23)29-21-4-3-16(12-18(19)21)2-1-6-26-7-9-28-10-8-26/h3-5,11-15,27H,1-2,6-10H2"	""	""	""
"4816"	"folinic acid"	""	"Synthetic organic"	"yes"	""	""	""	"178101518"	"135403648"	""	""	"CHEMBL1679"	""	""	""	""	"(2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid"	""	"5-formyltetrahydrofolic acid|leucovorin|Wellcovorin&reg;"	"O=CN1C(CNc2ccc(cc2)C(=O)N[C@H](C(=O)O)CCC(=O)O)CNc2c1c(=O)nc([nH]2)N"	"VVIAGPKUTFNRDU-ABLWVSNPSA-N"	"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1"	""	""	""
"4933"	"follistatin"	"Human"	"Peptide"	""	""	""	""	"178101631"	"0"	"P19883"	"ENSG00000134363"	""	""	""	""	""	""	""	"activin-binding protein|FS"	""	""	""	""	""	""
"11705"	"fomepizole"	""	"Synthetic organic"	"yes"	""	""	""	"442878731"	"3406"	""	""	"CHEMBL1308"	""	""	""	""	"4-methyl-1H-pyrazole"	"fomepizole"	"4-methylpyrazole|Antizol&reg;"	"Cc1c[nH]nc1"	"RIKMMFOAQPJVMX-UHFFFAOYSA-N"	"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)"	""	""	""
"13533"	"fomivirsen"	""	"Nucleic acid"	"yes"	"yes"	""	""	"500839943"	"71587551"	""	""	"CHEMBL1201688"	""	""	""	""	"2'-deoxy-P-thio-guanylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-2'-deoxy-P-thio-guanylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-2'-deoxy-P-thio-guanylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-2'-deoxy-P-thio-guanylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-2'-deoxy-guanosine"	"fomivirsen"	"ISIS 2922|ISIS-2922|ISIS2922|Vitravene&reg;"	"CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=S)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=S)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=S)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=S)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=S)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=S)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=S)(O)O[C@H]%10C[C@@H](O[C@@H]%10CO)N%11C=NC%12=C%11N=C(NC%12=O)N)N%13C=CC(=NC%13=O)N)N%14C=NC%15=C%14N=C(NC%15=O)N)N%16C=C(C(=O)NC%16=O)C)N%17C=C(C(=O)NC%17=O)C)N%18C=C(C(=O)NC%18=O)C)N%19C=NC%20=C%19N=C(NC%20=O)N)N%21C=CC(=NC%21=O)N)OP(=S)(O)OC[C@@H]%22[C@H](C[C@@H](O%22)N%23C=CC(=NC%23=O)N)OP(=S)(O)OC[C@@H]%24[C@H](C[C@@H](O%24)N%25C=C(C(=O)NC%25=O)C)OP(=S)(O)OC[C@@H]%26[C@H](C[C@@H](O%26)N%27C=C(C(=O)NC%27=O)C)OP(=S)(O)OC[C@@H]%28[C@H](C[C@@H](O%28)N%29C=CC(=NC%29=O)N)OP(=S)(O)OC[C@@H]%30[C@H](C[C@@H](O%30)N%31C=C(C(=O)NC%31=O)C)OP(=S)(O)OC[C@@H]%32[C@H](C[C@@H](O%32)N%33C=C(C(=O)NC%33=O)C)OP(=S)(O)OC[C@@H]%34[C@H](C[C@@H](O%34)N%35C=CC(=NC%35=O)N)OP(=S)(O)OC[C@@H]%36[C@H](C[C@@H](O%36)N%37C=C(C(=O)NC%37=O)C)OP(=S)(O)OC[C@@H]%38[C@H](C[C@@H](O%38)N%39C=C(C(=O)NC%39=O)C)OP(=S)(O)OC[C@@H]%40[C@H](C[C@@H](O%40)N%41C=NC%42=C%41N=C(NC%42=O)N)OP(=S)(O)OC[C@@H]%43[C@H](C[C@@H](O%43)N%44C=CC(=NC%44=O)N)OP(=S)(O)OC[C@@H]%45[C@H](C[C@@H](O%45)N%46C=NC%47=C%46N=C(NC%47=O)N)O"	"YXPFHXCUIFJZDH-JCSPNYBJSA-N"	"InChI=1S/C204H263N63O114P20S20/c1-80-44-253(195(291)237-169(80)270)145-31-98(119(349-145)62-328-387(306,407)367-97-30-144(252-22-16-137(210)226-194(252)290)348-118(97)61-327-400(319,420)380-109-42-157(266-78-219-162-167(266)230-187(214)235-182(162)283)361-131(109)74-340-398(317,418)378-107-40-154(262-53-89(10)178(279)246-204(262)300)357-127(107)70-336-395(314,415)375-104-37-151(259-50-86(7)175(276)243-201(259)297)355-125(104)68-334-396(315,416)376-105-38-152(260-51-87(8)176(277)244-202(260)298)358-128(105)71-337-401(320,421)381-110-43-158(267-79-220-163-168(267)231-188(215)236-183(163)284)359-129(110)72-338-388(307,408)368-93-26-140(248-18-12-133(206)222-190(248)286)343-113(93)56-322-383(302,403)362-91-24-155(341-111(91)54-268)264-76-217-160-165(264)228-185(212)233-180(160)281)369-389(308,409)323-58-115-94(27-141(345-115)249-19-13-134(207)223-191(249)287)364-384(303,404)329-63-120-101(34-148(350-120)256-47-83(4)172(273)240-198(256)294)372-392(311,412)332-66-123-99(32-146(353-123)254-45-81(2)170(271)238-196(254)292)370-390(309,410)324-59-116-95(28-142(346-116)250-20-14-135(208)224-192(250)288)365-385(304,405)330-64-121-102(35-149(351-121)257-48-84(5)173(274)241-199(257)295)373-393(312,413)333-67-124-100(33-147(354-124)255-46-82(3)171(272)239-197(255)293)371-391(310,411)325-60-117-96(29-143(347-117)251-21-15-136(209)225-193(251)289)366-386(305,406)331-65-122-103(36-150(352-122)258-49-85(6)174(275)242-200(258)296)374-394(313,414)335-69-126-106(39-153(356-126)261-52-88(9)177(278)245-203(261)299)377-397(316,417)339-73-130-108(41-156(360-130)265-77-218-161-166(265)229-186(213)234-181(161)282)379-399(318,419)326-57-114-92(25-139(344-114)247-17-11-132(205)221-189(247)285)363-382(301,402)321-55-112-90(269)23-138(342-112)263-75-216-159-164(263)227-184(211)232-179(159)280/h11-22,44-53,75-79,90-131,138-158,268-269H,23-43,54-74H2,1-10H3,(H,301,402)(H,302,403)(H,303,404)(H,304,405)(H,305,406)(H,306,407)(H,307,408)(H,308,409)(H,309,410)(H,310,411)(H,311,412)(H,312,413)(H,313,414)(H,314,415)(H,315,416)(H,316,417)(H,317,418)(H,318,419)(H,319,420)(H,320,421)(H2,205,221,285)(H2,206,222,286)(H2,207,223,287)(H2,208,224,288)(H2,209,225,289)(H2,210,226,290)(H,237,270,291)(H,238,271,292)(H,239,272,293)(H,240,273,294)(H,241,274,295)(H,242,275,296)(H,243,276,297)(H,244,277,298)(H,245,278,299)(H,246,279,300)(H3,211,227,232,280)(H3,212,228,233,281)(H3,213,229,234,282)(H3,214,230,235,283)(H3,215,231,236,284)/t90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,155+,156+,157+,158+,382?,383?,384?,385?,386?,387?,388?,389?,390?,391?,392?,393?,394?,395?,396?,397?,398?,399?,400?,401?/m0/s1"	""	""	""
"6819"	"fondaparinux"	""	"Synthetic organic"	"yes"	""	""	""	"178103425"	"5282448"	""	""	"CHEMBL1201202"	""	""	""	""	"(2R,3S,4S,5R,6R)-3-{[(2R,3R,4R,5R,6R)-5-{[(2R,3R,4R,5S,6S)-6-carboxy-5-{[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-3-(sulfoamino)-4-(sulfooxy)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}-4-hydroxy-6-{[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-5-(sulfooxy)oxane-2-carboxylic acid"	"fondaparinux sodium"	"Arixtra&reg;"	"CO[C@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1NS(=O)(=O)O)O)O[C@@H]1O[C@@H](C(=O)O)[C@H]([C@@H]([C@H]1OS(=O)(=O)O)O)O[C@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1NS(=O)(=O)O)OS(=O)(=O)O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1NS(=O)(=O)O)O)O"	"KANJSNBRCNMZMV-ABRZTLGGSA-N"	"InChI=1S/C31H53N3O49S8/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-/m1/s1"	""	""	""
"9847"	"fontolizumab"	""	"Antibody"	""	""	""	""	"363894141"	"0"	""	""	""	""	""	""	""	""	"fontolizumab"	"HuZAF"	""	""	""	"yes"	""	""
"6896"	"forasartan"	""	"Synthetic organic"	"yes"	""	""	""	"178103478"	"132706"	""	""	"CHEMBL315021"	""	""	""	""	"5-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine"	"forasartan"	"SC-52458"	"CCCCc1nc(nn1Cc1ccc(nc1)c1ccccc1c1n[nH]nn1)CCCC"	"YONOBYIBNBCDSJ-UHFFFAOYSA-N"	"InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-17-13-14-20(24-15-17)18-9-7-8-10-19(18)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)"	""	""	""
"14379"	"forazapadin"	""	"Synthetic organic"	""	""	""	""	"523352171"	"176257790"	""	""	""	""	""	""	""	"[(3S)-1-methyl-5-oxopyrrolidin-3-yl] 4-[3-(2-cyclopropyloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate"	"forazapadin"	"example I-34 [WO2025054448]|SAT-3247"	"CN1C[C@H](CC1=O)OC(=O)N2CCN(CC2)C3=NC4=C(C=NN4C=C3)C5=C(N=CC=C5)OC6CC6"	"UPEYDQUYDAIRSU-KRWDZBQOSA-N"	"InChI=1S/C24H27N7O4/c1-28-15-17(13-21(28)32)35-24(33)30-11-9-29(10-12-30)20-6-8-31-22(27-20)19(14-26-31)18-3-2-7-25-23(18)34-16-4-5-16/h2-3,6-8,14,16-17H,4-5,9-13,15H2,1H3/t17-/m0/s1"	""	""	""
"5679"	"foretinib"	""	"Synthetic organic"	""	""	""	""	"178102306"	"42642645"	""	""	"CHEMBL1230609"	""	""	""	""	"1-N'-[3-fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinolin-4-yl}oxy)phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide"	"foretinib"	"EXEL-2880|GSK 1363089G|GSK1363089|XL 880"	"COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F"	"CXQHYVUVSFXTMY-UHFFFAOYSA-N"	"InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)"	""	""	""
"4196"	"formalin"	""	"Synthetic organic"	""	""	""	""	"178101013"	"712"	""	""	"CHEMBL1255"	""	""	""	""	"formaldehyde"	""	""	"C=O"	"WSFSSNUMVMOOMR-UHFFFAOYSA-N"	"InChI=1S/CH2O/c1-2/h1H2"	""	""	""
"4739"	"formamide"	""	"Synthetic organic"	""	""	""	""	"178101450"	"713"	""	""	"CHEMBL266160"	""	""	""	""	"formamide"	""	""	"NC=O"	"ZHNUHDYFZUAESO-UHFFFAOYSA-N"	"InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)"	""	""	""
"4540"	"formate"	""	"Natural product"	""	""	""	""	"178101261"	"283"	""	""	""	""	""	""	""	"formate"	""	"formic acid|HCOO<sup>-</sup>"	"[O-]C=O"	"BDAGIHXWWSANSR-UHFFFAOYSA-M"	"InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1"	""	""	""
"3465"	"formoterol"	""	"Synthetic organic"	"yes"	""	""	""	"178100459"	"3410"	""	""	"CHEMBL1256786"	""	""	""	""	"N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide"	"formoterol"	"BD-40A|CGP-25827A|Foradil&reg;|Oxeze/Oxis&reg;|YM-08316"	"O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O"	"BPZSYCZIITTYBL-UHFFFAOYSA-N"	"InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)"	"yes"	""	""
"4737"	"formycin B"	""	"Synthetic organic"	""	""	""	""	"178101448"	"135449281"	""	""	""	""	""	""	""	"3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one"	""	""	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)c1n[nH]c2c1[nH]cnc2=O"	"MTCJZZBQNCXKAP-KSYZLYKTSA-N"	"InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1"	""	""	""
"8272"	"forodesine"	""	"Synthetic organic"	""	""	""	""	"252166484"	"135409409"	""	""	"CHEMBL218291"	""	""	""	""	"7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one"	"forodesine"	"BCX-1777|BCX1777|Fodosine&reg; (proposed trade name)|immucillin H|immucillin-H"	"OC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1c[nH]c2c1[nH]cnc2=O"	"IWKXDMQDITUYRK-KUBHLMPHSA-N"	"InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1"	""	"yes"	""
"1856"	"foropafant"	""	"Synthetic organic"	""	""	""	""	"135651077"	"119368"	""	""	"CHEMBL1628662"	""	""	""	""	"N',N'-dimethyl-N-(pyridin-3-ylmethyl)-N-[4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl]ethane-1,2-diamine"	"foropafant"	"SR 27417|SR-27417|SR27417"	"CN(CCN(c1scc(n1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Cc1cccnc1)C"	"VVBFISAUNSXQGZ-UHFFFAOYSA-N"	"InChI=1S/C28H40N4S/c1-19(2)23-14-24(20(3)4)27(25(15-23)21(5)6)26-18-33-28(30-26)32(13-12-31(7)8)17-22-10-9-11-29-16-22/h9-11,14-16,18-21H,12-13,17H2,1-8H3"	""	""	""
"5190"	"forskolin"	""	"Natural product"	""	""	""	""	"178101878"	"47936"	""	""	"CHEMBL52606"	""	""	""	""	"(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho[2,1-b]pyran-5-yl acetate"	"colforsin"	"coleonol"	"C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)O)O"	"OHCQJHSOBUTRHG-KGGHGJDLSA-N"	"InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1"	""	""	""
"13770"	"forsythiaside"	""	"Natural product"	""	""	""	""	"507750403"	"5281773"	""	""	""	""	""	""	""	"[(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate"	""	"Forsythiaside A"	"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC(=C(C=C3)O)O)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O"	"DTOUWTJYUCZJQD-UJERWXFOSA-N"	"InChI=1S/C29H36O15/c1-13-22(35)23(36)25(38)29(42-13)41-12-20-27(44-21(34)7-4-14-2-5-16(30)18(32)10-14)24(37)26(39)28(43-20)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29+/m0/s1"	""	""	""
"10303"	"forsythoside B"	""	"Natural product"	""	""	""	""	"381744984"	"23928102"	""	""	""	""	""	""	""	"[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate"	""	""	"OC[C@@]1(O)CO[C@H]([C@@H]1O)OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O"	"JMBINOWGIHWPJI-UNSOMVRXSA-N"	"InChI=1S/C34H44O19/c1-15-24(41)25(42)26(43)32(50-15)53-29-27(44)31(47-9-8-17-3-6-19(37)21(39)11-17)51-22(12-48-33-30(45)34(46,13-35)14-49-33)28(29)52-23(40)7-4-16-2-5-18(36)20(38)10-16/h2-7,10-11,15,22,24-33,35-39,41-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24-,25+,26+,27+,28+,29+,30-,31+,32-,33+,34+/m0/s1"	"yes"	""	""
"14048"	"forvisirvat"	""	"Synthetic organic"	""	""	""	""	"518520675"	"131964504"	""	""	""	""	""	""	""	"(2S,5'R)-7-chloro-3',4-dimethoxy-5'-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)spiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione"	"forvisirvat"	"Compound 1 [WO2024148149A2]|DS-7830a|SP-624|SP624"	"C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(C=C(C(=C3O2)Cl)C4=NN=C(O4)C)OC)OC"	"MIHSWFYCAJWPIS-YLVJLNSGSA-N"	"InChI=1S/C19H17ClN2O6/c1-8-5-10(23)6-13(26-4)19(8)17(24)14-12(25-3)7-11(15(20)16(14)28-19)18-22-21-9(2)27-18/h6-8H,5H2,1-4H3/t8-,19+/m1/s1"	""	""	""
"14470"	"FORX-428"	""	"Synthetic organic"	""	""	""	""	"528429791"	"168191398"	""	""	""	""	""	""	""	"3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(1-methylcyclopropyl)imidazo[1,5-a]pyridine-6-sulfonamide"	""	"Example 1b [WO2024074497]|FORX428"	"C[C@H]1CN(C[C@@H](N1)C)C2=CC(=CN3C2=CN=C3C4=NN=C(S4)C(F)F)S(=O)(=O)NC5(CC5)C"	"YGEYQBHHQVNSHP-RYUDHWBXSA-N"	"InChI=1S/C20H25F2N7O2S2/c1-11-8-28(9-12(2)24-11)14-6-13(33(30,31)27-20(3)4-5-20)10-29-15(14)7-23-17(29)19-26-25-18(32-19)16(21)22/h6-7,10-12,16,24,27H,4-5,8-9H2,1-3H3/t11-,12-/m0/s1"	""	""	""
"12682"	"fosamprenavir"	""	"Synthetic organic"	"yes"	""	""	""	"483123230"	"131536"	""	""	""	""	""	""	""	"[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate"	"fosamprenavir"	"FOS-APV|GW-433908|GW433908|Lexiva&reg;|VX-175|VX175"	"CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)OP(=O)(O)O)S(=O)(=O)C3=CC=C(C=C3)N"	"MLBVMOWEQCZNCC-OEMFJLHTSA-N"	"InChI=1S/C25H36N3O9PS/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32)/t21-,23-,24+/m0/s1"	""	""	""
"7623"	"fosaprepitant"	""	"Synthetic organic"	"yes"	""	""	""	"223365958"	"135413538"	""	""	"CHEMBL1199324"	""	""	""	""	"[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-2H-1,2,4-triazol-1-yl]phosphonic acid"	"fosaprepitant"	"Ivemend&reg;|MK-0517"	"Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1nc(=O)n([nH]1)P(=O)(O)O)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C"	"BARDROPHSZEBKC-OITMNORJSA-N"	"InChI=1S/C23H22F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38)/t12-,19+,20-/m1/s1"	""	""	""
"8857"	"fosbretabulin"	""	"Synthetic organic"	""	""	""	""	"252827514"	"5351387"	""	""	"CHEMBL1206232"	""	""	""	""	"[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate"	"fosbretabulin"	"CA4DP|combretastatin A4 phosphate|fosbretabulin disodium|fosbretabulin tromethamine|Zybrestat (fosbretabulin disodium)"	"COc1cc(/C=C\c2ccc(c(c2)OP(=O)(O)O)OC)cc(c1OC)OC"	"WDOGQTQEKVLZIJ-WAYWQWQTSA-N"	"InChI=1S/C18H21O8P/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11H,1-4H3,(H2,19,20,21)/b6-5-"	""	""	""
"5497"	"foscarnet"	""	"Synthetic organic"	"yes"	""	""	""	"178102144"	"3415"	""	""	"CHEMBL666"	""	""	""	""	"phosphonoformic acid"	"foscarnet sodium"	"carboxyphosphonic acid|Foscavir&reg;|phosphonocarboxylic acid|phosphonoformic acid"	"OC(=O)P(=O)(O)O"	"ZJAOAACCNHFJAH-UHFFFAOYSA-N"	"InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)"	""	""	""
"9649"	"fosdagrocorat"	""	"Synthetic organic"	""	""	""	""	"340590279"	"24872952"	""	""	"CHEMBL3137316"	""	""	""	""	"[(2R,4aS,10aR)-4a-benzyl-7-[(2-methylpyridin-3-yl)carbamoyl]-2-(trifluoromethyl)-1,3,4,9,10,10a-hexahydrophenanthren-2-yl] dihydrogen phosphate"	"fosdagrocorat"	"PF-04171327"	"O=C(c1ccc2c(c1)CC[C@H]1[C@]2(CC[C@](C1)(OP(=O)(O)O)C(F)(F)F)Cc1ccccc1)Nc1cccnc1C"	"BVXLAHSJXXSWFF-KEKPKEOLSA-N"	"InChI=1S/C29H30F3N2O5P/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(29(30,31)32,39-40(36,37)38)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23H,9,11,13-14,17-18H2,1H3,(H,34,35)(H2,36,37,38)/t23-,27+,28-/m1/s1"	"yes"	""	""
"13366"	"foselutoclax"	""	"Synthetic organic"	""	""	""	""	"496703336"	"147562879"	""	""	""	""	""	""	""	"5-(4-chlorophenyl)-2-methyl-4-[3-[4-[4-[[4-[[(2R)-1-phenylsulfanyl-4-(4-phosphonooxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylamino]phenyl]piperazin-1-yl]phenyl]-1-propan-2-ylpyrrole-3-carboxylic acid"	"foselutoclax"	"UBX-1325|UBX1325"	"CC1=C(C(=C(N1C(C)C)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC(=C(C=C6)N[C@H](CCN7CCC(CC7)OP(=O)(O)O)CSC8=CC=CC=C8)S(=O)(=O)C(F)(F)F)C(=O)O"	"FSZILRQCEAUYPL-VQJSHJPSSA-N"	"InChI=1S/C53H59ClF3N6O10PS3/c1-35(2)63-36(3)49(52(64)65)50(51(63)37-12-14-39(54)15-13-37)38-8-7-9-43(32-38)62-30-28-61(29-31-62)42-18-16-40(17-19-42)59-77(71,72)46-20-21-47(48(33-46)76(69,70)53(55,56)57)58-41(34-75-45-10-5-4-6-11-45)22-25-60-26-23-44(24-27-60)73-74(66,67)68/h4-21,32-33,35,41,44,58-59H,22-31,34H2,1-3H3,(H,64,65)(H2,66,67,68)/t41-/m1/s1"	""	""	""
"10813"	"fosfomycin"	""	"Synthetic organic"	"yes"	""	""	""	"405560254"	"446987"	""	""	"CHEMBL1757"	""	""	""	""	"[(2R,3S)-3-methyloxiran-2-yl]phosphonic acid"	"fosfomycin"	"Monurol&reg;|phosphomycin|phosphonomycin|Veramina&reg;"	"C[C@@H]1O[C@@H]1P(=O)(O)O"	"YMDXZJFXQJVXBF-STHAYSLISA-N"	"InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1"	""	""	"yes"
"10637"	"fosifidancitinib"	""	"Synthetic organic"	""	""	""	""	"404859084"	"58071385"	""	""	""	""	""	""	""	"[5-[[2-(4-fluoro-3-methoxy-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-2-oxo-1,3-benzoxazol-3-yl]methyl dihydrogen phosphate"	"fosifidancitinib"	""	"COc1cc(Nc2ncc(c(n2)Nc2ccc3c(c2)n(COP(=O)(O)O)c(=O)o3)C)cc(c1F)C"	"JTUBTEKGIDQZMZ-UHFFFAOYSA-N"	"InChI=1S/C21H21FN5O7P/c1-11-6-14(8-17(32-3)18(11)22)25-20-23-9-12(2)19(26-20)24-13-4-5-16-15(7-13)27(21(28)34-16)10-33-35(29,30)31/h4-9H,10H2,1-3H3,(H2,29,30,31)(H2,23,24,25,26)"	"yes"	""	""
"12886"	"fosigotifator"	""	"Synthetic organic"	""	""	""	""	"485206007"	"153563259"	""	""	""	""	""	""	""	"[(2S)-1,4-bis[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-bicyclo[2.2.2]octanyl]oxymethyl dihydrogen phosphate"	""	"ABBV-CLS-7262|compound 131 [US20220251123A1]"	"C1CC2(CCC1(C[C@@H]2OCOP(=O)(O)O)NC(=O)COC3=CC(=C(C=C3)Cl)F)NC(=O)COC4=CC(=C(C=C4)Cl)F"	"IURMHIZNAHLQRX-ANYOXOOPSA-N"	"InChI=1S/C25H27Cl2F2N2O9P/c26-17-3-1-15(9-19(17)28)37-12-22(32)30-24-5-7-25(8-6-24,21(11-24)39-14-40-41(34,35)36)31-23(33)13-38-16-2-4-18(27)20(29)10-16/h1-4,9-10,21H,5-8,11-14H2,(H,30,32)(H,31,33)(H2,34,35,36)/t21-,24?,25?/m0/s1"	""	""	""
"6456"	"fosinopril"	""	"Synthetic organic"	"yes"	""	""	""	"178103071"	"9601226"	""	""	"CHEMBL3039598"	""	""	""	""	"(2S,4S)-4-cyclohexyl-1-[2-[[(1S)-2-methyl-1-propanoyloxypropoxy]-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid"	"fosinopril"	"Monopril&reg;|SQ-28555"	"CCC(=O)O[C@H](C(C)C)O[P@@](=O)(CC(=O)N1C[C@@H](C[C@H]1C(=O)O)C1CCCCC1)CCCCc1ccccc1"	"BIDNLKIUORFRQP-XYGFDPSESA-N"	"InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30+,39-/m1/s1"	""	""	""
"6457"	"fosinoprilat"	""	"Synthetic organic"	"yes"	""	""	""	"178103072"	"62956"	""	""	"CHEMBL581"	""	""	""	""	"(2S,4S)-4-cyclohexyl-1-[2-(hydroxy-(4-phenylbutyl)phosphoryl)acetyl]pyrrolidine-2-carboxylic acid"	"fosinoprilat"	"SQ-27519"	"O=C(N1C[C@@H](C[C@H]1C(=O)O)C1CCCCC1)CP(=O)(CCCCc1ccccc1)O"	"WOIWWYDXDVSWAZ-RTWAWAEBSA-N"	"InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1"	""	""	""
"13806"	"fosizensertib"	""	"Synthetic organic"	""	""	""	""	"507750439"	"167466532"	""	""	""	""	""	""	""	"[(2S)-1-[[5-[2-[1-(difluoromethyl)pyrazol-4-yl]ethynyl]pyridine-3-carbonyl]-methylamino]-3-phenylpropan-2-yl] dihydrogen phosphate"	"fosizensertib"	"compound 19 [WO2023018643A1]"	"P(=O)(O[C@H](CN(C(=O)C=1C=NC=C(C1)C#CC=2C=NN(C2)C(F)F)C)CC3=CC=CC=C3)(O)O"	"AJSWMXIMACDPCV-FQEVSTJZSA-N"	"InChI=1S/C22H21F2N4O5P/c1-27(15-20(33-34(30,31)32)10-16-5-3-2-4-6-16)21(29)19-9-17(11-25-13-19)7-8-18-12-26-28(14-18)22(23)24/h2-6,9,11-14,20,22H,10,15H2,1H3,(H2,30,31,32)/t20-/m0/s1"	"yes"	""	""
"13174"	"foslevodopa"	""	"Synthetic organic"	"yes"	""	""	""	"491299956"	"127766"	""	""	"CHEMBL4594379"	""	""	""	""	"(2S)-2-amino-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid"	"foslevodopa"	"Dopa 4-phosphate"	"C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)OP(=O)(O)O"	"YNDMEEULGSTYJT-LURJTMIESA-N"	"InChI=1S/C9H12NO7P/c10-6(9(12)13)3-5-1-2-8(7(11)4-5)17-18(14,15)16/h1-2,4,6,11H,3,10H2,(H,12,13)(H2,14,15,16)/t6-/m0/s1"	""	""	""
"11621"	"foslinanib"	""	"Synthetic organic"	""	""	""	""	"442878655"	"49840582"	""	""	""	""	""	""	""	"[2-(3-fluorophenyl)-6-methoxy-4-oxo-1H-quinolin-5-yl] dihydrogen phosphate"	"foslinanib"	"CVM-1118|TRX 818|TRX-818"	"COc1ccc2c(c1OP(=O)(O)O)c(=O)cc([nH]2)c1cccc(c1)F"	"ZDWFMAHQGDEALT-UHFFFAOYSA-N"	"InChI=1S/C16H13FNO6P/c1-23-14-6-5-11-15(16(14)24-25(20,21)22)13(19)8-12(18-11)9-3-2-4-10(17)7-9/h2-8H,1H3,(H,18,19)(H2,20,21,22)"	""	""	""
"9739"	"fosmidomycin"	""	"Natural product"	""	""	""	""	"374883827"	"572"	""	""	"CHEMBL203125"	""	""	""	""	"3-(formyl-hydroxyamino)propylphosphonic acid"	"fosmidomycin"	"FR-31564"	"O=CN(CCCP(=O)(O)O)O"	"GJXWDTUCERCKIX-UHFFFAOYSA-N"	"InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)"	""	"yes"	"yes"
"7190"	"fosphenytoin"	""	"Synthetic organic"	"yes"	""	""	""	"178103765"	"56339"	""	""	"CHEMBL1201336"	""	""	""	""	"[(2-hydroxy-5-oxo-4,4-diphenyl-4,5-dihydro-1H-imidazol-1-yl)methoxy]phosphonic acid"	"fosphenytoin"	"ACC-9653-010|Cerebyx&reg;|CI-982|Sesquient&reg;"	"O=C1N(COP(=O)(O)O)C(=NC1(c1ccccc1)c1ccccc1)O"	"XWLUWCNOOVRFPX-UHFFFAOYSA-N"	"InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)"	""	""	""
"7475"	"fospropofol"	""	"Synthetic organic"	"yes"	""	""	""	"187051778"	"3038498"	""	""	"CHEMBL1201766"	""	""	""	""	"[2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate"	"fospropofol"	"Lusedra&reg;"	"CC(c1cccc(c1OCOP(=O)(O)O)C(C)C)C"	"QVNNONOFASOXQV-UHFFFAOYSA-N"	"InChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16)"	""	""	""
"14241"	"fosrolapitant"	""	"Synthetic organic"	"yes"	""	""	""	"521588881"	"163871173"	""	""	""	""	""	""	""	"phosphonooxymethyl (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-8-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate"	"fosrolapitant"	"HR-20013|HR20013|Ritanine&reg; (fosrolapitan + palonosetron)"	"C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@]3(CCC(=O)N3)CN2C(=O)OCOP(=O)(O)O)C4=CC=CC=C4"	"PKXQGSOAMISYFP-LJXNEXSDSA-N"	"InChI=1S/C27H29F6N2O8P/c1-17(18-11-20(26(28,29)30)13-21(12-18)27(31,32)33)41-15-25(19-5-3-2-4-6-19)10-9-24(8-7-22(36)34-24)14-35(25)23(37)42-16-43-44(38,39)40/h2-6,11-13,17H,7-10,14-16H2,1H3,(H,34,36)(H2,38,39,40)/t17-,24-,25-/m1/s1"	""	""	""
"7796"	"fostamatinib"	""	"Synthetic organic"	"yes"	""	""	""	"223366127"	"11671467"	""	""	"CHEMBL2103830"	""	""	""	""	"[6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[2,3-e][1,4]oxazin-4-yl]methyl dihydrogen phosphate"	"fostamatinib"	"R 788|R-788|R7935788|Tavalisse&reg;|Tavlesse&reg;"	"COc1cc(Nc2ncc(c(n2)Nc2ccc3c(n2)N(COP(=O)(O)O)C(=O)C(O3)(C)C)F)cc(c1OC)OC"	"GKDRMWXFWHEQQT-UHFFFAOYSA-N"	"InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)"	"yes"	""	""
"11100"	"fostemsavir"	""	"Synthetic organic"	"yes"	""	""	""	"434122161"	"11319217"	""	""	"CHEMBL3301594"	""	""	""	""	"[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate"	"fostemsavir"	"BMS-663068|BMS663068|compound 35 [PMID: 29271653]|FTR|GSK-3684934|GSK3684934|Rukobia&reg;"	"COc1cnc(c2c1c(cn2COP(=O)(O)O)C(=O)C(=O)N1CCN(CC1)C(=O)c1ccccc1)n1cnc(n1)C"	"SWMDAPWAQQTBOG-UHFFFAOYSA-N"	"InChI=1S/C25H26N7O8P/c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40-41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38)"	""	""	""
"13951"	"fotagliptin"	""	"Synthetic organic"	"yes"	""	""	""	"513757636"	"53258570"	""	""	"CHEMBL5408495"	""	""	""	""	"2-[[3-[(3R)-3-aminopiperidin-1-yl]-6-methyl-5-oxo-1,2,4-triazin-4-yl]methyl]-4-fluorobenzonitrile"	""	"compound 66 [PMID: 37647598]|FCN 005|FCN-005|SAL-067|SAL067|Xinliting&reg;"	"CC1=NN=C(N(C1=O)CC2=C(C=CC(=C2)F)C#N)N3CCC[C@H](C3)N"	"IXSWMXRAIPXMRH-OAHLLOKOSA-N"	"InChI=1S/C17H19FN6O/c1-11-16(25)24(9-13-7-14(18)5-4-12(13)8-19)17(22-21-11)23-6-2-3-15(20)10-23/h4-5,7,15H,2-3,6,9-10,20H2,1H3/t15-/m1/s1"	""	""	""
"13207"	"fovinaciclib"	""	"Synthetic organic"	"yes"	""	""	""	"491299989"	"132136461"	""	""	""	""	""	""	""	"7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridin-2-yl]amino]thieno[3,2-d]pyrimidine-6-carboxamide"	"fovinaciclib"	"Example 5 [WO2017193872]|FCN-437|FCN-437c|FCN437|Futuoning&reg; (China)"	"C1(CCCC1)C2=C(SC3=C2N=C(N=C3)NC4=NC=C(C=C4)N5CCC(CC5)N6CCN(CC6)C)C(=O)N(C)C"	"PGGPKYATZSPYKB-UHFFFAOYSA-N"	"InChI=1S/C29H40N8OS/c1-34(2)28(38)27-25(20-6-4-5-7-20)26-23(39-27)19-31-29(33-26)32-24-9-8-22(18-30-24)36-12-10-21(11-13-36)37-16-14-35(3)15-17-37/h8-9,18-21H,4-7,10-17H2,1-3H3,(H,30,31,32,33)"	""	""	""
"1409"	"FP0429"	""	"Synthetic organic"	""	""	""	""	"135650282"	"11565290"	""	""	"CHEMBL212233"	""	""	""	""	"(2S,4S)-4-amino-1-[(2E)-3-carboxyprop-2-enoyl]pyrrolidine-2,4-dicarboxylic acid"	""	"FP 0429|FP-0429"	"OC(=O)/C=C/C(=O)N1C[C@](C[C@H]1C(=O)O)(N)C(=O)O"	"ZALHFQNLXQORTH-FGLATXDZSA-N"	"InChI=1S/C10H12N2O7/c11-10(9(18)19)3-5(8(16)17)12(4-10)6(13)1-2-7(14)15/h1-2,5H,3-4,11H2,(H,14,15)(H,16,17)(H,18,19)/b2-1+/t5-,10-/m0/s1"	""	""	""
"11581"	"FP-1039"	""	"Peptide"	""	""	""	""	"441604953"	"0"	""	""	""	""	""	""	""	""	""	"FGFR1:Fc|FP1039|GSK-3052230|GSK3052230|HGS1036"	""	""	""	""	""	""
"13602"	"FP802"	""	"Synthetic organic"	""	""	""	""	"504705421"	"12861871"	""	""	""	""	""	""	""	"N'-[(3-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine"	""	"FP-802"	"ClC=1C=C(C=CC1)CN(CCN)CC"	"CEGPYWJJEVYOQS-UHFFFAOYSA-N"	"InChI=1S/C11H17ClN2/c1-2-14(7-6-13)9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9,13H2,1H3"	""	""	""
"6247"	"F peptide"	""	"Peptide"	""	""	""	""	"178102867"	"155817493"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O"	"ITFICYZHWXDVMU-IPTZIORSSA-N"	"InChI=1S/C110H173N29O34S2/c1-12-54(6)85(134-95(158)65(29-22-41-118-110(116)117)122-101(164)76(52-174)133-102(165)77-30-23-42-139(77)108(171)74(44-53(4)5)132-106(169)88(57(9)141)138-105(168)87(56(8)14-3)136-107(170)89(58(10)142)137-99(162)73(48-84(151)152)130-100(163)75(51-140)121-81(146)50-120-90(153)62(112)31-37-82(147)148)103(166)126-64(28-20-21-40-111)91(154)123-67(33-36-79(114)144)93(156)128-70(45-59-24-16-15-17-25-59)98(161)135-86(55(7)13-2)104(167)131-72(47-80(115)145)97(160)125-68(39-43-175-11)94(157)129-71(46-60-49-119-63-27-19-18-26-61(60)63)96(159)124-66(32-35-78(113)143)92(155)127-69(109(172)173)34-38-83(149)150/h15-19,24-27,49,53-58,62,64-77,85-89,119,140-142,174H,12-14,20-23,28-48,50-52,111-112H2,1-11H3,(H2,113,143)(H2,114,144)(H2,115,145)(H,120,153)(H,121,146)(H,122,164)(H,123,154)(H,124,159)(H,125,160)(H,126,166)(H,127,155)(H,128,156)(H,129,157)(H,130,163)(H,131,167)(H,132,169)(H,133,165)(H,134,158)(H,135,161)(H,136,170)(H,137,162)(H,138,168)(H,147,148)(H,149,150)(H,151,152)(H,172,173)(H4,116,117,118)/t54-,55-,56-,57+,58+,62-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,85-,86-,87-,88-,89-/m0/s1"	""	""	""
"2518"	"FPL64176"	""	"Synthetic organic"	""	""	""	""	"135650283"	"3423"	""	""	"CHEMBL93655"	""	""	""	""	"methyl 2,5-dimethyl-4-[2-(phenylmethyl)benzoyl]-1H-pyrrole-3-carboxylate"	""	"FPL 64176|FPL-64176"	"COC(=O)c1c(C)[nH]c(c1C(=O)c1ccccc1Cc1ccccc1)C"	"MDMWHKZANMNXTF-UHFFFAOYSA-N"	"InChI=1S/C22H21NO3/c1-14-19(20(15(2)23-14)22(25)26-3)21(24)18-12-8-7-11-17(18)13-16-9-5-4-6-10-16/h4-12,23H,13H2,1-3H3"	""	""	""
"14308"	"FP-Rh"	""	"Synthetic organic"	""	""	"yes"	""	"523352100"	"139035304"	""	""	""	""	""	""	""	""	""	"probe 1 [PMID: 30199617]"	"CCOP(F)(=O)CCCCCCCCCCNC(=O)C1=CC=C(C(=C1)C([O-])=O)C2=C3C=CC(=CC3=[O+]C4=CC(=CC=C24)N(C)C)N(C)C"	"JEVJWIYMEMUCFU-UHFFFAOYSA-N"	"InChI=1S/C37H47FN3O6P/c1-6-46-48(38,45)22-14-12-10-8-7-9-11-13-21-39-36(42)26-15-18-29(32(23-26)37(43)44)35-30-19-16-27(40(2)3)24-33(30)47-34-25-28(41(4)5)17-20-31(34)35/h15-20,23-25H,6-14,21-22H2,1-5H3,(H-,39,42,43,44)"	""	""	""
"6264"	"FPRL1-inhibitor protein"	""	"Peptide"	""	""	""	""	"178102884"	"0"	"A6QG57"	""	""	""	""	""	""	""	""	"FLIPr"	""	""	""	""	""	""
"6353"	"FPTQ"	""	"Synthetic organic"	""	""	""	""	"178102971"	"11301185"	""	""	"CHEMBL1645352"	""	""	""	""	"6-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]quinoline"	""	""	"Cc1c(nnn1c1cccnc1F)c1ccc2c(c1)cccn2"	"RTUBNVSZHGWRCV-UHFFFAOYSA-N"	"InChI=1S/C17H12FN5/c1-11-16(13-6-7-14-12(10-13)4-2-8-19-14)21-22-23(11)15-5-3-9-20-17(15)18/h2-10H,1H3"	""	""	""
"3024"	"FPYVAE peptide [PMID: 20494585]"	""	"Peptide"	""	""	""	""	"135651957"	"46906163"	""	""	"CHEMBL1165259"	""	""	""	""	"(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]propanamido]pentanedioic acid"	""	""	"OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N)Cc1ccc(cc1)O)C"	"QKSOHTFYHNYHRK-YFVDCHTDSA-N"	"InChI=1S/C36H48N6O10/c1-20(2)30(34(49)38-21(3)31(46)39-26(36(51)52)15-16-29(44)45)41-32(47)27(19-23-11-13-24(43)14-12-23)40-33(48)28-10-7-17-42(28)35(50)25(37)18-22-8-5-4-6-9-22/h4-6,8-9,11-14,20-21,25-28,30,43H,7,10,15-19,37H2,1-3H3,(H,38,49)(H,39,46)(H,40,48)(H,41,47)(H,44,45)(H,51,52)/t21-,25-,26-,27-,28-,30-/m0/s1"	""	""	""
"5191"	"FR122047"	""	"Synthetic organic"	""	""	""	""	"178101879"	"196841"	""	""	""	""	""	""	""	"1-{[bis(4-methoxyphenyl)-1,3-thiazol-2-yl]carbonyl}-4-methylpiperazine hydrochloride"	""	"FR 122047|FR 122047 hydrochloride|FR-122047"	"COc1ccc(cc1)c1sc(nc1c1ccc(cc1)OC)C(=O)N1CCN(CC1)C"	"UBHKJRYGKOSQDJ-UHFFFAOYSA-N"	"InChI=1S/C23H25N3O3S/c1-25-12-14-26(15-13-25)23(27)22-24-20(16-4-8-18(28-2)9-5-16)21(30-22)17-6-10-19(29-3)11-7-17/h4-11H,12-15H2,1-3H3"	"yes"	""	""
"998"	"FR139317"	""	"Synthetic organic"	""	""	""	""	"135650284"	"107810"	""	""	"CHEMBL352396"	""	""	""	""	"(2R)-2-[[(2R)-2-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid"	""	"FR 139317|FR-139317"	"CC(C[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)Cc1ccccn1)Cc1cn(c2c1cccc2)C)NC(=O)N1CCCCCC1)C"	"LIOKMIQQPDDTNO-UPRLRBBYSA-N"	"InChI=1S/C33H44N6O5/c1-22(2)18-26(37-33(44)39-16-10-4-5-11-17-39)30(40)35-27(19-23-21-38(3)29-14-7-6-13-25(23)29)31(41)36-28(32(42)43)20-24-12-8-9-15-34-24/h6-9,12-15,21-22,26-28H,4-5,10-11,16-20H2,1-3H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t26-,27+,28+/m0/s1"	""	""	""
"673"	"FR167344"	""	"Synthetic organic"	""	""	""	""	"135650285"	"9810391"	""	""	"CHEMBL1192627"	""	""	""	""	"4-[(E)-3-[[2-[[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-methylamino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylbenzamide"	""	"FR 167344|FR-167344"	"O=C(/C=C/c1ccc(cc1)C(=O)N(C)C)NCC(=O)N(c1ccc(c(c1Cl)COc1cccn2c1nc(c2Br)C)Cl)C"	"NDOBHDUXUJNXHX-NTEUORMPSA-N"	"InChI=1S/C30H28BrCl2N5O4/c1-18-28(31)38-15-5-6-24(29(38)35-18)42-17-21-22(32)12-13-23(27(21)33)37(4)26(40)16-34-25(39)14-9-19-7-10-20(11-8-19)30(41)36(2)3/h5-15H,16-17H2,1-4H3,(H,34,39)/b14-9+"	""	""	""
"674"	"FR173657"	""	"Synthetic organic"	""	""	""	""	"135650286"	"5311108"	""	""	"CHEMBL130517"	""	""	""	""	"(E)-3-(6-acetamidopyridin-3-yl)-N-[2-[[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methylamino]-2-oxoethyl]prop-2-enamide"	""	"FK-3657|FR 173657|FR-173657"	"CC(=O)Nc1ccc(cn1)/C=C/C(=O)NCC(=O)N(c1ccc(c(c1Cl)COc1cccc2c1nc(C)cc2)Cl)C"	"XCKWRUGRUFVXGC-NTEUORMPSA-N"	"InChI=1S/C30H27Cl2N5O4/c1-18-7-10-21-5-4-6-25(30(21)35-18)41-17-22-23(31)11-12-24(29(22)32)37(3)28(40)16-34-27(39)14-9-20-8-13-26(33-15-20)36-19(2)38/h4-15H,16-17H2,1-3H3,(H,34,39)(H,33,36,38)/b14-9+"	""	""	""
"5854"	"FR181157"	""	"Synthetic organic"	""	""	""	""	"178102478"	"10141039"	""	""	""	""	""	""	""	"2-[3-[[2-[4,5-di(phenyl)-1,3-oxazol-2-yl]-1-cyclohex-2-enyl]methyl]phenoxy]acetic acid"	""	"FR 181157|FR-181157"	"OC(=O)COc1cccc(c1)CC1CCCC=C1c1nc(c(o1)c1ccccc1)c1ccccc1"	"QVZSFHJAGXKMMQ-UHFFFAOYSA-N"	"InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)"	""	""	""
"668"	"FR190997"	""	"Synthetic organic"	""	""	""	""	"135650287"	"5311114"	""	""	"CHEMBL99869"	""	""	""	""	"4-[(E)-3-[[2-[[2,4-dichloro-3-[[2-methyl-4-(pyridin-2-ylmethoxy)quinolin-8-yl]oxymethyl]phenyl]-methylamino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide"	""	"FR 190997|FR-190997"	"CNC(=O)c1ccc(cc1)/C=C/C(=O)NCC(=O)N(c1ccc(c(c1Cl)COc1cccc2c1nc(C)cc2OCc1ccccn1)Cl)C"	"YFMDLMSUZMRKKH-SFQUDFHCSA-N"	"InChI=1S/C37H33Cl2N5O5/c1-23-19-32(48-21-26-7-4-5-18-41-26)27-8-6-9-31(36(27)43-23)49-22-28-29(38)15-16-30(35(28)39)44(3)34(46)20-42-33(45)17-12-24-10-13-25(14-11-24)37(47)40-2/h4-19H,20-22H2,1-3H3,(H,40,47)(H,42,45)/b17-12+"	""	""	""
"669"	"FR191413"	""	"Synthetic organic"	""	""	""	""	"135650288"	"10394861"	""	""	"CHEMBL329762"	""	""	""	""	"(E)-3-(6-acetamidopyridin-3-yl)-N-[2-[[2,4-dichloro-3-[[2-methoxy-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]oxymethyl]phenyl]-methylamino]-2-oxoethyl]prop-2-enamide"	""	"FR 191413|FR-191413"	"COc1nc2c(n1Cc1ccccn1)cccc2OCc1c(Cl)ccc(c1Cl)N(C(=O)CNC(=O)/C=C/c1ccc(nc1)NC(=O)C)C"	"KXMCFJQQOFOBKN-RVDMUPIBSA-N"	"InChI=1S/C34H31Cl2N7O5/c1-21(44)40-29-14-10-22(17-38-29)11-15-30(45)39-18-31(46)42(2)26-13-12-25(35)24(32(26)36)20-48-28-9-6-8-27-33(28)41-34(47-3)43(27)19-23-7-4-5-16-37-23/h4-17H,18-20H2,1-3H3,(H,39,45)(H,38,40,44)/b15-11+"	""	""	""
"387"	"FR194921"	""	"Synthetic organic"	""	""	""	""	"135650289"	"9821511"	""	""	""	""	""	""	""	"2-(1-methylpiperidin-4-yl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one"	""	"FR 194921|FR-194921"	"CN1CCC(CC1)n1nc(ccc1=O)c1c(nn2c1cccc2)c1ccccc1"	"YHDRUTMZCJZJAL-UHFFFAOYSA-N"	"InChI=1S/C23H23N5O/c1-26-15-12-18(13-16-26)28-21(29)11-10-19(24-28)22-20-9-5-6-14-27(20)25-23(22)17-7-3-2-4-8-17/h2-11,14,18H,12-13,15-16H2,1H3"	""	""	""
"3223"	"FR260010"	""	"Synthetic organic"	""	""	""	""	"178100281"	"9968450"	""	""	"CHEMBL1628523"	""	""	""	""	"N-[3-(4-methyl-1H-imidazol-1-yl)phenyl]-5H,6H-benzo[h]quinazolin-4-amine"	""	"FR 260010|FR-260010"	"Cc1ncn(c1)c1cccc(c1)Nc1ncnc2c1CCc1c2cccc1"	"LFKNMCJSJZOQJF-UHFFFAOYSA-N"	"InChI=1S/C22H19N5/c1-15-12-27(14-25-15)18-7-4-6-17(11-18)26-22-20-10-9-16-5-2-3-8-19(16)21(20)23-13-24-22/h2-8,11-14H,9-10H2,1H3,(H,23,24,26)"	""	""	""
"3150"	"FR-49175"	""	"Natural product"	""	""	""	""	"178100262"	"194564"	""	""	"CHEMBL1088981"	""	""	""	""	"(3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-1H,2H,3H,4H,5aH,6H,10H,10aH-piperazino[1,2-a]indole-1,4-dione"	""	"AC1L4YI4|bis(methylthio)gliotoxin|dimethylgliotoxin|FR 49175"	"CS[C@]12CC3=CC=C[C@@H]([C@H]3N2C(=O)[C@](N(C1=O)C)(SC)CO)O"	"OVBAGMZLGLXSBN-UOVKNHIHSA-N"	"InChI=1S/C15H20N2O4S2/c1-16-12(20)14(22-2)7-9-5-4-6-10(19)11(9)17(14)13(21)15(16,8-18)23-3/h4-6,10-11,18-19H,7-8H2,1-3H3/t10-,11-,14+,15+/m0/s1"	""	""	""
"9336"	"FR900359"	""	"Synthetic organic"	""	""	""	""	"318164855"	"14101198"	""	""	""	""	""	""	""	"[(1R)-1-[(3S,6S,9S,12S,18R,21S,22R)-21-acetamido-18-benzyl-3-[(1R)-1-methoxyethyl]-4,9,10,12,16-pentamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-22-propan-2-yl-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-6-yl]-2-methylpropyl] (2S,3R)-3-hydroxy-4-methyl-2-(propanoylamino)pentanoate"	""	""	"CCC(=O)N[C@@H]([C@@H](C(C)C)O)C(=O)O[C@@H]([C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@H](OC(=O)[C@H]([C@H](OC(=O)[C@@H](N(C1=O)C)[C@H](OC)C)C(C)C)NC(=O)C)Cc1ccccc1)C(C)C"	"IMXKHFILKMPFGB-ZWYWTTNJSA-N"	"InChI=1S/C49H75N7O15/c1-17-34(58)52-35(39(59)24(2)3)47(65)70-40(25(4)5)36-46(64)56(15)38(30(11)68-16)49(67)71-41(26(6)7)37(51-31(12)57)48(66)69-33(23-32-21-19-18-20-22-32)45(63)55(14)28(9)42(60)50-27(8)44(62)54(13)29(10)43(61)53-36/h18-22,24-27,29-30,33,35-41,59H,9,17,23H2,1-8,10-16H3,(H,50,60)(H,51,57)(H,52,58)(H,53,61)/t27-,29-,30+,33+,35-,36-,37-,38-,39+,40+,41+/m0/s1"	""	""	""
"8938"	"FRAX486"	""	"Synthetic organic"	""	""	""	""	"310264719"	"68060125"	""	""	""	""	""	""	""	"6-(2,4-dichlorophenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one"	""	""	"CCn1c2nc(ncc2cc(c1=O)c1ccc(cc1Cl)Cl)Nc1ccc(c(c1)F)N1CCNCC1"	"DHKFOIHIUYFSOF-UHFFFAOYSA-N"	"InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32)"	""	""	""
"8939"	"FRAX597"	""	"Synthetic organic"	""	""	""	""	"310264720"	"70934541"	""	""	""	""	""	""	""	"6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one"	""	""	"CCn1c2nc(ncc2cc(c1=O)c1ccc(cc1Cl)c1cncs1)Nc1ccc(cc1)N1CCN(CC1)C"	"DHUJCQOUWQMVCG-UHFFFAOYSA-N"	"InChI=1S/C29H28ClN7OS/c1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36/h4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34)"	""	""	""
"9208"	"fremanezumab"	""	"Antibody"	"yes"	""	""	""	"315661284"	"0"	""	""	""	""	""	""	""	""	"fremanezumab"	"Ajovy&reg;|fremanezumab-vfrm|LBR-101|PF-04427429|PF-4427429|RI-307|RN-307|RN307|TEV-48125"	""	""	""	""	""	""
"2465"	"frescolat MGA"	""	"Synthetic organic"	""	""	""	""	"53801001"	"162184"	""	""	""	""	""	""	""	"(9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-2-yl)methanol"	""	"menthone 1,2-glycerol ketal"	"OCC1COC2(O1)CC(C)CCC2C(C)C"	"ZBJCYZPANVLBRK-UHFFFAOYSA-N"	"InChI=1S/C13H24O3/c1-9(2)12-5-4-10(3)6-13(12)15-8-11(7-14)16-13/h9-12,14H,4-8H2,1-3H3"	""	""	""
"2466"	"frescolat ML"	""	"Synthetic organic"	""	""	""	""	"53800999"	"62151"	""	""	""	""	""	""	""	"[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate"	""	"(-)-menthyl lactate"	"C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(O)C)C(C)C"	"UJNOLBSYLSYIBM-SGUBAKSOSA-N"	"InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3/t9-,10?,11+,12-/m1/s1"	""	""	""
"8264"	"fresolimumab"	""	"Antibody"	""	""	""	""	"252166476"	"0"	""	""	""	""	""	""	""	""	"fresolimumab"	"GC1008|PET1073G12"	""	""	""	""	""	""
"13206"	"frevecitinib"	""	"Synthetic organic"	""	""	""	""	"491299988"	"67123870"	""	""	""	""	""	""	""	"3-[(3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-3-oxopropanenitrile"	"frevecitinib"	"example 7i [US8501735]"	"CN1C(N(C2=NC(=CC=C21)C=3C=NN4C3C=CC=C4)[C@@H]5CN(CCC5)C(CC#N)=O)=O"	"ASOKEXGIQLZRHH-HNNXBMFYSA-N"	"InChI=1S/C22H21N7O2/c1-26-19-8-7-17(16-13-24-28-12-3-2-6-18(16)28)25-21(19)29(22(26)31)15-5-4-11-27(14-15)20(30)9-10-23/h2-3,6-8,12-13,15H,4-5,9,11,14H2,1H3/t15-/m0/s1"	""	""	""
"12888"	"friluglanstat"	""	"Synthetic organic"	""	""	""	""	"485206009"	"71267445"	""	""	"CHEMBL3934885"	""	""	""	""	"N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide"	""	"example 11 [US9216968B2]"	"ClC=1C(=C(C=CC1)NC(=O)C2=CC(=CC=3NC(=NC32)COC)NC(C4=C(C=CC=C4)C(F)(F)F)=O)C"	"ZPONWJXTHMDOSV-UHFFFAOYSA-N"	"InChI=1S/C25H20ClF3N4O3/c1-13-18(26)8-5-9-19(13)32-24(35)16-10-14(11-20-22(16)33-21(31-20)12-36-2)30-23(34)15-6-3-4-7-17(15)25(27,28)29/h3-11H,12H2,1-2H3,(H,30,34)(H,31,33)(H,32,35)"	"yes"	""	""
"11752"	"FRM-024"	""	"Synthetic organic"	""	""	""	""	"458923787"	"126599754"	""	""	""	""	""	""	""	"(5S,6R)-5-(4-chlorophenyl)-6-cyclopropyl-3-[6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-yl]-5,6-dihydro-2H-1,2,4-oxadiazine"	""	"compound 41 [PMID: 34550687]|FRM024"	"Clc1ccc([C@@H]2NC(=NO[C@@H]2C2CC2)c2ccc(n3cc(C)nc3)c(OC)n2)cc1"	"IOQORVDNYPOZPL-VQTJNVASSA-N"	"InChI=1S/C22H22ClN5O2/c1-13-11-28(12-24-13)18-10-9-17(25-22(18)29-2)21-26-19(14-5-7-16(23)8-6-14)20(30-27-21)15-3-4-15/h5-12,15,19-20H,3-4H2,1-2H3,(H,26,27)/t19-,20+/m0/s1"	""	""	""
"7191"	"frovatriptan"	""	"Synthetic organic"	"yes"	""	""	""	"178103766"	"77992"	""	""	"CHEMBL1279"	""	""	""	""	"(3R)-3-(methylamino)-2,3,4,9-tetrahydro-1H-carbazole-6-carboximidic acid"	"frovatriptan"	"Frova&reg;|SB-209509-AX|VML-251"	"CN[C@H]1Cc2c(CC1)[nH]c1c2cc(cc1)C(=N)O"	"XPSQPHWEGNHMSK-SECBINFHSA-N"	"InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1"	""	""	""
"9428"	"fruquintinib"	""	"Synthetic organic"	"yes"	""	""	""	"328083528"	"44480399"	""	""	""	""	""	""	""	"6-(6,7-dimethoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide"	"fruquintinib"	"Elunate&reg;|Fruzaqla&reg;|HMPL-013|HMPL013"	"CNC(=O)c1c(C)oc2c1ccc(c2)Oc1ncnc2c1cc(OC)c(c2)OC"	"BALLNEJQLSTPIO-UHFFFAOYSA-N"	"InChI=1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)"	""	""	""
"4387"	"FSH"	"Rat"	"Peptide"	""	""	""	""	"135651746"	"0"	""	"ENSRNOG00000009269|ENSRNOG00000004898"	""	"4385|4378"	"FSH &beta; subunit|glycoprotein hormone common alpha subunit"	"P18427|P11962"	"ENSRNOG00000004898|ENSRNOG00000009269"	""	""	"follicle stimulating hormone"	""	""	""	""	""	""
"4386"	"FSH"	"Mouse"	"Peptide"	""	""	""	""	"135651748"	"0"	""	"ENSMUSG00000028298|ENSMUSG00000027120"	""	"4384|4377"	"FSH &beta; subunit|glycoprotein hormone common alpha subunit"	"Q60687|P01216"	"ENSMUSG00000027120|ENSMUSG00000028298"	""	""	"follicle stimulating hormone"	""	""	""	""	""	""
"1157"	"FSH"	"Human"	"Peptide"	"yes"	""	""	""	"135651747"	"62819"	""	"ENSG00000135346|ENSG00000131808"	"CHEMBL2108427"	"3731|3733"	"glycoprotein hormone common alpha subunit|FSH &beta; subunit"	"P01215|P01225"	"ENSG00000135346|ENSG00000131808"	""	"urofollitropin"	"follitropin|human follicle stimulating hormone"	""	""	""	""	""	""
"5536"	"FSH &alpha; subunit-deglycosylated form"	""	"Peptide"	""	""	""	""	"178102178"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4384"	"FSH &beta; subunit"	"Mouse"	"Peptide"	""	""	""	""	"135651928"	"0"	"Q60687"	"ENSMUSG00000027120"	""	""	""	""	""	""	""	"follitropin beta subunit|FSH&beta;|FSH-B|FSHB"	""	""	""	""	""	""
"3733"	"FSH &beta; subunit"	"Human"	"Peptide"	""	""	""	""	"135651926"	"0"	"P01225"	"ENSG00000131808"	""	""	""	""	""	""	""	"follitropin beta subunit|FSH beta subunit|FSH&beta;|FSH-B"	""	""	""	""	""	""
"4385"	"FSH &beta; subunit"	"Rat"	"Peptide"	""	""	""	""	"135651924"	"0"	"P18427"	"ENSRNOG00000004898"	""	""	""	""	""	""	""	"FSH beta subunit|FSH&beta;"	""	""	""	""	""	""
"5537"	"FSH &beta; subunit-deglycosylated form"	""	"Peptide"	""	""	""	""	"178102179"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1158"	"FSH deglycosylated &alpha;/&beta;"	""	"Peptide"	""	""	""	""	"135652159"	"0"	""	""	""	"5536|5537"	"FSH &alpha; subunit-deglycosylated form|FSH &beta; subunit-deglycosylated form"	"5536:no_UniProt_ID|5537:no_UniProt_ID"	"5536:no_ENS_ID|5537:no_ENS_ID"	""	""	""	""	""	""	""	""	""
"14637"	"FT385"	""	"Synthetic organic"	""	""	""	""	"530846885"	"177846468"	""	""	""	""	""	""	""	"N-[(3S)-1-cyanopyrrolidin-3-yl]-3-(2-phenoxyphenyl)-1H-pyrazole-5-carboxamide"	""	"FT3967385"	"C1CN(C[C@H]1NC(=O)C2=CC(=NN2)C3=CC=CC=C3OC4=CC=CC=C4)C#N"	"ZCZORDHKKSMJRA-HNNXBMFYSA-N"	"InChI=1S/C21H19N5O2/c22-14-26-11-10-15(13-26)23-21(27)19-12-18(24-25-19)17-8-4-5-9-20(17)28-16-6-2-1-3-7-16/h1-9,12,15H,10-11,13H2,(H,23,27)(H,24,25)/t15-/m0/s1"	""	""	""
"6531"	"FTI 276"	""	"Synthetic organic"	""	""	""	""	"178103145"	"395754"	""	""	"CHEMBL54044"	""	""	""	""	"(2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid"	""	"FTI-276|FTI276"	"CSCC[C@@H](C(=O)O)NC(=O)c1ccc(cc1c1ccccc1)NC[C@H](CS)N"	"ZIXDDEATQSBHHL-BEFAXECRSA-N"	"InChI=1S/C21H27N3O3S2/c1-29-10-9-19(21(26)27)24-20(25)17-8-7-16(23-12-15(22)13-28)11-18(17)14-5-3-2-4-6-14/h2-8,11,15,19,23,28H,9-10,12-13,22H2,1H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1"	""	""	""
"6363"	"FTIDC"	""	"Synthetic organic"	""	""	""	""	"178102981"	"11245287"	""	""	"CHEMBL502882"	""	""	""	""	"4-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]-N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide"	""	""	"CC(N(C(=O)N1CCC(=CC1)c1nnn(c1C)c1cccnc1F)C)C"	"CJTLKLBSIFQKNT-UHFFFAOYSA-N"	"InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3"	""	""	""
"1259"	"FUB 349"	""	"Synthetic organic"	""	""	""	""	"135650291"	"9990388"	""	""	"CHEMBL296450"	""	""	""	""	"4-(4-phenylbutyl)-3H-imidazole"	""	"FUB-349|FUB349"	"c1ccc(cc1)CCCCc1cnc[nH]1"	"BQTXNCXSCSNHGA-UHFFFAOYSA-N"	"InChI=1S/C13H16N2/c1-2-6-12(7-3-1)8-4-5-9-13-10-14-11-15-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,14,15)"	""	""	""
"1260"	"FUB 465"	""	"Synthetic organic"	""	""	""	""	"135650292"	"9989449"	""	""	"CHEMBL1184024"	""	""	""	""	"4-(3-ethoxypropyl)-3H-imidazole"	""	"FUB-465|FUB465"	"CCOCCCc1cnc[nH]1"	"RSHKAUMLIJVWFJ-UHFFFAOYSA-N"	"InChI=1S/C8H14N2O/c1-2-11-5-3-4-8-6-9-7-10-8/h6-7H,2-5H2,1H3,(H,9,10)"	""	""	""
"13002"	"fudapirine"	""	"Synthetic organic"	""	""	""	""	"485206123"	"156777270"	""	""	""	""	""	""	""	"(1R,2S)-1-[5-(4-chlorophenyl)-2-methoxypyridin-3-yl]-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol"	"fudapirine"	"sudapyridine|WX-081"	"CN(C)CC[C@@](C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=CC(=C4)C5=CC=C(C=C5)Cl)OC)O"	"MMUCHWPQRGEHDV-ZFEZZJPFSA-N"	"InChI=1S/C34H33ClN2O2/c1-37(2)21-20-34(38,31-15-9-13-25-10-7-8-14-29(25)31)32(26-11-5-4-6-12-26)30-22-27(23-36-33(30)39-3)24-16-18-28(35)19-17-24/h4-19,22-23,32,38H,20-21H2,1-3H3/t32-,34-/m1/s1"	""	""	"yes"
"14615"	"fudotinib"	""	"Synthetic organic"	""	""	""	""	"530846863"	"166569558"	""	""	""	""	""	""	""	""	"fudotinib"	"JYP-0322|JYP0322"	"C1CON2[C@H]1C3=C(N=CC(=C3)F)OCC4(CC4)NC(=O)C5=C6N=C2C=CN6N=C5C#N"	"TYOOGZXJXIRHNK-CQSZACIVSA-N"	"InChI=1S/C20H16FN7O3/c21-11-7-12-14-2-6-31-28(14)15-1-5-27-17(24-15)16(13(8-22)26-27)18(29)25-20(3-4-20)10-30-19(12)23-9-11/h1,5,7,9,14H,2-4,6,10H2,(H,25,29)/t14-/m1/s1"	""	""	""
"14377"	"fulipiftide"	""	"Peptide"	""	""	""	""	"523352169"	"177669090"	""	""	""	""	""	""	""	""	"fulipiftide"	"BR 21001|BR21001|BRM-421|BRM421|PSP 29-mer"	"C(N[C@H](C(N[C@H](C(N[C@@H](CC1=CN=CN1)C(NCC(N[C@@H]([C@@H](C)O)C(N)=O)=O)=O)=O)[C@H](CC)C)=O)CC(O)=O)(=O)[C@H]2N(C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC3=CC=C(O)C=C3)NC([C@H](CC4=CC=C(O)C=C4)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC5=CN=CN5)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC(C)=O)CO)=O)CC(C)C)=O)=O)C)=O)CCC(O)=O)=O)CCC(N)=O)=O)CCCNC(=N)N)=O)[C@@H](C)O)=O)CCC(O)=O)=O)CO)=O)[C@H](CC)C)=O)[C@H](CC)C)=O)=O)CCCNC(=N)N)=O)C)=O)CC(C)C)=O)=O)=O)CC(O)=O)=O)CC(C)C)=O)[C@H](CC)C)=O)CO)=O)CO)=O)CCC2"	"WKXNKQZYGSNBDJ-VGQQASIRSA-N"	"InChI=1S/C144H227N41O47/c1-20-69(11)110(137(227)174-94(52-80-56-151-64-157-80)120(210)156-59-105(197)179-114(75(17)190)116(146)206)181-132(222)97(55-109(204)205)173-136(226)102-29-26-46-185(102)142(232)101(63-189)178-134(224)99(61-187)177-139(229)111(70(12)21-2)180-131(221)91(49-68(9)10)169-130(220)96(54-108(202)203)172-128(218)93(51-79-32-36-83(194)37-33-79)171-127(217)92(50-78-30-34-82(193)35-31-78)170-126(216)90(48-67(7)8)167-118(208)74(16)160-121(211)84(27-24-44-153-143(147)148)164-129(219)95(53-81-57-152-65-158-81)175-138(228)112(71(13)22-3)183-140(230)113(72(14)23-4)182-135(225)100(62-188)176-124(214)88(40-43-107(200)201)166-141(231)115(76(18)191)184-125(215)85(28-25-45-154-144(149)150)163-122(212)86(38-41-103(145)195)165-123(213)87(39-42-106(198)199)162-117(207)73(15)159-104(196)58-155-119(209)89(47-66(5)6)168-133(223)98(60-186)161-77(19)192/h30-37,56-57,64-76,84-102,110-115,186-191,193-194H,20-29,38-55,58-63H2,1-19H3,(H2,145,195)(H2,146,206)(H,151,157)(H,152,158)(H,155,209)(H,156,210)(H,159,196)(H,160,211)(H,161,192)(H,162,207)(H,163,212)(H,164,219)(H,165,213)(H,166,231)(H,167,208)(H,168,223)(H,169,220)(H,170,216)(H,171,217)(H,172,218)(H,173,226)(H,174,227)(H,175,228)(H,176,214)(H,177,229)(H,178,224)(H,179,197)(H,180,221)(H,181,222)(H,182,225)(H,183,230)(H,184,215)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H4,147,148,153)(H4,149,150,154)/t69-,70-,71-,72-,73-,74-,75+,76+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,110-,111-,112-,113-,114-,115-/m0/s1"	""	""	""
"8964"	"fulranumab"	""	"Antibody"	""	""	""	""	"310264744"	"0"	""	""	""	""	""	""	""	""	"fulranumab"	"AMG-403|JNJ-42160443"	""	""	""	""	""	""
"1015"	"fulvestrant"	""	"Synthetic organic"	"yes"	""	""	""	"135650370"	"104741"	""	""	"CHEMBL1358"	""	""	""	""	"(7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol"	"fulvestrant"	"Faslodex&reg;|ICI 182,780|ICI 182780|ICI182780|ZD-9238"	"O=S(CCCC(C(F)(F)F)(F)F)CCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@@H]2[C@@H]1[C@@H]1CC[C@@H]([C@]1(CC2)C)O"	"VWUXBMIQPBEWFH-WCCTWKNTSA-N"	"InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1"	""	""	""
"12393"	"fulzerasib"	""	"Synthetic organic"	"yes"	""	""	""	"479821184"	"156732294"	""	""	"CHEMBL5314463"	""	""	""	""	""	"fulzerasib"	"Dupert&reg;|GFH925|IBI351|structure Z25-2 [WO2021083167A1]"	"[C@H]12CN(CCN1c1c(N(C)C2=O)c(=O)n(c2c1cc(Cl)c(n2)c1c(O)cccc1F)c1c(nccc1C)C(C)C)C(=O)C=C"	"PYKBFRQMXJWLGG-OAQYLSRUSA-N"	"InChI=1S/C32H30ClFN6O4/c1-6-23(42)38-12-13-39-21(15-38)31(43)37(5)29-28(39)18-14-19(33)26(24-20(34)8-7-9-22(24)41)36-30(18)40(32(29)44)27-17(4)10-11-35-25(27)16(2)3/h6-11,14,16,21,41H,1,12-13,15H2,2-5H3/t21-/m1/s1"	""	""	""
"10008"	"Fumitremorgin C"	""	"Synthetic organic"	""	""	""	""	"374883895"	"403923"	""	""	""	""	""	""	""	"(5aS,12S,14aS)-1,2,3,5a,6,11,12,14a-Octahydro-9-methoxy-12-(2-methyl-1-propen-1-yl)-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione"	""	""	"COc1ccc2c(c1)[nH]c1c2C[C@@H]2N([C@H]1C=C(C)C)C(=O)[C@H]1N(C2=O)CCC1"	"DBEYVIGIPJSTOR-FHWLQOOXSA-N"	"InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1"	""	""	""
"12644"	"funapide"	""	"Synthetic organic"	""	""	""	""	"483123192"	"49836093"	""	""	"CHEMBL3707218"	""	""	""	""	"(7S)-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one"	"fumoxicillin"	"compound 1 [PMID: 31012583]|FX301|PCRX301|TV-45070|TV45070|XEN-402|XEN402|XPF-002"	"C1[C@]2(C3=CC=CC=C3N(C2=O)CC4=CC=C(O4)C(F)(F)F)C5=CC6=C(C=C5O1)OCO6"	"NEBUOXBYNAHKFV-NRFANRHFSA-N"	"InChI=1S/C22H14F3NO5/c23-22(24,25)19-6-5-12(31-19)9-26-15-4-2-1-3-13(15)21(20(26)27)10-28-16-8-18-17(7-14(16)21)29-11-30-18/h1-8H,9-11H2/t21-/m0/s1"	""	""	""
"13114"	"funobactam"	""	"Synthetic organic"	""	""	""	""	"491299896"	"158340749"	""	""	"CHEMBL5095101"	""	""	""	""	"[(2S,5R)-2-[5-[(4S)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate"	"funobactam"	"XNW4107"	"C1CC12C[C@H](N3C[C@@H]2N(C3=O)OS(=O)(=O)O)C4=NN=C(O4)[C@@H]5CNC(=N5)N"	"GRRBXZJDEZJMHA-FXQIFTODSA-N"	"InChI=1S/C13H17N7O6S/c14-11-15-4-6(16-11)9-17-18-10(25-9)7-3-13(1-2-13)8-5-19(7)12(21)20(8)26-27(22,23)24/h6-8H,1-5H2,(H3,14,15,16)(H,22,23,24)/t6-,7-,8-/m0/s1"	""	""	"yes"
"12367"	"furagin"	""	"Synthetic organic"	"yes"	""	""	""	"479821158"	"146690"	""	""	""	""	""	""	""	"1-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]imidazolidine-2,4-dione"	""	"furazidin|furazidine|NF416"	"C1C(=O)NC(=O)N1N=CC=CC2=CC=C(O2)[N+](=O)[O-]"	"DECBQELQORZLLP-UHFFFAOYSA-N"	"InChI=1S/C10H8N4O5/c15-8-6-13(10(16)12-8)11-5-1-2-7-3-4-9(19-7)14(17)18/h1-5H,6H2,(H,12,15,16)"	""	""	"yes"
"13898"	"furaltadone"	""	"Synthetic organic"	"yes"	""	""	""	"513757583"	"9553856"	""	""	"CHEMBL1189513"	""	""	""	""	"N-hydroxy-5-[(E)-[5-(morpholin-4-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]iminomethyl]furan-2-amine oxide"	"furaltadone"	"Altafur&reg;|furmethonol"	"C1COCCN1CC2CN(C(=O)O2)/N=C/C3=CC=C(O3)[N+](=O)[O-]"	"YVQVOQKFMFRVGR-VGOFMYFVSA-N"	"InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2/b14-7+"	""	""	"yes"
"12343"	"furazolidone"	""	"Synthetic organic"	"yes"	""	""	""	"479821134"	"3435"	""	""	"CHEMBL1374738"	""	""	""	""	"3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one"	"furazolidone"	"Furoxone&reg;"	"C1COC(=O)N1N=Cc1ccc(o1)[N+](=O)[O-]"	"PLHJDBGFXBMTGZ-UHFFFAOYSA-N"	"InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2"	""	""	"yes"
"10814"	"furazolium"	""	"Synthetic organic"	""	""	""	""	"405560255"	"68631"	""	""	"CHEMBL2110940"	""	""	""	""	"3-(5-nitrofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole"	"furazolium chloride"	"Novofur"	"[O-][N+](=O)c1ccc(o1)c1csc2=NCCn12"	"QWNNGDMXFGRSPJ-UHFFFAOYSA-N"	"InChI=1S/C9H7N3O3S/c13-12(14)8-2-1-7(15-8)6-5-16-9-10-3-4-11(6)9/h1-2,5H,3-4H2"	""	""	"yes"
"11378"	"furegrelate sodium"	""	"Synthetic organic"	""	""	""	""	"440816747"	"23663954"	""	""	"CHEMBL36028"	""	""	""	""	"sodium;5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate"	""	"U-63557A|U63557A"	"[O-]C(=O)c1oc2c(c1)cc(cc2)Cc1cccnc1.[Na+]"	"XBTIPIZROJAKOJ-UHFFFAOYSA-M"	"InChI=1S/C15H11NO3.Na/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11;/h1-5,7-9H,6H2,(H,17,18);/q;+1/p-1"	""	""	""
"8668"	"furin inhibitor peptide"	""	"Peptide"	""	""	""	""	"252166868"	"44584947"	""	""	"CHEMBL502642"	""	""	""	""	"(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carboxamide"	""	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)[C@H](O)C)CCCN=C(N)N)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)N)CCCN=C(N)N)C)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N"	"XIHRZTWKTVFWSV-HQSWAJDZSA-N"	"InChI=1S/C58H113N29O13/c1-30(78-45(92)35(16-8-24-73-54(63)64)85-52(99)40-21-13-29-87(40)53(100)41(61)31(2)88)44(91)79-36(17-9-25-74-55(65)66)48(95)82-38(19-11-27-76-57(69)70)50(97)83-37(18-10-26-75-56(67)68)49(96)81-33(14-4-6-22-59)46(93)80-34(15-5-7-23-60)47(94)84-39(20-12-28-77-58(71)72)51(98)86-42(32(3)89)43(62)90/h30-42,88-89H,4-29,59-61H2,1-3H3,(H2,62,90)(H,78,92)(H,79,91)(H,80,93)(H,81,96)(H,82,95)(H,83,97)(H,84,94)(H,85,99)(H,86,98)(H4,63,64,73)(H4,65,66,74)(H4,67,68,75)(H4,69,70,76)(H4,71,72,77)/t30-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1"	""	""	""
"4839"	"furosemide"	""	"Synthetic organic"	"yes"	""	""	""	"178101541"	"3440"	""	""	"CHEMBL35"	""	""	""	""	"4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acid"	"furosemide"	"dihydroflumethiazide|frusemide|Lasix&reg;|methforylthiazidine"	"OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N"	"ZZUFCTLCJUWOSV-UHFFFAOYSA-N"	"InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)"	""	""	""
"299"	"furtrethonium"	""	"Synthetic organic"	""	""	""	""	"135650293"	"10938"	""	""	"CHEMBL2110739"	""	""	""	""	"furan-2-ylmethyl-trimethylazanium"	"furtrethonium iodide"	"furmethide"	"C[N+](Cc1ccco1)(C)C"	"HEDXEAAVEOJUCR-UHFFFAOYSA-N"	"InChI=1S/C8H14NO/c1-9(2,3)7-8-5-4-6-10-8/h4-6H,7H2,1-3H3/q+1"	""	""	""
"10815"	"fusidic acid"	""	"Natural product"	"yes"	""	""	""	"405560256"	"3000226"	""	""	"CHEMBL374975"	""	""	""	""	"(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid"	"fusidic acid"	"CEM-102|CEM102|Fucidin&reg;|fusidate|sodium fusidate|Taksta&reg;"	"CC(=O)O[C@H]1C[C@]2([C@H](/C/1=C(/C(=O)O)\CCC=C(C)C)C[C@H]([C@@H]1[C@]2(C)CC[C@@H]2[C@]1(C)CC[C@H]([C@H]2C)O)O)C"	"IECPWNUMDGFDKC-MZJAQBGESA-N"	"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1"	""	""	"yes"
"9786"	"futibatinib"	""	"Synthetic organic"	"yes"	""	""	""	"354702259"	"71621331"	""	""	"CHEMBL3701238"	""	""	""	""	"1-[(3S)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one"	"futibatinib"	"Example 2 [WO2013108809]|FGFR-IN-1|Lytgobi&reg;|TAS 120|TAS-120|TAS120"	"C=CC(=O)N1CC[C@@H](C1)n1nc(c2c1ncnc2N)C#Cc1cc(OC)cc(c1)OC"	"KEIPNCCJPRMIAX-HNNXBMFYSA-N"	"InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1"	""	""	""
"12200"	"FUZS-5"	""	"Synthetic organic"	""	""	""	""	"472319320"	"15277004"	""	""	"CHEMBL463853"	""	""	""	""	"1-[(2R,4S,5S)-4-hydroxy-5-(sulfanylmethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione"	""	"5'-deoxy-5'-thiothymidine|5'-Thiothymidine"	"Cc1cn(c(=O)[nH]c1=O)[C@H]1C[C@@H]([C@H](O1)CS)O"	"CPEAGKYEYPXTSP-XLPZGREQSA-N"	"InChI=1S/C10H14N2O4S/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(4-17)16-8/h3,6-8,13,17H,2,4H2,1H3,(H,11,14,15)/t6-,7+,8+/m0/s1"	""	""	""
"9672"	"FX1"	""	"Synthetic organic"	""	""	""	""	"348353631"	"131801157"	""	""	""	""	""	""	""	"3-{5-[(3Z)-5-chloro-2-oxo-2,3,3a,7a-tetrahydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid"	""	""	"OC(=O)CCN1C(=S)S/C(=C/2\C(=O)NC3C2C=C(Cl)C=C3)/C1=O"	"NLLDCQPHRJHMSX-KHPPLWFESA-N"	"InChI=1S/C14H11ClN2O4S2/c15-6-1-2-8-7(5-6)10(12(20)16-8)11-13(21)17(14(22)23-11)4-3-9(18)19/h1-2,5,7-8H,3-4H2,(H,16,20)(H,18,19)/b11-10-"	""	""	""
"12626"	"FX-909"	""	"Synthetic organic"	""	""	""	""	"479821416"	"167993670"	""	""	""	""	""	""	""	"3-(5,7-difluoro-4-oxo-1,4-dihydroquinolin-2-yl)-4-methanesulfonylbenzonitrile"	""	"FX 909|FX909"	"CS(=O)(=O)C1=CC=C(C=C1C2=CC(=O)C3=C(N2)C=C(F)C=C3F)C#N"	"RBUBBZVQPHSZEZ-UHFFFAOYSA-N"	"InChI=1S/C17H10F2N2O3S/c1-25(23,24)16-3-2-9(8-20)4-11(16)13-7-15(22)17-12(19)5-10(18)6-14(17)21-13/h2-7H,1H3,(H,21,22)"	""	""	""
"12133"	"FXIa inhibitor 3f"	""	"Synthetic organic"	""	""	""	""	"472319255"	"164607233"	""	""	""	""	""	""	""	"5-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-2-[(1R)-3-(difluoromethoxy)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]propyl]-1-oxidopyridin-1-ium"	""	""	"Clc1c(c(c(cc1)n1nnc(c1)Cl)c1ccc([n+](c1)[O-])[C@@H](CCOC(F)F)n1ncc(c1)c1cnnn1C)F"	"BETDGMHNHGHORO-MRXNPFEDSA-N"	"InChI=1S/C23H18Cl2F3N9O2/c1-34-19(9-29-32-34)14-8-30-35(10-14)16(6-7-39-23(27)28)17-4-2-13(11-37(17)38)21-18(5-3-15(24)22(21)26)36-12-20(25)31-33-36/h2-5,8-12,16,23H,6-7H2,1H3/t16-/m1/s1"	""	""	""
"14446"	"FXR DUBTAC D11"	""	"Synthetic organic"	""	""	""	""	"528429767"	"176656595"	""	""	""	""	""	""	""	"(4R)-4-[(3R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[3-[3-[5-(2-oxo-4-prop-2-enoylpiperazin-1-yl)furan-2-yl]propanoylamino]propyl]pentanamide"	""	""	"O[C@@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@H](C)CCC(NCCCNC(CCC=5OC(=CC5)N6C(CN(C(C=C)=O)CC6)=O)=O)=O)CC[C@@]4([H])[C@]3([H])[C@H](O)C(CC)C2C1"	"HYDUPTNRQFZKML-FIIIELCYSA-N"	"InChI=1S/C43H66N4O7/c1-6-30-34-25-28(48)17-19-43(34,5)33-18-20-42(4)31(12-13-32(42)40(33)41(30)53)27(3)9-14-35(49)44-21-8-22-45-36(50)15-10-29-11-16-39(54-29)47-24-23-46(26-38(47)52)37(51)7-2/h7,11,16,27-28,30-34,40-41,48,53H,2,6,8-10,12-15,17-26H2,1,3-5H3,(H,44,49)(H,45,50)/t27-,28-,30?,31-,32+,33+,34?,40+,41-,42-,43-/m1/s1"	""	""	""
"10324"	"Fz7-21"	""	"Peptide"	""	""	""	""	"381745005"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10322"	"FzM1"	""	"Synthetic organic"	""	""	""	""	"381745003"	"90478321"	""	""	""	""	""	""	""	"3-[3-hydroxy-5-(thiophen-2-yl)phenyl]-1-(naphthalen-2-yl)urea"	""	""	"O=C(Nc1ccc2c(c1)cccc2)Nc1cc(O)cc(c1)c1cccs1"	"OBTSACXGWYGCPK-UHFFFAOYSA-N"	"InChI=1S/C21H16N2O2S/c24-19-12-16(20-6-3-9-26-20)11-18(13-19)23-21(25)22-17-8-7-14-4-1-2-5-15(14)10-17/h1-13,24H,(H2,22,23,25)"	""	""	""
"10321"	"FzM1.8"	""	"Synthetic organic"	""	""	""	""	"381745002"	"137553171"	""	""	""	""	""	""	""	"3-hydroxy-5-{[(naphthalen-2-yl)carbamoyl]amino}benzoic acid"	""	""	"O=C(Nc1ccc2c(c1)cccc2)Nc1cc(O)cc(c1)C(=O)O"	"XGNNCRZDDAJBFU-UHFFFAOYSA-N"	"InChI=1S/C18H14N2O4/c21-16-9-13(17(22)23)8-15(10-16)20-18(24)19-14-6-5-11-3-1-2-4-12(11)7-14/h1-10,21H,(H,22,23)(H2,19,20,24)"	""	""	""
"13608"	"G0775"	""	"Synthetic organic"	""	""	""	""	"504705427"	"134827876"	""	""	""	""	""	""	""	"(8S,11S,14S)-14-[[(2S)-4-amino-2-[[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino]butanoyl]-methylamino]-3,18-bis(2-aminoethoxy)-N-(cyanomethyl)-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1<sup>2,6</sup>]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide"	""	""	"C[C@H]1C(=O)N[C@@H](CC2=CC(=C(C=C2)OCCN)C3=C(C=CC(=C3)[C@@H](C(=O)N1)N(C)C(=O)[C@H](CCN)NC(=O)C4=CN=C(N=C4C)C5=CC=C(C=C5)C(C)(C)C)OCCN)C(=O)NCC#N"	"FNOKZRYCHPSURW-WFXFPESJSA-N"	"InChI=1S/C47H59N11O7/c1-27-35(26-53-41(54-27)30-8-11-32(12-9-30)47(3,4)5)43(60)56-36(15-16-48)46(63)58(6)40-31-10-14-39(65-22-19-51)34(25-31)33-23-29(7-13-38(33)64-21-18-50)24-37(44(61)52-20-17-49)57-42(59)28(2)55-45(40)62/h7-14,23,25-26,28,36-37,40H,15-16,18-22,24,48,50-51H2,1-6H3,(H,52,61)(H,55,62)(H,56,60)(H,57,59)/t28-,36-,37-,40-/m0/s1"	""	""	"yes"
"1014"	"G-1"	""	"Synthetic organic"	""	""	""	""	"135650294"	"5322399"	""	""	"CHEMBL569766"	""	""	""	""	"1-[(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone"	""	"G1|LNS-8801|LNS8801"	"CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1cc2OCOc2cc1Br"	"VHSVKVWHYFBIFJ-HKZYLEAXSA-N"	"InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1"	""	""	""
"9206"	"G10 [PMID: 26646986]"	""	"Synthetic organic"	""	""	""	""	"315661282"	"5077622"	""	""	""	""	""	""	""	"4-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide"	""	""	"O=C(c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2)NCc1ccco1"	"NAGKYJATVFXZKN-UHFFFAOYSA-N"	"InChI=1S/C21H16ClFN2O3S/c22-16-4-1-5-17(23)15(16)11-25-18-9-13(6-7-19(18)29-12-20(25)26)21(27)24-10-14-3-2-8-28-14/h1-9H,10-12H2,(H,24,27)"	""	""	""
"3320"	"G15"	""	"Synthetic organic"	""	""	""	""	"178100354"	"7433743"	""	""	"CHEMBL583543"	""	""	""	""	"(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline"	""	"G-15"	"Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@H]2[C@@H]1CC=C2"	"YOLTZIVRJAPVPH-MJLGCCKJSA-N"	"InChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13-,19+/m0/s1"	""	""	""
"6480"	"G36"	""	"Synthetic organic"	""	""	""	""	"178103094"	"73755224"	""	""	""	""	""	""	""	"(3aS,4R,9bR)-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-8-(propan-2-yl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline"	""	"G-36"	"CC(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1cc2OCOc2cc1Br)C"	"QTOCPACSSHFGOY-ZCCHDVMBSA-N"	"InChI=1S/C22H22BrNO2/c1-12(2)13-6-7-19-16(8-13)14-4-3-5-15(14)22(24-19)17-9-20-21(10-18(17)23)26-11-25-20/h3-4,6-10,12,14-15,22,24H,5,11H2,1-2H3/t14-,15+,22-/m1/s1"	""	""	""
"6588"	"G4120"	""	"Peptide"	""	""	""	""	"178103201"	"15432037"	""	""	""	""	""	""	""	""	""	"cyclic Arg-Gly-Asp-containing pentapeptide|cyclic RGD|G 4120|G-4120|L-cysteine, N-(mercaptoacetyl)-D-tyrosyl-L-arginylglycyl-L-alpha- aspartyl-cyclic(1-->5)-sulfide, 5-oxide"	"SC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CCCN=C(N)N"	"BIEZITROCMXFHL-QAETUUGQSA-N"	"InChI=1S/C24H36N8O9S/c25-14(8-12-3-5-13(33)6-4-12)20(37)31-15(2-1-7-28-24(26)27)21(38)29-10-18(34)30-16(9-19(35)36)22(39)32-17(11-42)23(40)41/h3-6,14-17,33,42H,1-2,7-11,25H2,(H,29,38)(H,30,34)(H,31,37)(H,32,39)(H,35,36)(H,40,41)(H4,26,27,28)/t14-,15-,16-,17-/m0/s1"	""	""	""
"14580"	"GA31"	""	"Peptide"	""	""	""	""	"530846828"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"1067"	"GABA"	""	"Metabolite"	""	""	""	""	"135651489"	"119"	""	""	"CHEMBL96"	""	""	""	""	"4-Aminobutanoic acid"	""	"&gamma;-amino butyric acid|4-aminobutyric acid|gamma-aminobutyric acid"	"NCCCC(=O)O"	"BTCSSZJGUNDROE-UHFFFAOYSA-N"	"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)"	""	""	""
"5483"	"gabapentin"	""	"Synthetic organic"	"yes"	""	""	""	"178102130"	"3446"	""	""	"CHEMBL940"	""	""	""	""	"2-[1-(aminomethyl)cyclohexyl]acetic acid"	"gabapentin"	"CI 945|Go 3450|GOE 2450|GOE 3450|Neurontin&reg;"	"NCC1(CCCCC1)CC(=O)O"	"UGJMXCAKCUNAIE-UHFFFAOYSA-N"	"InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)"	"yes"	""	""
"7560"	"gabapentin enacarbil"	""	"Synthetic organic"	"yes"	""	""	""	"223365896"	"9883933"	""	""	"CHEMBL1628502"	""	""	""	""	"2-[1-[[1-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]acetic acid"	"gabapentin enacarbil"	"Horizant&reg;|Regnite&reg;|XP-13512"	"CC(OC(=O)C(C)C)OC(=O)NCC1(CCCCC1)CC(=O)O"	"TZDUHAJSIBHXDL-UHFFFAOYSA-N"	"InChI=1S/C16H27NO6/c1-11(2)14(20)22-12(3)23-15(21)17-10-16(9-13(18)19)7-5-4-6-8-16/h11-12H,4-10H2,1-3H3,(H,17,21)(H,18,19)"	""	""	""
"4197"	"gabazine"	""	"Synthetic organic"	""	""	""	""	"178101014"	"107896"	""	""	"CHEMBL32503"	""	""	""	""	"4-[6-imino-3-(4-methoxyphenyl)-1,6-dihydropyridazin-1-yl]butanoic acid"	""	"SR-95531|SR95531"	"COc1ccc(cc1)c1ccc(=N)n(n1)CCCC(=O)O"	"ACVGNKYJVGNLIL-UHFFFAOYSA-N"	"InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)"	""	""	""
"7863"	"gabexate"	""	"Synthetic organic"	"yes"	""	""	""	"223366193"	"3447"	""	""	"CHEMBL87563"	""	""	""	""	"ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate"	"gabexate"	""	"CCOC(=O)c1ccc(cc1)OC(=O)CCCCCN=C(N)N"	"YKGYIDJEEQRWQH-UHFFFAOYSA-N"	"InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)"	""	""	""
"4322"	"gaboxadol"	""	"Synthetic organic"	""	""	""	""	"178101139"	"3448"	""	""	"CHEMBL312443"	""	""	""	""	"2H,3H,4H,5H,6H,7H-[1,2]oxazolo[5,4-c]pyridin-3-one"	"gaboxadol"	"LU-02030|MK-0928|MK0928|OV101|THIP"	"O=c1[nH]oc2c1CCNC2"	"ZXRVKCBLGJOCEE-UHFFFAOYSA-N"	"InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)"	""	""	""
"5639"	"Ga-DOTA-NOC"	""	"Peptide"	""	""	""	""	"178102267"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5632"	"[Ga-DOTA,Tyr<sup>3</sup>,Thr<sup>8</sup>]octreotide"	""	"Peptide"	""	""	""	""	"178102261"	"0"	""	""	""	""	""	""	""	""	""	"Ga-DOTA-octreotate|Ga-DOTA-TATE|Ga-DOTATATE"	""	""	""	""	""	""
"5640"	"Ga-KE88"	""	"Peptide"	""	""	""	""	"178102268"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14214"	"GAL-101"	""	"Peptide"	""	""	""	""	"521588854"	"66692365"	""	""	""	""	""	""	""	"2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-2-methylpropanoic acid"	""	"D-Trp-Aib|GAL101|MRZ-99030"	"CC(C)(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O"	"SHAXSXUDZJSSCN-UHFFFAOYSA-N"	"InChI=1S/C15H19N3O3/c1-15(2,14(20)21)18-13(19)11(16)7-9-8-17-12-6-4-3-5-10(9)12/h3-6,8,11,17H,7,16H2,1-2H3,(H,18,19)(H,20,21)"	""	""	""
"410"	"galangin"	""	"Natural product"	""	""	""	""	"135650295"	"5281616"	""	""	"CHEMBL309490"	""	""	""	""	"3,5,7-trihydroxy-2-phenylchromen-4-one"	""	"3,5,7-trihydroxyflavone|3,5,7-triOH-flavone|norizalpinin|NSC-407229"	"Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1"	"VCCRNZQBSJXYJD-UHFFFAOYSA-N"	"InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H"	""	""	""
"3592"	"galanin"	"Human"	"Peptide"	""	""	""	""	"135651751"	"155817445"	"P22466"	"ENSG00000069482"	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O"	"CBSXZYWGVAQSHI-RUKUCZSXSA-N"	"InChI=1S/C139H210N42O43/c1-65(2)38-84(165-121(206)86(40-67(5)6)166-123(208)88(43-75-31-33-79(188)34-32-75)161-106(193)55-151-114(199)70(11)157-131(216)97(59-182)175-127(212)95(49-104(144)191)170-122(207)87(41-68(7)8)173-136(221)112(72(13)186)180-130(215)90(159-105(192)51-141)44-76-52-150-81-27-19-18-26-80(76)81)116(201)154-58-109(196)181-37-23-30-101(181)134(219)172-91(45-77-53-147-63-155-77)120(205)158-71(12)115(200)178-111(69(9)10)135(220)153-57-108(195)162-94(48-103(143)190)126(211)168-92(46-78-54-148-64-156-78)125(210)164-83(29-22-36-149-139(145)146)119(204)174-98(60-183)132(217)167-89(42-74-24-16-15-17-25-74)124(209)176-99(61-184)133(218)171-96(50-110(197)198)128(213)163-82(28-20-21-35-140)118(203)169-93(47-102(142)189)117(202)152-56-107(194)160-85(39-66(3)4)129(214)179-113(73(14)187)137(222)177-100(62-185)138(223)224/h15-19,24-27,31-34,52-54,63-73,82-101,111-113,150,182-188H,20-23,28-30,35-51,55-62,140-141H2,1-14H3,(H2,142,189)(H2,143,190)(H2,144,191)(H,147,155)(H,148,156)(H,151,199)(H,152,202)(H,153,220)(H,154,201)(H,157,216)(H,158,205)(H,159,192)(H,160,194)(H,161,193)(H,162,195)(H,163,213)(H,164,210)(H,165,206)(H,166,208)(H,167,217)(H,168,211)(H,169,203)(H,170,207)(H,171,218)(H,172,219)(H,173,221)(H,174,204)(H,175,212)(H,176,209)(H,177,222)(H,178,200)(H,179,214)(H,180,215)(H,197,198)(H,223,224)(H4,145,146,149)/t70-,71-,72+,73+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,111-,112-,113-/m0/s1"	""	""	""
"3593"	"galanin"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651750"	"16133243"	"P10683|P47212"	"ENSRNOG00000015156|ENSMUSG00000024907"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6129"	"galanin"	"Pig"	"Peptide"	""	""	""	""	"178102750"	"155817484"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O"	"WVFODTWUOPGPAP-CIJSCKBQSA-N"	"InChI=1S/C146H212N42O41/c1-15-75(10)119(186-122(205)77(12)165-128(211)101(51-84-60-153-68-161-84)181-142(225)110-31-24-42-188(110)116(199)65-160-123(206)93(43-71(2)3)172-129(212)95(45-73(6)7)173-131(214)98(49-82-34-38-88(193)39-35-82)169-114(197)63-158-121(204)76(11)164-140(223)108(66-189)185-136(219)105(55-112(150)195)178-130(213)96(46-74(8)9)182-144(227)120(79(14)191)187-139(222)100(167-113(196)58-148)50-83-59-157-90-28-20-19-27-89(83)90)143(226)183-107(57-118(202)203)138(221)179-104(54-111(149)194)135(218)177-102(52-85-61-154-69-162-85)133(216)171-92(30-23-41-156-146(151)152)126(209)184-109(67-190)141(224)175-99(47-80-25-17-16-18-26-80)132(215)176-103(53-86-62-155-70-163-86)134(217)180-106(56-117(200)201)137(220)170-91(29-21-22-40-147)125(208)174-97(48-81-32-36-87(192)37-33-81)124(207)159-64-115(198)168-94(44-72(4)5)127(210)166-78(13)145(228)229/h16-20,25-28,32-39,59-62,68-79,91-110,119-120,157,189-193H,15,21-24,29-31,40-58,63-67,147-148H2,1-14H3,(H2,149,194)(H2,150,195)(H,153,161)(H,154,162)(H,155,163)(H,158,204)(H,159,207)(H,160,206)(H,164,223)(H,165,211)(H,166,210)(H,167,196)(H,168,198)(H,169,197)(H,170,220)(H,171,216)(H,172,212)(H,173,214)(H,174,208)(H,175,224)(H,176,215)(H,177,218)(H,178,213)(H,179,221)(H,180,217)(H,181,225)(H,182,227)(H,183,226)(H,184,209)(H,185,219)(H,186,205)(H,187,222)(H,200,201)(H,202,203)(H,228,229)(H4,151,152,156)/t75-,76-,77-,78-,79+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-,120-/m0/s1"	""	""	""
"6094"	"galanin(10-29) (pig)"	""	"Peptide"	""	""	""	""	"178102715"	"155817483"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O"	"UAOTUUKSRUXJQS-UDKLMHSUSA-N"	"InChI=1S/C102H153N31O28/c1-11-54(8)83(132-84(143)55(9)117-91(150)70(36-59-42-108-48-114-59)129-99(158)77-23-18-30-133(77)80(138)46-113-86(145)66(32-52(4)5)122-85(144)63(104)31-51(2)3)100(159)130-75(41-82(141)142)97(156)127-73(39-78(105)136)95(154)126-71(37-60-43-109-49-115-60)93(152)121-65(22-17-29-111-102(106)107)89(148)131-76(47-134)98(157)124-69(34-57-19-13-12-14-20-57)92(151)125-72(38-61-44-110-50-116-61)94(153)128-74(40-81(139)140)96(155)120-64(21-15-16-28-103)88(147)123-68(35-58-24-26-62(135)27-25-58)87(146)112-45-79(137)119-67(33-53(6)7)90(149)118-56(10)101(160)161/h12-14,19-20,24-27,42-44,48-56,63-77,83,134-135H,11,15-18,21-23,28-41,45-47,103-104H2,1-10H3,(H2,105,136)(H,108,114)(H,109,115)(H,110,116)(H,112,146)(H,113,145)(H,117,150)(H,118,149)(H,119,137)(H,120,155)(H,121,152)(H,122,144)(H,123,147)(H,124,157)(H,125,151)(H,126,154)(H,127,156)(H,128,153)(H,129,158)(H,130,159)(H,131,148)(H,132,143)(H,139,140)(H,141,142)(H,160,161)(H4,106,107,111)/t54-,55-,56-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,83-/m0/s1"	""	""	""
"6093"	"galanin(10-29) (rat/mouse)"	""	"Peptide"	""	""	""	""	"178102714"	"155817482"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O"	"VPBCUXGDMVBSJJ-QSWXDPCQSA-N"	"InChI=1S/C97H151N31O29/c1-11-50(8)77(126-79(139)51(9)112-85(145)64(32-55-38-104-45-110-55)122-94(154)71-23-18-26-128(71)74(134)41-108-81(141)60(28-48(4)5)116-80(140)57(99)27-47(2)3)95(155)123-68(36-76(137)138)90(150)120-66(34-72(100)132)88(148)119-65(33-56-39-105-46-111-56)87(147)115-59(22-17-25-106-97(101)102)84(144)124-69(42-129)92(152)117-62(30-53-19-13-12-14-20-53)86(146)125-70(43-130)93(153)121-67(35-75(135)136)89(149)114-58(21-15-16-24-98)83(143)118-63(31-54-37-103-44-109-54)82(142)107-40-73(133)113-61(29-49(6)7)91(151)127-78(52(10)131)96(156)157/h12-14,19-20,37-39,44-52,57-71,77-78,129-131H,11,15-18,21-36,40-43,98-99H2,1-10H3,(H2,100,132)(H,103,109)(H,104,110)(H,105,111)(H,107,142)(H,108,141)(H,112,145)(H,113,133)(H,114,149)(H,115,147)(H,116,140)(H,117,152)(H,118,143)(H,119,148)(H,120,150)(H,121,153)(H,122,154)(H,123,155)(H,124,144)(H,125,146)(H,126,139)(H,127,151)(H,135,136)(H,137,138)(H,156,157)(H4,101,102,106)/t50-,51-,52+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,77-,78-/m0/s1"	""	""	""
"6140"	"galanin(1-10)"	""	"Peptide"	""	""	""	""	"178102761"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6084"	"galanin(1-11)"	""	"Peptide"	""	""	""	""	"178102705"	"155817473"	""	""	""	""	""	""	""	""	""	"AR-M1717"	"CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)O"	"WVBIAJKQIUYYOO-HOBSFDBDSA-N"	"InChI=1S/C56H83N13O16/c1-27(2)17-37(50(78)67-42(56(84)85)19-29(5)6)64-51(79)39(20-32-13-15-34(72)16-14-32)63-46(75)25-60-48(76)30(7)61-54(82)43(26-70)68-52(80)41(22-44(58)73)65-49(77)38(18-28(3)4)66-55(83)47(31(8)71)69-53(81)40(62-45(74)23-57)21-33-24-59-36-12-10-9-11-35(33)36/h9-16,24,27-31,37-43,47,59,70-72H,17-23,25-26,57H2,1-8H3,(H2,58,73)(H,60,76)(H,61,82)(H,62,74)(H,63,75)(H,64,79)(H,65,77)(H,66,83)(H,67,78)(H,68,80)(H,69,81)(H,84,85)/t30-,31+,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1"	""	""	""
"5356"	"galanin-(1-11)"	""	"Peptide"	""	""	""	""	"178102018"	"155817473"	""	""	""	""	""	""	""	""	""	"galanin (1-11)"	"CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)O"	"WVBIAJKQIUYYOO-HOBSFDBDSA-N"	"InChI=1S/C56H83N13O16/c1-27(2)17-37(50(78)67-42(56(84)85)19-29(5)6)64-51(79)39(20-32-13-15-34(72)16-14-32)63-46(75)25-60-48(76)30(7)61-54(82)43(26-70)68-52(80)41(22-44(58)73)65-49(77)38(18-28(3)4)66-55(83)47(31(8)71)69-53(81)40(62-45(74)23-57)21-33-24-59-36-12-10-9-11-35(33)36/h9-16,24,27-31,37-43,47,59,70-72H,17-23,25-26,57H2,1-8H3,(H2,58,73)(H,60,76)(H,61,82)(H,62,74)(H,63,75)(H,64,79)(H,65,77)(H,66,83)(H,67,78)(H,68,80)(H,69,81)(H,84,85)/t30-,31+,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1"	""	""	""
"6141"	"galanin(1-12)"	""	"Peptide"	""	""	""	""	"178102762"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6085"	"galanin(1-13)amide"	""	"Peptide"	""	""	""	""	"178102706"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6086"	"galanin(1-15)"	""	"Peptide"	""	""	""	""	"178102707"	"16131409"	""	""	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O"	"LOXLDVDBPRBBLT-GDRYISODSA-N"	"InChI=1S/C72H105N19O20/c1-35(2)21-47(62(100)78-32-59(98)91-20-12-15-55(91)70(108)87-52(26-43-30-75-34-79-43)63(101)81-39(8)72(110)111)84-64(102)48(22-36(3)4)85-66(104)50(24-41-16-18-44(94)19-17-41)83-58(97)31-77-61(99)38(7)80-69(107)54(33-92)89-67(105)53(27-56(74)95)86-65(103)49(23-37(5)6)88-71(109)60(40(9)93)90-68(106)51(82-57(96)28-73)25-42-29-76-46-14-11-10-13-45(42)46/h10-11,13-14,16-19,29-30,34-40,47-55,60,76,92-94H,12,15,20-28,31-33,73H2,1-9H3,(H2,74,95)(H,75,79)(H,77,99)(H,78,100)(H,80,107)(H,81,101)(H,82,96)(H,83,97)(H,84,102)(H,85,104)(H,86,103)(H,87,108)(H,88,109)(H,89,105)(H,90,106)(H,110,111)/t38-,39-,40+,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-/m0/s1"	""	""	""
"6087"	"galanin(1-16) (rat/mouse/pig)"	""	"Peptide"	""	""	""	""	"178102708"	"16133822"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)O"	"FHTSPMGFAZMZJT-GDGJPEIESA-N"	"InChI=1S/C78H116N20O21/c1-12-41(8)64(78(118)119)96-67(107)43(10)87-69(109)56(29-47-33-81-37-85-47)93-76(116)59-18-15-23-98(59)63(105)35-84-68(108)51(24-38(2)3)90-70(110)52(25-39(4)5)91-72(112)54(27-45-19-21-48(101)22-20-45)89-62(104)34-83-66(106)42(9)86-75(115)58(36-99)95-73(113)57(30-60(80)102)92-71(111)53(26-40(6)7)94-77(117)65(44(11)100)97-74(114)55(88-61(103)31-79)28-46-32-82-50-17-14-13-16-49(46)50/h13-14,16-17,19-22,32-33,37-44,51-59,64-65,82,99-101H,12,15,18,23-31,34-36,79H2,1-11H3,(H2,80,102)(H,81,85)(H,83,106)(H,84,108)(H,86,115)(H,87,109)(H,88,103)(H,89,104)(H,90,110)(H,91,112)(H,92,111)(H,93,116)(H,94,117)(H,95,113)(H,96,107)(H,97,114)(H,118,119)/t41-,42-,43-,44+,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-,65-/m0/s1"	""	""	""
"6088"	"galanin(1-19) (human)"	""	"Peptide"	""	""	""	""	"178102709"	"90469849"	""	""	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(C)C"	"UKPCKEWJIIKMHQ-WNXXINOUSA-N"	"InChI=1S/C89H130N26O25/c1-42(2)23-56(77(127)98-38-72(124)115-22-14-17-66(115)86(136)109-61(28-51-34-93-40-99-51)78(128)102-47(10)76(126)113-73(45(7)8)87(137)97-37-71(123)105-62(30-67(91)119)82(132)111-64(89(139)140)29-52-35-94-41-100-52)106-79(129)57(24-43(3)4)107-81(131)59(26-49-18-20-53(118)21-19-49)104-70(122)36-96-75(125)46(9)101-85(135)65(39-116)112-83(133)63(31-68(92)120)108-80(130)58(25-44(5)6)110-88(138)74(48(11)117)114-84(134)60(103-69(121)32-90)27-50-33-95-55-16-13-12-15-54(50)55/h12-13,15-16,18-21,33-35,40-48,56-66,73-74,95,116-118H,14,17,22-32,36-39,90H2,1-11H3,(H2,91,119)(H2,92,120)(H,93,99)(H,94,100)(H,96,125)(H,97,137)(H,98,127)(H,101,135)(H,102,128)(H,103,121)(H,104,122)(H,105,123)(H,106,129)(H,107,131)(H,108,130)(H,109,136)(H,110,138)(H,111,132)(H,112,133)(H,113,126)(H,114,134)(H,139,140)/t46-,47-,48+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,73-,74-/m0/s1"	""	""	""
"6139"	"galanin(1-19) (rat/mouse)"	""	"Peptide"	""	""	""	""	"178102760"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6137"	"galanin(1-20)  (human)"	""	"Peptide"	""	""	""	""	"178102758"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5357"	"galanin(2-11)"	""	"Peptide"	""	""	""	""	"178102019"	"155817474"	""	""	""	""	""	""	""	""	""	"AR-M1896"	"CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)NCC(=O)O"	"MUEGHULZMXFVFL-ZHRZWFTASA-N"	"InChI=1S/C56H83N13O16/c1-27(2)17-38(50(79)61-25-46(75)76)64-51(80)39(18-28(3)4)65-53(82)41(20-32-13-15-34(72)16-14-32)63-45(74)24-60-48(77)30(7)62-55(84)43(26-70)68-54(83)42(22-44(58)73)66-52(81)40(19-29(5)6)67-56(85)47(31(8)71)69-49(78)36(57)21-33-23-59-37-12-10-9-11-35(33)37/h9-16,23,27-31,36,38-43,47,59,70-72H,17-22,24-26,57H2,1-8H3,(H2,58,73)(H,60,77)(H,61,79)(H,62,84)(H,63,74)(H,64,80)(H,65,82)(H,66,81)(H,67,85)(H,68,83)(H,69,78)(H,75,76)/t30-,31+,36-,38-,39-,40-,41-,42-,43-,47-/m0/s1"	""	""	""
"6130"	"galanin(2-29) (pig)"	""	"Peptide"	""	""	""	""	"178102751"	"155817487"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O"	"GGBMOXFFZWACOW-QTRPWDSUSA-N"	"InChI=1S/C144H209N41O40/c1-15-74(10)117(183-120(201)76(12)163-127(208)100(51-83-59-151-67-159-83)178-140(221)109-31-24-42-185(109)114(195)64-158-122(203)93(43-70(2)3)169-128(209)95(45-72(6)7)170-130(211)98(49-81-34-38-87(190)39-35-81)166-112(193)62-156-119(200)75(11)162-138(219)107(65-186)182-135(216)104(55-111(148)192)175-129(210)96(46-73(8)9)179-142(223)118(78(14)188)184-121(202)89(146)50-82-58-155-90-28-20-19-27-88(82)90)141(222)180-106(57-116(198)199)137(218)176-103(54-110(147)191)134(215)174-101(52-84-60-152-68-160-84)132(213)168-92(30-23-41-154-144(149)150)125(206)181-108(66-187)139(220)172-99(47-79-25-17-16-18-26-79)131(212)173-102(53-85-61-153-69-161-85)133(214)177-105(56-115(196)197)136(217)167-91(29-21-22-40-145)124(205)171-97(48-80-32-36-86(189)37-33-80)123(204)157-63-113(194)165-94(44-71(4)5)126(207)164-77(13)143(224)225/h16-20,25-28,32-39,58-61,67-78,89,91-109,117-118,155,186-190H,15,21-24,29-31,40-57,62-66,145-146H2,1-14H3,(H2,147,191)(H2,148,192)(H,151,159)(H,152,160)(H,153,161)(H,156,200)(H,157,204)(H,158,203)(H,162,219)(H,163,208)(H,164,207)(H,165,194)(H,166,193)(H,167,217)(H,168,213)(H,169,209)(H,170,211)(H,171,205)(H,172,220)(H,173,212)(H,174,215)(H,175,210)(H,176,218)(H,177,214)(H,178,221)(H,179,223)(H,180,222)(H,181,206)(H,182,216)(H,183,201)(H,184,202)(H,196,197)(H,198,199)(H,224,225)(H4,149,150,154)/t74-,75-,76-,77-,78+,89-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,117-,118-/m0/s1"	""	""	""
"3876"	"galanin(2-29) (rat/mouse)"	""	"Peptide"	""	""	""	""	"178100712"	"155817465"	""	""	""	""	""	""	""	""	""	"galanin (2-29)"	"CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O"	"ZXUSESRUZIGRGN-UGPLCUGJSA-N"	"InChI=1S/C134H202N40O40/c1-63(2)38-83(159-118(198)85(40-65(5)6)160-120(200)87(43-73-31-33-77(180)34-32-73)155-102(184)54-146-110(190)68(11)152-127(207)95(58-175)169-124(204)93(49-101(139)183)164-119(199)86(41-66(7)8)167-132(212)108(70(13)178)172-112(192)79(136)44-74-51-145-80-27-19-18-26-78(74)80)113(193)149-57-105(187)174-37-23-30-98(174)130(210)166-89(45-75-52-142-61-150-75)117(197)153-69(12)111(191)171-107(67(9)10)131(211)148-56-104(186)156-92(48-100(138)182)123(203)162-90(46-76-53-143-62-151-76)122(202)158-82(29-22-36-144-134(140)141)116(196)168-96(59-176)128(208)161-88(42-72-24-16-15-17-25-72)121(201)170-97(60-177)129(209)165-94(50-106(188)189)125(205)157-81(28-20-21-35-135)115(195)163-91(47-99(137)181)114(194)147-55-103(185)154-84(39-64(3)4)126(206)173-109(71(14)179)133(213)214/h15-19,24-27,31-34,51-53,61-71,79,81-98,107-109,145,175-180H,20-23,28-30,35-50,54-60,135-136H2,1-14H3,(H2,137,181)(H2,138,182)(H2,139,183)(H,142,150)(H,143,151)(H,146,190)(H,147,194)(H,148,211)(H,149,193)(H,152,207)(H,153,197)(H,154,185)(H,155,184)(H,156,186)(H,157,205)(H,158,202)(H,159,198)(H,160,200)(H,161,208)(H,162,203)(H,163,195)(H,164,199)(H,165,209)(H,166,210)(H,167,212)(H,168,196)(H,169,204)(H,170,201)(H,171,191)(H,172,192)(H,173,206)(H,188,189)(H,213,214)(H4,140,141,144)/t68-,69-,70+,71+,79-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,107-,108-,109-/m0/s1"	""	""	""
"6090"	"galanin(2-30) (human)"	""	"Peptide"	""	""	""	""	"178102711"	"155817445"	""	""	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O"	"CBSXZYWGVAQSHI-RUKUCZSXSA-N"	"InChI=1S/C139H210N42O43/c1-65(2)38-84(165-121(206)86(40-67(5)6)166-123(208)88(43-75-31-33-79(188)34-32-75)161-106(193)55-151-114(199)70(11)157-131(216)97(59-182)175-127(212)95(49-104(144)191)170-122(207)87(41-68(7)8)173-136(221)112(72(13)186)180-130(215)90(159-105(192)51-141)44-76-52-150-81-27-19-18-26-80(76)81)116(201)154-58-109(196)181-37-23-30-101(181)134(219)172-91(45-77-53-147-63-155-77)120(205)158-71(12)115(200)178-111(69(9)10)135(220)153-57-108(195)162-94(48-103(143)190)126(211)168-92(46-78-54-148-64-156-78)125(210)164-83(29-22-36-149-139(145)146)119(204)174-98(60-183)132(217)167-89(42-74-24-16-15-17-25-74)124(209)176-99(61-184)133(218)171-96(50-110(197)198)128(213)163-82(28-20-21-35-140)118(203)169-93(47-102(142)189)117(202)152-56-107(194)160-85(39-66(3)4)129(214)179-113(73(14)187)137(222)177-100(62-185)138(223)224/h15-19,24-27,31-34,52-54,63-73,82-101,111-113,150,182-188H,20-23,28-30,35-51,55-62,140-141H2,1-14H3,(H2,142,189)(H2,143,190)(H2,144,191)(H,147,155)(H,148,156)(H,151,199)(H,152,202)(H,153,220)(H,154,201)(H,157,216)(H,158,205)(H,159,192)(H,160,194)(H,161,193)(H,162,195)(H,163,213)(H,164,210)(H,165,206)(H,166,208)(H,167,217)(H,168,211)(H,169,203)(H,170,207)(H,171,218)(H,172,219)(H,173,221)(H,174,204)(H,175,212)(H,176,209)(H,177,222)(H,178,200)(H,179,214)(H,180,215)(H,197,198)(H,223,224)(H4,145,146,149)/t70-,71-,72+,73+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,111-,112-,113-/m0/s1"	""	""	""
"6091"	"galanin(3-29) (pig)"	""	"Peptide"	""	""	""	""	"178102712"	"155817480"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O"	"LDEAEHIIHOWDLI-BQZNQBJUSA-N"	"InChI=1S/C133H199N39O39/c1-15-68(10)108(171-110(188)70(12)151-116(194)90(46-76-53-140-61-147-76)166-129(207)99-27-22-38-172(99)104(182)58-146-111(189)83(39-64(2)3)157-117(195)85(41-66(6)7)158-119(197)88(45-75-30-34-80(177)35-31-75)154-102(180)56-144-109(187)69(11)150-127(205)97(59-173)170-124(202)94(50-101(136)179)163-118(196)86(42-67(8)9)167-130(208)107(137)72(14)175)131(209)168-96(52-106(185)186)126(204)164-93(49-100(135)178)123(201)162-91(47-77-54-141-62-148-77)121(199)156-82(26-21-37-143-133(138)139)114(192)169-98(60-174)128(206)160-89(43-73-23-17-16-18-24-73)120(198)161-92(48-78-55-142-63-149-78)122(200)165-95(51-105(183)184)125(203)155-81(25-19-20-36-134)113(191)159-87(44-74-28-32-79(176)33-29-74)112(190)145-57-103(181)153-84(40-65(4)5)115(193)152-71(13)132(210)211/h16-18,23-24,28-35,53-55,61-72,81-99,107-108,173-177H,15,19-22,25-27,36-52,56-60,134,137H2,1-14H3,(H2,135,178)(H2,136,179)(H,140,147)(H,141,148)(H,142,149)(H,144,187)(H,145,190)(H,146,189)(H,150,205)(H,151,194)(H,152,193)(H,153,181)(H,154,180)(H,155,203)(H,156,199)(H,157,195)(H,158,197)(H,159,191)(H,160,206)(H,161,198)(H,162,201)(H,163,196)(H,164,204)(H,165,200)(H,166,207)(H,167,208)(H,168,209)(H,169,192)(H,170,202)(H,171,188)(H,183,184)(H,185,186)(H,210,211)(H4,138,139,143)/t68-,69-,70-,71-,72+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,107-,108-/m0/s1"	""	""	""
"6092"	"galanin(3-29) (rat/mouse)"	""	"Peptide"	""	""	""	""	"178102713"	"155817481"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O"	"OEYNEKWXIPNQHZ-VFYYSKAESA-N"	"InChI=1S/C128H197N39O40/c1-15-64(10)102(165-105(184)66(12)146-110(189)84(42-72-49-136-58-143-72)159-124(203)93-27-22-34-167(93)98(178)53-141-106(185)77(35-60(2)3)151-111(190)79(37-62(6)7)152-113(192)81(40-70-28-30-74(173)31-29-70)148-96(176)51-139-104(183)65(11)145-121(200)90(54-168)163-117(196)87(45-95(131)175)156-112(191)80(38-63(8)9)160-125(204)101(132)67(13)171)126(205)161-89(47-100(181)182)119(198)157-86(44-94(130)174)116(195)155-85(43-73-50-137-59-144-73)115(194)150-76(26-21-33-138-128(133)134)109(188)162-91(55-169)122(201)153-82(39-69-23-17-16-18-24-69)114(193)164-92(56-170)123(202)158-88(46-99(179)180)118(197)149-75(25-19-20-32-129)108(187)154-83(41-71-48-135-57-142-71)107(186)140-52-97(177)147-78(36-61(4)5)120(199)166-103(68(14)172)127(206)207/h16-18,23-24,28-31,48-50,57-68,75-93,101-103,168-173H,15,19-22,25-27,32-47,51-56,129,132H2,1-14H3,(H2,130,174)(H2,131,175)(H,135,142)(H,136,143)(H,137,144)(H,139,183)(H,140,186)(H,141,185)(H,145,200)(H,146,189)(H,147,177)(H,148,176)(H,149,197)(H,150,194)(H,151,190)(H,152,192)(H,153,201)(H,154,187)(H,155,195)(H,156,191)(H,157,198)(H,158,202)(H,159,203)(H,160,204)(H,161,205)(H,162,188)(H,163,196)(H,164,193)(H,165,184)(H,166,199)(H,179,180)(H,181,182)(H,206,207)(H4,133,134,138)/t64-,65-,66-,67+,68+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,101-,102-,103-/m0/s1"	""	""	""
"6138"	"galanin(3-30) (human)"	""	"Peptide"	""	""	""	""	"178102759"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5359"	"galanin(5-29) (pig)"	""	"Peptide"	""	""	""	""	"178102021"	"155817475"	""	""	""	""	""	""	""	""	""	"galanin (5-29) (pig)"	"CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O"	"FIXINIMRYLWICD-KAQLENNSSA-N"	"InChI=1S/C123H181N37O36/c1-12-63(8)100(159-102(175)65(10)141-109(182)84(42-70-49-130-57-137-70)155-120(193)92-24-19-35-160(92)97(169)54-136-104(177)78(36-60(2)3)147-110(183)80(38-62(6)7)148-111(184)82(41-69-27-31-74(164)32-28-69)144-95(167)52-134-101(174)64(9)140-118(191)90(55-161)157-103(176)75(125)45-93(126)165)121(194)156-89(48-99(172)173)117(190)153-87(46-94(127)166)115(188)152-85(43-71-50-131-58-138-71)113(186)146-77(23-18-34-133-123(128)129)107(180)158-91(56-162)119(192)150-83(39-67-20-14-13-15-21-67)112(185)151-86(44-72-51-132-59-139-72)114(187)154-88(47-98(170)171)116(189)145-76(22-16-17-33-124)106(179)149-81(40-68-25-29-73(163)30-26-68)105(178)135-53-96(168)143-79(37-61(4)5)108(181)142-66(11)122(195)196/h13-15,20-21,25-32,49-51,57-66,75-92,100,161-164H,12,16-19,22-24,33-48,52-56,124-125H2,1-11H3,(H2,126,165)(H2,127,166)(H,130,137)(H,131,138)(H,132,139)(H,134,174)(H,135,178)(H,136,177)(H,140,191)(H,141,182)(H,142,181)(H,143,168)(H,144,167)(H,145,189)(H,146,186)(H,147,183)(H,148,184)(H,149,179)(H,150,192)(H,151,185)(H,152,188)(H,153,190)(H,154,187)(H,155,193)(H,156,194)(H,157,176)(H,158,180)(H,159,175)(H,170,171)(H,172,173)(H,195,196)(H4,128,129,133)/t63-,64-,65-,66-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,100-/m0/s1"	""	""	""
"6134"	"galanin(5-29) (rat/mouse)"	""	"Peptide"	""	""	""	""	"178102755"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6083"	"galanin(7-29) (pig)"	""	"Peptide"	""	""	""	""	"178102704"	"155817479"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O"	"AMJDZAOLXJXHIM-DGFPZSQGSA-N"	"InChI=1S/C116H170N34O32/c1-12-61(8)95(149-97(163)63(10)132-103(169)81(42-68-48-122-55-129-68)146-113(179)88-24-19-35-150(88)92(157)53-128-98(164)75(36-58(2)3)138-104(170)77(38-60(6)7)139-105(171)79(41-67-27-31-72(153)32-28-67)135-90(155)51-126-96(162)62(9)118)114(180)147-86(47-94(160)161)111(177)144-84(45-89(119)154)109(175)143-82(43-69-49-123-56-130-69)107(173)137-74(23-18-34-125-116(120)121)101(167)148-87(54-151)112(178)141-80(39-65-20-14-13-15-21-65)106(172)142-83(44-70-50-124-57-131-70)108(174)145-85(46-93(158)159)110(176)136-73(22-16-17-33-117)100(166)140-78(40-66-25-29-71(152)30-26-66)99(165)127-52-91(156)134-76(37-59(4)5)102(168)133-64(11)115(181)182/h13-15,20-21,25-32,48-50,55-64,73-88,95,151-153H,12,16-19,22-24,33-47,51-54,117-118H2,1-11H3,(H2,119,154)(H,122,129)(H,123,130)(H,124,131)(H,126,162)(H,127,165)(H,128,164)(H,132,169)(H,133,168)(H,134,156)(H,135,155)(H,136,176)(H,137,173)(H,138,170)(H,139,171)(H,140,166)(H,141,178)(H,142,172)(H,143,175)(H,144,177)(H,145,174)(H,146,179)(H,147,180)(H,148,167)(H,149,163)(H,158,159)(H,160,161)(H,181,182)(H4,120,121,125)/t61-,62-,63-,64-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,95-/m0/s1"	""	""	""
"6136"	"galanin(9-25) (rat/mouse)"	""	"Peptide"	""	""	""	""	"178102757"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6135"	"galanin(9-29) (rat/mouse)"	""	"Peptide"	""	""	""	""	"178102756"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6095"	"galanin(D-Trp<sup>2</sup>) (pig)"	""	"Peptide"	""	""	""	""	"178102716"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3594"	"galanin-like peptide"	"Human"	"Peptide"	""	""	""	""	"135651754"	"0"	"Q9UBC7"	"ENSG00000197487"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3596"	"galanin-like peptide"	"Rat"	"Peptide"	""	""	""	""	"135651752"	"0"	"Q9QXQ6"	"ENSRNOG00000022129"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6120"	"galanin-like peptide"	"Pig"	"Peptide"	""	""	""	""	"178102741"	"0"	"Q9TT95"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3595"	"galanin-like peptide"	"Mouse"	"Peptide"	""	""	""	""	"135651753"	"0"	"Q810H5"	"ENSMUSG00000034660"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6693"	"galantamine"	""	"Synthetic organic"	"yes"	""	""	""	"178103304"	"9651"	""	""	"CHEMBL659"	""	""	""	""	"(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0<sup>1</sup>,<sup>12</sup>.0<sup>6</sup>,<sup>17</sup>]heptadeca-6(17),7,9,15-tetraen-14-ol"	"galantamine"	"galanthamine|Razadyne&reg;"	"COc1ccc2c3c1O[C@@H]1[C@@]3(CCN(C2)C)C=C[C@@H](C1)O"	"ASUTZQLVASHGKV-JDFRZJQESA-N"	"InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1"	""	""	""
"9848"	"Galapagos MAPKAPK5 inhibitor D"	""	"Synthetic organic"	""	""	""	""	"363894142"	"57589985"	""	""	""	""	""	""	""	"4-[8-[4-(4-tert-butylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide"	""	"compound 183 [WO2007138072A2]"	"NC(=O)c1occ(c1)c1cnc(c2n1ncn2)Nc1ccc(cc1)N1CCN(CC1)C(C)(C)C"	"DLGZLIXYVSQGOX-UHFFFAOYSA-N"	"InChI=1S/C24H28N8O2/c1-24(2,3)31-10-8-30(9-11-31)18-6-4-17(5-7-18)29-22-23-27-15-28-32(23)19(13-26-22)16-12-20(21(25)33)34-14-16/h4-7,12-15H,8-11H2,1-3H3,(H2,25,33)(H,26,29)"	"yes"	""	""
"6105"	"Gal-B2"	""	"Peptide"	""	""	""	""	"178102726"	"0"	""	""	""	""	""	""	""	""	""	"NAX 5055"	""	""	""	""	""	""
"6112"	"Gal-B2-C<sub>10</sub>"	""	"Peptide"	""	""	""	""	"178102733"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6113"	"Gal-B2-C<sub>12</sub>"	""	"Peptide"	""	""	""	""	"178102734"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6114"	"Gal-B2-C<sub>14</sub>"	""	"Peptide"	""	""	""	""	"178102735"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6115"	"Gal-B2-C<sub>18</sub>"	""	"Peptide"	""	""	""	""	"178102736"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6111"	"Gal-B2-C<sub>8</sub>"	""	"Peptide"	""	""	""	""	"178102732"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6106"	"Gal-B2-dPEG<sub>24</sub>"	""	"Peptide"	""	""	""	""	"178102727"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6116"	"Gal-B2-MPEG<sub>4</sub>"	""	"Peptide"	""	""	""	""	"178102737"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6107"	"Gal-B5"	""	"Peptide"	""	""	""	""	"178102728"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8967"	"galcanezumab"	""	"Antibody"	"yes"	""	""	""	"310264747"	"0"	""	""	""	""	""	""	""	""	"galcanezumab"	"clone III|Emgality&reg;|galcanezumab-gnlm|LY-2951742|LY2951742"	""	""	""	"yes"	""	""
"6603"	"galectin-1"	"Human"	"Peptide"	""	""	""	""	"178103216"	"0"	"P09382"	"ENSG00000100097"	""	""	""	""	""	""	""	"GBP"	""	""	""	"yes"	""	""
"6619"	"galectin-3"	"Human"	"Peptide"	""	""	""	""	"178103232"	"0"	"P17931"	"ENSG00000131981"	""	""	""	""	""	""	""	"galectin 3|GALIG|LGALS2|MAC-2"	""	""	""	"yes"	""	""
"6615"	"galectin-3 binding protein"	"Human"	"Peptide"	""	""	""	""	"178103228"	"0"	"Q08380"	"ENSG00000108679"	""	""	""	""	""	""	""	"L3 antigen|Mac-2-binding protein|MAC-2-BP"	""	""	""	"yes"	""	""
"9594"	"galectin 9"	"Human"	"Peptide"	""	""	""	""	"340590225"	"0"	"O00182"	"ENSG00000168961"	""	""	""	""	""	""	""	"Ecalectin|Gal-9|Tumor antigen HOM-HD-21"	""	""	""	"yes"	""	""
"11759"	"galegenimab"	""	"Antibody"	""	""	""	""	"458923794"	"0"	""	""	""	""	""	""	""	""	""	"15H6v4.D221|FHTR2163|RG-6147|RG6147|RO-7171009|RO7171009"	""	""	""	""	""	""
"8638"	"galeterone"	""	"Synthetic organic"	""	""	""	""	"252166838"	"11188409"	""	""	"CHEMBL2105738"	""	""	""	""	"(3S,8R,9S,10R,13S,14S)-17-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol"	""	"TOK-001|VN/124-1"	"O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2n2cnc3c2cccc3)C)C1)C"	"PAFKTGFSEFKSQG-PAASFTFBSA-N"	"InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1"	""	""	""
"11920"	"galidesivir"	""	"Synthetic organic"	""	""	""	""	"461663475"	"10445549"	""	""	"CHEMBL1236524"	""	""	""	""	"(2S,3S,4R,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diol"	"galidesivir"	"BCX-4430|BCX4430|Immucillin-A"	"c1c(c2c([nH]1)c(ncn2)N)[C@H]1[C@@H]([C@@H]([C@H](N1)CO)O)O"	"AMFDITJFBUXZQN-KUBHLMPHSA-N"	"InChI=1S/C11H15N5O3/c12-11-8-6(14-3-15-11)4(1-13-8)7-10(19)9(18)5(2-17)16-7/h1,3,5,7,9-10,13,16-19H,2H2,(H2,12,14,15)/t5-,7+,9-,10+/m1/s1"	""	""	""
"6110"	"Gal-(K)4"	""	"Peptide"	""	""	""	""	"178102731"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"356"	"gallamine"	""	"Synthetic organic"	"yes"	""	""	""	"135650296"	"3450"	""	""	"CHEMBL360055"	""	""	""	""	"2-[2,6-bis(2-triethylazaniumylethoxy)phenoxy]ethyl-triethylazanium"	"gallamine triethiodide"	"Flaxedil&reg;"	"CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC"	"OZLPUNFFCJDMJD-UHFFFAOYSA-N"	"InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3"	""	""	""
"5549"	"gallic acid"	""	"Natural product"	""	""	""	""	"178102191"	"370"	""	""	"CHEMBL288114"	""	""	""	""	"3,4,5-Trihydroxybenzoic acid"	""	"pyrogallol-5-carboxylic acid"	"OC(=O)c1cc(O)c(c(c1)O)O"	"LNTHITQWFMADLM-UHFFFAOYSA-N"	"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)"	""	""	""
"6119"	"galmic"	""	"Synthetic organic"	""	""	""	""	"178102740"	"24748735"	""	""	"CHEMBL1187471"	""	""	""	""	""	""	""	"NCCCC[C@@H](C(=O)OC)NC(=O)[C@]1(C)NC(=O)c2nc(oc2C)[C@@](C)(NC(=O)c2nc([C@](NC(=O)c3nc1oc3C)(C)C(=O)NCC1CCCCC1)oc2C)C(=O)NC1c2ccccc2c2c1cccc2"	"DOHGPSDHRIKTDB-KBAHWNQNSA-N"	"InChI=1S/C51H60N10O11/c1-26-36-41(64)61-51(6,45(68)55-38-32-21-13-11-19-30(32)31-20-12-14-22-33(31)38)48-58-37(28(3)72-48)40(63)60-50(5,44(67)54-34(42(65)69-7)23-15-16-24-52)47-57-35(27(2)71-47)39(62)59-49(4,46(56-36)70-26)43(66)53-25-29-17-9-8-10-18-29/h11-14,19-22,29,34,38H,8-10,15-18,23-25,52H2,1-7H3,(H,53,66)(H,54,67)(H,55,68)(H,59,62)(H,60,63)(H,61,64)/t34-,49-,50-,51-/m0/s1"	""	""	""
"6118"	"galnon"	""	"Synthetic organic"	""	""	""	""	"178102739"	"5311268"	""	""	"CHEMBL592414"	""	""	""	""	"9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-6-amino-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxohexan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate"	""	""	"NCCCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CC1CCCCC1"	"IKNOZZKXIDSTRN-PXLJZGITSA-N"	"InChI=1S/C40H46N4O6/c1-25-21-37(45)50-36-23-27(18-19-28(25)36)42-38(46)34(17-9-10-20-41)43-39(47)35(22-26-11-3-2-4-12-26)44-40(48)49-24-33-31-15-7-5-13-29(31)30-14-6-8-16-32(30)33/h5-8,13-16,18-19,21,23,26,33-35H,2-4,9-12,17,20,22,24,41H2,1H3,(H,42,46)(H,43,47)(H,44,48)/t34-,35-/m0/s1"	""	""	""
"6121"	"GALP(1-32) (human)"	""	"Peptide"	""	""	""	""	"178102742"	"155817485"	""	""	""	""	""	""	""	""	""	""	"CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O"	"QECBZQJTOLCHOO-NJXJWFHUSA-N"	"InChI=1S/C149H230N46O43S/c1-71(2)47-93(127(217)168-67-117(207)193-43-22-29-106(193)142(232)191-120(76(11)12)143(233)186-95(49-73(5)6)131(221)184-100(55-84-61-159-70-170-84)135(225)188-103(51-75(9)10)146(236)195-45-24-31-108(195)141(231)180-91(37-39-110(152)200)128(218)179-92(40-46-239-17)126(216)167-66-116(206)176-102(57-118(208)209)137(227)178-90(36-38-109(151)199)129(219)189-104(147(237)238)58-119(210)211)182-130(220)94(48-72(3)4)183-133(223)97(52-81-32-34-85(198)35-33-81)174-115(205)64-164-122(212)78(14)171-139(229)105(68-196)190-136(226)101(56-111(153)201)185-132(222)96(50-74(7)8)187-144(234)121(80(16)197)192-138(228)98(53-82-59-162-87-26-19-18-25-86(82)87)175-113(203)63-163-112(202)62-165-124(214)88(27-20-41-160-148(154)155)173-114(204)65-166-125(215)89(28-21-42-161-149(156)157)177-134(224)99(54-83-60-158-69-169-83)181-123(213)79(15)172-140(230)107-30-23-44-194(107)145(235)77(13)150/h18-19,25-26,32-35,59-61,69-80,88-108,120-121,162,196-198H,20-24,27-31,36-58,62-68,150H2,1-17H3,(H2,151,199)(H2,152,200)(H2,153,201)(H,158,169)(H,159,170)(H,163,202)(H,164,212)(H,165,214)(H,166,215)(H,167,216)(H,168,217)(H,171,229)(H,172,230)(H,173,204)(H,174,205)(H,175,203)(H,176,206)(H,177,224)(H,178,227)(H,179,218)(H,180,231)(H,181,213)(H,182,220)(H,183,223)(H,184,221)(H,185,222)(H,186,233)(H,187,234)(H,188,225)(H,189,219)(H,190,226)(H,191,232)(H,192,228)(H,208,209)(H,210,211)(H,237,238)(H4,154,155,160)(H4,156,157,161)/t77-,78-,79-,80+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,120-,121-/m0/s1"	""	""	""
"6122"	"GALP(3-32) (human)"	""	"Peptide"	""	""	""	""	"178102743"	"134813891"	""	""	""	""	""	""	""	""	""	""	"CSCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)CCC(=O)N)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)Cc1nc[nH]c1)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)CC(C)C)CCC(=O)N"	"XKXOALDYCBSJGJ-VGPQRCSDSA-N"	"InChI=1S/C141H218N44O41S/c1-67(2)43-88(121(207)160-63-111(197)184-40-21-27-101(184)135(221)182-114(72(11)12)136(222)177-90(45-69(5)6)125(211)175-95(51-79-57-151-66-162-79)129(215)179-98(47-71(9)10)138(224)185-41-22-28-102(185)134(220)171-86(34-36-104(144)190)122(208)170-87(37-42-227-16)120(206)159-62-110(196)167-97(53-112(198)199)131(217)169-85(33-35-103(143)189)123(209)180-99(139(225)226)54-113(200)201)173-124(210)89(44-68(3)4)174-127(213)92(48-76-29-31-80(188)32-30-76)165-109(195)60-156-117(203)74(14)163-133(219)100(64-186)181-130(216)96(52-105(145)191)176-126(212)91(46-70(7)8)178-137(223)115(75(15)187)183-132(218)93(49-77-55-154-82-24-18-17-23-81(77)82)166-107(193)59-155-106(192)58-157-118(204)83(25-19-38-152-140(146)147)164-108(194)61-158-119(205)84(26-20-39-153-141(148)149)168-128(214)94(172-116(202)73(13)142)50-78-56-150-65-161-78/h17-18,23-24,29-32,55-57,65-75,83-102,114-115,154,186-188H,19-22,25-28,33-54,58-64,142H2,1-16H3,(H2,143,189)(H2,144,190)(H2,145,191)(H,150,161)(H,151,162)(H,155,192)(H,156,203)(H,157,204)(H,158,205)(H,159,206)(H,160,207)(H,163,219)(H,164,194)(H,165,195)(H,166,193)(H,167,196)(H,168,214)(H,169,217)(H,170,208)(H,171,220)(H,172,202)(H,173,210)(H,174,213)(H,175,211)(H,176,212)(H,177,222)(H,178,223)(H,179,215)(H,180,209)(H,181,216)(H,182,221)(H,183,218)(H,198,199)(H,200,201)(H,225,226)(H4,146,147,152)(H4,148,149,153)/t73-,74-,75+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,114-,115-/m0/s1"	""	""	""
"6096"	"galparan"	""	"Peptide"	""	""	""	""	"178102717"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6108"	"Gal-R2-dPEG<sub>24</sub>"	""	"Peptide"	""	""	""	""	"178102729"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6127"	"GalR3ant"	""	"Synthetic organic"	""	""	""	""	"178102748"	"9800980"	""	""	""	""	""	""	""	"3-(3,4-dichlorophenyl)imino-1-(6-methoxypyridin-3-yl)indol-2-one"	""	""	"COc1ccc(cn1)N1C(=O)/C(=N/c2ccc(c(c2)Cl)Cl)/c2c1cccc2"	"YZFBJQVMOLTGFZ-LYBHJNIJSA-N"	"InChI=1S/C20H13Cl2N3O2/c1-27-18-9-7-13(11-23-18)25-17-5-3-2-4-14(17)19(20(25)26)24-12-6-8-15(21)16(22)10-12/h2-11H,1H3/b24-19+"	""	""	""
"7797"	"galunisertib"	""	"Synthetic organic"	""	""	""	""	"223366128"	"10090485"	""	""	"CHEMBL2364611"	""	""	""	""	"4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl]quinoline-6-carboxamide"	"galunisertib"	"inhibitor 15d [PMID: 18314943]|LY-2157299|LY2157299"	"Cc1cccc(n1)c1nn2c(c1c1ccnc3c1cc(cc3)C(=O)N)CCC2"	"IVRXNBXKWIJUQB-UHFFFAOYSA-N"	"InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)"	""	""	""
"12167"	"gamcemetinib"	""	"Synthetic organic"	""	""	""	""	"472319289"	"118936948"	""	""	""	""	""	""	""	""	""	"CC-99677|CC99677"	"CCOCc1cnc(nc1Oc1nc2c(cc1)c1c(cc2)sc2c1NC[C@H](NC2=O)C)Cl"	"PYOQIOLRFIRRSO-LLVKDONJSA-N"	"InChI=1S/C22H20ClN5O3S/c1-3-30-10-12-9-25-22(23)28-21(12)31-16-7-4-13-14(27-16)5-6-15-17(13)18-19(32-15)20(29)26-11(2)8-24-18/h4-7,9,11,24H,3,8,10H2,1-2H3,(H,26,29)/t11-/m1/s1"	"yes"	""	""
"14455"	"gamgertamig"	""	"Antibody"	""	""	""	""	"528429776"	"0"	""	""	""	""	""	""	""	""	"gamgertamig"	"CM336|OM-336|OM336"	""	""	""	"yes"	""	""
"13688"	"gamithromycin"	""	"Synthetic organic"	""	""	""	""	"507750322"	"59364992"	""	""	"CHEMBL2107342"	""	""	""	""	"(2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-7-propyl-1-oxa-7-azacyclopentadecan-15-one"	"gamithromycin"	"ML-1709460|Zactran&reg; (veterinary)"	"CCCN1C[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]([C@](C[C@H]1C)(C)O)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)CC)(C)O)O)C"	"VWAMTBXLZPEDQO-UZSBJOJWSA-N"	"InChI=1S/C40H76N2O12/c1-15-17-42-21-22(3)33(44)40(11,48)29(16-2)52-36(46)26(7)32(53-30-20-39(10,49-14)34(45)27(8)51-30)25(6)35(38(9,47)19-23(42)4)54-37-31(43)28(41(12)13)18-24(5)50-37/h22-35,37,43-45,47-48H,15-21H2,1-14H3/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32-,33+,34-,35+,37-,38+,39+,40+/m0/s1"	""	""	"yes"
"5462"	"&gamma;-butyrolactone"	""	"Synthetic organic"	""	""	""	""	"178102112"	"7302"	""	""	"CHEMBL95681"	""	""	""	""	"oxolan-2-one"	""	"2-oxolanone|4-butanolide|gamma-butyrolactone"	"O=C1CCCO1"	"YEJRWHAVMIAJKC-UHFFFAOYSA-N"	"InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2"	""	""	""
"4711"	"&gamma;-hydroxybutyrate"	""	"Metabolite"	"yes"	""	""	""	"178101422"	"10413"	""	""	"CHEMBL1342"	""	""	""	""	"4-hydroxybutanoic acid"	""	"&gamma;-hydroxybutyric acid|Alcover&reg;|GHB|WY-3478|Xyrem&reg;"	"OCCCC(=O)O"	"SJZRECIVHVDYJC-UHFFFAOYSA-N"	"InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)"	""	""	""
"9504"	"&gamma;-iE-DAP"	""	"Peptide"	""	""	""	""	"329968443"	"45480617"	""	""	""	""	""	""	""	""	""	"&gamma;-D-glutamyl-<i>meso</i>-diaminopimelic acid|Gamma-D-Glu-mDAP|Gamma-d-glutamyl-meso-diaminopimelic acid|iE-DAP"	"O=C(N[C@@H](C(=O)O)CCC[C@@H](C(=O)O)N)CC[C@H](C(=O)O)N"	"QIFGMZZTJRULMA-XLPZGREQSA-N"	"InChI=1S/C12H21N3O7/c13-6(10(17)18)2-1-3-8(12(21)22)15-9(16)5-4-7(14)11(19)20/h6-8H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7+,8+/m0/s1"	""	""	""
"7689"	"&gamma;-KTx1.7"	""	"Peptide"	""	""	""	""	"223366024"	"0"	"P0C892"	""	""	""	""	""	""	""	""	"CeErg4|potassium channel toxin gamma-KTx 1.7"	""	""	""	""	""	""
"4710"	"&gamma;-linolenic acid"	""	"Metabolite"	""	""	""	""	"178101421"	"5280933"	""	""	"CHEMBL464982"	""	""	""	""	"(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid"	"gamolenic acid"	"C18:3,n-6|gamma-linolenic acid|GLA"	"CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O"	"VZCCETWTMQHEPK-QNEBEIHSSA-N"	"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-"	""	""	""
"1333"	"&gamma;-MSH"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651755"	"44134812"	"P01194|P01193|P01189"	"ENSG00000115138|ENSMUSG00000020660"	""	""	""	""	""	""	""	"&gamma;-melanocyte stimulating hormone|melanotropin gamma"	""	""	""	""	""	""
"13648"	"gamma-valerolactone"	""	"Natural product"	""	""	""	""	"504705467"	"7921"	""	""	"CHEMBL195593"	""	""	""	""	"5-methyloxolan-2-one"	""	"&gamma;-valerolactone|4-Valerolactone"	"CC1CCC(=O)O1"	"GAEKPEKOJKCEMS-UHFFFAOYSA-N"	"InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3"	""	""	""
"9946"	"ganaplacide"	""	"Synthetic organic"	""	""	""	""	"374883833"	"49856296"	""	""	"CHEMBL2058833"	""	""	""	""	"2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone"	"ganaplacide"	"GNF156|KAF156"	"NCC(=O)N1CCn2c(C1(C)C)nc(c2Nc1ccc(cc1)F)c1ccc(cc1)F"	"BUPRVECGWBHCQV-UHFFFAOYSA-N"	"InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3"	""	"yes"	""
"11942"	"ganaxolone"	""	"Synthetic organic"	"yes"	""	""	""	"461663497"	"6918305"	""	""	"CHEMBL1568698"	""	""	""	""	"1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone"	"ganaxolone"	"CCD-1042|CCD1042|Ztalmy&reg;"	"CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CC[C@@H]2[C@@]1(CC[C@@](C2)(C)O)C)C"	"PGTVWKLGGCQMBR-FLBATMFCSA-N"	"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20+,21-,22+/m0/s1"	""	""	""
"7909"	"gandotinib"	""	"Synthetic organic"	""	""	""	""	"249565592"	"46213929"	""	""	"CHEMBL2107823"	""	""	""	""	"3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine"	"gandotinib"	"LY-2784544|LY2784544"	"Clc1ccc(c(c1)F)Cc1c(C)nc2n1nc(Nc1n[nH]c(c1)C)cc2CN1CCOCC1"	"SQSZANZGUXWJEA-UHFFFAOYSA-N"	"InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)"	"yes"	""	""
"13309"	"ganetespib"	""	"Synthetic organic"	""	""	""	""	"496703279"	"135564985"	""	""	"CHEMBL2103879"	""	""	""	""	"3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1H-1,2,4-triazol-5-one"	"ganetespib"	"compound 8 [PMID: 23965125]|STA-9090|STA9090"	"CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)C)O)O"	"RVAQIUULWULRNW-UHFFFAOYSA-N"	"InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27)"	""	""	""
"12796"	"ganfeborole"	""	"Synthetic organic"	""	""	""	""	"483123344"	"133080621"	""	""	"CHEMBL4116378"	""	""	""	""	"2-[[(3S)-3-(aminomethyl)-4-chloro-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]ethanol"	"ganfeborole"	"GSK3036656|GSK656"	"O(CCO)C1=C2C([C@@H](CN)OB2O)=C(Cl)C=C1"	"DJUOWOXTPXUHDQ-MRVPVSSYSA-N"	"InChI=1S/C10H13BClNO4/c12-6-1-2-7(16-4-3-14)10-9(6)8(5-13)17-11(10)15/h1-2,8,14-15H,3-5,13H2/t8-/m1/s1"	""	""	"yes"
"11342"	"Ganglioside GD2"	""	"Synthetic organic"	""	""	""	""	"440816711"	"6450346"	""	""	""	""	""	""	""	"(2R,4R,5S,6S)-2-[3-[(2S,3S,4R,6S)-6-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-amino-6-carboxy-4-hydroxyoxan-2-yl]-2,3-dihydroxypropoxy]-5-amino-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid"	""	""	"CCCCCCCCCCCCC/C=C/C(C(NC(=O)CCCCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O[C@@]1(C[C@@H](O)[C@@H]([C@H](O1)C(C(CO[C@@]1(C[C@@H](O)[C@@H]([C@H](O1)C(C(CO)O)O)N)C(=O)O)O)O)N)C(=O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1NC(=O)C)O)O)O"	"FFILOTSTFMXQJC-QCFYAKGBSA-N"	"InChI=1S/C74H134N4O32/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-52(89)78-43(44(84)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)40-101-69-61(95)60(94)63(50(38-81)104-69)106-70-62(96)67(64(51(39-82)105-70)107-68-55(77-42(3)83)59(93)58(92)49(37-80)103-68)110-74(72(99)100)35-46(86)54(76)66(109-74)57(91)48(88)41-102-73(71(97)98)34-45(85)53(75)65(108-73)56(90)47(87)36-79/h30,32,43-51,53-70,79-82,84-88,90-96H,4-29,31,33-41,75-76H2,1-3H3,(H,77,83)(H,78,89)(H,97,98)(H,99,100)/b32-30+/t43?,44?,45-,46-,47?,48?,49-,50-,51-,53+,54+,55-,56?,57?,58+,59-,60-,61-,62-,63-,64+,65+,66+,67-,68+,69-,70+,73-,74+/m1/s1"	""	""	""
"3877"	"ganirelix"	""	"Peptide"	"yes"	""	""	""	"178100713"	"16130966"	""	""	""	""	""	""	""	""	"ganirelix"	"D 24598|D-24598|Orgalutran&reg;|RS 26306|RS-26306"	"CCNC(=NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCCC1C(=O)N[C@@H](C(=O)N)C)CCCCN=C(NCC)NCC)CC(C)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1)CO)Cc1ccc(cc1)O)NCC"	"GJNXBNATEDXMAK-RXXWGPEVSA-N"	"InChI=1S/C80H113ClN18O13/c1-9-84-79(85-10-2)88-38-17-15-24-60(70(104)94-62(41-49(5)6)71(105)93-61(25-16-18-39-89-80(86-11-3)87-12-4)78(112)99-40-20-26-68(99)77(111)90-50(7)69(82)103)92-73(107)64(44-53-30-35-59(102)36-31-53)97-76(110)67(48-100)98-75(109)66(46-55-21-19-37-83-47-55)96-74(108)65(43-52-28-33-58(81)34-29-52)95-72(106)63(91-51(8)101)45-54-27-32-56-22-13-14-23-57(56)42-54/h13-14,19,21-23,27-37,42,47,49-50,60-68,100,102H,9-12,15-18,20,24-26,38-41,43-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,107)(H,93,105)(H,94,104)(H,95,106)(H,96,108)(H,97,110)(H,98,109)(H2,84,85,88)(H2,86,87,89)/t50-,60-,61+,62+,63?,64-,65+,66+,67-,68?/m1/s1"	""	""	""
"5643"	"Ga-NODAGA-LM3"	""	"Peptide"	""	""	""	""	"178102271"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"13594"	"ganoderic acid D"	""	"Natural product"	""	""	""	""	"504705413"	"14109406"	""	""	"CHEMBL2205002"	""	""	""	""	"(6R)-6-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid"	""	"compound 12 [PMID: 24974349]"	"C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)O)C)C"	"YTVGSCZIHGRVAV-IYAQLQCNSA-N"	"InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,19+,21+,28+,29-,30+/m1/s1"	""	""	""
"13595"	"ganoderic acid F"	""	"Natural product"	""	""	""	""	"504705414"	"23247895"	""	""	"CHEMBL453981"	""	""	""	""	"(6R)-6-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid"	""	"compound 19 [PMID: 24974349]|ganoderate F"	"C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)OC(=O)C)C)C"	"BWCNWXLKMWWVBT-AIMUVTGPSA-N"	"InChI=1S/C32H42O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21,27H,9-14H2,1-8H3,(H,39,40)/t15-,16?,19-,21+,27-,30+,31+,32+/m1/s1"	""	""	""
"6933"	"gantenerumab"	""	"Antibody"	""	""	""	""	"178103515"	"0"	""	""	""	""	""	""	""	""	"gantenerumab"	"R-1450|RG-1450|Ro-4909832"	""	""	""	""	""	""
"13402"	"garadacimab"	""	"Antibody"	"yes"	""	""	""	"496703372"	"0"	""	""	""	""	""	""	""	""	"garadacimab"	"Andembry&reg;|CSL-312|CSL312|garadacimab-gxii"	""	""	""	""	""	""
"10734"	"garcinoic acid"	""	"Natural product"	""	""	""	""	"405067327"	"10455173"	""	""	""	""	""	""	""	"(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid"	""	"tocotrienoloic acid|trans-delta-tocotrienoloic acid"	"C/C(=C\CC[C@]1(C)CCc2c(O1)c(C)cc(c2)O)/CC/C=C(/CC/C=C(/C(=O)O)\C)\C"	"QOFWRHWADNWKSU-LRXIOGKNSA-N"	"InChI=1S/C27H38O4/c1-19(11-7-13-21(3)26(29)30)9-6-10-20(2)12-8-15-27(5)16-14-23-18-24(28)17-22(4)25(23)31-27/h9,12-13,17-18,28H,6-8,10-11,14-16H2,1-5H3,(H,29,30)/b19-9+,20-12+,21-13+/t27-/m1/s1"	""	""	""
"7001"	"garcinol"	""	"Natural product"	""	""	""	""	"178103580"	"174159"	""	""	""	""	""	""	""	"(1S,5R,7R)-3-[(3,4-dihydroxyphenyl)(hydroxy)methylidene]-6,6-dimethyl-1-[(2S)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-5,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione"	""	""	"CC(=CC[C@]12C(=O)C(=C(c3ccc(c(c3)O)O)O)C(=O)[C@@](C1=O)(C[C@@H](C(=C)C)CC=C(C)C)C[C@H](C2(C)C)CC=C(C)C)C"	"DTTONLKLWRTCAB-SMDXAGPFSA-N"	"InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-41H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28+,37+,38-/m0/s1"	""	""	""
"12402"	"garenoxacin"	""	"Synthetic organic"	"yes"	""	""	""	"479821193"	"124093"	""	""	"CHEMBL215303"	""	""	""	""	"1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinoline-3-carboxylic acid"	"garenoxacin"	"BMS-284756|Ganefloxacin|Garenfloxacin|Geninax&reg;|T-3811"	"C[C@@H]1c2c(CN1)cc(cc2)c1c(c2c(cc1)c(=O)c(cn2C1CC1)C(=O)O)OC(F)F"	"NJDRXTDGYFKORP-LLVKDONJSA-N"	"InChI=1S/C23H20F2N2O4/c1-11-15-5-2-12(8-13(15)9-26-11)16-6-7-17-19(21(16)31-23(24)25)27(14-3-4-14)10-18(20(17)28)22(29)30/h2,5-8,10-11,14,23,26H,3-4,9H2,1H3,(H,29,30)/t11-/m1/s1"	""	""	"yes"
"14668"	"garetosmab"	""	"Antibody"	"yes"	""	""	""	"530846916"	"0"	""	""	""	""	""	""	""	""	"garetosmab"	"garetosmab-grts|Pasatru&reg;|REGN-2477|REGN2477"	""	""	""	""	""	""
"13767"	"garsorasib"	""	"Synthetic organic"	"yes"	""	""	""	"507750400"	"155332312"	""	""	"CHEMBL5095066"	""	""	""	""	"7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoropyrido[2,3-d]pyrimidin-2-one"	"garsorasib"	"AnFangning&reg;|compound 2 [WO2021120045A1]|D-1553|D1553"	"C[C@@H]1CN([C@H](CN1C(=O)C=C)C)C2=NC(=O)N(C3=NC(=C(C=C32)F)C4=C(C=CC=C4F)N)C5=C(N=CN=C5C6CC6)C7CC7"	"DKFRWZJCNPETGI-SJORKVTESA-N"	"InChI=1S/C32H32F2N8O2/c1-4-24(43)40-13-17(3)41(14-16(40)2)30-20-12-22(34)28(25-21(33)6-5-7-23(25)35)38-31(20)42(32(44)39-30)29-26(18-8-9-18)36-15-37-27(29)19-10-11-19/h4-7,12,15-19H,1,8-11,13-14,35H2,2-3H3/t16-,17+/m1/s1"	""	""	""
"11647"	"gartisertib"	""	"Synthetic organic"	""	""	""	""	"442878673"	"86720912"	""	""	""	""	""	""	""	"2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Computed by Lexi"	"gartisertib"	"M-4344|M4344|VX-803|VX803"	"C1CN(CCC1C(=O)N1CCN(CC1)C1COC1)c1c(cncc1NC(=O)c1c2ncc(cn2nc1N)F)F"	"QAYHKBLKSXWOEO-UHFFFAOYSA-N"	"InChI=1S/C25H29F2N9O3/c26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17/h9-12,15,17H,1-8,13-14H2,(H2,28,32)(H,31,37)"	""	""	""
"14465"	"garutadustat"	""	"Synthetic organic"	""	""	""	""	"528429786"	"168817518"	""	""	""	""	""	""	""	"tert-butyl 4-[6-[(6-cyano-3-pyridinyl)methylcarbamoyl]-5-hydroxy-1,7-naphthyridin-2-yl]piperazine-1-carboxylate"	"garutadustat"	"example 29 [WO2023072246]|ISM-5411|ISM5411"	"CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=CN=C(C(=C3C=C2)O)C(=O)NCC4=CN=C(C=C4)C#N"	"VXVKDBNSYJRFIQ-UHFFFAOYSA-N"	"InChI=1S/C25H27N7O4/c1-25(2,3)36-24(35)32-10-8-31(9-11-32)20-7-6-18-19(30-20)15-28-21(22(18)33)23(34)29-14-16-4-5-17(12-26)27-13-16/h4-7,13,15,33H,8-11,14H2,1-3H3,(H,29,34)"	"yes"	""	""
"3543"	"gastric inhibitory polypeptide"	"Mouse"	"Peptide"	""	""	""	""	"135651768"	"0"	"P48756"	"ENSMUSG00000014351"	""	""	""	""	""	""	""	"gastric inhibitory peptide|GIP|glucose-dependent insulinotropic polypeptide"	""	""	""	""	""	""
"3542"	"gastric inhibitory polypeptide"	"Human"	"Peptide"	""	""	""	""	"135651767"	"0"	"P09681"	"ENSG00000159224"	""	""	""	""	""	""	""	"GIP|GIP(1-42)"	""	""	""	""	""	""
"1126"	"gastric inhibitory polypeptide"	"Rat"	"Peptide"	""	""	""	""	"135651766"	"0"	"Q06145"	"ENSRNOG00000006306"	""	""	""	""	""	""	""	"gastric inhibitory peptide|GIP|glucose-dependent insulinotropic polypeptide"	""	""	""	""	""	""
"8411"	"gastrin-14"	"Human"	"Peptide"	""	""	""	""	"252166621"	"57339539"	"P01350"	"ENSG00000184502"	""	""	""	""	""	""	""	""	"CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"	"SSBRJDBGIVUNDK-QOGDCIHTSA-N"	"InChI=1S/C85H109N17O27S/c1-43(2)34-62(101-75(119)52(86)37-47-40-88-53-16-10-8-14-50(47)53)83(127)97-59(26-31-71(113)114)81(125)96-58(25-30-70(111)112)80(124)95-57(24-29-69(109)110)79(123)94-56(23-28-68(107)108)78(122)93-55(22-27-67(105)106)77(121)91-44(3)74(118)100-63(36-46-18-20-49(103)21-19-46)76(120)90-42-66(104)92-64(38-48-41-89-54-17-11-9-15-51(48)54)84(128)98-60(32-33-130-4)82(126)102-65(39-72(115)116)85(129)99-61(73(87)117)35-45-12-6-5-7-13-45/h5-21,40-41,43-44,52,55-65,88-89,103H,22-39,42,86H2,1-4H3,(H2,87,117)(H,90,120)(H,91,121)(H,92,104)(H,93,122)(H,94,123)(H,95,124)(H,96,125)(H,97,127)(H,98,128)(H,99,129)(H,100,118)(H,101,119)(H,102,126)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)/t44-,52-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1"	""	""	""
"3561"	"gastrin-17"	"Rat"	"Peptide"	""	""	""	""	"135651756"	"0"	"P04563"	"ENSRNOG00000014740"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3559"	"gastrin-17"	"Human"	"Peptide"	""	""	""	""	"135651758"	"16168172"	"P01350"	"ENSG00000184502"	""	""	""	""	""	""	""	"gastrin I"	""	""	""	""	""	""
"3560"	"gastrin-17"	"Mouse"	"Peptide"	""	""	""	""	"135651757"	"0"	"P48757"	"ENSMUSG00000017165"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3564"	"gastrin-34"	"Rat"	"Peptide"	""	""	""	""	"178100527"	"0"	"P04563"	"ENSRNOG00000014740"	""	""	""	""	""	""	""	"big gastrin (rat)"	""	""	""	""	""	""
"3562"	"gastrin-34"	"Human"	"Peptide"	""	""	""	""	"178100525"	"0"	"P01350"	"ENSG00000184502"	""	""	""	""	""	""	""	"big gastrin"	""	""	""	""	""	""
"3563"	"gastrin-34"	"Mouse"	"Peptide"	""	""	""	""	"178100526"	"0"	"P48757"	"ENSMUSG00000017165"	""	""	""	""	""	""	""	"big gastrin (mouse)"	""	""	""	""	""	""
"3565"	"gastrin-52"	"Human"	"Peptide"	""	""	""	""	"178100528"	"0"	"P01350"	"ENSG00000184502"	""	""	""	""	""	""	""	"G52"	""	""	""	""	""	""
"3557"	"gastrin-6"	"Human"	"Peptide"	""	""	""	""	"178100523"	"0"	"P01350"	"ENSG00000184502"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3566"	"gastrin-71"	"Human"	"Peptide"	""	""	""	""	"178100529"	"0"	"P01350"	"ENSG00000184502"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3579"	"gastrin-releasing peptide"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651759"	"0"	"Q8R1I2|P24393"	"ENSMUSG00000024517|ENSRNOG00000016999"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3581"	"gastrin-releasing peptide"	"Pig"	"Peptide"	""	""	""	""	"135652160"	"0"	"P63153"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"612"	"gastrin-releasing peptide"	"Human"	"Peptide"	""	""	""	""	"135651760"	"0"	"P07492"	"ENSG00000134443"	""	""	""	""	""	""	""	"GRP"	""	""	""	""	""	""
"6175"	"gastrin releasing peptide(14-27) (human)"	"Human"	"Peptide"	""	""	""	""	"178102796"	"155817491"	""	""	""	""	""	""	""	""	""	"GRP(14-27)"	"CSCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O)C(C)C"	"MJHJYGACUDLDMG-QEJDUTAOSA-N"	"InChI=1S/C75H109N23O17S2/c1-39(2)26-52(67(107)92-51(74(114)115)21-25-117-7)93-68(108)54(29-44-33-80-37-86-44)89-61(102)36-85-72(112)62(40(3)4)97-63(103)41(5)88-66(106)53(28-43-32-83-49-13-9-8-12-47(43)49)94-69(109)55(30-45-34-81-38-87-45)95-70(110)56(31-59(77)100)90-60(101)35-84-65(105)50(14-10-22-82-75(78)79)91-71(111)58-15-11-23-98(58)73(113)57(27-42-16-18-46(99)19-17-42)96-64(104)48(76)20-24-116-6/h8-9,12-13,16-19,32-34,37-41,48,50-58,62,83,99H,10-11,14-15,20-31,35-36,76H2,1-7H3,(H2,77,100)(H,80,86)(H,81,87)(H,84,105)(H,85,112)(H,88,106)(H,89,102)(H,90,101)(H,91,111)(H,92,107)(H,93,108)(H,94,109)(H,95,110)(H,96,104)(H,97,103)(H,114,115)(H4,78,79,82)/t41-,48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1"	""	""	""
"9237"	"GAT100"	""	"Synthetic organic"	""	""	""	""	"315661312"	"117923261"	""	""	""	""	""	""	""	"3-Ethyl-5-isothiocyanato-N-[4-(piperidin-1-yl)phenethyl]-1H-indole-2-carboxamide"	""	"5-(cyanosulfanyl)-3-ethyl-N-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1H-indole-2-carboxamide"	"N#CSc1ccc2c(c1)c(CC)c([nH]2)C(=O)NCCc1ccc(cc1)N1CCCCC1"	"OZEQTGDZTPJNAR-UHFFFAOYSA-N"	"InChI=1S/C25H28N4OS/c1-2-21-22-16-20(31-17-26)10-11-23(22)28-24(21)25(30)27-13-12-18-6-8-19(9-7-18)29-14-4-3-5-15-29/h6-11,16,28H,2-5,12-15H2,1H3,(H,27,30)"	""	""	""
"10272"	"GAT211"	""	"Synthetic organic"	""	""	""	""	"381744953"	"4402318"	""	""	""	""	""	""	""	"3-(2-nitro-1-phenylethyl)-2-phenyl-1H-indole"	""	""	"[O-][N+](=O)CC(c1c([nH]c2c1cccc2)c1ccccc1)c1ccccc1"	"OHZDCJJHWPHZJD-UHFFFAOYSA-N"	"InChI=1S/C22H18N2O2/c25-24(26)15-19(16-9-3-1-4-10-16)21-18-13-7-8-14-20(18)23-22(21)17-11-5-2-6-12-17/h1-14,19,23H,15H2"	""	""	""
"10816"	"gatifloxacin"	""	"Synthetic organic"	"yes"	"yes"	""	""	"405560257"	"5379"	""	""	""	""	""	""	""	"1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid"	"gatifloxacin"	"AM-1155|AM1155|Gatiflo&reg;|GTFX|Tequin&reg;|Zymar&reg;"	"COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1"	"XUBOMFCQGDBHNK-UHFFFAOYSA-N"	"InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)"	""	""	"yes"
"13385"	"gatsuciclib"	""	"Synthetic organic"	""	""	""	""	"496703355"	"171364438"	""	""	""	""	""	""	""	"(3S)-N-ethyl-3-[[9-ethyl-2-[[(2R,3S)-2-hydroxypentan-3-yl]amino]purin-6-yl]amino]pyrrolidine-1-sulfonamide"	"gatsuciclib"	"AZD-8421|AZD8421"	"CC[C@@H]([C@@H](C)O)NC1=NC(=C2C(=N1)N(C=N2)CC)N[C@H]3CCN(C3)S(=O)(=O)NCC"	"ROGNUCVYDNPNJI-RDBSUJKOSA-N"	"InChI=1S/C18H32N8O3S/c1-5-14(12(4)27)22-18-23-16(15-17(24-18)25(7-3)11-19-15)21-13-8-9-26(10-13)30(28,29)20-6-2/h11-14,20,27H,5-10H2,1-4H3,(H2,21,22,23,24)/t12-,13+,14+/m1/s1"	""	""	""
"4198"	"GaTx1"	""	"Peptide"	""	""	""	""	"178101015"	"0"	"P85066"	""	""	""	""	""	""	""	""	"Toxin GaTx1"	""	""	""	""	""	""
"4199"	"GaTx2"	""	"Peptide"	""	""	""	""	"178101016"	"0"	"P80670"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14616"	"gavapsertib"	""	"Synthetic organic"	""	""	""	""	"530846864"	"168678889"	""	""	""	""	""	""	""	"(3R)-4-[7-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine"	"gavapsertib"	"compound A22 [US20230271968]"	"C[C@@H]1COCCN1C2=NC3=C(C=NN3C(=C2)C4=C(N(N=C4C)C5=CN=CC=C5)C)C6=CC=NN6"	"PDEJNQRPTDOBPE-OAHLLOKOSA-N"	"InChI=1S/C24H25N9O/c1-15-14-34-10-9-31(15)22-11-21(33-24(28-22)19(13-27-33)20-6-8-26-29-20)23-16(2)30-32(17(23)3)18-5-4-7-25-12-18/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,26,29)/t15-/m1/s1"	""	""	""
"6657"	"GB110"	""	"Synthetic organic"	""	""	""	""	"178103269"	"49843508"	""	""	""	""	""	""	""	"N-[(2S)-1-[[(2S)-1-[[3-[4-(aminomethyl)piperidine-1-carbonyl]phenyl] methylamino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan- 2-yl]-1,2-oxazole-5-carboxamide"	""	"GB 110|GB-110"	"NCC1CCN(CC1)C(=O)c1cccc(c1)CNC(=O)[C@H](C(CC)C)NC(=O)[C@@H](NC(=O)c1ccno1)CC1CCCCC1"	"HXLQLJFWNKMGET-KCPQSXFMSA-N"	"InChI=1S/C33H48N6O5/c1-3-22(2)29(38-30(40)27(19-23-8-5-4-6-9-23)37-31(41)28-12-15-36-44-28)32(42)35-21-25-10-7-11-26(18-25)33(43)39-16-13-24(20-34)14-17-39/h7,10-12,15,18,22-24,27,29H,3-6,8-9,13-14,16-17,19-21,34H2,1-2H3,(H,35,42)(H,37,41)(H,38,40)/t22?,27-,29-/m0/s1"	""	""	""
"11202"	"GB1211"	""	"Synthetic organic"	""	""	""	""	"434122262"	"132201704"	""	""	""	""	""	""	""	"2-(5-bromopyridin-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol"	""	"compound 11d [Zetterberg <i>et al</i>., 2022]|Example 44 [WO2016120403A1]|GB-1211"	"OCC1OC(Sc2cncc(c2)Br)C(C(C1O)n1nnc(c1)c1cc(F)c(c(c1)F)F)O"	"FNCLKJPMEFPXOR-UHFFFAOYSA-N"	"InChI=1S/C19H16BrF3N4O4S/c20-9-3-10(5-24-4-9)32-19-18(30)16(17(29)14(7-28)31-19)27-6-13(25-26-27)8-1-11(21)15(23)12(22)2-8/h1-6,14,16-19,28-30H,7H2"	""	""	""
"13393"	"GB1908"	""	"Synthetic organic"	""	""	""	""	"496703363"	"165175310"	""	""	""	""	""	""	""	"4-[1-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-5-hydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-yl]triazol-4-yl]-3H-1,3-thiazol-2-one"	""	"compound 5d [PMID: 38804039]|GB-1908"	"CO[C@H]1[C@@H](SC2=CC=C(Cl)C(Cl)=C2)O[C@H](CO)[C@H](O)[C@@H]1N3C=C(C4=CSC(O)=N4)N=N3"	"MNYFYJPPTJLAMF-DRRXZNNHSA-N"	"InChI=1S/C18H18Cl2N4O5S2/c1-28-16-14(24-5-11(22-23-24)12-7-30-18(27)21-12)15(26)13(6-25)29-17(16)31-8-2-3-9(19)10(20)4-8/h2-5,7,13-17,25-26H,6H2,1H3,(H,21,27)/t13-,14+,15+,16-,17-/m1/s1"	""	""	""
"11909"	"[G(B24)S]R3/I5"	""	"Peptide"	""	""	""	""	"461663464"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6658"	"GB88"	""	"Synthetic organic"	""	""	""	""	"178103270"	"57330164"	""	""	"CHEMBL2431617"	""	""	""	""	"N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide"	""	"GB 88|GB-88"	"CC[C@H]([C@@H](C(=O)N1CCC2(CC1)C=Cc1c2cccc1)NC(=O)[C@@H](NC(=O)c1ccno1)CC1CCCCC1)C"	"DCUDDCGUKZLQLN-ZEZZXZOMSA-N"	"InChI=1S/C32H42N4O4/c1-3-22(2)28(31(39)36-19-16-32(17-20-36)15-13-24-11-7-8-12-25(24)32)35-29(37)26(21-23-9-5-4-6-10-23)34-30(38)27-14-18-33-40-27/h7-8,11-15,18,22-23,26,28H,3-6,9-10,16-17,19-21H2,1-2H3,(H,34,38)(H,35,37)/t22-,26+,28+/m1/s1"	"yes"	""	""
"4639"	"GBR12935"	""	"Synthetic organic"	""	""	""	""	"178101357"	"3456"	""	""	"CHEMBL26320"	""	""	""	""	"1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine"	""	"GBR 12935|GBR-12935"	"c1ccc(cc1)CCCN1CCN(CC1)CCOC(c1ccccc1)c1ccccc1"	"RAQPOZGWANIDQT-UHFFFAOYSA-N"	"InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2"	""	""	""
"11635"	"GC-373"	""	"Peptide"	""	""	""	""	"442878665"	"54752934"	""	""	"CHEMBL1821850"	""	""	""	""	""	""	"GC373|N-benzyloxycarbonyl-L-leucyl-3-(2-oxopyrrolidin-3-yl)-L-alaninal"	"O=C[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC1CCNC1=O"	"QYENXTYKACLCGO-FQECFTEESA-N"	"InChI=1S/C21H29N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,12,14,16-18H,8-11,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16?,17-,18-/m0/s1"	""	""	""
"10883"	"GC-376"	""	"Synthetic organic"	""	""	""	""	"405560324"	"71481120"	""	""	"CHEMBL2365410"	""	""	""	""	"(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid"	""	"compound 7a [PMID: 23218713]|GC376"	"CC(C[C@@H](C(=O)N[C@H](C(S(=O)(=O)O)O)CC1CCNC1=O)NC(=O)OCc1ccccc1)C"	"BSPZFJDYQHDZNR-ASPXRTSYSA-N"	"InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15?,16-,17-,20?/m0/s1"	""	""	""
"4934"	"G-CSF"	"Human"	"Peptide"	"yes"	""	""	""	"178101632"	"0"	"P09919"	"ENSG00000108342"	"CHEMBL2109128"	""	""	""	""	""	"lenograstim"	"Granocyte&reg;"	""	""	""	"yes"	""	""
"11506"	"GDC-0134"	""	"Synthetic organic"	""	""	""	""	"441604878"	"86298636"	""	""	"CHEMBL3732012"	""	""	""	""	""	""	"compound  279 [WO2014177060A1]|GDC0134"	"FC(Oc1cc(cnc1N)c1cc(nc(n1)N1CCC(C1)(F)F)N1C[C@@H]2C[C@H]1CO2)F"	"SKMKJBYBPYBDMN-RYUDHWBXSA-N"	"InChI=1S/C19H20F4N6O2/c20-17(21)31-14-3-10(6-25-16(14)24)13-5-15(29-7-12-4-11(29)8-30-12)27-18(26-13)28-2-1-19(22,23)9-28/h3,5-6,11-12,17H,1-2,4,7-9H2,(H2,24,25)/t11-,12-/m0/s1"	""	""	""
"7733"	"GDC-0152"	""	"Synthetic organic"	""	""	""	""	"223366066"	"46940575"	""	""	"CHEMBL2063869"	""	""	""	""	"(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide"	""	"GDC 0152|GDC0152"	"CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1c1ccccc1)C1CCCCC1)C"	"WZRFLSDVFPIXOV-LRQRDZAKSA-N"	"InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1"	""	""	""
"12318"	"GDC-0214"	""	"Synthetic organic"	""	""	""	""	"479821109"	"118522534"	""	""	"CHEMBL3964801"	""	""	""	""	"N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-cyanoethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide"	""	"GDC0214|iJak-381|RG-6151|RG6151"	"CN(CCC#N)C1CCN(CC1)C(=O)Cn1cc(c(n1)c1c(ccc(c1)Cl)OC(F)F)NC(=O)c1c2ncccn2nc1"	"ITNFPSJJBYFVEA-UHFFFAOYSA-N"	"InChI=1S/C28H28ClF2N9O3/c1-37(10-2-8-32)19-6-12-38(13-7-19)24(41)17-39-16-22(35-27(42)21-15-34-40-11-3-9-33-26(21)40)25(36-39)20-14-18(29)4-5-23(20)43-28(30)31/h3-5,9,11,14-16,19,28H,2,6-7,10,12-13,17H2,1H3,(H,35,42)"	"yes"	""	""
"12779"	"GDC-0276"	""	"Synthetic organic"	""	""	""	""	"483123327"	"91809347"	""	""	"CHEMBL3657855"	""	""	""	""	"4-(1-adamantylmethoxy)-N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluorobenzamide"	""	"compound 1 [PMID: 33682420]|compound 4 [PMID: 31012583]|GDC0276"	"FC1=C(C(NS(=O)(N2CCC2)=O)=O)C=C(C3CC3)C(OCC45C[C@H]6C[C@H](C[C@H](C6)C4)C5)=C1"	"PTCBNPULJWGSML-FPOCAHDMSA-N"	"InChI=1S/C24H31FN2O4S/c25-21-10-22(31-14-24-11-15-6-16(12-24)8-17(7-15)13-24)19(18-2-3-18)9-20(21)23(28)26-32(29,30)27-4-1-5-27/h9-10,15-18H,1-8,11-14H2,(H,26,28)/t15-,16+,17-,24?"	""	""	""
"12568"	"GDC-0334"	""	"Synthetic organic"	""	""	""	""	"479821358"	"122490062"	""	""	"CHEMBL4865238"	""	""	""	""	"(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl]methyl]pyrrolidine-2-carboxamide"	""	"GDC0334"	"C[C@H]1[C@@H](C[C@H](N1S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC(=NC=C3C(F)(F)F)C4=CN=C(N=C4)C(F)(F)F)F"	"RGXNECXVRZKGGH-UOXRKKOCSA-N"	"InChI=1S/C24H19F8N5O3S/c1-12-18(26)7-20(37(12)41(39,40)16-4-2-15(25)3-5-16)21(38)34-8-13-6-19(33-11-17(13)23(27,28)29)14-9-35-22(36-10-14)24(30,31)32/h2-6,9-12,18,20H,7-8H2,1H3,(H,34,38)/t12-,18+,20-/m0/s1"	""	""	""
"12708"	"GDC-0339"	""	"Synthetic organic"	""	""	""	""	"483123256"	"73603034"	""	""	"CHEMBL3648680"	""	""	""	""	"5-amino-N-[5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide"	""	"compound 16 [PMID: 30715878]|GDC0339"	"NC1=C(C(NC2=C(N3CC[C@@H](F)[C@H](N)CC3)N(N=C2)C)=O)N=C(C4=C(F)C=CC=C4F)S1"	"NHXVGMQFCYBLTL-ZWNOBZJWSA-N"	"InChI=1S/C20H22F3N7OS/c1-29-20(30-7-5-10(21)13(24)6-8-30)14(9-26-29)27-18(31)16-17(25)32-19(28-16)15-11(22)3-2-4-12(15)23/h2-4,9-10,13H,5-8,24-25H2,1H3,(H,27,31)/t10-,13-/m1/s1"	""	""	""
"9909"	"GDC-0623"	""	"Synthetic organic"	""	""	""	""	"363894203"	"42642654"	""	""	""	""	""	""	""	""	""	"G-868|GDC 0623|GDC0623|RG-7421|RG7421"	"OCCONC(=O)c1ccc2n(c1Nc1ccc(cc1F)I)cnc2"	"RFWVETIZUQEJEF-UHFFFAOYSA-N"	"InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)"	""	""	""
"9263"	"GDC-0834"	""	"Synthetic organic"	""	""	""	""	"315661338"	"25234918"	""	""	"CHEMBL2057915"	""	""	""	""	"N-[3-[6-[4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide"	""	"GDC 0834"	"CN1CCN(C(=O)[C@H]1c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCC2)C"	"CDOOFZZILLRUQH-GDLZYMKVSA-N"	"InChI=1S/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/m1/s1"	"yes"	""	""
"5681"	"GDC-0879"	""	"Synthetic organic"	""	""	""	""	"178102308"	"11717001"	""	""	"CHEMBL525191"	""	""	""	""	"2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethan-1-ol"	""	"AR 00341677|AR00341677|GDC 0879|GDC0879"	"OCCn1cc(c(n1)c1ccncc1)c1ccc2c(c1)CC/C/2=N\O"	"DEZZLWQELQORIU-RELWKKBWSA-N"	"InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+"	""	""	""
"12280"	"GDC-2394"	""	"Synthetic organic"	""	""	""	""	"473153868"	"135242204"	""	""	""	""	""	""	""	"1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea"	""	"compound 20 [PMID: 36279149]|GDC2394"	"C1CCc2c(c3CCCc3cc12)NC(=O)NS(=O)(=O)c1cnn2c1OC[C@H](C2)NC"	"NDRARVKETDZHBS-AWEZNQCLSA-N"	"InChI=1S/C20H25N5O4S/c1-21-14-10-25-19(29-11-14)17(9-22-25)30(27,28)24-20(26)23-18-15-6-2-4-12(15)8-13-5-3-7-16(13)18/h8-9,14,21H,2-7,10-11H2,1H3,(H2,23,24,26)/t14-/m0/s1"	"yes"	""	""
"14564"	"GDC-2992"	""	"Synthetic organic"	""	""	""	""	"530846812"	"169012814"	""	""	""	""	""	""	""	"N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxophthalazin-6-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide"	""	"Compound 28A [WO2021249534]|GDC2992|RO7656594"	"N#CC1=CC=C(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(N4CCC(CN5CCN(C6=CC=7C=NN([C@@H]8C(NC(CC8)=O)=O)C(=O)C7C=C6)CC5)CC4)C=C3)=O)C2(C)C)C=C1Cl"	"PAELKDHSDBUTGE-SCBUQILPSA-N"	"InChI=1S/C45H51ClN8O5/c1-44(2)42(45(3,4)43(44)59-34-11-7-30(25-47)36(46)24-34)50-39(56)29-5-8-32(9-6-29)52-17-15-28(16-18-52)27-51-19-21-53(22-20-51)33-10-12-35-31(23-33)26-48-54(41(35)58)37-13-14-38(55)49-40(37)57/h5-12,23-24,26,28,37,42-43H,13-22,27H2,1-4H3,(H,50,56)(H,49,55,57)/t37-,42-,43-/m0/s1"	""	""	""
"12591"	"GDI-036"	""	"Synthetic organic"	""	""	""	""	"479821381"	"167993661"	""	""	""	""	""	""	""	"(1R,2S,5S)-N-[(S)-cyano(isoquinolin-4-yl)methyl]-3-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide"	""	""	"CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C3=C4C=CC=CC4=CN=C3)C2(C)C)C(C)(C)C"	"FZOWFRRDCZIGIW-MFKCLSPESA-N"	"InChI=1S/C27H33N5O3/c1-15(33)30-23(26(2,3)4)25(35)32-14-19-21(27(19,5)6)22(32)24(34)31-20(11-28)18-13-29-12-16-9-7-8-10-17(16)18/h7-10,12-13,19-23H,14H2,1-6H3,(H,30,33)(H,31,34)/t19-,20+,21-,22-,23+/m0/s1"	""	""	""
"4940"	"GDNF"	"Human"	"Peptide"	""	""	""	""	"178101638"	"0"	"P39905"	"ENSG00000168621"	""	""	""	""	""	""	""	"astrocyte-derived trophic factor (ATF)"	""	""	""	""	""	""
"5416"	"GDP&beta;S"	""	"Synthetic organic"	""	""	""	""	"178102069"	"135410865"	""	""	""	""	""	""	""	"[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate"	""	"Gdp(beta-S)|GDP-&beta;-S|GDP-bS|guanosine 5'-O-(2-thiodiphosphate)"	"O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)[nH]c2=O"	"QJXJXBXFIOTYHB-UUOKFMHZSA-N"	"InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-26(19,20)25-27(21,22)28/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H2,21,22,28)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1"	""	""	""
"4578"	"GDP-fucose"	""	"Metabolite"	""	""	""	""	"178101299"	"135412609"	""	""	""	""	""	""	""	"[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphosphoryl] hydrogen phosphate"	""	"GDP-L-fucose|guanosine diphosphate fucose"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(OC2O[C@@H](C)[C@H]([C@H]([C@@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(N)nc2=O"	"LQEBEXMHBLQMDB-QIXZNPMTSA-N"	"InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15?/m0/s1"	""	""	""
"2426"	"Gd<sup>3+</sup>"	""	"Inorganic"	""	""	""	""	"135652735"	"168050"	""	""	""	""	""	""	""	""	""	"gadolinium ion"	""	""	""	""	""	""
"8585"	"GE-137"	""	"Peptide"	""	""	"yes"	""	"252166786"	"91827375"	""	""	""	""	""	""	""	""	""	""	"OC[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCC(=O)O)Cc1ccccc1)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N)CCCCNC(=O)CCCCCN1c2ccc(cc2C(/C/1=C/C=C/C=C/C1=[N+](CCCCS(=O)(=O)O)c2c(C1(C)CCCCS(=O)(=O)O)cc(cc2)S(=O)(=O)[O-])(C)C)S(=O)(=O)O)[C@H](O)C)CCC(=O)O)[C@H](O)C)CCC(=O)O)Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)C)C"	"UQYUYHHXESUXGH-ABPLELQPSA-N"	"InChI=1S/C156H212N34O52S8/c1-85(169-88(4)195)135(212)165-76-126(202)171-111(80-192)145(222)184-114-83-245-244-82-113(183-144(221)109(69-92-72-162-100-31-17-16-30-97(92)100)179-148(225)112-81-243-246-84-115(182-143(220)108(178-147(114)224)68-91-41-45-94(197)46-42-91)149(226)180-110(79-191)137(214)168-78-128(204)189-62-27-35-119(189)153(230)190-63-26-34-118(190)150(227)174-102(33-25-59-161-154(158)159)138(215)176-106(66-89-28-11-8-12-29-89)141(218)172-104(139(216)181-112)50-55-130(207)208)146(223)177-107(67-90-39-43-93(196)44-40-90)142(219)173-105(51-56-131(209)210)140(217)186-133(87(3)194)152(229)175-103(49-54-129(205)206)136(213)166-77-127(203)185-132(86(2)193)151(228)167-74-124(200)163-73-123(199)164-75-125(201)170-101(134(157)211)32-18-20-58-160-122(198)38-15-10-21-60-187-116-52-47-95(249(237,238)239)70-98(116)155(5,6)120(187)36-13-9-14-37-121-156(7,57-19-23-64-247(231,232)233)99-71-96(250(240,241)242)48-53-117(99)188(121)61-22-24-65-248(234,235)236/h8-9,11-14,16-17,28-31,36-37,39-48,52-53,70-72,85-87,101-115,118-119,132-133,162,191-194H,10,15,18-27,32-35,38,49-51,54-69,73-84H2,1-7H3,(H39-,157,158,159,160,161,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,195,196,197,198,199,200,201,202,203,205,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,231,232,233,234,235,236,237,238,239,240,241,242)/t85-,86+,87+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,118-,119-,132-,133-,156?/m0/s1"	""	""	""
"4200"	"GEA 3162"	""	"Synthetic organic"	""	""	""	""	"178101017"	"121921"	""	""	""	""	""	""	""	"5-amino-3-(3,4-dichlorophenyl)-1,2,3$l^{5},4-oxatriazol-3-ylium"	""	"GEA-3162|GEA3162"	"Nc1on[n+](n1)c1ccc(c(c1)Cl)Cl"	"KMVGWIQTUUBYAV-UHFFFAOYSA-N"	"InChI=1S/C7H5Cl2N4O/c8-5-2-1-4(3-6(5)9)13-11-7(10)14-12-13/h1-3H,(H2,10,11,12)/q+1"	""	""	""
"7940"	"gedatolisib"	""	"Synthetic organic"	"yes"	""	""	""	"249565623"	"44516953"	""	""	"CHEMBL592445"	""	""	""	""	"1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea"	"gedatolisib"	"PF-05212384|PKI 587|PKI-587|Revtorpyk&reg;"	"O=C(Nc1ccc(cc1)c1nc(nc(n1)N1CCOCC1)N1CCOCC1)Nc1ccc(cc1)C(=O)N1CCC(CC1)N(C)C"	"DWZAEMINVBZMHQ-UHFFFAOYSA-N"	"InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)"	""	""	""
"9540"	"gefapixant"	""	"Synthetic organic"	"yes"	""	""	""	"336446926"	"24764487"	""	""	""	""	""	""	""	"5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylbenzenesulfonamide"	"gefapixant"	"AF-219|AF219|Lyfnua&reg;|MK7264|MK‐7264"	"COc1cc(C(C)C)c(cc1S(=O)(=O)N)Oc1cnc(nc1N)N"	"HLWURFKMDLAKOD-UHFFFAOYSA-N"	"InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19)"	"yes"	""	""
"4941"	"gefitinib"	""	"Synthetic organic"	"yes"	""	""	""	"178101639"	"123631"	""	""	"CHEMBL939"	""	""	""	""	"N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine"	"gefitinib"	"Iressa&reg;|ZD 1839|ZD1839"	"COc1cc2ncnc(c2cc1OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)F"	"XGALLCVXEZPNRQ-UHFFFAOYSA-N"	"InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)"	""	""	""
"14698"	"gefurulimab"	""	"Antibody"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"gefurulimab"	"ALXN-1720|ALXN1720|CON-9978|Klygefa&reg;|TPP-2511"	""	""	""	"yes"	""	""
"9829"	"geldanamycin"	""	"Natural product"	""	""	""	""	"354702300"	"5288382"	""	""	"CHEMBL278315"	""	""	""	""	"[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate"	""	""	"CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(C2=O)NC(=O)/C(=C/C=C\[C@@H]([C@H](/C(=C/[C@@H]([C@H]1O)C)/C)OC(=O)N)OC)/C"	"QTQAWLPCGQOSGP-KSRBKZBZSA-N"	"InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1"	""	""	"yes"
"4793"	"gemcitabine"	""	"Synthetic organic"	"yes"	""	""	""	"178101495"	"60750"	""	""	"CHEMBL888"	""	""	""	""	"4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one"	"gemcitabine"	"gemcitabine hydrochloride|Gemzar&reg;"	"OC[C@H]1O[C@H](C([C@@H]1O)(F)F)n1ccc(nc1=O)N"	"SDUQYLNIPVEERB-QPPQHZFASA-N"	"InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1"	""	""	""
"3439"	"gemfibrozil"	""	"Synthetic organic"	"yes"	""	""	""	"178100439"	"3463"	""	""	"CHEMBL457"	""	""	""	""	"5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid"	"gemfibrozil"	"CI-719|Gen-Fibro&reg;|Jezil&reg;"	"Cc1ccc(c(c1)OCCCC(C(=O)O)(C)C)C"	"HEMJJKBWTPKOJG-UHFFFAOYSA-N"	"InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)"	""	""	""
"12406"	"gemifloxacin"	""	"Synthetic organic"	"yes"	"yes"	""	""	"479821197"	"9571107"	""	""	"CHEMBL430"	""	""	""	""	"7-[3-(aminomethyl)-4-methoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid"	"gemifloxacin"	"Factive&reg;|LB20304|SB 265805"	"CO/N=C/1\CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F"	"ZRCVYEYHRGVLOC-HYARGMPZSA-N"	"InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+"	""	""	"yes"
"2782"	"gemini"	""	"Synthetic organic"	""	""	""	""	"135650299"	"44339465"	""	""	"CHEMBL322149"	""	""	""	""	"(1R,3S,5Z)-5-{2-[(1R,4E,7aR)-1-(2,10-dihydroxy-2,10-dimethylundecan-6-yl)-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol"	""	"1R,25-dihydroxy-21-(3-hydroxy-3-methylbutyl)vitamin D3|KH"	"O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3(C2CC[C@@H]3C(CCCC(O)(C)C)CCCC(O)(C)C)C)/C1"	"WTQXZYVWLNPNEX-YEWRDARRSA-N"	"InChI=1S/C32H54O4/c1-22-25(20-26(33)21-29(22)34)14-13-24-12-9-19-32(6)27(15-16-28(24)32)23(10-7-17-30(2,3)35)11-8-18-31(4,5)36/h13-14,23,26-29,33-36H,1,7-12,15-21H2,2-6H3/b24-13+,25-14-/t26-,27-,28?,29+,32-/m1/s1"	""	""	""
"11668"	"gemnelatinib"	""	"Synthetic organic"	""	""	""	""	"442878694"	"156587564"	""	""	""	""	""	""	""	""	"gemnelatinib"	""	"[C@H](C)(n1cc(cc(C)c1=O)c1nccc(c1)C#N)c1cc(ccc1)c1ncccn1"	"XVQSNGJANOEGEE-QGZVFWFLSA-N"	"InChI=1S/C24H19N5O/c1-16-11-21(22-12-18(14-25)7-10-26-22)15-29(24(16)30)17(2)19-5-3-6-20(13-19)23-27-8-4-9-28-23/h3-13,15,17H,1-2H3/t17-/m1/s1"	""	""	""
"6775"	"gemtuzumab ozogamicin"	""	"Antibody"	"yes"	""	""	""	"178103381"	"0"	""	""	""	""	""	""	""	""	"gemtuzumab ozogamicin"	"CDP 771|CMA 676|hP67.6-calicheamicin|Mylotarg&reg;|WAY-CMA 676"	""	""	""	"yes"	""	""
"2826"	"genistein"	""	"Natural product"	""	""	""	""	"135650300"	"5280961"	""	""	"CHEMBL44"	""	""	""	""	"5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one"	""	"5,7,4'-trihydroxyisoflavone"	"Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O"	"TZBJGXHYKVUXJN-UHFFFAOYSA-N"	"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H"	""	""	""
"2427"	"gentamicin"	""	"Natural product"	"yes"	""	""	""	"135650301"	"3467"	""	""	"CHEMBL329592"	""	""	""	""	"2-[4,6-diamino-3-[3-amino-6-(1-methylaminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-methylaminooxane-3,5-diol"	"gentamicin"	"Garamycin&reg;|gentamicin sulfate"	"CNC(C1CCC(C(O1)OC1C(N)CC(C(C1O)OC1OCC(C(C1O)NC)(C)O)N)N)C"	"CEAZRRDELHUEMR-UHFFFAOYSA-N"	"InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3"	""	""	"yes"
"12930"	"gepirone"	""	"Synthetic organic"	"yes"	""	""	""	"485206051"	"55191"	""	""	"CHEMBL284092"	""	""	""	""	"4,4-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione"	"gepirone"	"BMY-13805|BMY13805|Exxua&reg;|MJ-13805|MJ13805|ORG-13011|Travivo (gepirone extended-release)"	"CC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)C3=NC=CC=N3)C"	"QOIGKGMMAGJZNZ-UHFFFAOYSA-N"	"InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3"	""	""	""
"10817"	"gepotidacin"	""	"Synthetic organic"	"yes"	""	""	""	"405560258"	"25101874"	""	""	"CHEMBL3317856"	""	""	""	""	"(3R)-3-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione"	"gepotidacin"	"Blujepa&reg;|GSK-2140944|GSK2140944"	"O=c1cnc2c3n1[C@H](CN1CCC(CC1)NCc1ncc4c(c1)CCCO4)Cn3c(=O)cc2"	"PZFAZQUREQIODZ-LJQANCHMSA-N"	"InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1"	""	""	"yes"
"2467"	"geraniol"	""	"Natural product"	""	""	""	""	"135650302"	"637566"	""	""	"CHEMBL25719"	""	""	""	""	"(2E)-3,7-dimethylocta-2,6-dien-1-ol"	""	""	"OC/C=C(/CCC=C(C)C)\C"	"GLZPCOQZEFWAFX-JXMROGBWSA-N"	"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+"	""	""	""
"3175"	"geranyl biphosphonate"	""	"Synthetic organic"	""	""	""	""	"135650303"	"10086833"	""	""	"CHEMBL84909"	""	""	""	""	"[(3E)-4,8-dimethyl-1-phosphononona-3,7-dien-1-yl]phosphonic acid"	""	""	"C/C(=C\CC(P(=O)(O)O)P(=O)(O)O)/CCC=C(C)C"	"HMRLDZHPNDPQNS-JXMROGBWSA-N"	"InChI=1S/C11H22O6P2/c1-9(2)5-4-6-10(3)7-8-11(18(12,13)14)19(15,16)17/h5,7,11H,4,6,8H2,1-3H3,(H2,12,13,14)(H2,15,16,17)/b10-7+"	""	""	""
"3051"	"geranyl diphosphate"	""	"Metabolite"	""	""	""	""	"135651490"	"445995"	""	""	"CHEMBL41342"	""	""	""	""	"[(2E)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate"	""	"geranyl pyrophosphate|GPP|neryl pyrophosphate"	"C/C(=C\COP(=O)(OP(=O)(O)O)O)/CCC=C(C)C"	"GVVPGTZRZFNKDS-JXMROGBWSA-N"	"InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+"	""	""	""
"3052"	"geranylgeranyl diphosphate"	""	"Metabolite"	""	""	""	""	"135651491"	"447277"	""	""	"CHEMBL1229266"	""	""	""	""	"phosphono 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl hydrogen phosphate"	""	"all-trans-geranylgeranyl diphosphate|all-trans-geranylgeranyl-PP|geranylgeranyl pyrophosphate|geranylgeranyl-PP|GGPP"	"C/C(=C\CC/C(=C/COP(=O)(OP(=O)(O)O)O)/C)/CC/C=C(/CCC=C(C)C)\C"	"OINNEUNVOZHBOX-QIRCYJPOSA-N"	"InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+"	""	""	""
"11246"	"gestodene"	""	"Synthetic organic"	"yes"	""	""	""	"434122306"	"3033968"	""	""	"CHEMBL1213583"	""	""	""	""	""	""	"Femodene&reg; (ethinylestradiol, gestodene)|Millinette&reg; (ethinylestradiol, gestodene)|SH-B-331"	"C#C[C@]1(O)C=C[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12"	"SIGSPDASOTUPFS-XUDSTZEESA-N"	"InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1"	""	""	""
"14322"	"getagozumab"	""	"Antibody"	""	""	""	""	"523352114"	"0"	""	""	""	""	""	""	""	""	""	"GMA-301|GMA301"	""	""	""	""	""	""
"7394"	"gevokizumab"	""	"Antibody"	""	""	""	""	"178103966"	"0"	""	""	""	""	""	""	""	""	"gevokizumab"	"XOMA 052|XOMA-052"	""	""	""	"yes"	""	""
"5193"	"GF109203X"	""	"Synthetic organic"	""	""	""	""	"178101881"	"2396"	""	""	"CHEMBL7463"	""	""	""	""	"3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione"	""	"bisindolylmaleimide I|G&ouml;6850|GF 109203X"	"CN(CCCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2)C"	"QMGUOJYZJKLOLH-UHFFFAOYSA-N"	"InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)"	""	""	""
"12527"	"GFB-8438"	""	"Synthetic organic"	""	""	""	""	"479821317"	"138471783"	""	""	"CHEMBL4530872"	""	""	""	""	"5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one"	""	"GFB8438"	"C1CN(C(=O)CN1C2=C(C(=O)NN=C2)Cl)CC3=CC=CC=C3C(F)(F)F"	"MITRKIWBJVJRAM-UHFFFAOYSA-N"	"InChI=1S/C16H14ClF3N4O2/c17-14-12(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-11(10)16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26)"	""	""	""
"14500"	"GFH018"	""	"Synthetic organic"	""	""	""	""	"528429821"	"132246793"	""	""	"CHEMBL5518004"	""	""	""	""	"(E)-3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide"	""	"GFH-018"	"CC1=NC(=CC=C1)C2=NN3CCCC3=C2C4=C(N5C(=NC=N5)C=C4)/C=C/C(=O)N"	"FSQGWBXWGNWEAV-CMDGGOBGSA-N"	"InChI=1S/C21H19N7O/c1-13-4-2-5-15(25-13)21-20(17-6-3-11-27(17)26-21)14-7-10-19-23-12-24-28(19)16(14)8-9-18(22)29/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,22,29)/b9-8+"	"yes"	""	""
"14674"	"GFH647"	""	"Synthetic organic"	""	""	""	""	"530846922"	"170453320"	""	""	""	""	""	""	""	""	""	"compound Z161 [US20240360154]|GFH-647"	"N1C=2C=3C(C(C=4C(Cl)=CC(OC=5C=CC=CC5)=CC4)=O)=CNC3N=CC2NC(=O)[C@]1(C([2H])([2H])[2H])COC([2H])([2H])[2H]"	"RIADFIQSVUZRGG-FEMLVCHJSA-N"	"InChI=1S/C25H21ClN4O4/c1-25(13-33-2)24(32)29-19-12-28-23-20(21(19)30-25)17(11-27-23)22(31)16-9-8-15(10-18(16)26)34-14-6-4-3-5-7-14/h3-12,30H,13H2,1-2H3,(H,27,28)(H,29,32)/t25-/m0/s1/i1D3,2D3"	""	""	""
"5839"	"gG-2p20"	""	"Peptide"	""	""	""	""	"178102464"	"155817478"	""	""	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C"	"KKWBTFWTAVUNSC-NMUKIVKQSA-N"	"InChI=1S/C67H102N16O21/c1-33(2)24-43(75-48(85)27-68)60(96)77-44(25-34(3)4)61(97)78-45(26-38-28-69-40-15-11-10-14-39(38)40)62(98)80-56(36(7)8)66(102)76-42(19-21-54(92)93)59(95)79-55(35(5)6)65(101)71-29-49(86)70-30-50(87)74-41(18-20-53(90)91)58(94)72-31-51(88)82-22-12-16-46(82)63(99)73-32-52(89)83-23-13-17-47(83)64(100)81-57(37(9)84)67(103)104/h10-11,14-15,28,33-37,41-47,55-57,69,84H,12-13,16-27,29-32,68H2,1-9H3,(H,70,86)(H,71,101)(H,72,94)(H,73,99)(H,74,87)(H,75,85)(H,76,102)(H,77,96)(H,78,97)(H,79,95)(H,80,98)(H,81,100)(H,90,91)(H,92,93)(H,103,104)/t37-,41+,42+,43+,44+,45+,46+,47+,55+,56+,57+/m1/s1"	""	""	""
"10265"	"GGsTop"	""	"Synthetic organic"	""	""	""	""	"381744946"	"23582776"	""	""	"CHEMBL3948970"	""	""	""	""	"2-amino-4-[[3-(carboxymethyl)phenoxy]-methoxyphosphoryl]butanoic acid"	""	""	"COP(=O)(Oc1cccc(c1)CC(=O)O)CCC(C(=O)O)N"	"NTFPDEDRMYYPAC-UHFFFAOYSA-N"	"InChI=1S/C13H18NO7P/c1-20-22(19,6-5-11(14)13(17)18)21-10-4-2-3-9(7-10)8-12(15)16/h2-4,7,11H,5-6,8,14H2,1H3,(H,15,16)(H,17,18)"	""	""	""
"3597"	"ghrelin"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651761"	"0"	"Q9QYH7|Q9EQX0"	"ENSRNOG00000010349|ENSMUSG00000064177"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1099"	"ghrelin"	"Human"	"Peptide"	""	""	""	""	"135651762"	"0"	"Q9UBU3"	"ENSG00000157017"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3603"	"GHRH"	"Rat"	"Peptide"	""	""	""	""	"135651765"	"0"	"P09916"	"ENSRNOG00000007782"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3602"	"GHRH"	"Mouse"	"Peptide"	""	""	""	""	"135651764"	"0"	"P16043"	"ENSMUSG00000027643"	""	""	""	""	""	""	""	"growth hormone-releasing factor|somatoliberin (mouse)"	""	""	""	""	""	""
"2270"	"GHRH"	"Human"	"Peptide"	""	""	""	""	"135651763"	"16132353"	"P01286"	"ENSG00000118702"	""	""	""	""	""	""	"somatorelin"	"growth hormone-releasing factor (GHRF)|growth hormone-releasing hormone (GHRH)|somatoliberin|somatorelin"	""	""	""	""	""	""
"1103"	"GHRH-(1-29)-NH<sub>2</sub> (human)"	""	"Peptide"	""	""	""	""	"135652161"	"0"	""	""	""	""	""	""	""	""	""	"GHRH (1-29)NH<sub>2</sub> (human)|human growth hormone releasing hormone (1-29)NH<sub>2</sub>"	""	""	""	""	""	""
"1104"	"GHRH-(1-29)-NH<sub>2</sub> (rat)"	""	"Peptide"	""	""	""	""	"135652162"	"0"	""	""	""	""	""	""	""	""	""	"GHRH(1-29)NH<sub>2</sub> (rat)|rat growth hormone releasing hormone (1-29)NH<sub>2</sub>"	""	""	""	""	""	""
"1105"	"GHRH-(1-29)-OH (human)"	""	"Peptide"	""	""	""	""	"135652163"	"0"	""	""	""	""	""	""	""	""	""	"GHRH(1-29)OH (human)|human growth hormone releasing hormone (1-29)OH"	""	""	""	""	""	""
"1093"	"GHRP-6"	""	"Peptide"	""	""	""	""	"135652165"	"4345065"	""	""	""	""	""	""	""	"6-amino-2-[[2-[[2-[2-[[2-[[2-amino-3-(3H-imidazol-4-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide"	""	"GH-releasing hexapeptide 6|growth hormone releasing hexapeptide|growth hormone releasing peptide-6|Skf 110679"	"NCCCCC(C(=O)N)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1cnc[nH]1)N)C"	"WZHKXNSOCOQYQX-UHFFFAOYSA-N"	"InChI=1S/C46H56N12O6/c1-27(54-44(62)39(20-29-23-51-35-15-7-5-13-32(29)35)57-43(61)34(48)22-31-25-50-26-53-31)42(60)56-40(21-30-24-52-36-16-8-6-14-33(30)36)46(64)58-38(19-28-11-3-2-4-12-28)45(63)55-37(41(49)59)17-9-10-18-47/h2-8,11-16,23-27,34,37-40,51-52H,9-10,17-22,47-48H2,1H3,(H2,49,59)(H,50,53)(H,54,62)(H,55,63)(H,56,60)(H,57,61)(H,58,64)"	""	""	""
"9687"	"GI254023X"	""	"Synthetic organic"	""	""	""	""	"348353646"	"9952396"	""	""	"CHEMBL1229516"	""	""	""	""	"(2R)-N-[(1S)-2,2-Dimethyl-1-[(methylamino)carbonyl]propyl]-2-[(1S)-1-(N-hydroxyformamido)ethyl]-5-phenylpentanamide"	""	"GI 254023X|GI-254023X"	"CNC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H]([C@@H](N(C=O)O)C)CCCc1ccccc1"	"GHVMTHKJUAOZJP-CGTJXYLNSA-N"	"InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1"	""	""	""
"10337"	"GI‐530159"	""	"Synthetic organic"	""	""	""	""	"381745018"	"94652"	""	""	""	""	""	""	""	"4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline"	""	""	"FC(C(C(F)(F)F)(c1ccc(cc1)Oc1ccc(cc1)N)c1ccc(cc1)Oc1ccc(cc1)N)(F)F"	"HHLMWQDRYZAENA-UHFFFAOYSA-N"	"InChI=1S/C27H20F6N2O2/c28-26(29,30)25(27(31,32)33,17-1-9-21(10-2-17)36-23-13-5-19(34)6-14-23)18-3-11-22(12-4-18)37-24-15-7-20(35)8-16-24/h1-16H,34-35H2"	""	""	""
"11876"	"gilmelisib"	""	"Synthetic organic"	""	""	""	""	"461663432"	"118612873"	""	""	""	""	""	""	""	"2-chloro-N-[5-[3-[2-(dimethylamino)ethoxy]-4-oxopyrido[1,2-a]pyrimidin-7-yl]-2-methoxypyridin-3-yl]-4-fluorobenzenesulfonamide"	"gilmelisib"	"compound 25 [WO2015192760A1]"	"Clc1c(ccc(c1)F)S(=O)(=O)Nc1c(ncc(c1)c1ccc2n(c(=O)c(cn2)OCCN(C)C)c1)OC"	"BXKBZQAZYOZHJY-UHFFFAOYSA-N"	"InChI=1S/C24H23ClFN5O5S/c1-30(2)8-9-36-20-13-27-22-7-4-15(14-31(22)24(20)32)16-10-19(23(35-3)28-12-16)29-37(33,34)21-6-5-17(26)11-18(21)25/h4-7,10-14,29H,8-9H2,1-3H3"	""	""	""
"8708"	"gilteritinib"	""	"Synthetic organic"	"yes"	""	""	""	"252827366"	"49803313"	""	""	"CHEMBL3301622"	""	""	""	""	"6-ethyl-3-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide"	"gilteritinib"	"ASP-2215|ASP2215|Xospata&reg;"	"COc1cc(ccc1N1CCC(CC1)N1CCN(CC1)C)Nc1nc(NC2CCOCC2)c(nc1C(=O)N)CC"	"GYQYAJJFPNQOOW-UHFFFAOYSA-N"	"InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)"	""	""	""
"9624"	"gimsilumab"	""	"Antibody"	""	""	""	""	"340590254"	"0"	""	""	""	""	""	""	""	""	"gimsilumab"	"MORAb-022"	""	""	""	"yes"	""	""
"2428"	"gingerol"	""	"Natural product"	""	""	""	""	"135650304"	"442793"	""	""	"CHEMBL402978"	""	""	""	""	"(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one"	""	"6-Gingerol|[6]-Gingerol"	"CCCCC[C@@H](CC(=O)CCc1ccc(c(c1)OC)O)O"	"NLDDIKRKFXEWBK-AWEZNQCLSA-N"	"InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1"	""	""	""
"11769"	"ginisortamab"	""	"Antibody"	""	""	""	""	"458923804"	"0"	""	""	""	""	""	""	""	""	"ginisortamab"	"MP5D2_CL22A3|UCB-6114"	""	""	""	""	""	""
"1861"	"ginkgolide A"	""	"Natural product"	""	""	""	""	"135652684"	"441293"	""	""	""	""	""	""	""	"(1R,3R,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione"	""	""	"O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2)[C@H](OC3=O)C[C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C"	"FPUXKXIZEIDQKW-MSAFPSTDSA-N"	"InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11?,15+,17?,18?,19-,20-/m1/s1"	""	""	""
"1862"	"ginkgolide B"	""	"Natural product"	""	""	""	""	"135652686"	"441294"	""	""	""	""	""	""	""	"(1R,3R,8S,10R,13S,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione"	""	"BN 52021|GKB"	"O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2O)[C@H](OC3=O)C[C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C"	"SQOJOAFXDQDRGF-OOHPMXMZSA-N"	"InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9?,10?,11+,15+,17?,18?,19-,20-/m1/s1"	""	""	""
"1863"	"ginkgolide C"	""	"Natural product"	""	""	""	""	"135652687"	"441295"	""	""	""	""	""	""	""	"(1R,3R,8S,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione"	""	"BN 52022"	"O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2O)[C@H](OC3=O)[C@@H]([C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C)O"	"AMOGMTLMADGEOQ-WXQWCWKOSA-N"	"InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8?,9?,10-,11+,15+,17?,18?,19-,20-/m1/s1"	""	""	""
"1864"	"ginkgolide J"	""	"Natural product"	""	""	""	""	"135652688"	"441296"	""	""	""	""	""	""	""	"(1R,3R,8S,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione"	""	""	"O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2)[C@H](OC3=O)[C@@H]([C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C)O"	"LMEHVEUFNRJAAV-MHIVRBJNSA-N"	"InChI=1S/C20H24O10/c1-6-12(23)27-7-5-17-11-8(21)9(16(2,3)4)18(17)10(22)13(24)29-15(18)30-20(17,14(25)28-11)19(6,7)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10?,11-,15+,17?,18?,19-,20-/m1/s1"	""	""	""
"4201"	"ginkgolide X"	""	"Synthetic organic"	""	""	""	""	"178101018"	"73755085"	""	""	""	""	""	""	""	"(1S,2S,4S,5S,6R,9R,17S)-4-tert-butyl-2,6-dihydroxy-14-methyl-8,10,16-trioxapentacyclo[9.7.0.0^{1,5}.0^{5,9}.0^{13,17}]octadeca-11,13-diene-7,15-dione"	""	""	"CC1=C2C=C3O[C@H]4[C@@]5([C@@]3(C[C@@H]2OC1=O)[C@@H](O)C[C@H]5C(C)(C)C)[C@H](C(=O)O4)O"	"SPCYYGUOUYOYPX-FUDPCSHESA-N"	"InChI=1S/C20H24O7/c1-8-9-5-13-19(7-10(9)25-15(8)23)12(21)6-11(18(2,3)4)20(19)14(22)16(24)27-17(20)26-13/h5,10-12,14,17,21-22H,6-7H2,1-4H3/t10-,11-,12-,14-,17+,19-,20-/m0/s1"	""	""	""
"14513"	"ginsenoside Ra1"	""	"Natural product"	""	""	""	""	"528429834"	"100941542"	""	""	""	""	""	""	""	"(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol"	""	""	"CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@H](CO8)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)O)O)O)O)C"	"KVMXBSSOCCPAOR-WWJNHZDPSA-N"	"InChI=1S/C58H98O26/c1-24(2)10-9-14-58(8,84-52-47(74)42(69)39(66)30(81-52)22-76-49-45(72)40(67)31(23-77-49)80-50-44(71)36(63)27(62)21-75-50)25-11-16-57(7)35(25)26(61)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)82-53-48(43(70)38(65)29(20-60)79-53)83-51-46(73)41(68)37(64)28(19-59)78-51/h10,25-53,59-74H,9,11-23H2,1-8H3/t25-,26+,27+,28+,29+,30+,31-,32-,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,55-,56+,57+,58-/m0/s1"	""	""	""
"7658"	"ginsenoside Rg3"	""	"Natural product"	""	""	""	""	"223365993"	"9918693"	""	""	"CHEMBL398412"	""	""	""	""	"(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol"	""	"(20S)-ginsenoside Rg3"	"OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@](CCC=C(C)C)(O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O"	"RWXIFXNRCLMQCD-JBVRGBGGSA-N"	"InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1"	""	""	""
"1128"	"GIP-(10-30)"	""	"Peptide"	""	""	""	""	"135652166"	"155817389"	""	""	""	""	""	""	""	""	""	"gastric inhibitory polypeptide<sub>10-30</sub>|GIP<sub>10-30</sub>"	"CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC"	"VEGQOGPNPADXGF-SMTHDJNTSA-N"	"InChI=1S/C117H183N31O32S/c1-14-61(9)94(148-112(175)86(57-149)145-98(161)70(120)50-66-33-35-68(150)36-34-66)114(177)130-64(12)97(160)132-77(43-47-181-13)103(166)143-84(54-91(155)156)109(172)133-72(30-21-23-44-118)104(167)147-95(62(10)15-2)115(178)136-73(32-25-46-127-117(125)126)99(162)134-75(38-41-88(122)152)100(163)135-76(39-42-89(123)153)102(165)142-85(55-92(157)158)110(173)140-81(51-65-26-17-16-18-27-65)111(174)146-93(60(7)8)113(176)144-83(53-90(124)154)108(171)141-82(52-67-56-128-71-29-20-19-28-69(67)71)107(170)139-80(49-59(5)6)106(169)138-79(48-58(3)4)105(168)129-63(11)96(159)131-74(37-40-87(121)151)101(164)137-78(116(179)180)31-22-24-45-119/h16-20,26-29,33-36,56,58-64,70,72-86,93-95,128,149-150H,14-15,21-25,30-32,37-55,57,118-120H2,1-13H3,(H2,121,151)(H2,122,152)(H2,123,153)(H2,124,154)(H,129,168)(H,130,177)(H,131,159)(H,132,160)(H,133,172)(H,134,162)(H,135,163)(H,136,178)(H,137,164)(H,138,169)(H,139,170)(H,140,173)(H,141,171)(H,142,165)(H,143,166)(H,144,176)(H,145,161)(H,146,174)(H,147,167)(H,148,175)(H,155,156)(H,157,158)(H,179,180)(H4,125,126,127)/t61-,62-,63-,64-,70-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,93-,94-,95-/m0/s1"	""	""	""
"1129"	"GIP-(6-30)-amide"	""	"Peptide"	""	""	""	""	"135652167"	"155817390"	""	""	""	""	""	""	""	""	""	"gastric inhibitory polypeptide<sub>6-30 amide</sub>|GIP<sub>6-30 amide</sub>"	"CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC"	"RWSULNVYKILTIY-YQRZJRGOSA-N"	"InChI=1S/C139H208N34O39S/c1-16-72(10)112(173-134(206)103(67-175)168-125(197)94(57-79-39-41-82(176)42-40-79)160-131(203)101(63-110(185)186)165-133(205)102(66-174)169-138(210)113(73(11)17-2)171-117(189)84(142)55-77-31-21-19-22-32-77)136(208)151-76(14)116(188)153-90(49-52-213-15)121(193)164-99(61-108(181)182)129(201)154-86(37-27-29-50-140)122(194)172-114(74(12)18-3)137(209)166-97(59-81-65-147-68-149-81)127(199)156-88(44-47-105(144)178)118(190)155-89(45-48-106(145)179)120(192)163-100(62-109(183)184)130(202)161-95(56-78-33-23-20-24-34-78)132(204)170-111(71(8)9)135(207)167-98(60-107(146)180)128(200)162-96(58-80-64-148-85-36-26-25-35-83(80)85)126(198)159-93(54-70(6)7)124(196)158-92(53-69(4)5)123(195)150-75(13)115(187)152-87(43-46-104(143)177)119(191)157-91(139(211)212)38-28-30-51-141/h19-26,31-36,39-42,64-65,68-76,84,86-103,111-114,148,174-176H,16-18,27-30,37-38,43-63,66-67,140-142H2,1-15H3,(H2,143,177)(H2,144,178)(H2,145,179)(H2,146,180)(H,147,149)(H,150,195)(H,151,208)(H,152,187)(H,153,188)(H,154,201)(H,155,190)(H,156,199)(H,157,191)(H,158,196)(H,159,198)(H,160,203)(H,161,202)(H,162,200)(H,163,192)(H,164,193)(H,165,205)(H,166,209)(H,167,207)(H,168,197)(H,169,210)(H,170,204)(H,171,189)(H,172,194)(H,173,206)(H,181,182)(H,183,184)(H,185,186)(H,211,212)/t72-,73-,74-,75-,76-,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,111-,112-,113-,114-/m0/s1"	""	""	""
"1130"	"GIP-(7-30)"	""	"Peptide"	""	""	""	""	"135652168"	"0"	""	""	""	""	""	""	""	""	""	"gastric inhibitory polypeptide<sub>7-30</sub>|GIP<sub>7-30</sub>"	""	""	""	""	""	""
"12715"	"giredestrant"	""	"Synthetic organic"	""	""	""	""	"483123263"	"121410806"	""	""	"CHEMBL4650316"	""	""	""	""	"3-[(1R,3R)-1-[2,6-difluoro-4-[[1-(3-fluoropropyl)azetidin-3-yl]amino]phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol"	"giredestrant"	"compound 35 [PMID: 34251202]|GDC-9545|GDC9545|RG-6171|RG6171|RO-7197597|RO7197597"	"OCC(F)(F)CN1[C@@H](CC2=C([C@H]1C3=C(F)C=C(NC4CN(CCCF)C4)C=C3F)NC5=CC=CC=C25)C"	"GQCXHIKRWBIQMD-AKJBCIBTSA-N"	"InChI=1S/C27H31F5N4O/c1-16-9-20-19-5-2-3-6-23(19)34-25(20)26(36(16)14-27(31,32)15-37)24-21(29)10-17(11-22(24)30)33-18-12-35(13-18)8-4-7-28/h2-3,5-6,10-11,16,18,26,33-34,37H,4,7-9,12-15H2,1H3/t16-,26-/m1/s1"	""	""	""
"7987"	"girentuximab"	""	"Antibody"	""	""	""	""	"249565668"	"0"	""	""	""	""	""	""	""	""	"girentuximab"	"cG250|G250|Rencarex&reg; (proposed proprietary name)|WX-G250"	""	""	""	""	""	""
"13208"	"girocitinib"	""	"Synthetic organic"	""	""	""	""	"491299990"	"139412850"	""	""	""	""	""	""	""	""	"girocitinib"	"Example 4 [US10738060]"	"O[C@H](C)C1=NC=2C(=C3C(=NC2)C=CO3)N1[C@H]4CC[C@@H](OC4)CC#N"	"ZFQNHUSKKDBFHY-GRYCIOLGSA-N"	"InChI=1S/C17H18N4O3/c1-10(22)17-20-14-8-19-13-5-7-23-16(13)15(14)21(17)11-2-3-12(4-6-18)24-9-11/h5,7-8,10-12,22H,2-4,9H2,1H3/t10-,11+,12-/m1/s1"	""	""	""
"6558"	"gisadenafil"	""	"Synthetic organic"	""	""	""	""	"178103172"	"135536943"	""	""	"CHEMBL1928262"	""	""	""	""	"5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-3-yl]-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[3,4-e]pyrimidin-7-one"	"gisadenafil"	"UK 369003|UK-369003"	"COCCn1nc2c(c1CC)[nH]c(nc2=O)c1cc(cnc1OCC)S(=O)(=O)N1CCN(CC1)CC"	"YPFZMBHKIVDSNR-UHFFFAOYSA-N"	"InChI=1S/C23H33N7O5S/c1-5-18-19-20(27-30(18)12-13-34-4)22(31)26-21(25-19)17-14-16(15-24-23(17)35-7-3)36(32,33)29-10-8-28(6-2)9-11-29/h14-15H,5-13H2,1-4H3,(H,25,26,31)"	""	""	""
"9112"	"GIV3727"	""	"Synthetic organic"	""	""	""	""	"315661197"	"25099817"	""	""	""	""	""	""	""	"4-(2,2,3-trimethylcyclopentyl)butanoic acid"	""	""	"CC1CCC(C1(C)C)CCCC(=O)O"	"LYFXCRCUENNESS-UHFFFAOYSA-N"	"InChI=1S/C12H22O2/c1-9-7-8-10(12(9,2)3)5-4-6-11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)"	""	""	""
"7490"	"givinostat"	""	"Synthetic organic"	"yes"	""	""	""	"187051793"	"9804992"	""	""	"CHEMBL1213492"	""	""	""	""	"[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[4-(hydroxycarbamoyl)phenyl]carbamate"	"givinostat"	"Duvyzat&reg;|gavinostat|ITF-2357|ITF2357"	"CCN(Cc1ccc2c(c1)ccc(c2)COC(=O)Nc1ccc(cc1)C(=O)NO)CC"	"YALNUENQHAQXEA-UHFFFAOYSA-N"	"InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)"	""	""	""
"13614"	"givosiran"	""	"Nucleic acid"	"yes"	""	""	""	"504705433"	"0"	""	""	"CHEMBL4594265"	""	""	""	""	""	"givosiran"	"ALN-AS1|Givlaari&reg;"	""	""	""	""	""	""
"14087"	"GJG057"	""	"Synthetic organic"	""	""	""	""	"518520714"	"162778515"	""	""	""	""	""	""	""	"1-(3,4-difluorophenyl)-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one"	""	"compound 1 [PMID: 39960261]|GJG-057"	"C1CC(=O)N(C2(C1)CCN(CC2)C3=CC(=NC=N3)OCC(F)(F)F)C4=CC(=C(C=C4)F)F"	"AQDBIXQGLAUSIM-UHFFFAOYSA-N"	"InChI=1S/C21H21F5N4O2/c22-15-4-3-14(10-16(15)23)30-19(31)2-1-5-20(30)6-8-29(9-7-20)17-11-18(28-13-27-17)32-12-21(24,25)26/h3-4,10-11,13H,1-2,5-9,12H2"	""	""	""
"9935"	"GKT136901"	""	"Synthetic organic"	""	""	""	""	"363894229"	"17027464"	""	""	"CHEMBL1276946"	""	""	""	""	"2-(2-chlorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione"	""	"compound 67 [PMID: 20942471]|GKT 136901|GKT-136901"	"Clc1ccccc1n1[nH]c2c(c1=O)c(C)n(c(=O)c2)Cc1ccccn1"	"DNKYHHFCPXKFIY-UHFFFAOYSA-N"	"InChI=1S/C19H15ClN4O2/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20/h2-10,22H,11H2,1H3"	""	""	""
"14650"	"GL-4512"	""	"Synthetic organic"	""	""	""	""	"530846898"	"47091220"	""	""	""	""	""	""	""	"4-methyl-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide"	""	""	"C=1(C=2SC(C(=O)NC=3C=CC(CN4CCSCC4)=CC3C)=C(C)N2)N=CC=CN1"	"OQNYQZOKDJIWIK-UHFFFAOYSA-N"	"InChI=1S/C21H23N5OS2/c1-14-12-16(13-26-8-10-28-11-9-26)4-5-17(14)25-20(27)18-15(2)24-21(29-18)19-22-6-3-7-23-19/h3-7,12H,8-11,13H2,1-2H3,(H,25,27)"	"yes"	""	""
"8201"	"glasdegib"	""	"Synthetic organic"	"yes"	""	""	""	"249565881"	"25166913"	""	""	"CHEMBL2043437"	""	""	""	""	"1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea"	"glasdegib"	"Daurismo&reg;|PF 04449913|PF-04449913"	"N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C"	"SFNSLLSYNZWZQG-VQIMIIECSA-N"	"InChI=1S/C21H22N6O/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20/h2-9,16,19H,10-12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1"	""	""	""
"866"	"Glaxo-11p"	""	"Synthetic organic"	""	""	""	""	"135650305"	"10348659"	""	""	"CHEMBL1184355"	""	""	""	""	"N-(4-dimethylaminophenyl)-2-[2,4-dioxo-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]-N-propan-2-ylacetamide"	""	""	"O=C(NC1C(=O)N(c2ccccc2)c2c(N(C1=O)CC(=O)N(c1ccc(cc1)N(C)C)C(C)C)cccc2)Nc1ccccc1"	"GESRVUYUMYPJBC-UHFFFAOYSA-N"	"InChI=1S/C35H36N6O4/c1-24(2)40(28-21-19-26(20-22-28)38(3)4)31(42)23-39-29-17-11-12-18-30(29)41(27-15-9-6-10-16-27)34(44)32(33(39)43)37-35(45)36-25-13-7-5-8-14-25/h5-22,24,32H,23H2,1-4H3,(H2,36,37,45)"	""	""	""
"5807"	"GlaxoSmithKline compound 5h [PMID:20542694]"	""	"Synthetic organic"	""	""	""	""	"178102432"	"46911435"	""	""	"CHEMBL1169909"	""	""	""	""	"1-(4-pentylphenyl)-3-[2-(2-propan-2-ylphenyl)-1-benzofuran-7-yl]urea"	""	""	"CCCCCc1ccc(cc1)NC(=O)Nc1cccc2c1oc(c2)c1ccccc1C(C)C"	"ASCJIAKBYVUVNZ-UHFFFAOYSA-N"	"InChI=1S/C29H32N2O2/c1-4-5-6-10-21-15-17-23(18-16-21)30-29(32)31-26-14-9-11-22-19-27(33-28(22)26)25-13-8-7-12-24(25)20(2)3/h7-9,11-20H,4-6,10H2,1-3H3,(H2,30,31,32)"	""	""	""
"5806"	"GlaxoSmithKline compound 6i [PMID:18926700]"	""	"Synthetic organic"	""	""	""	""	"178102431"	"73755157"	""	""	""	""	""	""	""	"[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,5-dichlorophenyl)methanone"	""	""	"CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2c(N1C(=O)c1cc(Cl)cc(c1)Cl)cccc2"	"DKLLTFTXYHJXHK-OAEOJWKDSA-N"	"InChI=1S/C25H24Cl2N2O/c1-3-22-16(2)24(28-20-9-5-4-6-10-20)21-11-7-8-12-23(21)29(22)25(30)17-13-18(26)15-19(27)14-17/h4-16,22,24,28H,3H2,1-2H3/t16-,22-,24+/m1/s1"	""	""	""
"9483"	"GlcC14C18"	""	"Synthetic organic"	""	""	""	""	"329968423"	"124221653"	""	""	""	""	""	""	""	"[(3S,6R)-3,5,6-trihydroxyoxan-2-yl]methyl 2-tridecylheptadecanoate"	""	"6-O-(2'(R,S)-tetradecyloctadecanoyl)-D-glucose"	"CCCCCCCCCCCCCCCC(C(=O)OCC1O[C@@H](O)C(C[C@@H]1O)O)CCCCCCCCCCCCC"	"HOINWSFARNFWIP-IGIMWDRYSA-N"	"InChI=1S/C36H70O6/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-31(27-25-23-21-19-17-14-12-10-8-6-4-2)35(39)41-30-34-32(37)29-33(38)36(40)42-34/h31-34,36-38,40H,3-30H2,1-2H3/t31?,32-,33?,34?,36+/m0/s1"	"yes"	""	""
"11267"	"glecaprevir"	""	"Synthetic organic"	"yes"	""	""	""	"434321702"	"66828839"	""	""	"CHEMBL3545363"	""	""	""	""	""	"glecaprevir"	"ABT-493|ABT493|Maviret&reg;|Mavyret&reg; (glecaprevir + pibrentasvir)"	"O=C1O[C@@H]2CCC[C@H]2OC/C=C/C(F)(F)c2c(O[C@H]3CN(C(=O)[C@@H](N1)C(C)(C)C)[C@@H](C3)C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)nc1c(n2)cccc1"	"MLSQGNCUYAMAHD-ITNVBOSISA-N"	"InChI=1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1"	""	""	""
"14394"	"glecirasib"	""	"Synthetic organic"	"yes"	""	""	""	"523352186"	"157827766"	""	""	"CHEMBL5314518"	""	""	""	""	"7-(2-amino-3,4,5,6-tetrafluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile"	"glecirasib"	"Erica&reg; (China)"	"CC1=C(C(=NC=C1)C(C)C)N2C3=NC(=C(C=C3C(=C(C2=O)C#N)N4CCN(CC4)C(=O)C=C)Cl)C5=C(C(=C(C(=C5F)F)F)F)N"	"QRRJEUIQLZNPIO-UHFFFAOYSA-N"	"InChI=1S/C31H26ClF4N7O2/c1-5-19(44)41-8-10-42(11-9-41)29-16-12-18(32)27(20-21(33)22(34)23(35)24(36)25(20)38)40-30(16)43(31(45)17(29)13-37)28-15(4)6-7-39-26(28)14(2)3/h5-7,12,14H,1,8-11,38H2,2-4H3"	""	""	""
"186"	"glemanserin"	""	"Synthetic organic"	""	""	""	""	"135650574"	"71781"	""	""	"CHEMBL18972"	""	""	""	""	"phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol"	"glemanserin"	"Mdl 11939|MDL-11,939|MDL-11939"	"OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1"	"AXNGJCOYCMDPQG-UHFFFAOYSA-N"	"InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2"	""	""	""
"8926"	"glembatumumab vedotin"	""	"Antibody"	""	""	""	""	"310264707"	"0"	""	""	""	""	""	""	""	""	"glembatumumab vedotin"	"CDX-011|CR011-vcMMAE"	""	""	""	""	""	""
"10885"	"glepaglutide"	""	"Peptide"	""	""	""	""	"405560326"	"146170995"	""	""	""	""	""	""	""	""	"glepaglutide"	"Zeydovio&reg;|ZP-1848|ZP1848"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CC(=O)O)[C@H](O)C)[C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1nc[nH]c1)N)CCC(=O)O)Cc1ccccc1)CO)CO)CCC(=O)O)CC(C)C)C)CC(C)C)CC(=O)O)C)CC(C)C)C)C)CCCN=C(N)N)CC(=O)O)Cc1ccccc1)C)CC(C)C)C"	"DOAUQKRTILFGHV-PDCMDPCFSA-N"	"InChI=1S/C197H325N53O55/c1-27-102(13)152(190(299)220-111(22)166(275)248-157(113(24)254)194(303)230-129(66-45-52-78-204)176(285)244-155(105(16)30-4)192(301)250-158(114(25)255)195(304)240-142(90-151(267)268)183(292)228-128(65-44-51-77-203)173(282)227-127(64-43-50-76-202)172(281)226-126(63-42-49-75-201)171(280)225-125(62-41-48-74-200)170(279)224-124(61-40-47-73-199)169(278)222-123(160(206)269)60-39-46-72-198)245-185(294)136(83-101(11)12)234-182(291)139(86-118-91-211-122-59-38-37-58-120(118)122)232-164(273)109(20)219-189(298)153(103(14)28-2)246-186(295)138(85-117-56-35-32-36-57-117)235-184(293)141(89-150(265)266)236-174(283)130(67-53-79-210-197(207)208)223-162(271)107(18)215-161(270)106(17)216-177(286)133(80-98(5)6)231-163(272)108(19)217-179(288)140(88-149(263)264)237-180(289)135(82-100(9)10)238-191(300)154(104(15)29-3)247-196(305)159(115(26)256)249-165(274)110(21)218-178(287)134(81-99(7)8)233-175(284)132(69-71-148(261)262)229-187(296)143(95-251)242-188(297)144(96-252)241-181(290)137(84-116-54-33-31-34-55-116)239-193(302)156(112(23)253)243-146(258)94-213-168(277)131(68-70-147(259)260)221-145(257)93-212-167(276)121(205)87-119-92-209-97-214-119/h31-38,54-59,91-92,97-115,121,123-144,152-159,211,251-256H,27-30,39-53,60-90,93-96,198-205H2,1-26H3,(H2,206,269)(H,209,214)(H,212,276)(H,213,277)(H,215,270)(H,216,286)(H,217,288)(H,218,287)(H,219,298)(H,220,299)(H,221,257)(H,222,278)(H,223,271)(H,224,279)(H,225,280)(H,226,281)(H,227,282)(H,228,292)(H,229,296)(H,230,303)(H,231,272)(H,232,273)(H,233,284)(H,234,291)(H,235,293)(H,236,283)(H,237,289)(H,238,300)(H,239,302)(H,240,304)(H,241,290)(H,242,297)(H,243,258)(H,244,285)(H,245,294)(H,246,295)(H,247,305)(H,248,275)(H,249,274)(H,250,301)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H4,207,208,210)/t102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112+,113+,114+,115+,121-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,152-,153-,154-,155-,156-,157-,158-,159-/m0/s1"	""	""	""
"9133"	"glesatinib"	""	"Synthetic organic"	""	""	""	""	"315661218"	"25181472"	""	""	"CHEMBL3989914"	""	""	""	""	"N-[[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide"	"glesatinib"	"compound 10a [PMID: 18434145]|MGCD 265|MGCD-265|MGCD265"	"COCCNCc1cnc(cc1)c1cc2nccc(c2s1)Oc1c(cc(cc1)NC(=S)NC(=O)Cc1ccc(cc1)F)F"	"YRCHYHRCBXNYNU-UHFFFAOYSA-N"	"InChI=1S/C31H27F2N5O3S2/c1-40-13-12-34-17-20-4-8-24(36-18-20)28-16-25-30(43-28)27(10-11-35-25)41-26-9-7-22(15-23(26)33)37-31(42)38-29(39)14-19-2-5-21(32)6-3-19/h2-11,15-16,18,34H,12-14,17H2,1H3,(H2,37,38,39,42)"	""	""	""
"2414"	"glibenclamide"	""	"Synthetic organic"	"yes"	""	""	""	"135650306"	"3488"	""	""	"CHEMBL472"	""	""	""	""	"5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide"	"glibenclamide"	"Amglidia&reg;|Diabeta&reg;|glyburide|Glynase&reg;"	"COc1ccc(cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)Cl"	"ZNNLBTZKUZBEKO-UHFFFAOYSA-N"	"InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)"	"yes"	""	""
"6820"	"glimepiride"	""	"Synthetic organic"	"yes"	""	""	""	"178103426"	"3476"	""	""	"CHEMBL1481"	""	""	""	""	"3-ethyl-4-methyl-2-oxo-N-(2-{4-[({[(1r,4r)-4-methylcyclohexyl]carbamoyl}amino)sulfonyl]phenyl}ethyl)-2,5-dihydro-1H-pyrrole-1-carboxamide"	"glimepiride"	"Amaryl&reg;|glimepride|HOE-490|Sugral&reg;"	"CCC1=C(C)CN(C1=O)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)N[C@@H]1CC[C@H](CC1)C"	"WIGIZIANZCJQQY-RUCARUNLSA-N"	"InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19-"	""	""	""
"6821"	"glipizide"	""	"Synthetic organic"	"yes"	""	""	""	"178103427"	"3478"	""	""	"CHEMBL1073"	""	""	""	""	"N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]-5-methylpyrazine-2-carboxamide"	"glipizide"	"CP-28720|Glucotrol&reg;|K-4024"	"Cc1ncc(nc1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1"	"ZJJXGWJIGJFDTL-UHFFFAOYSA-N"	"InChI=1S/C21H27N5O4S/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28)"	""	""	""
"1169"	"[Gln<sup>8</sup>]GnRH"	""	"Peptide"	""	""	""	""	"135652169"	"123777"	""	""	""	""	""	""	""	""	""	"chicken GnRH"	"CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O"	"WPKQYFUSPONRAT-BXXNOCLASA-N"	"InChI=1S/C54H71N15O14/c1-28(2)18-37(49(78)64-36(13-15-43(55)72)54(83)69-17-5-8-42(69)53(82)59-24-44(56)73)63-46(75)25-60-47(76)38(19-29-9-11-32(71)12-10-29)65-52(81)41(26-70)68-50(79)39(20-30-22-58-34-7-4-3-6-33(30)34)66-51(80)40(21-31-23-57-27-61-31)67-48(77)35-14-16-45(74)62-35/h3-4,6-7,9-12,22-23,27-28,35-42,58,70-71H,5,8,13-21,24-26H2,1-2H3,(H2,55,72)(H2,56,73)(H,57,61)(H,59,82)(H,60,76)(H,62,74)(H,63,75)(H,64,78)(H,65,81)(H,66,80)(H,67,77)(H,68,79)/t35-,36-,37-,38-,39-,40-,41-,42-/m0/s1"	""	""	""
"3727"	"globular adiponectin"	"Human"	"Peptide"	""	""	""	""	"135651749"	"0"	"Q15848"	"ENSG00000181092"	""	""	""	""	""	""	""	"gAdipo|gelatin-binding protein"	""	""	""	""	""	""
"12758"	"glofitamab"	""	"Antibody"	"yes"	""	""	""	"483123306"	"0"	""	""	""	""	""	""	""	""	"glofitamab"	"CD20-TCB (2:1)|Columvi&reg;|glofitamab-gxbm|RG-6026|RG6026"	""	""	""	""	""	""
"13232"	"glovadalen"	""	"Synthetic organic"	""	""	""	""	"491300014"	"155460962"	""	""	""	""	""	""	""	"2-(3,5-dichloro-1-methylindazol-4-yl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone"	"glovadalen"	""	"ClC1=NN(C2=CC=C(C(=C12)CC(=O)N3[C@H](C4=CC=CC(=C4C[C@@H]3CO)C(C)(C)O)C)Cl)C"	"SVTDEVFVOSMAQQ-UONOGXRCSA-N"	"InChI=1S/C24H27Cl2N3O3/c1-13-15-6-5-7-18(24(2,3)32)16(15)10-14(12-30)29(13)21(31)11-17-19(25)8-9-20-22(17)23(26)27-28(20)4/h5-9,13-14,30,32H,10-12H2,1-4H3/t13-,14+/m0/s1"	""	""	""
"10880"	"gloximonam"	""	"Synthetic organic"	""	""	""	""	"405560321"	"5492073"	""	""	"CHEMBL2107413"	""	""	""	""	"tert-butyl 2-[2-[(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-methyl-4-oxoazetidin-1-yl]oxyacetyl]oxyacetate"	"gloximonam"	"SQ 82,531"	"CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]1[C@H](C)N(C1=O)OCC(=O)OCC(=O)OC(C)(C)C"	"QPWVHJDIDXILDG-SSUKDTCJSA-N"	"InChI=1S/C18H25N5O8S/c1-9-13(21-15(26)14(22-28-5)10-8-32-17(19)20-10)16(27)23(9)30-7-11(24)29-6-12(25)31-18(2,3)4/h8-9,13H,6-7H2,1-5H3,(H2,19,20)(H,21,26)/b22-14-/t9-,13-/m0/s1"	""	""	"yes"
"6524"	"GLP-1-(9-36)"	""	"Peptide"	""	""	""	""	"178103138"	"155817497"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C"	"WPNGPBPCQMDAAD-WRFZDFFOSA-N"	"InChI=1S/C140H214N36O43/c1-16-72(10)112(137(217)155-75(13)118(198)162-97(59-81-61-149-85-35-24-23-34-83(81)85)127(207)164-93(55-69(4)5)128(208)173-110(70(6)7)135(215)161-87(36-25-27-51-141)120(200)151-62-103(184)156-86(115(145)195)38-29-53-148-140(146)147)175-129(209)95(56-78-30-19-17-20-31-78)165-124(204)91(46-50-108(191)192)160-123(203)88(37-26-28-52-142)158-117(197)74(12)153-116(196)73(11)154-122(202)90(44-47-102(144)183)157-104(185)63-152-121(201)89(45-49-107(189)190)159-125(205)92(54-68(2)3)163-126(206)94(58-80-39-41-82(182)42-40-80)166-132(212)99(65-177)169-134(214)101(67-179)170-136(216)111(71(8)9)174-131(211)98(60-109(193)194)167-133(213)100(66-178)171-139(219)114(77(15)181)176-130(210)96(57-79-32-21-18-22-33-79)168-138(218)113(76(14)180)172-105(186)64-150-119(199)84(143)43-48-106(187)188/h17-24,30-35,39-42,61,68-77,84,86-101,110-114,149,177-182H,16,25-29,36-38,43-60,62-67,141-143H2,1-15H3,(H2,144,183)(H2,145,195)(H,150,199)(H,151,200)(H,152,201)(H,153,196)(H,154,202)(H,155,217)(H,156,184)(H,157,185)(H,158,197)(H,159,205)(H,160,203)(H,161,215)(H,162,198)(H,163,206)(H,164,207)(H,165,204)(H,166,212)(H,167,213)(H,168,218)(H,169,214)(H,170,216)(H,171,219)(H,172,186)(H,173,208)(H,174,211)(H,175,209)(H,176,210)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H4,146,147,148)/t72-,73-,74-,75-,76+,77+,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,110-,111-,112-,113-,114-/m0/s1"	""	""	""
"1139"	"GLP-2-(1-29) (rat)"	""	"Peptide"	""	""	""	""	"135652170"	"155817392"	""	""	""	""	""	""	""	""	""	"GLP-2 (1-29) (rat)|rat glucagon-like peptide 2 (1-29)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)CC"	"HWWYRXSEACCADD-IUWMYHKYSA-N"	"InChI=1S/C146H221N39O49S/c1-19-68(10)112(140(228)165-84(38-40-102(148)191)125(213)185-117(75(17)190)145(233)234)180-135(223)89(47-67(8)9)168-129(217)92(50-78-59-156-82-36-29-28-35-80(78)82)171-131(219)94(53-104(150)193)178-141(229)113(69(11)20-2)181-136(224)91(49-77-33-26-23-27-34-77)169-133(221)98(57-110(202)203)174-122(210)83(37-30-43-155-146(152)153)164-143(231)115(73(15)188)183-119(207)72(14)160-126(214)87(45-65(4)5)167-130(218)93(52-103(149)192)173-134(222)99(58-111(204)205)175-127(215)88(46-66(6)7)177-142(230)114(70(12)21-3)182-144(232)116(74(16)189)184-137(225)95(54-105(151)194)172-124(212)86(42-44-235-18)163-123(211)85(39-41-107(196)197)162-132(220)97(56-109(200)201)176-139(227)101(63-187)179-128(216)90(48-76-31-24-22-25-32-76)170-138(226)100(62-186)161-106(195)61-157-121(209)96(55-108(198)199)166-118(206)71(13)159-120(208)81(147)51-79-60-154-64-158-79/h22-29,31-36,59-60,64-75,81,83-101,112-117,156,186-190H,19-21,30,37-58,61-63,147H2,1-18H3,(H2,148,191)(H2,149,192)(H2,150,193)(H2,151,194)(H,154,158)(H,157,209)(H,159,208)(H,160,214)(H,161,195)(H,162,220)(H,163,211)(H,164,231)(H,165,228)(H,166,206)(H,167,218)(H,168,217)(H,169,221)(H,170,226)(H,171,219)(H,172,212)(H,173,222)(H,174,210)(H,175,215)(H,176,227)(H,177,230)(H,178,229)(H,179,216)(H,180,223)(H,181,224)(H,182,232)(H,183,207)(H,184,225)(H,185,213)(H,196,197)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,233,234)(H4,152,153,155)/t68-,69-,70-,71-,72-,73+,74+,75+,81-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,112-,113-,114-,115-,116-,117-/m0/s1"	""	""	""
"9896"	"GLP-2 analogue 10"	""	"Peptide"	""	""	""	""	"363894190"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"2980"	"GLPDGG peptide [PMID: 20494585]"	""	"Peptide"	""	""	""	""	"135649778"	"44452237"	""	""	"CHEMBL412295"	""	""	""	""	"(3S)-3-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-({[(carboxymethyl)carbamoyl]methyl}carbamoyl)propanoic acid"	""	""	"NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)O)CC(=O)O)CC(C)C"	"SKODABHETMRRBC-IHRRRGAJSA-N"	"InChI=1S/C21H34N6O9/c1-11(2)6-13(25-15(28)8-22)21(36)27-5-3-4-14(27)20(35)26-12(7-17(30)31)19(34)24-9-16(29)23-10-18(32)33/h11-14H,3-10,22H2,1-2H3,(H,23,29)(H,24,34)(H,25,28)(H,26,35)(H,30,31)(H,32,33)/t12-,13-,14-/m0/s1"	""	""	""
"8417"	"GLPG0974"	""	"Synthetic organic"	""	""	""	""	"252166627"	"57520598"	""	""	""	""	""	""	""	"4-[[(2R)-1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-[(3-chlorophenyl)methyl]amino]butanoic acid"	""	"compound 99 [PMID 25380412]"	"OC(=O)CCCN(C(=O)[C@@]1(C)CCN1C(=O)c1csc2c1cccc2)Cc1cccc(c1)Cl"	"MPMKMQHJHDHPBE-RUZDIDTESA-N"	"InChI=1S/C25H25ClN2O4S/c1-25(11-13-28(25)23(31)20-16-33-21-9-3-2-8-19(20)21)24(32)27(12-5-10-22(29)30)15-17-6-4-7-18(26)14-17/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,29,30)/t25-/m1/s1"	"yes"	""	""
"10171"	"GLPG1205"	""	"Synthetic organic"	""	""	""	""	"381118881"	"71616860"	""	""	""	""	""	""	""	"9-(2-cyclopropylethynyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one"	""	"compound 122 [WO2013092791A1]|GLPG-1205"	"O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1c2ccc(c1)C#CC1CC1"	"IRBAWVGZNJIROV-SFHVURJKSA-N"	"InChI=1S/C22H22N2O4/c25-22-23-21(28-14-18-13-26-9-10-27-18)12-20-19-6-5-16(4-3-15-1-2-15)11-17(19)7-8-24(20)22/h5-6,11-12,15,18H,1-2,7-10,13-14H2/t18-/m0/s1"	"yes"	""	""
"12735"	"GLPG1837"	""	"Synthetic organic"	""	""	""	""	"483123283"	"117857370"	""	""	"CHEMBL4075348"	""	""	""	""	"N-(3-carbamoyl-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-5-carboxamide"	""	"ABBV-974|ABBV974|GLP-1837|GLPG-1837"	"CC1(C)OC(C)(C)C=2SC(NC(C3=NNC=C3)=O)=C(C(N)=O)C2C1"	"GHTGYZMBQPXTCQ-UHFFFAOYSA-N"	"InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22)"	""	""	""
"12510"	"GLPG2534"	""	"Synthetic organic"	""	""	""	""	"479821300"	"129053583"	""	""	""	""	""	""	""	"6-[6-[2-(2-hydroxyethoxy)ethoxy]-5-(oxan-4-ylamino)imidazo[4,5-b]pyridin-3-yl]pyridine-3-carbonitrile"	""	"GLPG-2534"	"OCCOCCOC1=CC2=C(N=C1NC3CCOCC3)N(C=N2)C4=CC=C(C=N4)C#N"	"VNAPWQDUDZCVCA-UHFFFAOYSA-N"	"InChI=1S/C21H24N6O4/c22-12-15-1-2-19(23-13-15)27-14-24-17-11-18(31-10-9-30-8-5-28)20(26-21(17)27)25-16-3-6-29-7-4-16/h1-2,11,13-14,16,28H,3-10H2,(H,25,26)"	""	""	""
"13290"	"GLPG2737"	""	"Synthetic organic"	""	""	""	""	"496703260"	"126742266"	""	""	""	""	""	""	""	"3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyridine-6-carboxamide"	""	"compound 52 [PMID:  38527911]|GLPG-2737"	"COC1CCN(CC1)C2CCN(CC2)C3=CC(=NC=4N(N=C(C34)C5CCC5)C6=CC=C(C=C6)F)C(=O)NS(=O)(=O)N(C)C"	"JPIAJLPRTOWAEC-UHFFFAOYSA-N"	"InChI=1S/C30H40FN7O4S/c1-35(2)43(40,41)34-30(39)25-19-26(37-15-11-22(12-16-37)36-17-13-24(42-3)14-18-36)27-28(20-5-4-6-20)33-38(29(27)32-25)23-9-7-21(31)8-10-23/h7-10,19-20,22,24H,4-6,11-18H2,1-3H3,(H,34,39)"	""	""	""
"13303"	"GLPG3312"	""	"Synthetic organic"	""	""	""	""	"496703273"	"151447433"	""	""	""	""	""	""	""	"N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide"	""	"compound 28 [PMID: 38147525]|GLPG-3312"	"COC1=CC(=CC(OC(F)F)=C1C(=O)NC2CC2)N3C=NC4=CC(=CC=C34)C=5C=NN(C)C5"	"PFTXFNSHFZLJNT-UHFFFAOYSA-N"	"InChI=1S/C23H21F2N5O3/c1-29-11-14(10-27-29)13-3-6-18-17(7-13)26-12-30(18)16-8-19(32-2)21(20(9-16)33-23(24)25)22(31)28-15-4-5-15/h3,6-12,15,23H,4-5H2,1-2H3,(H,28,31)"	""	""	""
"12157"	"GLPG3970"	""	"Synthetic organic"	""	""	""	""	"472319279"	"146273261"	""	""	"CHEMBL4802154"	""	""	""	""	"8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one"	""	"compound 32 [PMID: 38552030]|compound 88 [WO2019238424A1]|GLPG-3970"	"COc1cc(cc2c1C(=O)N(CC2)CC(F)(F)F)c1cnc2n1ccc(c2)OCCN1CCOCC1"	"XASOHFCUIQARJT-UHFFFAOYSA-N"	"InChI=1S/C25H27F3N4O4/c1-34-21-13-18(12-17-2-4-31(16-25(26,27)28)24(33)23(17)21)20-15-29-22-14-19(3-5-32(20)22)36-11-8-30-6-9-35-10-7-30/h3,5,12-15H,2,4,6-11,16H2,1H3"	"yes"	""	""
"11617"	"GLPG4716"	""	"Synthetic organic"	""	""	""	""	"442878651"	"126642132"	""	""	""	""	""	""	""	"3-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine"	""	"compound 9 [PMID: 33078933]"	"C[C@@H]1OC[C@@H](N(C1)C1CCN(CC1)c1nnc([nH]1)N)Cc1ccc(cc1)Cl"	"STWVLEKJQQRGMO-GUYCJALGSA-N"	"InChI=1S/C19H27ClN6O/c1-13-11-26(17(12-27-13)10-14-2-4-15(20)5-3-14)16-6-8-25(9-7-16)19-22-18(21)23-24-19/h2-5,13,16-17H,6-12H2,1H3,(H3,21,22,23,24)/t13-,17-/m0/s1"	""	""	""
"1136"	"glucagon"	"Human, Mouse, Rat"	"Peptide"	"yes"	""	""	""	"135651778"	"44278361"	"P06883|P01275|P55095"	"ENSMUSG00000000394|ENSG00000115263"	"CHEMBL266481"	""	""	""	""	""	"glucagon"	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CC(=O)N)CCSC)CC(C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)C(C)C)Cc1ccccc1)CC(=O)O)CCC(=O)N)C)CCCN=C(N)N)CCCN=C(N)N)CO)CC(=O)O)CC(C)C)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)N)CO)CCC(=O)N)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO"	"MASNOZXLGMXCHN-ZLPAWPGGSA-N"	"InChI=1S/C153H225N43O49S/c1-72(2)52-97(133(226)176-96(47-51-246-11)132(225)184-104(60-115(159)209)143(236)196-123(78(10)203)151(244)245)179-137(230)103(58-83-64-167-89-29-19-18-28-87(83)89)183-131(224)95(43-46-114(158)208)177-148(241)120(74(5)6)194-141(234)101(54-79-24-14-12-15-25-79)182-138(231)105(61-117(211)212)185-130(223)94(42-45-113(157)207)171-124(217)75(7)170-127(220)91(31-22-49-165-152(160)161)172-128(221)92(32-23-50-166-153(162)163)174-146(239)110(69-199)191-140(233)107(63-119(215)216)186-134(227)98(53-73(3)4)178-135(228)99(56-81-33-37-85(204)38-34-81)180-129(222)90(30-20-21-48-154)173-145(238)109(68-198)190-136(229)100(57-82-35-39-86(205)40-36-82)181-139(232)106(62-118(213)214)187-147(240)111(70-200)192-150(243)122(77(9)202)195-142(235)102(55-80-26-16-13-17-27-80)188-149(242)121(76(8)201)193-116(210)66-168-126(219)93(41-44-112(156)206)175-144(237)108(67-197)189-125(218)88(155)59-84-65-164-71-169-84/h12-19,24-29,33-40,64-65,71-78,88,90-111,120-123,167,197-205H,20-23,30-32,41-63,66-70,154-155H2,1-11H3,(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H,164,169)(H,168,219)(H,170,220)(H,171,217)(H,172,221)(H,173,238)(H,174,239)(H,175,237)(H,176,226)(H,177,241)(H,178,228)(H,179,230)(H,180,222)(H,181,232)(H,182,231)(H,183,224)(H,184,225)(H,185,223)(H,186,227)(H,187,240)(H,188,242)(H,189,218)(H,190,229)(H,191,233)(H,192,243)(H,193,210)(H,194,234)(H,195,235)(H,196,236)(H,211,212)(H,213,214)(H,215,216)(H,244,245)(H4,160,161,165)(H4,162,163,166)/t75-,76+,77+,78+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-/m0/s1"	""	""	""
"1146"	"glucagon-(1-21)"	""	"Peptide"	""	""	""	""	"135652171"	"155817398"	""	""	""	""	""	""	""	""	""	"glucagon 1-21"	"CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O"	"HTKQXZVWMVGUHF-XCHZYIBMSA-N"	"InChI=1S/C104H156N32O38/c1-48(2)33-64(90(161)127-69(39-79(150)151)94(165)133-73(45-139)98(169)122-61(17-12-32-115-104(111)112)87(158)120-60(16-11-31-114-103(109)110)86(157)118-49(3)83(154)119-63(27-29-76(108)146)89(160)130-70(102(173)174)40-80(152)153)124-91(162)65(35-53-18-22-56(143)23-19-53)125-88(159)59(15-9-10-30-105)121-97(168)72(44-138)132-92(163)66(36-54-20-24-57(144)25-21-54)126-93(164)68(38-78(148)149)128-99(170)74(46-140)134-101(172)82(51(5)142)136-95(166)67(34-52-13-7-6-8-14-52)129-100(171)81(50(4)141)135-77(147)42-116-85(156)62(26-28-75(107)145)123-96(167)71(43-137)131-84(155)58(106)37-55-41-113-47-117-55/h6-8,13-14,18-25,41,47-51,58-74,81-82,137-144H,9-12,15-17,26-40,42-46,105-106H2,1-5H3,(H2,107,145)(H2,108,146)(H,113,117)(H,116,156)(H,118,157)(H,119,154)(H,120,158)(H,121,168)(H,122,169)(H,123,167)(H,124,162)(H,125,159)(H,126,164)(H,127,161)(H,128,170)(H,129,171)(H,130,160)(H,131,155)(H,132,163)(H,133,165)(H,134,172)(H,135,147)(H,136,166)(H,148,149)(H,150,151)(H,152,153)(H,173,174)(H4,109,110,114)(H4,111,112,115)/t49-,50+,51+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,81-,82-/m0/s1"	""	""	""
"1147"	"glucagon-(1-6)"	""	"Peptide"	""	""	""	""	"135652172"	"194323"	""	""	"CHEMBL749"	""	""	""	""	"(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(3H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoic acid"	""	"glucagon 1-6"	"OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)[C@H](O)C)CCC(=O)N)NC(=O)[C@H](Cc1[nH]cnc1)N"	"VDWWLJRQDNTHJB-MXAMYCJDSA-N"	"InChI=1S/C29H41N9O10/c1-15(40)24(28(46)36-20(29(47)48)9-16-5-3-2-4-6-16)38-23(42)12-33-26(44)19(7-8-22(31)41)35-27(45)21(13-39)37-25(43)18(30)10-17-11-32-14-34-17/h2-6,11,14-15,18-21,24,39-40H,7-10,12-13,30H2,1H3,(H2,31,41)(H,32,34)(H,33,44)(H,35,45)(H,36,46)(H,37,43)(H,38,42)(H,47,48)/t15-,18+,19+,20+,21+,24+/m1/s1"	""	""	""
"5194"	"glucagon-like peptide 1"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"178101882"	"155817472"	"P06883|P55095|P01275"	"ENSG00000115263|ENSRNOG00000005498|ENSMUSG00000000394"	""	""	""	""	""	""	""	"GLP-1"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C"	"UKVFVQPAANCXIL-FJVFSOETSA-N"	"InChI=1S/C186H275N51O59/c1-17-94(10)149(182(294)209-98(14)155(267)220-128(73-105-78-199-111-42-28-27-41-109(105)111)171(283)223-123(68-91(4)5)173(285)234-147(92(6)7)180(292)219-113(43-29-31-63-187)158(270)200-81-136(245)210-112(45-33-65-197-185(191)192)157(269)203-84-146(262)263)236-174(286)126(70-102-37-23-19-24-38-102)225-165(277)120(55-61-142(254)255)216-162(274)114(44-30-32-64-188)212-153(265)96(12)206-152(264)95(11)207-161(273)118(51-57-135(190)244)211-137(246)82-201-160(272)117(53-59-140(250)251)215-168(280)122(67-90(2)3)222-170(282)125(72-104-47-49-108(243)50-48-104)226-177(289)132(85-238)230-179(291)134(87-240)231-181(293)148(93(8)9)235-176(288)131(77-145(260)261)228-178(290)133(86-239)232-184(296)151(100(16)242)237-175(287)127(71-103-39-25-20-26-40-103)229-183(295)150(99(15)241)233-138(247)83-202-159(271)116(52-58-139(248)249)213-154(266)97(13)208-167(279)129(75-107-80-196-89-205-107)227-163(275)115(46-34-66-198-186(193)194)214-164(276)119(54-60-141(252)253)217-169(281)124(69-101-35-21-18-22-36-101)224-166(278)121(56-62-143(256)257)218-172(284)130(76-144(258)259)221-156(268)110(189)74-106-79-195-88-204-106/h18-28,35-42,47-50,78-80,88-100,110,112-134,147-151,199,238-243H,17,29-34,43-46,51-77,81-87,187-189H2,1-16H3,(H2,190,244)(H,195,204)(H,196,205)(H,200,270)(H,201,272)(H,202,271)(H,203,269)(H,206,264)(H,207,273)(H,208,279)(H,209,294)(H,210,245)(H,211,246)(H,212,265)(H,213,266)(H,214,276)(H,215,280)(H,216,274)(H,217,281)(H,218,284)(H,219,292)(H,220,267)(H,221,268)(H,222,282)(H,223,283)(H,224,278)(H,225,277)(H,226,289)(H,227,275)(H,228,290)(H,229,295)(H,230,291)(H,231,293)(H,232,296)(H,233,247)(H,234,285)(H,235,288)(H,236,286)(H,237,287)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H4,191,192,197)(H4,193,194,198)/t94-,95-,96-,97-,98-,99+,100+,110-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,147-,148-,149-,150-,151-/m0/s1"	""	""	""
"1132"	"glucagon-like peptide 1-(7-36) amide"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651769"	"0"	"P06883|P55095|P01275"	"ENSG00000115263|ENSMUSG00000000394"	""	""	""	""	""	""	""	"GLP-1(7-36)amide"	""	""	""	""	""	""
"3544"	"glucagon-like peptide 1-(7-37)"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651770"	"16133830"	"P06883|P01275|P55095"	"ENSG00000115263|ENSMUSG00000000394"	""	""	""	""	""	""	""	"GLP-1(7-37)|GLP-1-(7-37)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C"	"GCYXWQUSHADNBF-AAEALURTSA-N"	"InChI=1S/C151H228N40O47/c1-17-77(10)121(148(236)169-81(14)127(215)177-105(60-87-63-160-92-36-25-24-35-90(87)92)138(226)179-101(56-74(4)5)139(227)188-119(75(6)7)146(234)176-94(37-26-28-52-152)130(218)161-65-111(199)170-93(39-30-54-159-151(156)157)129(217)164-68-118(210)211)190-140(228)103(57-84-31-20-18-21-32-84)180-135(223)99(47-51-116(206)207)175-134(222)95(38-27-29-53-153)172-125(213)79(12)166-124(212)78(11)168-133(221)98(44-48-110(155)198)171-112(200)66-162-132(220)97(46-50-115(204)205)174-136(224)100(55-73(2)3)178-137(225)102(59-86-40-42-89(197)43-41-86)181-143(231)107(69-192)184-145(233)109(71-194)185-147(235)120(76(8)9)189-142(230)106(62-117(208)209)182-144(232)108(70-193)186-150(238)123(83(16)196)191-141(229)104(58-85-33-22-19-23-34-85)183-149(237)122(82(15)195)187-113(201)67-163-131(219)96(45-49-114(202)203)173-126(214)80(13)167-128(216)91(154)61-88-64-158-72-165-88/h18-25,31-36,40-43,63-64,72-83,91,93-109,119-123,160,192-197H,17,26-30,37-39,44-62,65-71,152-154H2,1-16H3,(H2,155,198)(H,158,165)(H,161,218)(H,162,220)(H,163,219)(H,164,217)(H,166,212)(H,167,216)(H,168,221)(H,169,236)(H,170,199)(H,171,200)(H,172,213)(H,173,214)(H,174,224)(H,175,222)(H,176,234)(H,177,215)(H,178,225)(H,179,226)(H,180,223)(H,181,231)(H,182,232)(H,183,237)(H,184,233)(H,185,235)(H,186,238)(H,187,201)(H,188,227)(H,189,230)(H,190,228)(H,191,229)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,156,157,159)/t77-,78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,119-,120-,121-,122-,123-/m0/s1"	""	""	""
"1140"	"glucagon-like peptide 2"	"Human"	"Peptide"	""	""	""	""	"135651771"	"155817393"	"P01275"	"ENSG00000115263"	""	""	""	""	""	""	""	"GLP-2|GLP-2 (1-33)|glucagon-like peptide 2 (1-33)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC"	"TWSALRJGPBVBQU-PKQQPRCHSA-N"	"InChI=1S/C165H254N44O55S/c1-22-77(11)126(157(256)187-96(45-47-115(168)215)142(241)207-130(84(18)212)161(260)186-94(43-34-35-50-166)141(240)203-129(80(14)25-4)160(259)209-131(85(19)213)162(261)201-112(164(263)264)67-125(230)231)204-152(251)101(55-76(9)10)190-146(245)104(58-89-68-176-93-42-33-32-41-91(89)93)193-148(247)106(61-117(170)217)200-158(257)127(78(12)23-2)205-153(252)103(57-88-39-30-27-31-40-88)191-150(249)110(65-123(226)227)196-138(237)95(44-36-51-175-165(172)173)183-134(233)82(16)179-133(232)81(15)181-143(242)99(53-74(5)6)189-147(246)105(60-116(169)216)195-151(250)111(66-124(228)229)197-144(243)100(54-75(7)8)199-159(258)128(79(13)24-3)206-163(262)132(86(20)214)208-154(253)107(62-118(171)218)194-140(239)98(49-52-265-21)185-139(238)97(46-48-120(220)221)184-149(248)109(64-122(224)225)198-156(255)114(72-211)202-145(244)102(56-87-37-28-26-29-38-87)192-155(254)113(71-210)182-119(219)70-177-137(236)108(63-121(222)223)188-135(234)83(17)180-136(235)92(167)59-90-69-174-73-178-90/h26-33,37-42,68-69,73-86,92,94-114,126-132,176,210-214H,22-25,34-36,43-67,70-72,166-167H2,1-21H3,(H2,168,215)(H2,169,216)(H2,170,217)(H2,171,218)(H,174,178)(H,177,236)(H,179,232)(H,180,235)(H,181,242)(H,182,219)(H,183,233)(H,184,248)(H,185,238)(H,186,260)(H,187,256)(H,188,234)(H,189,246)(H,190,245)(H,191,249)(H,192,254)(H,193,247)(H,194,239)(H,195,250)(H,196,237)(H,197,243)(H,198,255)(H,199,258)(H,200,257)(H,201,261)(H,202,244)(H,203,240)(H,204,251)(H,205,252)(H,206,262)(H,207,241)(H,208,253)(H,209,259)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,263,264)(H4,172,173,175)/t77-,78-,79-,80-,81-,82-,83-,84+,85+,86+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,126-,127-,128-,129-,130-,131-,132-/m0/s1"	""	""	""
"3540"	"glucagon-like peptide 2"	"Mouse"	"Peptide"	""	""	""	""	"135651773"	"155817441"	"P55095"	"ENSMUSG00000000394"	""	""	""	""	""	""	""	"GLP-2|GLP-2 (1-33)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC"	"VSJTUHNYLFMYOE-HUADCCRNSA-N"	"InChI=1S/C165H255N43O56S/c1-22-77(11)125(156(255)185-96(45-47-115(168)216)141(240)206-130(84(18)213)161(260)183-94(43-34-35-50-166)140(239)201-128(80(14)25-4)159(258)208-131(85(19)214)162(261)198-111(164(263)264)66-124(230)231)202-151(250)101(55-76(9)10)188-145(244)104(58-89-67-175-93-42-33-32-41-91(89)93)191-147(246)106(61-117(170)218)197-157(256)126(78(12)23-2)203-152(251)103(57-88-39-30-27-31-40-88)189-149(248)109(64-122(226)227)193-137(236)95(44-36-51-174-165(171)172)184-160(259)129(83(17)212)205-134(233)82(16)179-142(241)99(53-74(5)6)187-146(245)105(60-116(169)217)192-150(249)110(65-123(228)229)194-143(242)100(54-75(7)8)196-158(257)127(79(13)24-3)204-163(262)132(86(20)215)207-155(254)114(72-211)199-139(238)98(49-52-265-21)182-138(237)97(46-48-119(220)221)181-148(247)108(63-121(224)225)195-154(253)113(71-210)200-144(243)102(56-87-37-28-26-29-38-87)190-153(252)112(70-209)180-118(219)69-176-136(235)107(62-120(222)223)186-133(232)81(15)178-135(234)92(167)59-90-68-173-73-177-90/h26-33,37-42,67-68,73-86,92,94-114,125-132,175,209-215H,22-25,34-36,43-66,69-72,166-167H2,1-21H3,(H2,168,216)(H2,169,217)(H2,170,218)(H,173,177)(H,176,235)(H,178,234)(H,179,241)(H,180,219)(H,181,247)(H,182,237)(H,183,260)(H,184,259)(H,185,255)(H,186,232)(H,187,245)(H,188,244)(H,189,248)(H,190,252)(H,191,246)(H,192,249)(H,193,236)(H,194,242)(H,195,253)(H,196,257)(H,197,256)(H,198,261)(H,199,238)(H,200,243)(H,201,239)(H,202,250)(H,203,251)(H,204,262)(H,205,233)(H,206,240)(H,207,254)(H,208,258)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,263,264)(H4,171,172,174)/t77-,78-,79-,80-,81-,82-,83+,84+,85+,86+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,125-,126-,127-,128-,129-,130-,131-,132-/m0/s1"	""	""	""
"1141"	"glucagon-like peptide 2"	"Rat"	"Peptide"	""	""	""	""	"135651772"	"155817394"	"P06883"	"ENSRNOG00000005498"	""	""	""	""	""	""	""	"GLP-2|GLP-2 (1-33)|glucagon-like peptide 2 (1-33)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC"	"JPRUMPQGPCFDGW-CWHSZFSPSA-N"	"InChI=1S/C166H256N44O56S/c1-22-77(11)126(157(257)187-96(45-47-115(169)217)142(242)208-131(84(18)214)162(262)185-94(43-34-35-50-167)141(241)203-129(80(14)25-4)160(260)210-132(85(19)215)163(263)201-112(165(265)266)67-125(232)233)204-152(252)101(55-76(9)10)190-146(246)104(58-89-68-177-93-42-33-32-41-91(89)93)193-148(248)106(61-117(171)219)200-158(258)127(78(12)23-2)205-153(253)103(57-88-39-30-27-31-40-88)191-150(250)110(65-123(228)229)196-138(238)95(44-36-51-176-166(173)174)186-161(261)130(83(17)213)207-135(235)82(16)181-143(243)99(53-74(5)6)189-147(247)105(60-116(170)218)195-151(251)111(66-124(230)231)197-144(244)100(54-75(7)8)199-159(259)128(79(13)24-3)206-164(264)133(86(20)216)209-154(254)107(62-118(172)220)194-140(240)98(49-52-267-21)184-139(239)97(46-48-120(222)223)183-149(249)109(64-122(226)227)198-156(256)114(72-212)202-145(245)102(56-87-37-28-26-29-38-87)192-155(255)113(71-211)182-119(221)70-178-137(237)108(63-121(224)225)188-134(234)81(15)180-136(236)92(168)59-90-69-175-73-179-90/h26-33,37-42,68-69,73-86,92,94-114,126-133,177,211-216H,22-25,34-36,43-67,70-72,167-168H2,1-21H3,(H2,169,217)(H2,170,218)(H2,171,219)(H2,172,220)(H,175,179)(H,178,237)(H,180,236)(H,181,243)(H,182,221)(H,183,249)(H,184,239)(H,185,262)(H,186,261)(H,187,257)(H,188,234)(H,189,247)(H,190,246)(H,191,250)(H,192,255)(H,193,248)(H,194,240)(H,195,251)(H,196,238)(H,197,244)(H,198,256)(H,199,259)(H,200,258)(H,201,263)(H,202,245)(H,203,241)(H,204,252)(H,205,253)(H,206,264)(H,207,235)(H,208,242)(H,209,254)(H,210,260)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H,265,266)(H4,173,174,176)/t77-,78-,79-,80-,81-,82-,83+,84+,85+,86+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,126-,127-,128-,129-,130-,131-,132-,133-/m0/s1"	""	""	""
"1142"	"glucagon-like peptide 2-(2-33)"	"Rat"	"Peptide"	""	""	""	""	"135651774"	"155817395"	""	"ENSRNOG00000005498"	""	""	""	""	""	""	""	"GLP-2 (2-33)|rat glucagon-like peptide 2 (2-33)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC"	"OQGQYLSDVZWIPO-QSSAVJFTSA-N"	"InChI=1S/C160H249N41O55S/c1-22-74(11)121(151(247)178-91(45-47-110(163)208)136(232)199-126(81(18)205)156(252)176-89(43-34-35-50-161)135(231)194-124(77(14)25-4)154(250)201-127(82(19)206)157(253)192-107(159(255)256)66-120(223)224)195-146(242)96(55-73(9)10)181-140(236)99(58-86-67-170-88-42-33-32-41-87(86)88)184-142(238)101(60-112(165)210)191-152(248)122(75(12)23-2)196-147(243)98(57-85-39-30-27-31-40-85)182-144(240)105(64-118(219)220)187-132(228)90(44-36-51-169-160(167)168)177-155(251)125(80(17)204)198-130(226)79(16)172-137(233)94(53-71(5)6)180-141(237)100(59-111(164)209)186-145(241)106(65-119(221)222)188-138(234)95(54-72(7)8)190-153(249)123(76(13)24-3)197-158(254)128(83(20)207)200-148(244)102(61-113(166)211)185-134(230)93(49-52-257-21)175-133(229)92(46-48-115(213)214)174-143(239)104(63-117(217)218)189-150(246)109(70-203)193-139(235)97(56-84-37-28-26-29-38-84)183-149(245)108(69-202)173-114(212)68-171-131(227)103(62-116(215)216)179-129(225)78(15)162/h26-33,37-42,67,71-83,89-109,121-128,170,202-207H,22-25,34-36,43-66,68-70,161-162H2,1-21H3,(H2,163,208)(H2,164,209)(H2,165,210)(H2,166,211)(H,171,227)(H,172,233)(H,173,212)(H,174,239)(H,175,229)(H,176,252)(H,177,251)(H,178,247)(H,179,225)(H,180,237)(H,181,236)(H,182,240)(H,183,245)(H,184,238)(H,185,230)(H,186,241)(H,187,228)(H,188,234)(H,189,246)(H,190,249)(H,191,248)(H,192,253)(H,193,235)(H,194,231)(H,195,242)(H,196,243)(H,197,254)(H,198,226)(H,199,232)(H,200,244)(H,201,250)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,223,224)(H,255,256)(H4,167,168,169)/t74-,75-,76-,77-,78-,79-,80+,81+,82+,83+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,121-,122-,123-,124-,125-,126-,127-,128-/m0/s1"	""	""	""
"3541"	"glucagon-like peptide 2-(3-33)"	"Mouse"	"Peptide"	""	""	""	""	"135651776"	"155817442"	"P55095"	"ENSMUSG00000000394"	""	""	""	""	""	""	""	"GLP-2 (3-33)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC"	"FGSZUMQGXARWAJ-XVADTHAUSA-N"	"InChI=1S/C156H243N39O54S/c1-21-73(11)118(147(240)173-90(44-46-108(159)203)132(225)193-123(79(17)200)152(245)171-88(42-33-34-49-157)131(224)188-121(76(14)24-4)150(243)195-124(80(18)201)153(246)185-104(155(248)249)64-117(217)218)189-142(235)95(54-72(9)10)175-136(229)98(57-84-65-165-87-41-32-31-40-85(84)87)178-138(231)100(60-110(161)205)184-148(241)119(74(12)22-2)190-143(236)97(56-83-38-29-26-30-39-83)176-140(233)102(62-115(213)214)180-128(221)89(43-35-50-164-156(162)163)172-151(244)122(78(16)199)192-126(219)77(15)167-133(226)93(52-70(5)6)174-137(230)99(59-109(160)204)179-141(234)103(63-116(215)216)181-134(227)94(53-71(7)8)183-149(242)120(75(13)23-3)191-154(247)125(81(19)202)194-146(239)107(69-198)186-130(223)92(48-51-250-20)170-129(222)91(45-47-112(207)208)169-139(232)101(61-114(211)212)182-145(238)106(68-197)187-135(228)96(55-82-36-27-25-28-37-82)177-144(237)105(67-196)168-111(206)66-166-127(220)86(158)58-113(209)210/h25-32,36-41,65,70-81,86,88-107,118-125,165,196-202H,21-24,33-35,42-64,66-69,157-158H2,1-20H3,(H2,159,203)(H2,160,204)(H2,161,205)(H,166,220)(H,167,226)(H,168,206)(H,169,232)(H,170,222)(H,171,245)(H,172,244)(H,173,240)(H,174,230)(H,175,229)(H,176,233)(H,177,237)(H,178,231)(H,179,234)(H,180,221)(H,181,227)(H,182,238)(H,183,242)(H,184,241)(H,185,246)(H,186,223)(H,187,228)(H,188,224)(H,189,235)(H,190,236)(H,191,247)(H,192,219)(H,193,225)(H,194,239)(H,195,243)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,248,249)(H4,162,163,164)/t73-,74-,75-,76-,77-,78+,79+,80+,81+,86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,118-,119-,120-,121-,122-,123-,124-,125-/m0/s1"	""	""	""
"1143"	"glucagon-like peptide 2-(3-33)"	"Human"	"Peptide"	""	""	""	""	"135651777"	"91928510"	"P01275"	"ENSG00000115263"	""	""	""	""	""	""	""	"GLP-2 (3-33)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC"	"MYKFSDGCGNRIEA-KXTJMAPWSA-N"	"InChI=1S/C156H242N40O53S/c1-21-73(11)119(148(241)175-90(44-46-108(159)202)133(226)194-123(79(17)199)152(245)174-88(42-33-34-49-157)132(225)190-122(76(14)24-4)151(244)196-124(80(18)200)153(246)188-105(155(248)249)65-118(217)218)191-143(236)95(54-72(9)10)177-137(230)98(57-84-66-166-87-41-32-31-40-85(84)87)180-139(232)100(60-110(161)204)187-149(242)120(74(12)22-2)192-144(237)97(56-83-38-29-26-30-39-83)178-141(234)103(63-116(213)214)183-129(222)89(43-35-50-165-156(163)164)171-127(220)78(16)168-126(219)77(15)169-134(227)93(52-70(5)6)176-138(231)99(59-109(160)203)182-142(235)104(64-117(215)216)184-135(228)94(53-71(7)8)186-150(243)121(75(13)23-3)193-154(247)125(81(19)201)195-145(238)101(61-111(162)205)181-131(224)92(48-51-250-20)173-130(223)91(45-47-113(207)208)172-140(233)102(62-115(211)212)185-147(240)107(69-198)189-136(229)96(55-82-36-27-25-28-37-82)179-146(239)106(68-197)170-112(206)67-167-128(221)86(158)58-114(209)210/h25-32,36-41,66,70-81,86,88-107,119-125,166,197-201H,21-24,33-35,42-65,67-69,157-158H2,1-20H3,(H2,159,202)(H2,160,203)(H2,161,204)(H2,162,205)(H,167,221)(H,168,219)(H,169,227)(H,170,206)(H,171,220)(H,172,233)(H,173,223)(H,174,245)(H,175,241)(H,176,231)(H,177,230)(H,178,234)(H,179,239)(H,180,232)(H,181,224)(H,182,235)(H,183,222)(H,184,228)(H,185,240)(H,186,243)(H,187,242)(H,188,246)(H,189,229)(H,190,225)(H,191,236)(H,192,237)(H,193,247)(H,194,226)(H,195,238)(H,196,244)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,248,249)(H4,163,164,165)/t73-,74-,75-,76-,77-,78-,79+,80+,81+,86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,119-,120-,121-,122-,123-,124-,125-/m0/s1"	""	""	""
"1144"	"glucagon-like peptide 2-(3-33)"	"Rat"	"Peptide"	""	""	""	""	"135651775"	"155817396"	"P06883"	"ENSRNOG00000005498"	""	""	""	""	""	""	""	"GLP-2 (3-33)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC"	"JHPPUNFVXZAAKU-YNDCLQMTSA-N"	"InChI=1S/C157H244N40O54S/c1-21-73(11)119(148(242)175-90(44-46-108(160)204)133(227)195-124(79(17)201)153(247)173-88(42-33-34-49-158)132(226)190-122(76(14)24-4)151(245)197-125(80(18)202)154(248)188-105(156(250)251)65-118(219)220)191-143(237)95(54-72(9)10)177-137(231)98(57-84-66-167-87-41-32-31-40-85(84)87)180-139(233)100(60-110(162)206)187-149(243)120(74(12)22-2)192-144(238)97(56-83-38-29-26-30-39-83)178-141(235)103(63-116(215)216)183-129(223)89(43-35-50-166-157(164)165)174-152(246)123(78(16)200)194-127(221)77(15)169-134(228)93(52-70(5)6)176-138(232)99(59-109(161)205)182-142(236)104(64-117(217)218)184-135(229)94(53-71(7)8)186-150(244)121(75(13)23-3)193-155(249)126(81(19)203)196-145(239)101(61-111(163)207)181-131(225)92(48-51-252-20)172-130(224)91(45-47-113(209)210)171-140(234)102(62-115(213)214)185-147(241)107(69-199)189-136(230)96(55-82-36-27-25-28-37-82)179-146(240)106(68-198)170-112(208)67-168-128(222)86(159)58-114(211)212/h25-32,36-41,66,70-81,86,88-107,119-126,167,198-203H,21-24,33-35,42-65,67-69,158-159H2,1-20H3,(H2,160,204)(H2,161,205)(H2,162,206)(H2,163,207)(H,168,222)(H,169,228)(H,170,208)(H,171,234)(H,172,224)(H,173,247)(H,174,246)(H,175,242)(H,176,232)(H,177,231)(H,178,235)(H,179,240)(H,180,233)(H,181,225)(H,182,236)(H,183,223)(H,184,229)(H,185,241)(H,186,244)(H,187,243)(H,188,248)(H,189,230)(H,190,226)(H,191,237)(H,192,238)(H,193,249)(H,194,221)(H,195,227)(H,196,239)(H,197,245)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,250,251)(H4,164,165,166)/t73-,74-,75-,76-,77-,78+,79+,80+,81+,86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,119-,120-,121-,122-,123-,124-,125-,126-/m0/s1"	""	""	""
"7450"	"glucarpidase"	""	"Peptide"	"yes"	""	""	""	"187051753"	"0"	""	""	"CHEMBL1863515"	""	""	""	""	""	"glucarpidase"	"Voraxaze&reg;"	""	""	""	""	""	""
"4519"	"gluconate"	""	"Natural product"	""	""	""	""	"178101244"	"4134252"	""	""	""	""	""	""	""	"2,3,4,5,6-pentahydroxyhexanoate"	"choline gluconate"	""	"OCC(C(C(C(C(=O)[O-])O)O)O)O"	"RGHNJXZEOKUKBD-UHFFFAOYSA-M"	"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/p-1"	""	""	""
"4647"	"glucose 6-phosphate"	""	"Metabolite"	""	""	""	""	"178101364"	"5958"	""	""	""	""	""	""	""	"{[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}phosphonic acid"	""	""	"OC1O[C@H](COP(=O)(O)O)[C@H]([C@@H]([C@H]1O)O)O"	"NBSCHQHZLSJFNQ-GASJEMHNSA-N"	"InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1"	""	""	""
"4723"	"glucuronic acid"	""	"Metabolite"	""	""	""	""	"178101434"	"65041"	""	""	""	""	""	""	""	"(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid"	""	"glucuronate"	"O=C[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O"	"IAJILQKETJEXLJ-QTBDOELSSA-N"	"InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1"	""	""	""
"13183"	"glunomab"	""	"Antibody"	""	""	""	""	"491299965"	"0"	""	""	""	""	""	""	""	""	""	"glunozumab"	""	""	""	""	""	""
"6737"	"glutathione"	""	"Peptide"	""	""	""	""	"178103348"	"124886"	""	""	"CHEMBL1543"	""	""	""	""	"(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid"	""	"GSH"	"SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N"	"RWSXRVCMGQZWBV-WDSKDSINSA-N"	"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1"	""	""	""
"14316"	"glutazumab"	""	"Antibody"	""	""	""	""	"523352108"	"0"	""	""	""	""	""	""	""	""	""	"GMA-102"	""	""	""	""	""	""
"7192"	"glutethimide"	""	"Synthetic organic"	"yes"	""	""	""	"178103767"	"3487"	""	""	"CHEMBL1102"	""	""	""	""	"3-ethyl-6-hydroxy-3-phenyl-2,3,4,5-tetrahydropyridin-2-one"	"glutethimide"	"Doriden&reg;"	"CCC1(CCC(=NC1=O)O)c1ccccc1"	"JMBQKKAJIKAWKF-UHFFFAOYSA-N"	"InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)"	""	""	""
"14283"	"GLX351322"	""	"Synthetic organic"	""	""	""	""	"521588923"	"2697686"	""	""	"CHEMBL5399030"	""	""	""	""	"ethyl 2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate"	""	"GLX-351322"	"CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3CCN(CC3)C(=O)C4=CC=CO4"	"KEVHLTCEMHIJTQ-UHFFFAOYSA-N"	"InChI=1S/C21H25N3O5S/c1-2-28-21(27)18-14-5-3-7-16(14)30-19(18)22-17(25)13-23-8-10-24(11-9-23)20(26)15-6-4-12-29-15/h4,6,12H,2-3,5,7-11,13H2,1H3,(H,22,25)"	""	""	""
"12617"	"GLXC-26326"	""	"Synthetic organic"	""	""	""	""	"479821407"	"46186926"	""	""	""	""	""	""	""	""	""	"example 45 [WO2010056563A1]|GLXC26326|LY-2780301|LY2780301"	"CN(C)CCN1C=C(N=C1C2CCN(CC2)C3=NC=NC4=C3CC(=O)N4)C5=CC(=C(C=C5)F)C(F)(F)F"	"YDFKZIGAUIKZGP-UHFFFAOYSA-N"	"InChI=1S/C25H27F4N7O/c1-34(2)9-10-36-13-20(16-3-4-19(26)18(11-16)25(27,28)29)32-23(36)15-5-7-35(8-6-15)24-17-12-21(37)33-22(17)30-14-31-24/h3-4,11,13-15H,5-10,12H2,1-2H3,(H,30,31,33,37)"	""	""	""
"5195"	"glycerol"	""	"Metabolite"	""	""	""	""	"178101883"	"753"	""	""	"CHEMBL692"	""	""	""	""	"propane-1,2,3-triol"	"glycerol"	""	"OCC(CO)O"	"PEDCQBHIVMGVHV-UHFFFAOYSA-N"	"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2"	""	""	""
"4740"	"glycerol 3-phosphate"	""	"Metabolite"	""	""	""	""	"178101451"	"754"	""	""	"CHEMBL358320"	""	""	""	""	"(2,3-dihydroxypropoxy)phosphonic acid"	""	""	"OCC(COP(=O)(O)O)O"	"AWUCVROLDVIAJX-UHFFFAOYSA-N"	"InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)"	""	""	""
"727"	"glycine"	""	"Metabolite"	""	""	""	""	"135651492"	"750"	""	""	"CHEMBL773"	""	""	""	""	"carbonocyanidic acid"	"glycine"	""	"NCC(=O)O"	"DHMQDGOQFOQNFH-UHFFFAOYSA-N"	"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)"	""	""	""
"4545"	"glycochenodeoxycholic acid"	""	"Metabolite"	""	""	""	""	"178101266"	"12544"	""	""	"CHEMBL1552"	""	""	""	""	"2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid"	""	"GCDA|glycochenodeoxycholate"	"O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)O)C)C)O)C"	"GHCZAUBVMUEKKP-GYPHWSFCSA-N"	"InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1"	""	""	""
"4544"	"glycocholic acid"	""	"Metabolite"	""	""	""	""	"178101265"	"10140"	""	""	"CHEMBL411070"	""	""	""	""	"2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid"	""	"cholylglycine|GCA|glycocholate"	"O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)O)C)C)O)C"	"RFDAIACWWDREDC-FRVQLJSFSA-N"	"InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1"	""	""	""
"4714"	"glycodeoxycholic acid"	""	"Metabolite"	""	""	""	""	"178101425"	"3035026"	""	""	"CHEMBL258605"	""	""	""	""	"2-[(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R,16S)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid"	""	"GDCA|glycodeoxycholate"	"O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)O)C)C)C"	"WVULKSPCQVQLCU-BUXLTGKBSA-N"	"InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1"	""	""	""
"4378"	"glycoprotein hormone common alpha subunit"	"Rat"	"Peptide"	""	""	""	""	"135651925"	"0"	"P11962"	"ENSRNOG00000009269"	""	""	""	""	""	""	""	"chorionic gonadotropin alpha chain|FSH&alpha;|HCG&alpha;|LH&alpha;"	""	""	""	""	""	""
"3731"	"glycoprotein hormone common alpha subunit"	"Human"	"Peptide"	""	""	""	""	"135651927"	"0"	"P01215"	"ENSG00000135346"	""	""	""	""	""	""	""	"chorionic gonadotropin alpha chain|FSH&alpha;|GPH&alpha;|HCG&alpha;|LH&alpha;|TSH&alpha;"	""	""	""	""	""	""
"4377"	"glycoprotein hormone common alpha subunit"	"Mouse"	"Peptide"	""	""	""	""	"135651929"	"0"	"P01216"	"ENSMUSG00000028298"	""	""	""	""	""	""	""	"FSH&alpha;|glycoprotein hormones alpha polypeptide|GPH&alpha;|hCG&alpha;|HCG&alpha;|LH&alpha;|TSH&alpha;"	""	""	""	""	""	""
"7459"	"glycopyrrolate"	""	"Synthetic organic"	"yes"	""	""	""	"187051762"	"3494"	""	""	"CHEMBL1201335"	""	""	""	""	"(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate"	"glycopyrronium bromide"	"AHR-504|Qbrexza&reg (glycopyrronium cloth)|Robinul&reg;|Seebri Neohaler&reg;|Tovanor Breezhaler&reg;"	"O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C"	"ANGKOCUUWGHLCE-UHFFFAOYSA-N"	"InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1"	"yes"	""	""
"4715"	"glycoursodeoxycholic acid"	""	"Metabolite"	""	""	""	""	"178101426"	"12310288"	""	""	"CHEMBL409348"	""	""	""	""	"2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid"	""	"glycoursodeoxycholate|GUDCA"	"O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)O)C)C)O)C"	"GHCZAUBVMUEKKP-XROMFQGDSA-N"	"InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1"	""	""	""
"9505"	"glycyl-sarcosine"	""	"Peptide"	""	""	""	""	"329968444"	"93131"	""	""	"CHEMBL175737"	""	""	""	""	"2-[(2-aminoacetyl)-methylamino]acetic acid"	""	"Gly-Sar|glycylsarcosine"	"CN(C(=O)CN)CC(=O)O"	"VYAMLSCELQQRAE-UHFFFAOYSA-N"	"InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)"	""	""	""
"12598"	"glycyl-[<sup>13</sup>C<sub>3</sub>]-sarcosine"	""	"Synthetic organic"	""	""	"yes"	"yes"	"479821388"	"167993662"	""	""	""	""	""	""	""	""	""	""	"[13C]N([13C][13C](O)=O)C(=O)CN"	"BPCWHLVLHVTZSV-CGANOEODSA-N"	"InChI=1S/C5H5N2O3/c1-7(3-5(9)10)4(8)2-6/h2,6H2,(H,9,10)/i1+1,3+1,5+1"	""	""	""
"4688"	"glycyrrhizin"	""	"Natural product"	""	""	""	""	"178101402"	"14982"	""	""	"CHEMBL441687"	""	""	""	""	"(2S,3S,4S,5R,6S)-6-{[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid"	""	""	"O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C"	"LPLVUJXQOOQHMX-QWBHMCJMSA-N"	"InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1"	""	""	""
"4202"	"GlyH-101"	""	"Synthetic organic"	""	""	""	""	"178101019"	"136218970"	""	""	""	""	""	""	""	"N'-[(3,5-dibromo-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-(naphthalen-2-ylamino)acetohydrazide"	""	"AGN-PC-005HH0|CTK8E9894"	"O=C(CNc1ccc2c(c1)cccc2)NNC=C1C=C(Br)C(=C(C1=O)Br)O"	"FLGYCSPPJQJZCH-UHFFFAOYSA-N"	"InChI=1S/C19H15Br2N3O3/c20-15-8-13(18(26)17(21)19(15)27)9-23-24-16(25)10-22-14-6-5-11-3-1-2-4-12(11)7-14/h1-9,22-23,27H,10H2,(H,24,25)"	""	""	""
"10064"	"GlyT1 inhibitor 27a"	""	"Synthetic organic"	""	""	""	""	"375973252"	"68513937"	""	""	""	""	""	""	""	"N-[2-[[(7S,8R)-7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-methylimidazole-4-sulfonamide"	""	"compound (7S,8R)-27a"	"Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](CC2)N1CCC1"	"BIPXSEJLJGIGOE-RPBOFIJWSA-N"	"InChI=1S/C26H32N4O3S/c1-29-18-26(27-19-29)34(31,32)28-12-15-33-22-10-8-21-9-11-25(30-13-5-14-30)24(23(21)17-22)16-20-6-3-2-4-7-20/h2-4,6-8,10,17-19,24-25,28H,5,9,11-16H2,1H3/t24-,25+/m1/s1"	""	""	""
"10065"	"GlyT1 inhibitor 51b"	""	"Synthetic organic"	""	""	""	""	"375973253"	"118022791"	""	""	""	""	""	""	""	"N-[1-[(3R,4R)-3-(azetidin-1-yl)-4-benzyl-3,4-dihydro-2H-chromen-6-yl]azetidin-3-yl]-1-cyclopropylmethanesulfonamide"	""	""	"O=S(=O)(NC1CN(C1)c1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](CO2)N1CCC1)CC1CC1"	"GOGNWHCPOVLYOW-NOZRDPDXSA-N"	"InChI=1S/C26H33N3O3S/c30-33(31,18-20-7-8-20)27-21-15-29(16-21)22-9-10-26-24(14-22)23(13-19-5-2-1-3-6-19)25(17-32-26)28-11-4-12-28/h1-3,5-6,9-10,14,20-21,23,25,27H,4,7-8,11-13,15-18H2/t23-,25+/m1/s1"	""	""	""
"1466"	"GM-109"	""	"Peptide"	""	""	""	""	"135652173"	"9850904"	""	""	"CHEMBL3143516"	""	""	""	""	"(2S)-2-amino-N-[(2S,13S)-2-[(3-tert-butyl-4-hydroxyphenyl)methyl]-3,7,14-trioxo-1,4,8-triazacyclotetradec-13-yl]-3-phenylpropanamide"	""	"GM 109|GM109"	"O=C1NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)N)C(=O)N[C@H](C(=O)NCC1)Cc1ccc(c(c1)C(C)(C)C)O"	"RRXAKVUZGASTMY-SDHOMARFSA-N"	"InChI=1S/C31H43N5O5/c1-31(2,3)22-17-21(12-13-26(22)37)19-25-29(40)34-16-14-27(38)33-15-8-7-11-24(30(41)36-25)35-28(39)23(32)18-20-9-5-4-6-10-20/h4-6,9-10,12-13,17,23-25,37H,7-8,11,14-16,18-19,32H2,1-3H3,(H,33,38)(H,34,40)(H,35,39)(H,36,41)/t23-,24-,25-/m0/s1"	""	""	""
"6131"	"GMAP(1-41)"	"Pig"	"Peptide"	""	""	""	""	"178102752"	"0"	"P07480"	""	""	""	""	""	""	""	""	"galanin message associated peptide fragment 1-41 amide, porcine|preprogalanin 65-105 amide"	""	""	""	""	""	""
"6132"	"GMAP(44-59)"	"Pig"	"Peptide"	""	""	""	""	"178102753"	"0"	"P07480"	""	""	""	""	""	""	""	""	"galanin message associated peptide fragment 44-59 amide|preprogalanin 108-123 amide"	""	""	""	""	""	""
"4942"	"GM-CSF"	"Human"	"Peptide"	""	""	""	""	"178101640"	"0"	"P04141"	"ENSG00000164400"	""	""	""	""	""	""	""	"colony-stimulating factor|CSF"	""	""	""	"yes"	""	""
"4203"	"GMQ"	""	"Synthetic organic"	""	""	""	""	"178101020"	"345657"	""	""	"CHEMBL602365"	""	""	""	""	"1-(4-methylquinazolin-2-yl)guanidine"	""	"2-GMQ|2-guanidine-4-methylquinazoline|GNF-Pf-3515"	"NC(=N)Nc1nc2ccccc2c(n1)C"	"ONQKSKDLYYDFLL-UHFFFAOYSA-N"	"InChI=1S/C10H11N5/c1-6-7-4-2-3-5-8(7)14-10(13-6)15-9(11)12/h2-5H,1H3,(H4,11,12,13,14,15)"	""	""	""
"13247"	"GNE-049"	""	"Synthetic organic"	""	""	""	""	"491300029"	"121373418"	""	""	"CHEMBL4076748"	""	""	""	""	"1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone"	""	"compound 10 [PMID: 28892380]|GNE049"	"CC(=O)N1CCC2=C(C1)C(=NN2C3CCOCC3)N4CCCC5=CC(=C(C=C54)C(F)F)C6=CN(N=C6)C"	"LWXLECMNBTVASW-UHFFFAOYSA-N"	"InChI=1S/C27H32F2N6O2/c1-17(36)33-9-5-24-23(16-33)27(31-35(24)20-6-10-37-11-7-20)34-8-3-4-18-12-21(19-14-30-32(2)15-19)22(26(28)29)13-25(18)34/h12-15,20,26H,3-11,16H2,1-2H3"	""	""	""
"12206"	"GNE-064"	""	"Synthetic organic"	""	""	""	""	"472319326"	"137029447"	""	""	""	""	""	""	""	"1-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]ethanone"	""	"compound 5 [PMID: 35930799]|GNE064"	"C[C@@H]1CN(CCN1C(=O)C)c1cc(nnc1N)c1ccccc1O"	"FHRKRGDHMCCDEO-LLVKDONJSA-N"	"InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1"	""	""	""
"9393"	"GNE-0877"	""	"Synthetic organic"	""	""	""	""	"328083495"	"69093374"	""	""	""	""	""	""	""	"2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile"	""	"compound 11 [PMID: 24354345]|DNL-201|DNL201|GNE0877"	"N#CC(n1nc(c(c1)Nc1ncc(c(n1)NC)C(F)(F)F)C)(C)C"	"ZPPUMAMZIMPJGP-UHFFFAOYSA-N"	"InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)"	""	""	""
"10003"	"GNE-131"	""	"Synthetic organic"	""	""	""	""	"374883890"	"91666633"	""	""	""	""	""	""	""	"N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide"	""	"compound 13 [PMID: 29737846]|GNE 131|GNE131"	"O=S(=O)(C1CC1)Nc1nnc2n1cc(C1CC1)c(c2)OCC12CC3CC(C2)CC(C1)C3"	"FPERPEQIXLOVIK-UHFFFAOYSA-N"	"InChI=1S/C23H30N4O3S/c28-31(29,18-3-4-18)26-22-25-24-21-8-20(19(12-27(21)22)17-1-2-17)30-13-23-9-14-5-15(10-23)7-16(6-14)11-23/h8,12,14-18H,1-7,9-11,13H2,(H,25,26)"	""	""	""
"13104"	"GNE-235"	""	"Synthetic organic"	""	""	""	""	"491299886"	"169448380"	""	""	""	""	""	""	""	"6-(furan-2-yl)-4-[(2S)-2-methylpyrrolidin-1-yl]pyridazin-3-amine"	""	"compound 23 [PMID: 37702400]|GNE235"	"NC1=C(N2[C@@H](C)CCC2)C=C(C3=CC=CO3)N=N1"	"HDGYSKKTWNREMX-VIFPVBQESA-N"	"InChI=1S/C13H16N4O/c1-9-4-2-6-17(9)11-8-10(15-16-13(11)14)12-5-3-7-18-12/h3,5,7-9H,2,4,6H2,1H3,(H2,14,16)/t9-/m0/s1"	""	""	""
"9660"	"GNE-3500"	""	"Synthetic organic"	""	""	""	""	"348353619"	"122379290"	""	""	""	""	""	""	""	"1-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]piperazin-1-yl]ethanone"	""	""	"C[C@H]1CC[C@@H](S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(=O)C)c1ccccc1"	"WLCIIQPUMOJJOF-MHECFPHRSA-N"	"InChI=1S/C24H30FN3O3S/c1-18-8-11-24(20-6-4-3-5-7-20)32(30,31)28(18)17-21-9-10-22(16-23(21)25)27-14-12-26(13-15-27)19(2)29/h3-7,9-10,16,18,24H,8,11-15,17H2,1-2H3/t18-,24+/m0/s1"	"yes"	""	""
"9355"	"GNE-3511"	""	"Synthetic organic"	""	""	""	""	"328083457"	"72547959"	""	""	"CHEMBL3393333"	""	""	""	""	"2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile"	""	"compound 26 [PMID: 25341110]|GNE 3511|GNE3511"	"N#Cc1ccnc(c1)Nc1cc(cc(n1)N1CCC(C1)(F)F)C1CCN(CC1)C1COC1"	"RHFIAUKMKYHHFA-UHFFFAOYSA-N"	"InChI=1S/C23H26F2N6O/c24-23(25)4-8-31(15-23)22-11-18(17-2-6-30(7-3-17)19-13-32-14-19)10-21(29-22)28-20-9-16(12-26)1-5-27-20/h1,5,9-11,17,19H,2-4,6-8,13-15H2,(H,27,28,29)"	""	""	""
"9995"	"GNE-4997"	""	"Synthetic organic"	""	""	""	""	"374883882"	"134611893"	""	""	""	""	""	""	""	""	""	"compound 28 [PMID: 25844760]|GNE 4997|GNE4997"	"O=C(c1n[nH]c2c1C[C@H]1[C@@](C2)(C1(F)F)C)Nc1cnn(c1)[C@H]([C@@H]1CCCCS1(=O)=O)c1ccccc1"	"JNRFIKALOWSUBG-CGCKEFBRSA-N"	"InChI=1S/C25H27F2N5O3S/c1-24-12-18-17(11-20(24)25(24,26)27)21(31-30-18)23(33)29-16-13-28-32(14-16)22(15-7-3-2-4-8-15)19-9-5-6-10-36(19,34)35/h2-4,7-8,13-14,19-20,22H,5-6,9-12H2,1H3,(H,29,33)(H,30,31)/t19-,20-,22-,24+/m0/s1"	"yes"	""	""
"10355"	"GNE-616"	""	"Synthetic organic"	""	""	""	""	"384403636"	"138393286"	""	""	""	""	""	""	""	"(4S)-6-fluoro-4-[(2R,4S)-2-(pyridin-2-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(pyrimidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-sulfonamide"	""	"compound 24 [PMID: 30943032]|GNE616"	"Fc1cc2c(cc1S(=O)(=O)Nc1ccncn1)OCC[C@@H]2N1CC[C@@H](C[C@@H]1c1ccccn1)C(F)(F)F"	"XQUOWYVEKSXNET-RYGJVYDSSA-N"	"InChI=1S/C24H23F4N5O3S/c25-17-12-16-19(33-9-5-15(24(26,27)28)11-20(33)18-3-1-2-7-30-18)6-10-36-21(16)13-22(17)37(34,35)32-23-4-8-29-14-31-23/h1-4,7-8,12-15,19-20H,5-6,9-11H2,(H,29,31,32)/t15-,19-,20+/m0/s1"	""	""	""
"13107"	"GNE684"	""	"Synthetic organic"	""	""	""	""	"491299889"	"138377384"	""	""	"CHEMBL5208359"	""	""	""	""	"(5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-4,5-dihydro-3H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide"	""	"GNE-684"	"CN1C2=CN=C(C=C2CC[C@@H](C1=O)NC(=O)C3=NN4[C@@H](CCC4=N3)C5=CC=CC=C5)OC"	"JXFYROJRZJPKTQ-IRXDYDNUSA-N"	"InChI=1S/C23H24N6O3/c1-28-18-13-24-20(32-2)12-15(18)8-9-16(23(28)31)25-22(30)21-26-19-11-10-17(29(19)27-21)14-6-4-3-5-7-14/h3-7,12-13,16-17H,8-11H2,1-2H3,(H,25,30)/t16-,17-/m0/s1"	"yes"	""	""
"12814"	"GNE-7883"	""	"Synthetic organic"	""	""	""	""	"483123362"	"164852436"	""	""	"CHEMBL5191316"	""	""	""	""	"5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one"	""	"GNE7883"	"CC1=NC=CN=C1C2=C(C3=NC(=CC(=O)N3N2)C4=CC=C(C=C4)C5CCCCC5)C(=O)N6CC(C6)CF"	"OMGKSFJZXSXHCA-UHFFFAOYSA-N"	"InChI=1S/C28H29FN6O2/c1-17-25(31-12-11-30-17)26-24(28(37)34-15-18(14-29)16-34)27-32-22(13-23(36)35(27)33-26)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h7-13,18-19,33H,2-6,14-16H2,1H3"	""	""	""
"8073"	"GNE-7915"	""	"Synthetic organic"	""	""	""	""	"249565753"	"58539171"	""	""	"CHEMBL2178134"	""	""	""	""	"[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone"	""	"GNE 7915|GNE7915"	"CCNc1nc(ncc1C(F)(F)F)Nc1cc(F)c(cc1OC)C(=O)N1CCOCC1"	"XCFLWTZSJYBCPF-UHFFFAOYSA-N"	"InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)"	""	""	""
"9990"	"GNE-8505"	""	"Synthetic organic"	""	""	""	""	"374883877"	"90292687"	""	""	"CHEMBL3715238"	""	""	""	""	"5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine"	""	"example 152 [WO2014111496]"	"Nc1ncc(cc1C(F)(F)F)c1nn(c(c1)[C@@H]1[C@@H]2[C@H]1CN(C2)C1COC1)CC1CC1"	"IRPVABHDSJVBNZ-QWHZDKJVSA-N"	"InChI=1S/C21H24F3N5O/c22-21(23,24)16-3-12(5-26-20(16)25)17-4-18(29(27-17)6-11-1-2-11)19-14-7-28(8-15(14)19)13-9-30-10-13/h3-5,11,13-15,19H,1-2,6-10H2,(H2,25,26)/t14-,15+,19+"	""	""	""
"7919"	"GNE-9605"	""	"Synthetic organic"	""	""	""	""	"249565602"	"76328936"	""	""	"CHEMBL3122117"	""	""	""	""	"2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine"	""	"GNE 9605|GNE9605"	"CNc1nc(ncc1C(F)(F)F)Nc1cnn(c1Cl)[C@H]1CCN(C[C@@H]1F)C1COC1"	"PUXPEQJKNAWNQA-AAEUAGOBSA-N"	"InChI=1S/C17H20ClF4N7O/c1-23-15-10(17(20,21)22)4-24-16(27-15)26-12-5-25-29(14(12)18)13-2-3-28(6-11(13)19)9-7-30-8-9/h4-5,9,11,13H,2-3,6-8H2,1H3,(H2,23,24,26,27)/t11-,13-/m0/s1"	""	""	""
"12019"	"GNF-1331"	""	"Synthetic organic"	""	""	""	""	"464244160"	"4993304"	""	""	"CHEMBL4540197"	""	""	""	""	"N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide"	""	"GNF1331"	"CCCn1c(nnc1SCC(=O)Nc1nc2c(s1)cc(cc2)OC)c1ccncc1"	"JIUFLMSAFMXEEC-UHFFFAOYSA-N"	"InChI=1S/C20H20N6O2S2/c1-3-10-26-18(13-6-8-21-9-7-13)24-25-20(26)29-12-17(27)23-19-22-15-5-4-14(28-2)11-16(15)30-19/h4-9,11H,3,10,12H2,1-2H3,(H,22,23,27)"	""	""	""
"10687"	"GNF2133"	""	"Synthetic organic"	""	""	""	""	"404859134"	"145994392"	""	""	""	""	""	""	""	"4-Ethyl-N-(4-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-yl)piperazine-1-carboxamide"	""	"compound 13g [PMID: 32077280]|GNF-2133"	"CCN1CCN(CC1)C(=O)Nc1nccc(c1)c1cn(c2c1ccnc2)C1CCOCC1"	"SAZIAQSVBIWIDU-UHFFFAOYSA-N"	"InChI=1S/C24H30N6O2/c1-2-28-9-11-29(12-10-28)24(31)27-23-15-18(3-8-26-23)21-17-30(19-5-13-32-14-6-19)22-16-25-7-4-20(21)22/h3-4,7-8,15-17,19H,2,5-6,9-14H2,1H3,(H,26,27,31)"	""	""	""
"9548"	"GNF362"	""	"Synthetic organic"	""	""	""	""	"336446934"	"57999583"	""	""	""	""	""	""	""	"4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile"	""	"example 71 [US20090306039]"	"N#Cc1ccc(cc1)c1n[nH]cc1CN1CCN([C@@H](C1)C)c1ccc(cn1)C(F)(F)F"	"VNTCGXMLDSKOKN-OAHLLOKOSA-N"	"InChI=1S/C22H21F3N6/c1-15-13-30(8-9-31(15)20-7-6-19(12-27-20)22(23,24)25)14-18-11-28-29-21(18)17-4-2-16(10-26)3-5-17/h2-7,11-12,15H,8-9,13-14H2,1H3,(H,28,29)/t15-/m1/s1"	"yes"	""	""
"10688"	"GNF4877"	""	"Synthetic organic"	""	""	""	""	"404859135"	"139600315"	""	""	""	""	""	""	""	"(3R)-1-[3-[[3-amino-6-(2-fluoro-5-propan-2-yloxyphenyl)pyrazine-2-carbonyl]amino]pyridin-4-yl]piperidine-3-carboxylic acid"	""	"GNF-4877"	"CC(Oc1ccc(c(c1)c1cnc(c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(=O)O)N)F)C"	"UZIATSFXNVOVFE-OAHLLOKOSA-N"	"InChI=1S/C25H27FN6O4/c1-14(2)36-16-5-6-18(26)17(10-16)19-12-29-23(27)22(30-19)24(33)31-20-11-28-8-7-21(20)32-9-3-4-15(13-32)25(34)35/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H2,27,29)(H,31,33)(H,34,35)/t15-/m1/s1"	""	""	""
"8065"	"GNF-5"	""	"Synthetic organic"	""	""	""	""	"249565745"	"44129660"	""	""	"CHEMBL1257423"	""	""	""	""	"N-(2-hydroxyethyl)-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide"	""	"GNF 5|GNF5"	"OCCNC(=O)c1cccc(c1)c1ncnc(c1)Nc1ccc(cc1)OC(F)(F)F"	"IIQUYGWWHIHOCF-UHFFFAOYSA-N"	"InChI=1S/C20H17F3N4O3/c21-20(22,23)30-16-6-4-15(5-7-16)27-18-11-17(25-12-26-18)13-2-1-3-14(10-13)19(29)24-8-9-28/h1-7,10-12,28H,8-9H2,(H,24,29)(H,25,26,27)"	""	""	""
"8071"	"GNF-5837"	""	"Synthetic organic"	""	""	""	""	"249565751"	"59397065"	""	""	"CHEMBL2037226"	""	""	""	""	"1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-methyl-3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea"	""	"GNF 5837|GNF5837"	"O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1ccc(c(c1)Nc1ccc2c(c1)NC(=O)/C/2=C\c1ccc[nH]1)C"	"YYDUWLSETXNJJT-MTJSOVHGSA-N"	"InChI=1S/C28H21F4N5O2/c1-15-4-6-19(35-27(39)37-25-11-16(28(30,31)32)5-9-22(25)29)13-23(15)34-18-7-8-20-21(12-17-3-2-10-33-17)26(38)36-24(20)14-18/h2-14,33-34H,1H3,(H,36,38)(H2,35,37,39)/b21-12-"	""	""	""
"11166"	"GNF-6231"	""	"Synthetic organic"	""	""	""	""	"434122226"	"46927297"	""	""	""	""	""	""	""	""	""	"compound 19 [PMID: 27437076]|GNF6231"	"O=C(Nc1ccc(cn1)N1CCN(CC1)C(=O)C)Cc1cnc(c(c1)C)c1ccnc(c1)F"	"AXXNRMISICMFNS-UHFFFAOYSA-N"	"InChI=1S/C24H25FN6O2/c1-16-11-18(14-28-24(16)19-5-6-26-21(25)13-19)12-23(33)29-22-4-3-20(15-27-22)31-9-7-30(8-10-31)17(2)32/h3-6,11,13-15H,7-10,12H2,1-2H3,(H,27,29,33)"	""	""	""
"1162"	"GnRH I"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651779"	"16132914"	"P07490|P13562|P01148"	"ENSG00000147437"	""	""	""	""	""	""	""	"GnRH|gonadoliberin|gonadotropin releasing hormone|LH-RH (LHRH)"	"OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CC(C)C)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1[nH]cnc1"	"NMJREATYWWNIKX-UHFFFAOYSA-N"	"InChI=1S/C60H73N15O13/c1-32(2)20-47(60(88)75-19-7-12-49(75)59(87)65-28-50(61)78)73-55(83)44(22-34-25-63-40-10-5-3-8-38(34)40)69-52(80)29-66-53(81)43(21-33-13-15-37(77)16-14-33)70-58(86)48(30-76)74-56(84)45(23-35-26-64-41-11-6-4-9-39(35)41)71-57(85)46(24-36-27-62-31-67-36)72-54(82)42-17-18-51(79)68-42/h3-6,8-11,13-16,25-27,31-32,42-49,63-64,76-77H,7,12,17-24,28-30H2,1-2H3,(H2,61,78)(H,62,67)(H,65,87)(H,66,81)(H,68,79)(H,69,80)(H,70,86)(H,71,85)(H,72,82)(H,73,83)(H,74,84)"	""	""	""
"1164"	"GnRH II"	"Human"	"Peptide"	""	""	""	""	"135651780"	"0"	"O43555"	"ENSG00000125787"	""	""	""	""	""	""	""	"gonadoliberin II|gonadoliberin-2|gonadotropin-releasing hormone II|LH-RH II|luliberin II|luteinizing hormone-releasing hormone II"	""	""	""	""	""	""
"3878"	"GnRH III"	""	"Peptide"	""	""	""	""	"178100714"	"0"	"P30948"	""	""	""	""	""	""	""	""	"gonadoliberin III|gonadoliberin-3|Gonadotropin-releasing hormone III|lamprey GnRH III|Luliberin III"	""	""	""	""	""	""
"12495"	"goitrin"	""	"Natural product"	""	""	""	""	"479821285"	"3034683"	""	""	"CHEMBL508652"	""	""	""	""	"5-ethenyl-1,3-oxazolidine-2-thione"	""	"(&plusmn;)-goitrin|DL-Goitrin"	"C=CC1CNC(=S)O1"	"UZQVYLOFLQICCT-UHFFFAOYSA-N"	"InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)"	""	""	""
"13021"	"golcadomide"	""	"Synthetic organic"	""	""	""	""	"485206142"	"146195299"	""	""	"CHEMBL5095226"	""	""	""	""	"2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[2-fluoro-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]methylamino]isoindole-1,3-dione"	"golcadomide"	"CC-99282|CC99282|compound 1 [US20220324855]"	"C1CC(=O)NC(=O)[C@H]1N2C(=O)C3=C(C2=O)C(=CC=C3)NCC4=C(C=C(C=C4)CN5CC(C5)N6CCOCC6)F"	"NZYDBVQXOGPDDU-QHCPKHFHSA-N"	"InChI=1S/C28H30FN5O5/c29-21-12-17(14-32-15-19(16-32)33-8-10-39-11-9-33)4-5-18(21)13-30-22-3-1-2-20-25(22)28(38)34(27(20)37)23-6-7-24(35)31-26(23)36/h1-5,12,19,23,30H,6-11,13-16H2,(H,31,35,36)/t23-/m0/s1"	""	""	""
"10744"	"golidocitinib"	""	"Synthetic organic"	"yes"	""	""	""	"405067336"	"126715380"	""	""	""	""	""	""	""	"(2R)-N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propanamide"	"golidocitinib"	"AZD-4205|AZD4205|compound 21 [PMID: 32297743]|example 32 [US9714236B2]|GaoRuizhe (Chinese trade name)|JAK1-IN-3"	"COc1nn(cc1Nc1nccc(n1)c1c[nH]c2c1cccc2NC(=O)[C@H](N1CCN(CC1)C)C)C"	"CVCVOSPZEVINRM-MRXNPFEDSA-N"	"InChI=1S/C25H31N9O2/c1-16(34-12-10-32(2)11-13-34)23(35)28-20-7-5-6-17-18(14-27-22(17)20)19-8-9-26-25(29-19)30-21-15-33(3)31-24(21)36-4/h5-9,14-16,27H,10-13H2,1-4H3,(H,28,35)(H,26,29,30)/t16-/m1/s1"	""	""	""
"6776"	"golimumab"	""	"Antibody"	"yes"	""	""	""	"178103382"	"0"	""	""	""	""	""	""	""	""	"golimumab"	"CNTO-148|CNTO148|Simponi&reg;"	""	""	""	"yes"	""	""
"13605"	"golodirsen"	""	"Nucleic acid"	"yes"	""	""	""	"504705424"	"0"	""	""	""	""	""	""	""	""	"golodirsen"	"SRP-4053|SRP4053|VYONDYS 53&reg;"	""	""	""	""	""	""
"7956"	"golvatinib"	""	"Synthetic organic"	""	""	""	""	"249565639"	"16118392"	""	""	"CHEMBL3039525"	""	""	""	""	"N'-[2-fluoro-4-[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyridin-4-yl]oxyphenyl]-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide"	"golvatinib"	"E-7050|E7050"	"CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1nccc(c1)Oc1ccc(c(c1)F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F"	"UQRCJCNVNUFYDX-UHFFFAOYSA-N"	"InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)"	""	""	""
"13774"	"gomisin N"	""	"Natural product"	""	""	""	""	"507750407"	"158103"	""	""	"CHEMBL402435"	""	""	""	""	""	""	"( )-Schisandrin B|Deoxygomisin A|gamma-schizandrin|Wuweizisu B"	"C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@H]1C)OC)OC)OC)OC)OCO3"	"RTZKSTLPRTWFEV-OLZOCXBDSA-N"	"InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13+/m1/s1"	""	""	""
"3879"	"goserelin"	""	"Peptide"	"yes"	""	""	""	"178100715"	"5311128"	""	""	"CHEMBL1201247"	""	""	""	""	"(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(carbamoylamino)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide"	"goserelin"	"decapeptide I|ICI 118630|Zoladex&reg;"	"OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)CCCN=C(N)N)CC(C)C)COC(C)(C)C)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)Cc1[nH]cnc1"	"BLCLNMBMMGCOAS-URPVMXJPSA-N"	"InChI=1S/C59H84N18O14/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90)/t38-,39-,40-,41-,42-,43-,44-,45+,46-/m0/s1"	""	""	""
"14380"	"gosicalcetide"	""	"Peptide"	""	""	""	""	"523352172"	"177897105"	""	""	""	""	""	""	""	""	"gosicalcetide"	"N-acetyl-S-(L-cystein-S-yl)-D-cysteinyl-D-arginyl-D-arginyl-(2R)-2-aminobutanoyl-D-arginyl-D-alanyl-D-argininamide"	"[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](CCCNC(=N)N)C(N)=O)=O)C)=O)CCCNC(=N)N)=O)CC)=O)CCCNC(=N)N)=O)(NC([C@@H](CSSC[C@@H](C(O)=O)N)NC(C)=O)=O)CCCNC(=N)N"	"BLKUIBIIUQCYJP-SCMFJFGHSA-N"	"InChI=1S/C39H75N21O10S2/c1-4-22(30(64)58-24(10-6-14-51-37(44)45)31(65)54-19(2)29(63)57-23(28(41)62)9-5-13-50-36(42)43)56-32(66)25(11-7-15-52-38(46)47)59-33(67)26(12-8-16-53-39(48)49)60-34(68)27(55-20(3)61)18-72-71-17-21(40)35(69)70/h19,21-27H,4-18,40H2,1-3H3,(H2,41,62)(H,54,65)(H,55,61)(H,56,66)(H,57,63)(H,58,64)(H,59,67)(H,60,68)(H,69,70)(H4,42,43,50)(H4,44,45,51)(H4,46,47,52)(H4,48,49,53)/t19-,21+,22-,23-,24-,25-,26-,27-/m1/s1"	""	""	""
"14020"	"GoSlo-SR-5-69"	""	"Synthetic organic"	""	""	""	""	"518520647"	"56944134"	""	""	""	""	""	""	""	"1-amino-9,10-dioxo-4-(5,6,7,8-tetrahydronaphthalen-2-ylamino)anthracene-2-sulfonic acid"	""	""	"C1CCC2=C(C1)C=CC(=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)O"	"HSQNXBYFUAQFTC-UHFFFAOYSA-N"	"InChI=1S/C24H20N2O5S/c25-22-19(32(29,30)31)12-18(26-15-10-9-13-5-1-2-6-14(13)11-15)20-21(22)24(28)17-8-4-3-7-16(17)23(20)27/h3-4,7-12,26H,1-2,5-6,25H2,(H,29,30,31)"	""	""	""
"7413"	"gosogliptin"	""	"Synthetic organic"	""	""	""	""	"178103985"	"11516136"	""	""	"CHEMBL515387"	""	""	""	""	"(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-yl]methanone"	"gosogliptin"	"PF-00734200"	"O=C(N1CCC(C1)(F)F)[C@H]1NC[C@H](C1)N1CCN(CC1)c1ncccn1"	"QWEWGXUTRTXFRF-KBPBESRZSA-N"	"InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1"	""	""	""
"4204"	"gossypol"	""	"Natural product"	""	""	""	""	"178101021"	"3503"	""	""	"CHEMBL51483"	""	""	""	""	"7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-yl)naphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1-carbaldehyde"	""	""	"O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C"	"QBKSWRVVCFFDOT-UHFFFAOYSA-N"	"InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3"	""	""	""
"14105"	"gosteganan"	""	"Peptide"	""	""	""	""	"518520732"	"176507646"	""	""	""	""	""	""	""	""	""	"HPRP-A1|PL-18"	"C([C@H](C(N[C@@H](C(N[C@H](CC=1C=2C(NC1)=CC=CC2)C(N[C@H](CCCCN)C(N)=O)=O)=O)CC(N)=O)=O)NC([C@H](NC([C@H](NC([C@H](NC([C@@H](CC3=CC=CC=C3)NC([C@H](NC([C@H](NC([C@H](NC([C@H](NC([C@H](NC([C@H](NC([C@@H](CC4=CC=CC=C4)NC(C)=O)=O)CCCCN)=O)CCCCN)=O)CC(C)C)=O)CCCCN)=O)CCCCN)=O)CC(C)C)=O)=O)CO)=O)CCCCN)=O)CC(C)C)=O)C=5C=6C(NC5)=CC=CC6"	"MQLNDKCRPLFISR-XNXSXEKGSA-N"	"InChI=1S/C103H159N25O18/c1-61(2)50-79(121-92(135)76(41-21-27-47-107)117-91(134)75(40-20-26-46-106)119-98(141)82(114-64(7)130)53-65-30-10-8-11-31-65)95(138)118-74(39-19-25-45-105)90(133)116-77(42-22-28-48-108)93(136)122-80(51-62(3)4)96(139)124-83(54-66-32-12-9-13-33-66)99(142)128-87(60-129)103(146)120-78(43-23-29-49-109)94(137)123-81(52-63(5)6)97(140)125-85(56-68-59-113-72-37-17-15-35-70(68)72)101(144)127-86(57-88(110)131)102(145)126-84(55-67-58-112-71-36-16-14-34-69(67)71)100(143)115-73(89(111)132)38-18-24-44-104/h8-17,30-37,58-59,61-63,73-87,112-113,129H,18-29,38-57,60,104-109H2,1-7H3,(H2,110,131)(H2,111,132)(H,114,130)(H,115,143)(H,116,133)(H,117,134)(H,118,138)(H,119,141)(H,120,146)(H,121,135)(H,122,136)(H,123,137)(H,124,139)(H,125,140)(H,126,145)(H,127,144)(H,128,142)/t73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-/m1/s1"	""	""	"yes"
"5973"	"G&ouml; 6976"	""	"Synthetic organic"	""	""	""	""	"178102596"	"3501"	""	""	"CHEMBL302449"	""	""	""	""	"3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl}propanenitrile"	""	"Go 6976|Go-6976|Go6976|Goe 6976"	"N#CCCn1c2ccccc2c2c1c1c(c3c2CNC3=O)c2c(n1C)cccc2"	"VWVYILCFSYNJHF-UHFFFAOYSA-N"	"InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)"	""	""	""
"5192"	"G&ouml; 6983"	""	"Synthetic organic"	""	""	""	""	"178101880"	"3499"	""	""	"CHEMBL261491"	""	""	""	""	"3-{1-[3-(dimethylamino)propyl]-5-methoxy-1H-indol-3-yl}-4-(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione"	""	"Go 6983|Go-6893|Goe 6983"	"COc1ccc2c(c1)c(cn2CCCN(C)C)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2"	"LLJJDLHGZUOMQP-UHFFFAOYSA-N"	"InChI=1S/C26H26N4O3/c1-29(2)11-6-12-30-15-20(18-13-16(33-3)9-10-22(18)30)24-23(25(31)28-26(24)32)19-14-27-21-8-5-4-7-17(19)21/h4-5,7-10,13-15,27H,6,11-12H2,1-3H3,(H,28,31,32)"	""	""	""
"335"	"G&ouml; 7874"	""	"Synthetic organic"	""	""	""	""	"135650308"	"3500"	""	""	"CHEMBL157822"	""	""	""	""	""	""	"Go 7874|Go-7874|Go7874"	"COc1ccc2c(c1)c1c3c(=O)[nH]c(=O)c3c3c(c1n2CC(CN(C)C)O)n(C)c1c3cccc1"	"NYBAPNLYWRMTJL-UHFFFAOYSA-N"	"InChI=1S/C27H26N4O4/c1-29(2)12-14(32)13-31-19-10-9-15(35-4)11-17(19)21-23-22(26(33)28-27(23)34)20-16-7-5-6-8-18(16)30(3)24(20)25(21)31/h5-11,14,32H,12-13H2,1-4H3,(H,28,33,34)"	""	""	""
"13307"	"govorestat"	""	"Synthetic organic"	""	""	""	""	"496703277"	"132260161"	""	""	"CHEMBL4650327"	""	""	""	""	"2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]thieno[3,4-d]pyridazin-1-yl]acetic acid"	"govorestat"	"AT-007|AT007"	"C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CN3C(=O)C4=CSC=C4C(=N3)CC(=O)O"	"ORQGHAJIWGGFJK-UHFFFAOYSA-N"	"InChI=1S/C17H10F3N3O3S2/c18-17(19,20)8-1-2-13-12(3-8)21-14(28-13)5-23-16(26)10-7-27-6-9(10)11(22-23)4-15(24)25/h1-3,6-7H,4-5H2,(H,24,25)"	""	""	""
"12711"	"gozanertinib"	""	"Synthetic organic"	""	""	""	""	"483123259"	"46212971"	""	""	"CHEMBL4521381"	""	""	""	""	"(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide"	"gozanertinib"	"ABT-101|ABT101|compound 78 [PMID: 31560541]|DBPR-112"	"OC[C@H](C1=CC=CC=C1)NC2=NC=NC3=C2C(C4=CC=CC(NC(/C=C/CN(C)C)=O)=C4)=C(C5=CC=CC=C5)O3"	"NQAMTZUVRFRJCZ-VMMYIZNOSA-N"	"InChI=1S/C32H31N5O3/c1-37(2)18-10-17-27(39)35-25-16-9-15-24(19-25)28-29-31(36-26(20-38)22-11-5-3-6-12-22)33-21-34-32(29)40-30(28)23-13-7-4-8-14-23/h3-17,19,21,26,38H,18,20H2,1-2H3,(H,35,39)(H,33,34,36)/b17-10+/t26-/m1/s1"	""	""	""
"11483"	"GPI-1046"	""	"Synthetic organic"	""	""	""	""	"440816851"	"445501"	""	""	"CHEMBL6367"	""	""	""	""	""	""	"GPI1046"	"CCC(C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1)(C)C"	"OQAHHWOPVDDWHD-INIZCTEOSA-N"	"InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1"	""	""	""
"10567"	"GPR15L"	"Human"	"Peptide"	""	""	""	""	"404859014"	"145996510"	"Q6UWK7"	"ENSG00000188373"	""	""	""	""	""	""	""	"antimicrobial peptide-57|colon-derived SUSD2 binding factor"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCC(=O)N)CC(C)C)C)C(C)C)C(C)C)Cc1c[nH]c2c1cccc2)CC(C)C)CCCN=C(N)N)CCC(=O)O)CCC(=O)O)CC(C)C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CCCN=C(N)N)CCCN=C(N)N)C)CCCCN)C)CO)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N1)CCC3)CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)Cc2c[nH]cn2)CCCN=C(N)N)C(C)C)CCC3)CO)CCC1)CC(=O)N)CO)[C@H](O)C)CC(=O)N)Cc1c[nH]cn1)C(C)C"	"MKYBCIBFBPPBKT-QSWODBGPSA-N"	""	"yes"	""	""
"10568"	"GPR15L (71-81)"	"Human"	"Peptide"	""	""	""	""	"404859015"	"145996511"	"Q6UWK7"	"ENSG00000188373"	""	""	""	""	""	""	""	""	"CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCC(=O)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CC(C)C)N)C)C"	"NLEQDIXNHJSWHA-UPULOONWSA-N"	"InChI=1S/C58H91N13O13/c1-29(2)24-37(59)50(75)65-40(26-35-27-61-38-17-13-12-16-36(35)38)52(77)67-46(31(5)6)55(80)68-47(32(7)8)57(82)71-23-14-18-42(71)53(78)62-28-45(73)63-34(11)49(74)66-41(25-30(3)4)56(81)70-22-15-19-43(70)54(79)64-39(20-21-44(60)72)51(76)69-48(33(9)10)58(83)84/h12-13,16-17,27,29-34,37,39-43,46-48,61H,14-15,18-26,28,59H2,1-11H3,(H2,60,72)(H,62,78)(H,63,73)(H,64,79)(H,65,75)(H,66,74)(H,67,77)(H,68,80)(H,69,76)(H,83,84)/t34-,37-,39-,40-,41-,42-,43-,46-,47-,48-/m0/s1"	""	""	""
"10207"	"GPR4 antagonist 3b"	""	"Synthetic organic"	""	""	""	""	"381744889"	"127043060"	""	""	"CHEMBL3810385"	""	""	""	""	"3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-8-(piperidin-1-ylmethyl)-6,11-dihydro-5~{H}-benzo[b][1]benzazepine"	""	"compound 3b [PMID: 27190599]"	"CCc1nc2c(n1Cc1ccc3c(c1)CCc1c(N3)ccc(c1)CN1CCCCC1)nc(cc2C)C"	"YFBWGDXTUXTMEM-UHFFFAOYSA-N"	"InChI=1S/C31H37N5/c1-4-29-34-30-21(2)16-22(3)32-31(30)36(29)20-24-9-13-28-26(18-24)11-10-25-17-23(8-12-27(25)33-28)19-35-14-6-5-7-15-35/h8-9,12-13,16-18,33H,4-7,10-11,14-15,19-20H2,1-3H3"	""	""	""
"14449"	"GPR61 inverse agonist 15"	""	"Synthetic organic"	""	""	""	""	"528429770"	"178183907"	""	""	""	""	""	""	""	"N-(5-Chloro-4,6-dimethylpyrimidin-2-yl)-6-(((3,5-difluoropyridin-4-yl)methyl)amino)-2-methylpyridine-3-sulfonamide"	""	"compound 15 [PMID: 41834467]"	"CC1=NC(NS(=O)(=O)C2=C(C)N=C(NCC3=C(F)C=NC=C3F)C=C2)=NC(C)=C1Cl"	"DGHNRLUPLTVNCV-UHFFFAOYSA-N"	"InChI=1S/C18H17ClF2N6O2S/c1-9-15(30(28,29)27-18-25-10(2)17(19)11(3)26-18)4-5-16(24-9)23-6-12-13(20)7-22-8-14(12)21/h4-5,7-8H,6H2,1-3H3,(H,23,24)(H,25,26,27)"	""	""	""
"14450"	"GPR61 inverse agonist 23"	""	"Synthetic organic"	""	""	""	""	"528429771"	"178342666"	""	""	""	""	""	""	""	"N-(5-Chloro-4,6-dimethylpyrimidin-2-yl)-6-(((3,5-difluoropyridin-4-yl)methyl)amino)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide"	""	"compound 23 [PMID: 41834467]"	"COCCN(C1=NC(C)=C(Cl)C(C)=N1)S(=O)(=O)C2=CC=C(NCC3=C(F)C=NC=C3F)N=C2OC"	"WHGNHMOXAIXMGM-UHFFFAOYSA-N"	"InChI=1S/C21H23ClF2N6O4S/c1-12-19(22)13(2)28-21(27-12)30(7-8-33-3)35(31,32)17-5-6-18(29-20(17)34-4)26-9-14-15(23)10-25-11-16(14)24/h5-6,10-11H,7-9H2,1-4H3,(H,26,29)"	""	""	""
"14448"	"GPR84 antagonist 42E2"	""	"Synthetic organic"	""	""	""	""	"528429769"	"178342665"	""	""	""	""	""	""	""	""	""	""	"CC(=O)N1C[C@H]([C@H]2COC3=C(C=CC=C3)[C@@H]12)C(=O)NCC4CCCCC4"	"SXIWGVKUWAOPIO-QWFCFKBJSA-N"	"InChI=1S/C21H28N2O3/c1-14(24)23-12-17(21(25)22-11-15-7-3-2-4-8-15)18-13-26-19-10-6-5-9-16(19)20(18)23/h5-6,9-10,15,17-18,20H,2-4,7-8,11-13H2,1H3,(H,22,25)/t17-,18-,20-/m1/s1"	""	""	""
"12799"	"GPX4 inhibitor C18"	""	"Synthetic organic"	""	""	""	""	"483123347"	"168433303"	""	""	""	""	""	""	""	"2-Chloro-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N-(4-fluoro-3,5-dimethoxyphenyl)acetamide"	""	""	"ClCC(N(C1=CC(OC)=C(F)C(OC)=C1)C2=CC3=C(OCCO3)C=C2)=O"	"HKXSBJJCHBFTMB-UHFFFAOYSA-N"	"InChI=1S/C18H17ClFNO5/c1-23-15-8-12(9-16(24-2)18(15)20)21(17(22)10-19)11-3-4-13-14(7-11)26-6-5-25-13/h3-4,7-9H,5-6,10H2,1-2H3"	""	""	""
"3880"	"GR100679"	""	"Peptide"	""	""	""	""	"178100716"	"5311129"	""	""	"CHEMBL174356"	""	""	""	""	"N-[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-dimethylamino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide"	""	"GR 100679|GR-100679"	"O=C(N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N(C)C)Cc1ccccc1)Cc1c[nH]c2c1cccc2)C)CNC(=O)C1CCCCC1"	"IBHXDZADSPABSD-GJDOKZOISA-N"	"InChI=1S/C34H44N6O5/c1-22(37-30(41)21-36-32(43)24-14-8-5-9-15-24)31(42)38-28(19-25-20-35-27-17-11-10-16-26(25)27)33(44)39-29(34(45)40(2)3)18-23-12-6-4-7-13-23/h4,6-7,10-13,16-17,20,22,24,28-29,35H,5,8-9,14-15,18-19,21H2,1-3H3,(H,36,43)(H,37,41)(H,38,42)(H,39,44)/t22-,28+,29-/m0/s1"	""	""	""
"247"	"GR 113808"	""	"Synthetic organic"	""	""	""	""	"135650309"	"119376"	""	""	"CHEMBL33884"	""	""	""	""	"[1-(2-methanesulfonamidoethyl)piperidin-4-yl]methyl 1-methylindole-3-carboxylate"	""	"GR 125487|GR-113,808|GR-113808|GR113808"	"O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C"	"MOZPSIXKYJUTKI-UHFFFAOYSA-N"	"InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3"	""	""	""
"248"	"GR 125487"	""	"Synthetic organic"	""	""	""	""	"135650310"	"4284721"	""	""	"CHEMBL471233"	""	""	""	""	"[1-(2-methanesulfonamidoethyl)piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate"	""	"GR-125487|GR125487"	"COc1[nH]c2c(c1C(=O)OCC1CCN(CC1)CCNS(=O)(=O)C)cc(cc2)F"	"SSPCCAYAIDNNJX-UHFFFAOYSA-N"	"InChI=1S/C19H26FN3O5S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26/h3-4,11,13,21-22H,5-10,12H2,1-2H3"	""	""	""
"69"	"GR 125,743"	""	"Synthetic organic"	""	""	""	""	"135650311"	"5311130"	""	""	"CHEMBL1908856"	""	""	""	""	"N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-pyridin-4-ylbenzamide"	""	"GR 125743|GR125743"	"COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(c(c1)C)c1ccncc1"	"GNOXPYACARZYMW-UHFFFAOYSA-N"	"InChI=1S/C25H28N4O2/c1-18-16-20(4-6-22(18)19-8-10-26-11-9-19)25(30)27-21-5-7-24(31-3)23(17-21)29-14-12-28(2)13-15-29/h4-11,16-17H,12-15H2,1-3H3,(H,27,30)"	""	""	""
"14"	"GR 127935"	""	"Synthetic organic"	""	""	""	""	"135650312"	"107780"	""	""	"CHEMBL15928"	""	""	""	""	"N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide"	""	"GR-127935|GR127935"	"COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C"	"YDBCEBYHYKAFRX-UHFFFAOYSA-N"	"InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)"	""	""	""
"1348"	"GR 128107"	""	"Synthetic organic"	""	""	""	""	"135650313"	"44208891"	""	""	"CHEMBL3260983"	""	""	""	""	"1-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone"	""	"GR-128107|GR128107|L000276"	"COc1ccc2c(c1)c(c[nH]2)C1CCCN(C1)C(=O)C"	"RBINAFTXZHPTNU-UHFFFAOYSA-N"	"InChI=1S/C16H20N2O2/c1-11(19)18-7-3-4-12(10-18)15-9-17-16-6-5-13(20-2)8-14(15)16/h5-6,8-9,12,17H,3-4,7,10H2,1-2H3"	""	""	""
"2128"	"GR138676"	""	"Peptide"	""	""	""	""	"135652174"	"25088319"	""	""	""	""	""	""	""	""	""	"GR 138676|GR-138676"	"CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CC[C@H]2[C@@H]1C(=O)N(C2)[C@@H](C(=O)NC(COCc1ccccc1)COCc1ccccc1)CC(C)C)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)CC(=O)O)Cc1[nH]cnc1)NC(=O)[C@H](CC(=O)O)N"	"SHZVIDXXKGEHEF-QEPUNBJPSA-N"	"InChI=1S/C75H92N12O15S/c1-47(2)33-63(73(98)79-55(44-101-42-51-25-15-7-16-26-51)45-102-43-52-27-17-8-18-28-52)87-41-53-29-31-86(66(53)75(87)100)74(99)62(36-50-23-13-6-14-24-50)85-70(95)59(35-49-21-11-5-12-22-49)81-69(94)58(34-48-19-9-4-10-20-48)82-72(97)61(39-65(90)91)84-71(96)60(37-54-40-77-46-78-54)83-68(93)57(30-32-103-3)80-67(92)56(76)38-64(88)89/h4-28,40,46-47,53,55-63,66H,29-39,41-45,76H2,1-3H3,(H,77,78)(H,79,98)(H,80,92)(H,81,94)(H,82,97)(H,83,93)(H,84,96)(H,85,95)(H,88,89)(H,90,91)/t53-,56+,57+,58+,59+,60+,61+,62+,63-,66-/m1/s1"	""	""	""
"14456"	"GR1.4"	""	"Peptide"	""	""	""	""	"528429777"	"178342669"	""	""	""	""	""	""	""	""	""	""	"NC(CNC([C@H](CO)NC([C@H]1NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H]2CCCN2C([C@@H](NC([C@H](CSSC1)NC([C@@H](N[H])C)=O)=O)CCC(O)=O)=O)=O)CC(C)C)=O)=O)CC3=CC=C(O)C=C3)=O)CC(N)=O)=O)CC(C)C)=O)CC4=CC=CC=C4)=O)CC(C)C)=O)=O)=O)=O"	"KNYPOPQRIVSPGJ-STNRZJKRSA-N"	"InChI=1S/C66H98N16O19S2/c1-33(2)22-41-56(91)71-29-53(87)72-44(26-38-15-17-39(84)18-16-38)60(95)77-46(27-51(68)85)62(97)75-42(23-34(3)4)58(93)76-45(25-37-12-9-8-10-13-37)61(96)74-43(24-35(5)6)59(94)81-49(64(99)79-47(30-83)57(92)70-28-52(69)86)32-103-102-31-48(80-55(90)36(7)67)63(98)73-40(19-20-54(88)89)66(101)82-21-11-14-50(82)65(100)78-41/h8-10,12-13,15-18,33-36,40-50,83-84H,11,14,19-32,67H2,1-7H3,(H2,68,85)(H2,69,86)(H,70,92)(H,71,91)(H,72,87)(H,73,98)(H,74,96)(H,75,97)(H,76,93)(H,77,95)(H,78,100)(H,79,99)(H,80,90)(H,81,94)(H,88,89)/t36-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1"	""	""	""
"6587"	"GR 144053"	""	"Synthetic organic"	""	""	""	""	"178103200"	"173614"	""	""	"CHEMBL36326"	""	""	""	""	"2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]acetic acid"	""	"GR 144053 trihydrochloride|GR-144053|GR144053"	"OC(=O)CN1CCC(CC1)N1CCN(CC1)c1ccc(cc1)C(=N)N"	"QGEGSJUSWLLZLH-UHFFFAOYSA-N"	"InChI=1S/C18H27N5O2/c19-18(20)14-1-3-15(4-2-14)22-9-11-23(12-10-22)16-5-7-21(8-6-16)13-17(24)25/h1-4,16H,5-13H2,(H3,19,20)(H,24,25)"	""	""	""
"6701"	"GR148672X"	""	"Synthetic organic"	""	""	""	""	"178103312"	"135457124"	""	""	""	""	""	""	""	"(2E)-4,4,4-trifluoro-2-[(3-methylphenyl)hydrazinylidene]-1-thiophen-2-ylbutane-1,3-dione"	""	""	"Cc1cccc(c1)N/N=C(\C(=O)C(F)(F)F)/C(=O)c1cccs1"	"YNUQHMHMYSUKFL-NDENLUEZSA-N"	"InChI=1S/C15H11F3N2O2S/c1-9-4-2-5-10(8-9)19-20-12(14(22)15(16,17)18)13(21)11-6-3-7-23-11/h2-8,19H,1H3/b20-12-"	""	""	""
"2115"	"GR 159897"	""	"Synthetic organic"	""	""	""	""	"135650314"	"9953599"	""	""	"CHEMBL2110370"	""	""	""	""	"5-fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulfinyl]methyl]piperidin-1-yl]ethyl]-1H-indole"	""	"GR-159,897|GR-159897|GR159897"	"COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1"	"BANYJBHWTOJQDU-GDLZYMKVSA-N"	"InChI=1S/C23H27FN2O2S/c1-28-23(17-29(27)20-5-3-2-4-6-20)10-13-26(14-11-23)12-9-18-16-25-22-8-7-19(24)15-21(18)22/h2-8,15-16,25H,9-14,17H2,1H3/t29-/m1/s1"	""	""	""
"1243"	"GR 175737"	""	"Synthetic organic"	""	""	""	""	"135650315"	"9838905"	""	""	"CHEMBL276798"	""	""	""	""	"3-[(4-chlorophenyl)methyl]-5-[2-(3H-imidazol-4-yl)ethyl]-1,2,4-oxadiazole"	""	"GR-175737|GR175737"	"Clc1ccc(cc1)Cc1noc(n1)CCc1cnc[nH]1"	"CPOUJACQGWJJQB-UHFFFAOYSA-N"	"InChI=1S/C14H13ClN4O/c15-11-3-1-10(2-4-11)7-13-18-14(20-19-13)6-5-12-8-16-9-17-12/h1-4,8-9H,5-7H2,(H,16,17)"	""	""	""
"1349"	"GR 196429"	""	"Synthetic organic"	""	""	""	""	"135650316"	"5311134"	""	""	""	""	""	""	""	"N-[2-(2,3,7,8-tetrahydrofuro[2,3-g]indol-1-yl)ethyl]acetamide"	""	"GR-196429|GR196429"	"CC(=O)NCCN1CCc2c1c1CCOc1cc2"	"LTYWTNUOUBBVNZ-UHFFFAOYSA-N"	"InChI=1S/C14H18N2O2/c1-10(17)15-6-8-16-7-4-11-2-3-13-12(14(11)16)5-9-18-13/h2-3H,4-9H2,1H3,(H,15,17)"	""	""	""
"70"	"GR 218,231"	""	"Synthetic organic"	""	""	""	""	"135650317"	"5312124"	""	""	"CHEMBL131556"	""	""	""	""	"(2R)-6-[(4-methoxyphenyl)sulfonylmethyl]-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine"	""	"GR 218231|GR218231"	"CCCN([C@@H]1CCc2c(C1)ccc(c2)CS(=O)(=O)c1ccc(cc1)OC)CCC"	"HUXFXXWYIRBVJR-JOCHJYFZSA-N"	"InChI=1S/C24H33NO3S/c1-4-14-25(15-5-2)22-9-8-20-16-19(6-7-21(20)17-22)18-29(26,27)24-12-10-23(28-3)11-13-24/h6-7,10-13,16,22H,4-5,8-9,14-15,17-18H2,1-3H3/t22-/m1/s1"	""	""	""
"1529"	"GR231118"	""	"Peptide"	""	""	""	""	"135652175"	"0"	""	""	""	""	""	""	""	""	""	"GR 231118|GR-231118|GW 1229|GW-1229|GW1229"	""	""	""	""	""	""
"14457"	"GR3.1.2"	""	"Peptide"	""	""	""	""	"528429778"	"178342670"	""	""	""	""	""	""	""	""	""	""	"NC(CNC([C@H](CO)NC([C@H]1NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H]2CSSC[C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CSSC1)NC([C@@H](N[H])C)=O)=O)CC3=CC=CC=C3)=O)CC(C)C)=O)CCCNC(N)=N)=O)C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N[C@@H](C(C)C)C(N[C@@H](CCCCN)C(=O)N2)=O)=O)CC(O)=O)=O)=O)CC4=CN=CN4)=O)=O)CC5=CNC6=C5C=CC=C6)=O)CC(C)C)=O)CC7=CNC8=C7C=CC=C8)=O)=O)=O)=O"	"BHQANHSYTPSOHV-MLNVAFRMSA-N"	"InChI=1S/C96H140N30O21S4/c1-48(2)31-63-83(136)111-62(27-18-30-106-96(102)103)82(135)124-73-45-150-149-44-72(123-81(134)60(25-15-16-28-97)113-94(147)77(50(5)6)126-89(142)69(37-76(129)130)120-80(133)61(26-17-29-105-95(100)101)112-88(141)68(119-92(73)145)36-55-40-104-47-110-55)91(144)118-66(34-53-38-107-58-23-13-11-21-56(53)58)86(139)115-64(32-49(3)4)84(137)117-67(35-54-39-108-59-24-14-12-22-57(54)59)87(140)125-74(93(146)121-70(42-127)79(132)109-41-75(99)128)46-151-148-43-71(122-78(131)51(7)98)90(143)116-65(85(138)114-63)33-52-19-9-8-10-20-52/h8-14,19-24,38-40,47-51,60-74,77,107-108,127H,15-18,25-37,41-46,97-98H2,1-7H3,(H2,99,128)(H,104,110)(H,109,132)(H,111,136)(H,112,141)(H,113,147)(H,114,138)(H,115,139)(H,116,143)(H,117,137)(H,118,144)(H,119,145)(H,120,133)(H,121,146)(H,122,131)(H,123,134)(H,124,135)(H,125,140)(H,126,142)(H,129,130)(H4,100,101,105)(H4,102,103,106)/t51-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,77-/m0/s1"	""	""	""
"10257"	"GR-389988"	""	"Synthetic organic"	""	""	""	""	"381744939"	"118009787"	""	""	"CHEMBL3673452"	""	""	""	""	""	""	"Ex. 3-15 [US9174986B2]|GR389988|GZ389988|GZ389988A"	"COc1cc(ccc1OCc1ccc(cc1)OC)Cn1c(N)nc2c1ncc(c2)c1cnn(c1)C"	"HVRWZFQFSQUILC-UHFFFAOYSA-N"	"InChI=1S/C26H26N6O3/c1-31-15-20(13-29-31)19-11-22-25(28-12-19)32(26(27)30-22)14-18-6-9-23(24(10-18)34-3)35-16-17-4-7-21(33-2)8-5-17/h4-13,15H,14,16H2,1-3H3,(H2,27,30)"	"yes"	""	""
"113"	"GR-55562"	""	"Synthetic organic"	""	""	""	""	"135650319"	"128018"	""	""	"CHEMBL119264"	""	""	""	""	"3-(3-dimethylaminopropyl)-4-hydroxy-N-(4-pyridin-4-ylphenyl)benzamide"	""	"GR 55562|GR55562"	"CN(CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)c1ccncc1)C"	"ZAGAUUVCYGSPBP-UHFFFAOYSA-N"	"InChI=1S/C23H25N3O2/c1-26(2)15-3-4-19-16-20(7-10-22(19)27)23(28)25-21-8-5-17(6-9-21)18-11-13-24-14-12-18/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,28)"	""	""	""
"1937"	"GR 63799"	""	"Synthetic organic"	""	""	""	""	"135650320"	"5311224"	""	""	""	""	""	""	""	"[4-(benzoylamino)phenyl] (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(2R)-2-hydroxy-3-(phenoxy)propoxy]-5-oxocyclopentyl]hept-5-enoate"	""	"GR-63799|GR-63799X|GR63799"	"O[C@H](CO[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)Oc1ccc(cc1)NC(=O)c1ccccc1)COc1ccccc1"	"KVSPDLWJCJFYEZ-CZQLRZFZSA-N"	"InChI=1S/C34H37NO8/c36-26(22-41-27-13-7-4-8-14-27)23-42-33-29(30(37)21-31(33)38)15-9-1-2-10-16-32(39)43-28-19-17-25(18-20-28)35-34(40)24-11-5-3-6-12-24/h1,3-9,11-14,17-20,26,29,31,33,36,38H,2,10,15-16,21-23H2,(H,35,40)/b9-1-/t26-,29-,31+,33+/m0/s1"	""	""	""
"3881"	"GR64349"	""	"Peptide"	""	""	""	""	"178100717"	"0"	""	""	""	""	""	""	""	""	""	"GR-64349|Lys-Asp-Ser-Phe-Val-Gly-(<i>R</i>-<i>&gamma;</i>-lactam)"	""	""	""	""	""	""
"3288"	"GR79236"	""	"Synthetic organic"	""	""	""	""	"178100329"	"9884817"	""	""	"CHEMBL2163568"	""	""	""	""	"(2R,3R,4S,5R)-2-(6-{[(1S,2S)-2-hydroxycyclopentyl]amino}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol"	""	"GR 79236|N-[(1s,2s)-2-hydroxycyclopentyl adenosine"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H]1CCC[C@@H]1O"	"GYWXTRVEUURNEW-TVDBPQCTSA-N"	"InChI=1S/C15H21N5O5/c21-4-9-11(23)12(24)15(25-9)20-6-18-10-13(16-5-17-14(10)20)19-7-2-1-3-8(7)22/h5-9,11-12,15,21-24H,1-4H2,(H,16,17,19)/t7-,8-,9+,11+,12+,15+/m0/s1"	""	""	""
"1649"	"GR 89696"	""	"Synthetic organic"	""	""	""	""	"135650321"	"3505"	""	""	"CHEMBL603370"	""	""	""	""	"methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate"	""	"GR 85571|GR-103545|GR-89696"	"COC(=O)N1CCN(C(C1)CN1CCCC1)C(=O)Cc1ccc(c(c1)Cl)Cl"	"HJUAKZYKCANOOZ-UHFFFAOYSA-N"	"InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3"	""	""	""
"3882"	"GR94800"	""	"Peptide"	""	""	""	""	"178100718"	"6324620"	""	""	""	""	""	""	""	"(2S)-N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-1-[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-(benzoylamino)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide"	""	"GR 94800|GR-94800"	"CC[C@@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccccc1)C)C)Cc1ccccc1)C"	"KIPTYYXCLIQOHM-KKMBCTKYSA-N"	"InChI=1S/C49H61N9O8/c1-5-29(2)41(42(50)59)56-47(64)39-22-14-24-57(39)49(66)40-23-15-25-58(40)48(65)38(26-32-16-8-6-9-17-32)55-46(63)37(27-34-28-51-36-21-13-12-20-35(34)36)54-44(61)31(4)52-43(60)30(3)53-45(62)33-18-10-7-11-19-33/h6-13,16-21,28-31,37-41,51H,5,14-15,22-27H2,1-4H3,(H2,50,59)(H,52,60)(H,53,62)(H,54,61)(H,55,63)(H,56,64)/t29-,30-,31-,37+,38-,39-,40+,41-/m0/s1"	""	""	""
"13991"	"GRA2"	""	"Synthetic organic"	""	""	""	""	"518520618"	"7314087"	""	""	""	""	""	""	""	"2-naphthalen-1-yloxy-N-(2-phenoxyphenyl)acetamide"	""	""	"C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)COC3=CC=CC4=CC=CC=C43"	"DHEDDHQEGVSGOT-UHFFFAOYSA-N"	"InChI=1S/C24H19NO3/c26-24(17-27-22-16-8-10-18-9-4-5-13-20(18)22)25-21-14-6-7-15-23(21)28-19-11-2-1-3-12-19/h1-16H,17H2,(H,25,26)"	""	""	""
"12436"	"grandinin"	""	"Natural product"	""	""	""	""	"479821226"	"492392"	""	""	""	""	""	""	""	""	""	""	"C1C2C(C3C4[C@@H](C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)C8([C@@H]([C@@H](C(O8)CO)O)O)O)OC(=O)C9=CC(=C(C(=C9C%10=C(C(=C(C=C%10C(=O)O1)O)O)O)O)O)O"	"GCEXRPOQEVIITL-XJDSPLDHSA-N"	"InChI=1S/C46H34O30/c47-4-12-27(54)40(64)46(70,76-12)23-22-21-19(33(60)36(63)34(22)61)18-20-17(31(58)35(62)32(18)59)16-8(3-11(50)26(53)30(16)57)42(66)72-13-5-71-41(65)6-1-9(48)24(51)28(55)14(6)15-7(2-10(49)25(52)29(15)56)43(67)73-37(13)39(75-44(20)68)38(23)74-45(21)69/h1-3,12-13,23,27,37-40,47-64,70H,4-5H2/t12?,13?,23-,27-,37?,38?,39?,40-,46?/m1/s1"	""	""	""
"2300"	"granisetron"	""	"Synthetic organic"	"yes"	""	""	""	"135650322"	"5284566"	""	""	""	""	""	""	""	"1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide"	"granisetron"	"BRL 43694|BRL-43694|Kytril&reg;|LY-278584|Sancuso&reg;|Sustol&reg;"	"CN1[C@@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(c2c1cccc2)C"	"MFWNKCLOYSRHCJ-AGUYFDCRSA-N"	"InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12?,13-,14+"	""	""	""
"5858"	"grapiprant"	""	"Synthetic organic"	""	""	""	""	"178102482"	"11677589"	""	""	"CHEMBL3039498"	""	""	""	""	"1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea"	"grapiprant"	"AT-001|CJ 023423|CJ-023423|RQ-00000007"	"CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C"	"HZVLFTCYCLXTGV-UHFFFAOYSA-N"	"InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)"	""	""	""
"12844"	"GRASP"	""	"Peptide"	""	""	""	""	"483123392"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8674"	"grassystatin A"	""	"Natural product"	""	""	""	""	"252166874"	"44255320"	""	""	"CHEMBL567893"	""	""	""	""	"methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(3S,4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[(2S)-2-[(2S)-2-(dimethylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate"	""	""	"COC(=O)[C@@H]1CCCN1C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)C[C@@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)OC(=O)[C@@H](N(C)C)C(C)C)CC(C)C)CC(=O)N)CC(C)C)O)C)C)Cc1ccccc1"	"JZYWSTGTBRHGTL-BIXXXADNSA-N"	"InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1"	""	""	""
"13882"	"grassystatin G"	""	"Natural product"	""	""	""	""	"513757567"	"175670501"	""	""	""	""	""	""	""	""	""	""	"COC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](O)C(C)C"	"MVOBGHKZTCVMLU-ALFWBBTESA-N"	"InChI=1S/C41H67N5O9/c1-24(2)19-29(43-37(50)33(21-26(5)6)45(9)39(52)30(20-25(3)4)44-38(51)36(49)27(7)8)34(47)23-35(48)42-31(22-28-15-12-11-13-16-28)40(53)46-18-14-17-32(46)41(54)55-10/h11-13,15-16,24-27,29-34,36,47,49H,14,17-23H2,1-10H3,(H,42,48)(H,43,50)(H,44,51)/t29-,30-,31-,32-,33-,34-,36+/m0/s1"	""	""	""
"2628"	"grayanotoxin III"	""	"Natural product"	""	""	""	""	"135652689"	"11057730"	""	""	"CHEMBL454313"	""	""	""	""	""	""	""	"O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H](C2)O)(C)O)(C)O"	"BWMFRQKICHXLSH-FIRPSQKQSA-N"	"InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10-,11+,12+,13+,14-,15-,17-,18-,19+,20+/m1/s1"	""	""	""
"11573"	"grazoprevir"	""	"Synthetic organic"	"yes"	""	""	""	"441604945"	"44603531"	""	""	"CHEMBL2063090"	""	""	""	""	""	"grazoprevir"	"analog 15 [PMID: 24900473]|MK-5172|MK5172|Zepatier&reg; [elbasvir (NS5A inhibitor) + grazoprevir]"	"C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(O2)nc2cc(OC)ccc2n1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1"	"OBMNJSNZOWALQB-NCQNOWPTSA-N"	"InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1"	""	""	""
"11768"	"gremlin 1"	"Human"	"Peptide"	""	""	""	""	"458923803"	"0"	"O60565"	"ENSG00000166923"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"13374"	"gremubamab"	""	"Antibody"	""	""	""	""	"496703344"	"0"	""	""	"CHEMBL4298031"	""	""	""	""	""	"gremubamab"	"MEDI3902"	""	""	""	""	""	"yes"
"10818"	"grepafloxacin"	""	"Synthetic organic"	"yes"	"yes"	""	""	"405560259"	"72474"	""	""	"CHEMBL583"	""	""	""	""	"1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid"	"grepafloxacin"	"OPC 17116|OPC-17116|OPC17116|Raxar&reg;"	"CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O"	"AIJTTZAVMXIJGM-UHFFFAOYSA-N"	"InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)"	""	""	"yes"
"6580"	"GRI977143"	""	"Synthetic organic"	""	""	""	""	"178103194"	"73755227"	""	""	""	""	""	""	""	"2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzaldehyde"	""	"GRI-977143"	"O=Cc1ccccc1SCCCn1c(=O)c2cccc3c2c(c1=O)ccc3"	"IYUOFUODBWFCBK-UHFFFAOYSA-N"	"InChI=1S/C22H17NO3S/c24-14-16-6-1-2-11-19(16)27-13-5-12-23-21(25)17-9-3-7-15-8-4-10-18(20(15)17)22(23)26/h1-4,6-11,14H,5,12-13H2"	""	""	""
"5588"	"grifolic acid"	""	"Natural product"	""	""	""	""	"178102223"	"9976563"	""	""	"CHEMBL513978"	""	""	""	""	"2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid"	""	"ilicicolinic acid B"	"C/C(=C\Cc1c(O)cc(c(c1O)C(=O)O)C)/CC/C=C(/CCC=C(C)C)\C"	"QPIZDZGIXDKCRC-JTCWOHKRSA-N"	"InChI=1S/C23H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-20(24)14-18(5)21(22(19)25)23(26)27/h8,10,12,14,24-25H,6-7,9,11,13H2,1-5H3,(H,26,27)/b16-10+,17-12+"	""	""	""
"5589"	"grifolic acid methyl ether"	""	"Natural product"	""	""	""	""	"178102224"	"11531145"	""	""	""	""	""	""	""	"2-hydroxy-4-methoxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid"	""	""	"COc1cc(C)c(c(c1C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)C(=O)O"	"ARZABMWMUVWDJX-OUBUNXTGSA-N"	"InChI=1S/C24H34O4/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-20-21(28-6)15-19(5)22(23(20)25)24(26)27/h9,11,13,15,25H,7-8,10,12,14H2,1-6H3,(H,26,27)/b17-11+,18-13+"	""	""	""
"11173"	"GRL-0496"	""	"Synthetic organic"	""	""	""	""	"434122233"	"25110701"	""	""	"CHEMBL490820"	""	""	""	""	"(5-chloropyridin-3-yl) 1H-indole-4-carboxylate"	""	"ALP-POS-c59291d4-5|compound 10 [PMID:18796354]|GRL0496"	"Clc1cncc(c1)OC(=O)c1cccc2c1cc[nH]2"	"BOSZJNSICHFHMA-UHFFFAOYSA-N"	"InChI=1S/C14H9ClN2O2/c15-9-6-10(8-16-7-9)19-14(18)12-2-1-3-13-11(12)4-5-17-13/h1-8,17H"	""	""	""
"11078"	"GRL-0617"	""	"Synthetic organic"	""	""	""	""	"434122139"	"24941262"	""	""	"CHEMBL549695"	""	""	""	""	"5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide"	""	"compound 25 [PMID: 19645480]|GRL0617"	"Nc1ccc(c(c1)C(=O)N[C@@H](c1cccc2c1cccc2)C)C"	"UVERBUNNCOKGNZ-CQSZACIVSA-N"	"InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1"	""	""	""
"6428"	"GRN-529"	""	"Synthetic organic"	""	""	""	""	"178103044"	"59548652"	""	""	"CHEMBL3122220"	""	""	""	""	"2-{2-[2-(difluoromethoxy)-5-({5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}carbonyl)phenyl]ethynyl}pyridine"	""	""	"FC(Oc1ccc(cc1C#Cc1ccccn1)C(=O)N1Cc2c(C1)cccn2)F"	"JITMSIRHBAVREW-UHFFFAOYSA-N"	"InChI=1S/C22H15F2N3O2/c23-22(24)29-20-9-7-16(12-15(20)6-8-18-5-1-2-10-25-18)21(28)27-13-17-4-3-11-26-19(17)14-27/h1-5,7,9-12,22H,13-14H2"	""	""	""
"12468"	"grosheimin"	""	"Natural product"	""	""	""	""	"479821258"	"442256"	""	""	"CHEMBL271958"	""	""	""	""	"(3aR,4S,6aR,9S,9aR,9bR)-4-hydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-2,8-dione"	""	"grossheimin"	"C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H]([C@@H]3[C@@H]2OC(=O)C3=C)O"	"YGMIBVIKXJJQQJ-MSOSQAFRSA-N"	"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1"	""	""	""
"5827"	"group E 1682-2106 [PMID:16118363]"	""	"Synthetic organic"	""	""	""	""	"178102452"	"5322194"	""	""	"CHEMBL1770295"	""	""	""	""	"3-methyl-2-[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid"	""	""	"CC(C(N1C(=S)S/C(=C\2/c3ccccc3N(C2=O)C)/C1=O)C(=O)O)C"	"ICRQMQBVDGOOFY-QBFSEMIESA-N"	"InChI=1S/C17H16N2O4S2/c1-8(2)12(16(22)23)19-15(21)13(25-17(19)24)11-9-6-4-5-7-10(9)18(3)14(11)20/h4-8,12H,1-3H3,(H,22,23)/b13-11-"	""	""	""
"4935"	"growth arrest specific protein 6"	"Human"	"Peptide"	""	""	""	""	"178101633"	"0"	"Q14393"	"ENSG00000183087"	""	""	""	""	""	""	""	"AXL receptor tyrosine kinase ligand|Gas6"	""	""	""	""	""	""
"4936"	"growth/differentiation factor-1"	"Human"	"Peptide"	""	""	""	""	"178101634"	"0"	"P27539"	"ENSG00000130283"	""	""	""	""	""	""	""	"embryonic growth/differentiation factor 1|GDF-1|GDF1"	""	""	""	""	""	""
"4937"	"growth/differentiation factor-10"	"Human"	"Peptide"	""	""	""	""	"178101635"	"0"	"P55107"	"ENSG00000266524"	""	""	""	""	""	""	""	"bone morphogenetic protein 3B (BMP-3B)|bone-inducing protein (BIP)|GDF-10|GDF10"	""	""	""	""	""	""
"4876"	"growth/differentiation factor-11"	"Human"	"Peptide"	""	""	""	""	"178101576"	"0"	"O95390"	"ENSG00000135414"	""	""	""	""	""	""	""	"BMP11|bone morphogenetic protein 11|GDF-11"	""	""	""	""	""	""
"9735"	"growth differentiation factor 15"	"Human"	"Peptide"	""	""	""	""	"354702211"	"0"	"Q99988"	"ENSG00000130513"	""	""	""	""	""	""	""	"GDF15|macrophage inhibitory cytokine-1|MIC-1|MIC1|PTGFB"	""	""	""	""	""	""
"4938"	"growth/differentiation factor-3"	"Human"	"Peptide"	""	""	""	""	"178101636"	"0"	"Q9NR23"	"ENSG00000184344"	""	""	""	""	""	""	""	"GDF-3|GDF3"	""	""	""	""	""	""
"4879"	"growth/differentiation factor-5"	"Human"	"Peptide"	""	""	""	""	"178101579"	"0"	"P43026"	"ENSG00000125965"	""	""	""	""	""	""	""	"BMP-14|bone morphogenetic protein 14|cartilage-derived morphogenetic protein 1 (CDMP-1)|GDF5|growth/differentiation factor 5 (GDF-5)|radotermin"	""	""	""	""	""	""
"4878"	"growth/differentiation factor-6"	"Human"	"Peptide"	""	""	""	""	"178101578"	"0"	"Q6KF10"	"ENSG00000156466"	""	""	""	""	""	""	""	"BMP13|bone morphogenetic protein 13|GDF-6|GDF6|growth/differentiation factor 16"	""	""	""	""	""	""
"4877"	"growth/differentiation factor-7"	"Human"	"Peptide"	""	""	""	""	"178101577"	"0"	"Q7Z4P5"	"ENSG00000143869"	""	""	""	""	""	""	""	"BMP12|GDF-7|GDF7"	""	""	""	""	""	""
"4939"	"growth/differentiation factor-9"	"Human"	"Peptide"	""	""	""	""	"178101637"	"0"	"O60383"	"ENSG00000164404"	""	""	""	""	""	""	""	"GDF-9|GDF9"	""	""	""	""	""	""
"4943"	"growth hormone 1"	"Human"	"Peptide"	"yes"	""	""	""	"178101641"	"0"	"P01241"	"ENSG00000259384"	""	""	""	""	""	""	"somatropin"	"NutropinAq&reg;|Omnitrope&reg;|Saizen&reg;|somatotropin"	""	""	""	""	""	""
"4944"	"growth hormone 2"	"Human"	"Peptide"	""	""	""	""	"178101642"	"0"	"P01242"	"ENSG00000136487"	""	""	""	""	""	""	""	"GH2"	""	""	""	""	""	""
"3582"	"GRP-(18-27)"	"Human, Pig"	"Peptide"	""	""	""	""	"135651782"	"0"	"P07492|P63153"	"ENSG00000134443"	""	""	""	""	""	""	""	"GRP (18-27)|GRP(18-27)|GRP-18-27"	""	""	""	""	""	""
"3583"	"GRP-(18-27)"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651781"	"0"	"Q8R1I2|P24393"	"ENSMUSG00000024517|ENSRNOG00000016999"	""	""	""	""	""	""	""	"GRP (18-27)|GRP(18-27)|neuromedin C"	""	""	""	""	""	""
"10118"	"Grp94 inhibitor 54"	""	"Synthetic organic"	""	""	""	""	"381118828"	"137321151"	""	""	""	""	""	""	""	"4'-(propan-2-yl)-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}-[1,1'-biphenyl]-3-carboxamide"	""	""	"O[C@@H]1CC[C@H](CC1)Nc1ccc(cc1C(=O)N)c1ccc(cc1)C(C)C"	"JMGDXIHGWTVBMX-WGSAOQKQSA-N"	"InChI=1S/C22H28N2O2/c1-14(2)15-3-5-16(6-4-15)17-7-12-21(20(13-17)22(23)26)24-18-8-10-19(25)11-9-18/h3-7,12-14,18-19,24-25H,8-11H2,1-2H3,(H2,23,26)/t18-,19-"	"yes"	""	""
"14082"	"gruticibart"	""	"Antibody"	""	""	""	""	"518520709"	"0"	""	""	""	""	""	""	""	""	"gruticibart"	"AB-023|AB023|xisomab 3G3"	""	""	""	""	""	""
"5446"	"GS39783"	""	"Synthetic organic"	""	""	""	""	"178102097"	"6604928"	""	""	"CHEMBL392394"	""	""	""	""	"4-N,6-N-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine"	""	"GS-39783"	"CSc1nc(NC2CCCC2)c(c(n1)NC1CCCC1)[N+](=O)[O-]"	"GSGVDKOCBKBMGG-UHFFFAOYSA-N"	"InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)"	""	""	""
"11445"	"GS-441524"	""	"Synthetic organic"	""	""	""	""	"440816814"	"44468216"	""	""	"CHEMBL2016757"	""	""	""	""	""	""	"EVO-984|EVO984|GS441524"	"OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(C#N)c1ccc2n1ncnc2N"	"BRDWIEOJOWJCLU-LTGWCKQJSA-N"	"InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1"	""	""	""
"10430"	"GS-444217"	""	"Synthetic organic"	""	""	""	""	"385612190"	"57504987"	""	""	""	""	""	""	""	"4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide"	""	""	"O=C(c1nccc(c1)n1cnc(c1)C1CC1)Nc1cccc(c1)c1nncn1C1CC1"	"ZGCMQKWOUIMBEP-UHFFFAOYSA-N"	"InChI=1S/C23H21N7O/c31-23(20-11-19(8-9-24-20)29-12-21(25-13-29)15-4-5-15)27-17-3-1-2-16(10-17)22-28-26-14-30(22)18-6-7-18/h1-3,8-15,18H,4-7H2,(H,27,31)"	""	""	""
"9858"	"GS-458967"	""	"Synthetic organic"	""	""	""	""	"363894152"	"58118983"	""	""	""	""	""	""	""	"6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine"	""	"GS967"	"FC(Oc1ccc(cc1)c1ccc2n(c1)c(nn2)C(F)(F)F)(F)F"	"FEVBKJITJDHASC-UHFFFAOYSA-N"	"InChI=1S/C14H7F6N3O/c15-13(16,17)12-22-21-11-6-3-9(7-23(11)12)8-1-4-10(5-2-8)24-14(18,19)20/h1-7H"	""	""	""
"11840"	"GS-621763"	""	"Synthetic organic"	""	""	""	""	"461663396"	"162625114"	""	""	""	""	""	""	""	"[(2R,3R,4R,5R)-5-{4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl}-5-cyano-3,4-bis[(2-methylpropanoyl)oxy]oxolan-2-yl]methyl 2-methylpropanoate"	""	"GS621763"	"CC(C)C(=O)OC[C@H]1O[C@](C#N)([C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)c1ccc2n1ncnc2N"	"RVSSLHFYCSUAHY-JQGROFRJSA-N"	"InChI=1S/C24H31N5O7/c1-12(2)21(30)33-9-16-18(34-22(31)13(3)4)19(35-23(32)14(5)6)24(10-25,36-16)17-8-7-15-20(26)27-11-28-29(15)17/h7-8,11-14,16,18-19H,9H2,1-6H3,(H2,26,27,28)/t16-,18-,19-,24+/m1/s1"	""	""	""
"5593"	"GS9667"	""	"Synthetic organic"	""	""	""	""	"178102228"	"11561692"	""	""	""	""	""	""	""	"(2S,3S,4R,5R)-2-[(2-fluorophenyl)sulfanylmethyl]-5-[6-[[(1R,2R)-2-hydroxycyclopentyl]amino]purin-9-yl]oxolane-3,4-diol"	""	"CVT-3619|GS-9667"	"O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N[C@@H]1CCC[C@H]1O)CSc1ccccc1F"	"IZRXENCTXNMAMI-DIJFLQFKSA-N"	"InChI=1S/C21H24FN5O4S/c22-11-4-1-2-7-15(11)32-8-14-17(29)18(30)21(31-14)27-10-25-16-19(23-9-24-20(16)27)26-12-5-3-6-13(12)28/h1-2,4,7,9-10,12-14,17-18,21,28-30H,3,5-6,8H2,(H,23,24,26)/t12-,13-,14-,17-,18-,21-/m1/s1"	""	""	""
"10326"	"GSA-10"	""	"Synthetic organic"	""	""	""	""	"381745007"	"54683103"	""	""	"CHEMBL3947608"	""	""	""	""	"propyl 4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate"	""	"GSA10"	"CCCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c(c2c1cccc2)O"	"MDLUYYGRCGDKGL-UHFFFAOYSA-N"	"InChI=1S/C26H30N2O5/c1-3-5-6-9-16-28-21-11-8-7-10-20(21)23(29)22(25(28)31)24(30)27-19-14-12-18(13-15-19)26(32)33-17-4-2/h7-8,10-15,29H,3-6,9,16-17H2,1-2H3,(H,27,30)"	""	""	""
"10611"	"GSK030"	""	"Synthetic organic"	""	""	""	""	"404859058"	"121437257"	""	""	""	""	""	""	""	"2-[[5-(3,5-dichloropyridin-4-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)propan-1-one"	""	"GSK3212030A"	"CC(C(=O)c1c[nH]c2c1cccc2)Sc1n[nH]c(n1)c1c(Cl)cncc1Cl"	"BAABPIIOLPSIKR-UHFFFAOYSA-N"	"InChI=1S/C18H13Cl2N5OS/c1-9(16(26)11-6-22-14-5-3-2-4-10(11)14)27-18-23-17(24-25-18)15-12(19)7-21-8-13(15)20/h2-9,22H,1H3,(H,23,24,25)"	""	"yes"	""
"10358"	"GSK065"	""	"Synthetic organic"	""	""	""	""	"384403639"	"121415134"	""	""	""	""	""	""	""	""	""	"GSK3335065|inhibitor C1 [PMID: 28604669]"	"OC(=O)CCc1noc2c1cc(Cl)c(c2)O[C@@H](c1ccccn1)C"	"WPAHVUADNLXSOM-SNVBAGLBSA-N"	"InChI=1S/C17H15ClN2O4/c1-10(13-4-2-3-7-19-13)23-16-9-15-11(8-12(16)18)14(20-24-15)5-6-17(21)22/h2-4,7-10H,5-6H2,1H3,(H,21,22)/t10-/m1/s1"	"yes"	""	""
"3441"	"GSK0660"	""	"Synthetic organic"	""	""	""	""	"178100441"	"46233311"	""	""	"CHEMBL592652"	""	""	""	""	"methyl 3-[(4-anilino-2-methoxy-phenyl)sulfamoyl]thiophene-2-carboxylate"	""	"GSK 0660|GSK-0660"	"COC(=O)c1sccc1S(=O)(=O)Nc1ccc(cc1OC)Nc1ccccc1"	"NDFKBGWLUHKMFY-UHFFFAOYSA-N"	"InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3"	""	""	""
"4205"	"GSK1016790A"	""	"Synthetic organic"	""	""	""	""	"178101022"	"23630211"	""	""	""	""	""	""	""	"N-[(2S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxypropanoyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide"	""	""	"OC[C@@H](C(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc2c(s1)cccc2)CC(C)C)NS(=O)(=O)c1ccc(cc1Cl)Cl"	"IVYQPSHHYIAUFO-VXKWHMMOSA-N"	"InChI=1S/C28H32Cl2N4O6S2/c1-17(2)13-21(31-26(36)24-14-18-5-3-4-6-23(18)41-24)27(37)33-9-11-34(12-10-33)28(38)22(16-35)32-42(39,40)25-8-7-19(29)15-20(25)30/h3-8,14-15,17,21-22,32,35H,9-13,16H2,1-2H3,(H,31,36)/t21-,22-/m0/s1"	""	""	""
"9826"	"GSK1059615"	""	"Synthetic organic"	""	""	""	""	"354702297"	"23582824"	""	""	"CHEMBL3544966"	""	""	""	""	"(5Z)-5-[(4-pyridin-4-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione"	""	""	"O=C1NC(=O)/C(=C/c2ccc3c(c2)c(ccn3)c2ccncc2)/S1"	"QDITZBLZQQZVEE-YBEGLDIGSA-N"	"InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)/b16-10-"	""	""	""
"12506"	"GSK-1059865"	""	"Synthetic organic"	""	""	""	""	"479821296"	"44463491"	""	""	"CHEMBL2413522"	""	""	""	""	"[(2S,5S)-2-[[(5-bromopyridin-2-yl)amino]methyl]-5-methylpiperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone"	""	"GSK1059865"	"C[C@H]1CC[C@H](N(C1)C(=O)C2=C(C(=CC=C2)F)OC)CNC3=NC=C(C=C3)Br"	"TWCRHJLMMAYSTE-ZFWWWQNUSA-N"	"InChI=1S/C20H23BrFN3O2/c1-13-6-8-15(11-24-18-9-7-14(21)10-23-18)25(12-13)20(26)16-4-3-5-17(22)19(16)27-2/h3-5,7,9-10,13,15H,6,8,11-12H2,1-2H3,(H,23,24)/t13-,15-/m0/s1"	""	""	""
"8358"	"GSK1070916"	""	"Synthetic organic"	""	""	""	""	"252166570"	"46885626"	""	""	"CHEMBL1090479"	""	""	""	""	"3-[4-[4-[2-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethylpyrazol-3-yl]phenyl]-1,1-dimethylurea"	""	"compound 17k [PMID 20420387]|GSK-1070916"	"CCn1nc(c(c1)c1ccnc2c1cc([nH]2)c1cccc(c1)CN(C)C)c1ccc(cc1)NC(=O)N(C)C"	"QTBWCSQGBMPECM-UHFFFAOYSA-N"	"InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)"	""	""	""
"7012"	"GSK126"	""	"Synthetic organic"	""	""	""	""	"178103591"	"68210102"	""	""	"CHEMBL3287735"	""	""	""	""	"1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-ylpyridin-3-yl)indole-4-carboxamide"	""	"GSK 126|GSK-126|GSK2816126"	"CC[C@@H](n1cc(c2c1cc(cc2C(=O)NCc1c(C)cc([nH]c1=O)C)c1ccc(nc1)N1CCNCC1)C)C"	"FKSFKBQGSFSOSM-QFIPXVFZSA-N"	"InChI=1S/C31H38N6O2/c1-6-22(5)37-18-20(3)29-25(30(38)34-17-26-19(2)13-21(4)35-31(26)39)14-24(15-27(29)37)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18,22,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39)/t22-/m0/s1"	""	""	""
"6252"	"GSK1331258"	""	"Synthetic organic"	""	""	""	""	"178102872"	"46190877"	""	""	"CHEMBL605836"	""	""	""	""	"2-({4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methyl)-1-methyl-1H-1,3-benzodiazole"	""	"GSK 1331258|GSK-1331258"	"Clc1cc(cnc1N1CCN(CC1)Cc1nc2c(n1C)cccc2)C(F)(F)F"	"BQOUGDGGUWVLTD-UHFFFAOYSA-N"	"InChI=1S/C19H19ClF3N5/c1-26-16-5-3-2-4-15(16)25-17(26)12-27-6-8-28(9-7-27)18-14(20)10-13(11-24-18)19(21,22)23/h2-5,10-11H,6-9,12H2,1H3"	""	""	""
"6253"	"GSK1331268"	""	"Synthetic organic"	""	""	""	""	"178102873"	"46190878"	""	""	"CHEMBL595759"	""	""	""	""	"2-{[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl}-1-methyl-1H-1,3-benzodiazole"	""	"GSK 1331268|GSK-1331268"	"Clc1cnc(nc1)N1CCN(CC1)Cc1nc2c(n1C)cccc2"	"IXXZGBOSQDVMTC-UHFFFAOYSA-N"	"InChI=1S/C17H19ClN6/c1-22-15-5-3-2-4-14(15)21-16(22)12-23-6-8-24(9-7-23)17-19-10-13(18)11-20-17/h2-5,10-11H,6-9,12H2,1H3"	""	""	""
"10503"	"GSK1370319A"	""	"Synthetic organic"	""	""	""	""	"387065585"	"67461788"	""	""	"CHEMBL2218759"	""	""	""	""	"(2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide"	""	"compound 1a [PMID: 31525963]"	"O=C([C@@H]1CCC(=O)N1C)NCc1ccc(cc1Cl)Cl"	"YMNOJCVLDDTECB-NSHDSACASA-N"	"InChI=1S/C13H14Cl2N2O2/c1-17-11(4-5-12(17)18)13(19)16-7-8-2-3-9(14)6-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)/t11-/m0/s1"	""	""	""
"9388"	"GSK143"	""	"Synthetic organic"	""	""	""	""	"328083490"	"124037380"	""	""	""	""	""	""	""	"2-{[(3S,4S)-3-aminooxan-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide"	""	"compound 20 [PMID: 21903390]"	"N[C@@H]1COCC[C@@H]1Nc1ncc(c(n1)Nc1ccc(cc1)C)C(=O)N"	"KBPYMFSSFLOJPH-KGLIPLIRSA-N"	"InChI=1S/C17H22N6O2/c1-10-2-4-11(5-3-10)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-25-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m1/s1"	"yes"	""	""
"10504"	"GSK1482160"	""	"Synthetic organic"	""	""	""	""	"387065586"	"23649427"	""	""	"CHEMBL1222883"	""	""	""	""	""	""	"compound 1b [PMID: 31525963]|compound 31 [PMID: 20673717]|GSK-1482160"	"CN1C(=O)CC[C@H]1C(=O)NCc1cccc(c1Cl)C(F)(F)F"	"BJEMSIVBBUBXMZ-JTQLQIEISA-N"	"InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1"	"yes"	""	""
"8644"	"GSK1511931"	""	"Synthetic organic"	""	""	""	""	"252166844"	"44581765"	""	""	"CHEMBL458438"	""	""	""	""	"2-N-[2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-N-quinolin-5-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine"	""	"compound 14 [PMID: 19081716]|GSK-1511931|GSK1511931A"	"COc1cc(ccc1Nc1nc(Nc2cccc3c2cccn3)c2c(n1)[nH]cc2)N1CCN(CC1)C(C)C"	"PEPOAPKYASCEKL-UHFFFAOYSA-N"	"InChI=1S/C29H32N8O/c1-19(2)36-14-16-37(17-15-36)20-9-10-25(26(18-20)38-3)33-29-34-27-22(11-13-31-27)28(35-29)32-24-8-4-7-23-21(24)6-5-12-30-23/h4-13,18-19H,14-17H2,1-3H3,(H3,31,32,33,34,35)"	""	""	""
"9287"	"GSK1521498"	""	"Synthetic organic"	""	""	""	""	"318164806"	"24737629"	""	""	""	""	""	""	""	""	""	"GSK-1521498"	"Fc1cc(cc(c1CNC1Cc2c(C1)cccc2)F)c1cccc(c1)c1ncn[nH]1"	"WIEDUMBCZQRGSY-UHFFFAOYSA-N"	"InChI=1S/C24H20F2N4/c25-22-11-19(15-6-3-7-18(8-15)24-28-14-29-30-24)12-23(26)21(22)13-27-20-9-16-4-1-2-5-17(16)10-20/h1-8,11-12,14,20,27H,9-10,13H2,(H,28,29,30)"	""	""	""
"5870"	"GSK1614343"	""	"Synthetic organic"	""	""	""	""	"178102494"	"25124566"	""	""	""	""	""	""	""	"(2R)-2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N'-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-ylacetohydrazide"	""	"GSK 1614343|GSK-1614343"	"O=C([C@@H](c1cccnc1)N1CCN2[C@@H](C1)CCC2)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F"	"QNOSCJDGJKVFJR-RTBURBONSA-N"	"InChI=1S/C22H23F6N5O/c23-21(24,25)15-9-16(22(26,27)28)11-17(10-15)30-31-20(34)19(14-3-1-5-29-12-14)33-8-7-32-6-2-4-18(32)13-33/h1,3,5,9-12,18-19,30H,2,4,6-8,13H2,(H,31,34)/t18-,19-/m1/s1"	""	""	""
"10278"	"GSK1702934A"	""	"Synthetic organic"	""	""	""	""	"381744959"	"16376051"	""	""	""	""	""	""	""	"3-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one"	""	""	"O=C(c1cc2c(s1)CCCCC2)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2"	"AXWRAIIIBRLXBP-UHFFFAOYSA-N"	"InChI=1S/C22H25N3O2S/c26-21(20-14-15-6-2-1-3-9-19(15)28-20)24-12-10-16(11-13-24)25-18-8-5-4-7-17(18)23-22(25)27/h4-5,7-8,14,16H,1-3,6,9-13H2,(H,23,27)"	""	""	""
"5773"	"GSK 172981"	""	"Synthetic organic"	""	""	""	""	"178102398"	"25195091"	""	""	"CHEMBL480628"	""	""	""	""	"3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-fluorophenyl)quinoline-4-carboxamide"	""	"GSK-172981|GSK172981"	"Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1"	"ZKGNLARKIMWKFE-XMMPIXPASA-N"	"InChI=1S/C26H22FN3O/c27-19-10-6-9-18(15-19)25-23(28)22(20-11-4-5-12-21(20)29-25)26(31)30-24(17-13-14-17)16-7-2-1-3-8-16/h1-12,15,17,24H,13-14,28H2,(H,30,31)/t24-/m1/s1"	""	""	""
"11150"	"GSK1795091"	""	"Synthetic organic"	""	""	""	""	"434122210"	"25127152"	""	""	"CHEMBL507938"	""	""	""	""	""	""	"compound 4 [PMID: 18835160]|CRX-601|CRX601|GSK'091|GSK-1795091"	"CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@@H](C(=O)O)NC(=O)C[C@H](OCCCCCCCCCC)CCCCCCCCCCC)O[C@@H]([C@H]([C@@H]1OC(=O)C[C@H](OCCCCCCCCCC)CCCCCCCCCCC)OP(=O)(O)O)CO)OCCCCCCCCCC"	"ICLAYQQKWJGHBV-XJZMHMBSSA-N"	"InChI=1S/C81H157N2O16P/c1-7-13-19-25-31-37-40-46-52-58-69(93-61-55-49-43-34-28-22-16-10-4)64-74(85)82-72(80(88)89)68-96-81-77(83-75(86)65-70(59-53-47-41-38-32-26-20-14-8-2)94-62-56-50-44-35-29-23-17-11-5)79(78(73(67-84)97-81)99-100(90,91)92)98-76(87)66-71(60-54-48-42-39-33-27-21-15-9-3)95-63-57-51-45-36-30-24-18-12-6/h69-73,77-79,81,84H,7-68H2,1-6H3,(H,82,85)(H,83,86)(H,88,89)(H2,90,91,92)/t69-,70-,71-,72+,73-,77-,78-,79-,81-/m1/s1"	""	""	""
"9007"	"GSK180"	""	"Synthetic organic"	""	""	""	""	"310264785"	"105539874"	""	""	""	""	""	""	""	"3-(5,6-dichloro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid"	""	"inhibitor A1 [PMID: 28604669]"	"OC(=O)CCn1c(=O)oc2c1cc(Cl)c(c2)Cl"	"MIGAKMWKMLYGJX-UHFFFAOYSA-N"	"InChI=1S/C10H7Cl2NO4/c11-5-3-7-8(4-6(5)12)17-10(16)13(7)2-1-9(14)15/h3-4H,1-2H2,(H,14,15)"	""	""	""
"14282"	"GSK180736A"	""	"Synthetic organic"	""	""	""	""	"521588922"	"11233873"	""	""	"CHEMBL384073"	""	""	""	""	"4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide"	""	"compound 3 [PMID: 17201405]|GSK-180736A"	"CC=1NC(NC(C1C(NC2=CC=C3NN=CC3=C2)=O)C4=CC=C(F)C=C4)=O"	"HEAIGWIZTYAQTC-UHFFFAOYSA-N"	"InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)"	""	""	""
"5683"	"GSK-1838705A"	""	"Synthetic organic"	""	""	""	""	"178102310"	"25182616"	""	""	"CHEMBL464552"	""	""	""	""	"2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluoro-N-methylbenzamide"	""	"GSK 1838705A|GSK1838705|GSK1838705A"	"CNC(=O)c1c(cccc1F)Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2c1cc[nH]2"	"HZTYDQRUAWIZRE-UHFFFAOYSA-N"	"InChI=1S/C27H29FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34)"	""	""	""
"10736"	"GSK-189254"	""	"Synthetic organic"	""	""	""	""	"405067329"	"9798547"	""	""	"CHEMBL517140"	""	""	""	""	"6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)oxy]-N-methylpyridine-3-carboxamide"	""	"GSK-189,254|GSK189254"	"CNC(=O)c1ccc(nc1)Oc1ccc2c(c1)CCN(CC2)C1CCC1"	"WROHEWWOCPRMIA-UHFFFAOYSA-N"	"InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)"	""	""	""
"11311"	"GSK2018682"	""	"Synthetic organic"	""	""	""	""	"434321746"	"24988201"	""	""	"CHEMBL4297542"	""	""	""	""	"4-[4-[5-(5-chloro-6-propan-2-yloxypyridin-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoic acid"	""	"GSK-2018682"	"OC(=O)CCCn1ccc2c1cccc2c1noc(n1)c1cnc(c(c1)Cl)OC(C)C"	"NFIGDBFIDKDNIG-UHFFFAOYSA-N"	"InChI=1S/C22H21ClN4O4/c1-13(2)30-22-17(23)11-14(12-24-22)21-25-20(26-31-21)16-5-3-6-18-15(16)8-10-27(18)9-4-7-19(28)29/h3,5-6,8,10-13H,4,7,9H2,1-2H3,(H,28,29)"	""	""	""
"8690"	"GSK2033"	""	"Synthetic organic"	""	""	""	""	"252166890"	"46203250"	""	""	"CHEMBL1093266"	""	""	""	""	"2,4,6-trimethyl-N-[[4-(3-methylsulfonylphenyl)phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide"	""	"GSK 2033|GSK-2033"	"Cc1cc(C)c(c(c1)C)S(=O)(=O)N(Cc1ccc(o1)C(F)(F)F)Cc1ccc(cc1)c1cccc(c1)S(=O)(=O)C"	"PSOXOVKYGWBTPB-UHFFFAOYSA-N"	"InChI=1S/C29H28F3NO5S2/c1-19-14-20(2)28(21(3)15-19)40(36,37)33(18-25-12-13-27(38-25)29(30,31)32)17-22-8-10-23(11-9-22)24-6-5-7-26(16-24)39(4,34)35/h5-16H,17-18H2,1-4H3"	""	""	""
"6465"	"GSK2193874"	""	"Synthetic organic"	""	""	""	""	"178103079"	"53464483"	""	""	""	""	""	""	""	"7-bromo-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl) methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide"	""	"GSK 2193874|GSK-2193874"	"Brc1ccc2c(c1)nc(c(c2C(=O)NC1(CC1)c1ccccc1)CN1CCC(CC1)N1CCCCC1)c1cccc(c1)C(F)(F)F"	"UIVOZBSCHXCGPS-UHFFFAOYSA-N"	"InChI=1S/C37H38BrF3N4O/c38-28-12-13-30-32(23-28)42-34(25-8-7-11-27(22-25)37(39,40)41)31(24-44-20-14-29(15-21-44)45-18-5-2-6-19-45)33(30)35(46)43-36(16-17-36)26-9-3-1-4-10-26/h1,3-4,7-13,22-23,29H,2,5-6,14-21,24H2,(H,43,46)"	""	""	""
"8605"	"GSK2194069"	""	"Synthetic organic"	""	""	""	""	"252166806"	"67376285"	""	""	""	""	""	""	""	"4-[4-(1-benzofuran-5-yl)phenyl]-3-[[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one"	""	"GSK 2194069|GSK-2194069"	"O=C(N1CC[C@H](C1)Cc1n[nH]c(=O)n1c1ccc(cc1)c1ccc2c(c1)cco2)C1CC1"	"AQTPWCUIYUOEMG-INIZCTEOSA-N"	"InChI=1S/C25H24N4O3/c30-24(18-1-2-18)28-11-9-16(15-28)13-23-26-27-25(31)29(23)21-6-3-17(4-7-21)19-5-8-22-20(14-19)10-12-32-22/h3-8,10,12,14,16,18H,1-2,9,11,13,15H2,(H,27,31)/t16-/m0/s1"	""	""	""
"6435"	"GSK2210875"	""	"Synthetic organic"	""	""	""	""	"178103051"	"1489963"	""	""	"CHEMBL1630057"	""	""	""	""	"[(1R)-1-(6-methyl-[1,3]thiazolo[2,3-e][1,2,4]triazol-5-yl)ethyl] N-phenylcarbamate"	""	"GSK-2210875"	"O=C(O[C@@H](c1sc2n(c1C)ncn2)C)Nc1ccccc1"	"AOUUMBPBMVOBSP-SNVBAGLBSA-N"	"InChI=1S/C14H14N4O2S/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)/t10-/m1/s1"	""	""	""
"10416"	"GSK2239633A"	""	"Synthetic organic"	""	""	""	""	"385612176"	"46861584"	""	""	"CHEMBL2018969"	""	""	""	""	"N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide"	""	"compound 6 [PMID: 23409871]|GSK-2239633A"	"COc1cccc2c1c(nn2Cc1cccc(c1)CNC(=O)C(O)(C)C)NS(=O)(=O)c1ccc(s1)Cl"	"YTEVTHHGQMUPHC-UHFFFAOYSA-N"	"InChI=1S/C24H25ClN4O5S2/c1-24(2,31)23(30)26-13-15-6-4-7-16(12-15)14-29-17-8-5-9-18(34-3)21(17)22(27-29)28-36(32,33)20-11-10-19(25)35-20/h4-12,31H,13-14H2,1-3H3,(H,26,30)(H,27,28)"	"yes"	""	""
"9254"	"GSK2245035"	""	"Synthetic organic"	""	""	""	""	"315661329"	"44623937"	""	""	""	""	""	""	""	"6-amino-2-[(2S)-pentan-2-yloxy]-9-[5-(piperidin-1-yl)pentyl]-8,9-dihydro-7H-purin-8-one"	""	"compound 32 [PMID: 26861551]"	"CCC[C@@H](Oc1nc(N)c2c(n1)n(CCCCCN1CCCCC1)c(=O)[nH]2)C"	"LFMPVTVPXHNXOT-HNNXBMFYSA-N"	"InChI=1S/C20H34N6O2/c1-3-10-15(2)28-19-23-17(21)16-18(24-19)26(20(27)22-16)14-9-5-8-13-25-11-6-4-7-12-25/h15H,3-14H2,1-2H3,(H,22,27)(H2,21,23,24)/t15-/m0/s1"	"yes"	""	""
"7939"	"GSK2256098"	""	"Synthetic organic"	""	""	""	""	"249565622"	"46214930"	""	""	""	""	""	""	""	"2-[(5-chloro-2-{[3-methyl-1-(propan-2-yl)-1H-pyrazol-5-yl]amino}pyridin-4-yl)amino]-N-methoxybenzamide"	""	"GSK-2256098"	"CONC(=O)c1ccccc1Nc1cc(ncc1Cl)Nc1cc(nn1C(C)C)C"	"BVAHPPKGOOJSPU-UHFFFAOYSA-N"	"InChI=1S/C20H23ClN6O2/c1-12(2)27-19(9-13(3)25-27)24-18-10-17(15(21)11-22-18)23-16-8-6-5-7-14(16)20(28)26-29-4/h5-12H,1-4H3,(H,26,28)(H2,22,23,24)"	""	""	""
"9718"	"GSK2256294"	""	"Synthetic organic"	""	""	""	""	"348353677"	"59448236"	""	""	"CHEMBL3818875"	""	""	""	""	"(1R,3S)-N-(4-cyano-2-(trifluoromethyl)benzyl)-3-((4-methyl-6-(methylamino)-1,3,5-triazin-2-yl)amino)cyclohexane-1-carboxamide"	""	"GSK-2256294|GSK-2256294A|GSK2256294A"	"CNc1nc(N[C@H]2CCC[C@H](C2)C(=O)NCc2ccc(cc2C(F)(F)F)C#N)nc(n1)C"	"LQHDJQIMETZMPH-ZBFHGGJFSA-N"	"InChI=1S/C21H24F3N7O/c1-12-28-19(26-2)31-20(29-12)30-16-5-3-4-14(9-16)18(32)27-11-15-7-6-13(10-25)8-17(15)21(22,23)24/h6-8,14,16H,3-5,9,11H2,1-2H3,(H,27,32)(H2,26,28,29,30,31)/t14-,16+/m1/s1"	"yes"	""	""
"10633"	"GSK2292767"	""	"Synthetic organic"	""	""	""	""	"404859080"	"49783923"	""	""	""	""	""	""	""	"N-[5-[4-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxypyridin-3-yl]methanesulfonamide"	""	"compound 2 [PMID: 30532965]|compound 3 [PMID: 26301626]|GSK-2292767"	"COc1ncc(cc1NS(=O)(=O)C)c1cc(c2ncc(o2)CN2C[C@H](C)O[C@@H](C2)C)c2c(c1)[nH]nc2"	"NLUPPCTVKHDVIQ-GASCZTMLSA-N"	"InChI=1S/C24H28N6O5S/c1-14-11-30(12-15(2)34-14)13-18-9-26-23(35-18)19-5-16(6-21-20(19)10-27-28-21)17-7-22(29-36(4,31)32)24(33-3)25-8-17/h5-10,14-15,29H,11-13H2,1-4H3,(H,27,28)/t14-,15+"	"yes"	""	""
"12529"	"GSK2332255B"	""	"Synthetic organic"	""	""	""	""	"479821319"	"71818573"	""	""	"CHEMBL2418809"	""	""	""	""	"[5-chloro-2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-1,3-thiazol-4-yl]-(2,3-dimethylpiperidin-1-yl)methanone"	""	"example 17 [PMID: 23886683]|GSK255B"	"CC1CCCN(C1C)C(=O)C2=C(SC(=N2)NC3=CC4=C(C=C3F)OCO4)Cl"	"GGKQWFQQUMWVOB-UHFFFAOYSA-N"	"InChI=1S/C18H19ClFN3O3S/c1-9-4-3-5-23(10(9)2)17(24)15-16(19)27-18(22-15)21-12-7-14-13(6-11(12)20)25-8-26-14/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22)"	""	""	""
"8008"	"GSK2334470"	""	"Synthetic organic"	""	""	""	""	"249565688"	"46215815"	""	""	"CHEMBL1765740"	""	""	""	""	"(3S,6R)-1-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]-N-cyclohexyl-6-methylpiperidine-3-carboxamide"	""	"GSK 2334470|GSK-2334470"	"CNc1nc(cc(n1)c1ccc2c(c1)[nH]nc2N)N1C[C@H](CC[C@H]1C)C(=O)NC1CCCCC1"	"QLPHOXTXAKOFMU-WBVHZDCISA-N"	"InChI=1S/C25H34N8O/c1-15-8-9-17(24(34)28-18-6-4-3-5-7-18)14-33(15)22-13-20(29-25(27-2)30-22)16-10-11-19-21(12-16)31-32-23(19)26/h10-13,15,17-18H,3-9,14H2,1-2H3,(H,28,34)(H3,26,31,32)(H,27,29,30)/t15-,17+/m1/s1"	""	""	""
"13078"	"GSK2556286"	""	"Synthetic organic"	""	""	""	""	"491299860"	"45833762"	""	""	"CHEMBL4650308"	""	""	""	""	"6-[[4-(2,3-dimethylphenoxy)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione"	""	"GSK286"	"CC1=C(C(=CC=C1)OC2CCN(CC2)CC3=CC(=O)NC(=O)N3)C"	"AZOFJHATIPDIER-UHFFFAOYSA-N"	"InChI=1S/C18H23N3O3/c1-12-4-3-5-16(13(12)2)24-15-6-8-21(9-7-15)11-14-10-17(22)20-18(23)19-14/h3-5,10,15H,6-9,11H2,1-2H3,(H2,19,20,22,23)"	""	""	"yes"
"8470"	"GSK256073"	""	"Synthetic organic"	""	""	""	""	"252166680"	"46215799"	""	""	""	""	""	""	""	"8-chloro-3-pentyl-7H-purine-2,6-dione"	""	"GSK 256073|GSK-256073"	"CCCCCn1c(=O)[nH]c(=O)c2c1nc([nH]2)Cl"	"CGAMDQCXAAOFSR-UHFFFAOYSA-N"	"InChI=1S/C10H13ClN4O2/c1-2-3-4-5-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h2-5H2,1H3,(H,12,13)(H,14,16,17)"	""	""	""
"5774"	"GSK 256471"	""	"Synthetic organic"	""	""	""	""	"178102399"	"44570980"	""	""	"CHEMBL480249"	""	""	""	""	"N-[(S)-cyclopropyl(phenyl)methyl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-phenylquinoline-4-carboxamide"	""	"GSK-256471"	"O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1"	"YTXUTYGRBYCUIL-HHHXNRCGSA-N"	"InChI=1S/C29H29N3O3S/c1-32(36(2,34)35)19-24-26(29(33)31-27(22-17-18-22)20-11-5-3-6-12-20)23-15-9-10-16-25(23)30-28(24)21-13-7-4-8-14-21/h3-16,22,27H,17-19H2,1-2H3,(H,31,33)/t27-/m1/s1"	""	""	""
"10496"	"GSK2603566A"	""	"Synthetic organic"	""	""	""	""	"387065578"	"139593557"	""	""	""	""	""	""	""	"3-(3-Cyclopropylphenyl)-3-((5-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)pyridin-2-yl)amino)propanoic acid"	""	"compound 39 [PMID: 31497959]"	"OC(=O)CC(c1cccc(c1)C1CC1)Nc1ccc(cn1)OCCc1ccc2c(n1)NCCC2"	"APVMUACUMAKXLA-UHFFFAOYSA-N"	"InChI=1S/C27H30N4O3/c32-26(33)16-24(21-4-1-3-20(15-21)18-6-7-18)31-25-11-10-23(17-29-25)34-14-12-22-9-8-19-5-2-13-28-27(19)30-22/h1,3-4,8-11,15,17-18,24H,2,5-7,12-14,16H2,(H,28,30)(H,29,31)(H,32,33)"	""	""	""
"6740"	"GSK2606414"	""	"Synthetic organic"	""	""	""	""	"178103351"	"66561167"	""	""	"CHEMBL2171125"	""	""	""	""	"1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2, 3-dihydroindol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone"	""	"3-fluoro-GSK2606414|compound 38 [PMID: 22827572]|GSK PERK Inhibitor"	"Fc1cc(CC(=O)N2CCc3c2ccc(c3)c2cn(c3c2c(N)ncn3)C)cc(c1)C(F)(F)F"	"PXVQGBJMIQCDEX-UHFFFAOYSA-N"	"InChI=1S/C24H19F4N5O/c1-32-11-18(21-22(29)30-12-31-23(21)32)14-2-3-19-15(9-14)4-5-33(19)20(34)8-13-6-16(24(26,27)28)10-17(25)7-13/h2-3,6-7,9-12H,4-5,8H2,1H3,(H2,29,30,31)"	""	""	""
"7967"	"GSK2636771"	""	"Synthetic organic"	""	""	""	""	"249565650"	"56949517"	""	""	"CHEMBL3188551"	""	""	""	""	"2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazole-4-carboxylic acid"	""	"GSK-2636771"	"OC(=O)c1cc(cc2c1nc(n2Cc1cccc(c1C)C(F)(F)F)C)N1CCOCC1"	"XTKLTGBKIDQGQL-UHFFFAOYSA-N"	"InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30)"	""	""	""
"6697"	"GSK-264220A"	""	"Synthetic organic"	""	""	""	""	"178103308"	"2810413"	""	""	"CHEMBL513349"	""	""	""	""	"3-[2-methyl-5-(piperidine-1-sulfonyl)furan-3-yl]-1-phenylurea"	""	""	"O=C(Nc1ccccc1)Nc1cc(oc1C)S(=O)(=O)N1CCCCC1"	"LVOVQRPAMXCXTM-UHFFFAOYSA-N"	"InChI=1S/C17H21N3O4S/c1-13-15(19-17(21)18-14-8-4-2-5-9-14)12-16(24-13)25(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,21)"	""	""	""
"10108"	"GSK2646264"	""	"Synthetic organic"	""	""	""	""	"381118818"	"137321148"	""	""	""	""	""	""	""	"7-{2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl}-2,3,4,5,5a,9a-hexahydro-1H-3-benzazepine"	""	"compound 44 [PMID: 30249354]"	"COc1cccc(c1C1=CC2C(C=C1)CCNCC2)OCc1nccc(c1)C"	"CQLSAYKHANAIMX-UHFFFAOYSA-N"	"InChI=1S/C24H28N2O2/c1-17-8-13-26-21(14-17)16-28-23-5-3-4-22(27-2)24(23)20-7-6-18-9-11-25-12-10-19(18)15-20/h3-8,13-15,18-19,25H,9-12,16H2,1-2H3"	"yes"	""	""
"9544"	"GSK2656157"	""	"Synthetic organic"	""	""	""	""	"336446930"	"53469059"	""	""	"CHEMBL2441340"	""	""	""	""	"1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(6-methylpyridin-2-yl)ethanone"	""	"compound 6 [PMID: 24900593]|GSK-2656157"	"O=C(N1CCc2c1ccc(c2F)c1cn(c2c1c(N)ncn2)C)Cc1cccc(n1)C"	"PRWSIEBRGXYXAJ-UHFFFAOYSA-N"	"InChI=1S/C23H21FN6O/c1-13-4-3-5-14(28-13)10-19(31)30-9-8-16-18(30)7-6-15(21(16)24)17-11-29(2)23-20(17)22(25)26-12-27-23/h3-7,11-12H,8-10H2,1-2H3,(H2,25,26,27)"	""	""	""
"8037"	"GSK269962A"	""	"Synthetic organic"	""	""	""	""	"249565717"	"16095342"	""	""	"CHEMBL220241"	""	""	""	""	"N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[5,4-d]pyridin-6-yl]oxyphenyl]-4-(2-morpholin-4-ylethoxy)benzamide"	""	"aminofurazanyl-azabenzimidazole 6n|GSK-269962A|GSK269962"	"CCn1c(nc2c1cc(nc2)Oc1cccc(c1)NC(=O)c1ccc(cc1)OCCN1CCOCC1)c1nonc1N"	"YOVNFNXUCOWYSG-UHFFFAOYSA-N"	"InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)"	""	""	""
"13960"	"GSK2793660"	""	"Synthetic organic"	""	""	""	""	"513757645"	"86704319"	""	""	""	""	""	""	""	"4-amino-N-[(E,4S)-1-(2,3-dihydroindol-1-yl)-6-methyl-1-oxohept-2-en-4-yl]oxane-4-carboxamide;hydrochloride"	""	"GSK-2793660"	"CC(C)C[C@@H](/C=C/C(=O)N1CCC2=CC=CC=C21)NC(=O)C3(CCOCC3)N.Cl"	"OJLKEWKIRMKTMI-NGVIVVQLSA-N"	"InChI=1S/C22H31N3O3.ClH/c1-16(2)15-18(24-21(27)22(23)10-13-28-14-11-22)7-8-20(26)25-12-9-17-5-3-4-6-19(17)25;/h3-8,16,18H,9-15,23H2,1-2H3,(H,24,27);1H/b8-7+;/t18-;/m1./s1"	""	""	""
"12557"	"GSK2798745"	""	"Synthetic organic"	""	""	""	""	"479821347"	"71227359"	""	""	"CHEMBL4470585"	""	""	""	""	"3-[[(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile"	""	"GSK-2798745"	"C[C@@]1(CCC[C@]2(C1)CN(C(=O)O2)C3=NC=C(N=C3)C(C)(C)O)CN4C=NC5=C4C=C(C=C5)C#N"	"URCMKDJBULWNAI-DQEYMECFSA-N"	"InChI=1S/C25H28N6O3/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3/t24-,25-/m0/s1"	""	""	""
"8233"	"GSK2801"	""	"Synthetic organic"	""	""	""	""	"249565913"	"73010930"	""	""	""	""	""	""	""	"1-(7-(2-methylsulfonyl-phenyl)-4-propoxy-1-aza-bicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-ethanone"	""	"KB-146016"	"CCCOc1ccn2c(c1)c(cc2C(=O)C)c1ccccc1S(=O)(=O)C"	"KHWCPNJRJCNVRI-UHFFFAOYSA-N"	"InChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-21-18(14(2)22)13-17(19(21)12-15)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3"	""	""	""
"11103"	"GSK2830371"	""	"Synthetic organic"	""	""	""	""	"434122164"	"70983932"	""	""	"CHEMBL3613749"	""	""	""	""	"5-[[(5-chloro-2-methylpyridin-3-yl)amino]methyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide"	""	"compound 8 [PMID: 24390428]|GSK-2830371"	"O=C([C@@H](NC(=O)c1ccc(s1)CNc1cc(Cl)cnc1C)CC1CCCC1)NC1CC1"	"IVDUVEGCMXCMSO-FQEVSTJZSA-N"	"InChI=1S/C23H29ClN4O2S/c1-14-19(11-16(24)12-25-14)26-13-18-8-9-21(31-18)23(30)28-20(10-15-4-2-3-5-15)22(29)27-17-6-7-17/h8-9,11-12,15,17,20,26H,2-7,10,13H2,1H3,(H,27,29)(H,28,30)/t20-/m0/s1"	""	""	""
"10284"	"GSK2833503A"	""	"Synthetic organic"	""	""	""	""	"381744965"	"71818575"	""	""	""	""	""	""	""	""	""	"example 19 [PMID: 23886683]"	"C[C@H]1CCCN([C@H]1C)C(=O)c1nc(sc1C)Nc1ccc(cc1F)Cl"	"ODUIXUGXPFKQLG-QWRGUYRKSA-N"	"InChI=1S/C18H21ClFN3OS/c1-10-5-4-8-23(11(10)2)17(24)16-12(3)25-18(22-16)21-15-7-6-13(19)9-14(15)20/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)/t10-,11-/m0/s1"	""	""	""
"12680"	"GSK2838232"	""	"Synthetic organic"	""	""	""	""	"483123228"	"71580991"	""	""	"CHEMBL4303141"	""	""	""	""	"4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-[(1R)-2-[(4-chlorophenyl)methyl-[2-(dimethylamino)ethyl]amino]-1-hydroxyethyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid"	""	"example 51 [WO2013090664A1]|GSK-2838232|GSK-8232|GSK232"	"CC(C)C1=C2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CC1=O)[C@H](CN(CCN(C)C)CC6=CC=C(C=C6)Cl)O)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C"	"MEOWKUXNVNJAMY-PZFKGGKESA-N"	"InChI=1S/C48H73ClN2O6/c1-30(2)40-34(52)26-48(37(53)29-51(25-24-50(10)11)28-31-12-14-32(49)15-13-31)23-22-46(8)33(41(40)48)16-17-36-45(7)20-19-38(57-39(54)27-43(3,4)42(55)56)44(5,6)35(45)18-21-47(36,46)9/h12-15,30,33,35-38,53H,16-29H2,1-11H3,(H,55,56)/t33-,35+,36-,37+,38+,45+,46-,47-,48+/m1/s1"	""	""	""
"9116"	"GSK2879552"	""	"Synthetic organic"	""	""	""	""	"315661201"	"66571643"	""	""	""	""	""	""	""	"4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid"	""	"Example 26 [WO2012135113]|GSK-2879552"	"OC(=O)c1ccc(cc1)CN1CCC(CC1)CN[C@@H]1C[C@H]1c1ccccc1"	"LRULVYSBRWUVGR-FCHUYYIVSA-N"	"InChI=1S/C23H28N2O2/c26-23(27)20-8-6-18(7-9-20)16-25-12-10-17(11-13-25)15-24-22-14-21(22)19-4-2-1-3-5-19/h1-9,17,21-22,24H,10-16H2,(H,26,27)/t21-,22+/m0/s1"	"yes"	""	""
"11151"	"GSK2881078"	""	"Synthetic organic"	""	""	""	""	"434122211"	"86709174"	""	""	""	""	""	""	""	"1-[(2R)-1-methylsulfonylpropan-2-yl]-4-(trifluoromethyl)indole-5-carbonitrile"	""	"GSK'078|GSK-2881078"	"N#Cc1ccc2c(c1C(F)(F)F)ccn2[C@@H](CS(=O)(=O)C)C"	"SKDVMPZQJMZEAC-SECBINFHSA-N"	"InChI=1S/C14H13F3N2O2S/c1-9(8-22(2,20)21)19-6-5-11-12(19)4-3-10(7-18)13(11)14(15,16)17/h3-6,9H,8H2,1-2H3/t9-/m1/s1"	""	""	""
"9661"	"GSK2981278"	""	"Synthetic organic"	""	""	""	""	"348353620"	"89875987"	""	""	""	""	""	""	""	"N-(4-ethylphenyl)-3-(hydroxymethyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide"	""	""	"OCc1cc(ccc1OCC1CCOCC1)S(=O)(=O)N(c1ccc(cc1)CC)CC(C)C"	"LZLBRISQTJVZNP-UHFFFAOYSA-N"	"InChI=1S/C25H35NO5S/c1-4-20-5-7-23(8-6-20)26(16-19(2)3)32(28,29)24-9-10-25(22(15-24)17-27)31-18-21-11-13-30-14-12-21/h5-10,15,19,21,27H,4,11-14,16-18H2,1-3H3"	"yes"	""	""
"9554"	"GSK2982772"	""	"Synthetic organic"	""	""	""	""	"336446940"	"77108121"	""	""	""	""	""	""	""	"5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide"	""	"compound 5 [PMID: 28151659]"	"O=C(c1n[nH]c(n1)Cc1ccccc1)N[C@H]1COc2c(N(C1=O)C)cccc2"	"LYPAFUINURXJSG-AWEZNQCLSA-N"	"InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1"	"yes"	""	""
"12736"	"GSK3008348"	""	"Synthetic organic"	""	""	""	""	"483123284"	"86272865"	""	""	"CHEMBL4241824"	""	""	""	""	"(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]butanoic acid"	""	"GSK-3008348"	"CC=1C=C(C)N(N1)C2=CC=CC([C@H](CC(O)=O)CN3C[C@@H](CC3)CCC=4C=CC5=C(N4)NCCC5)=C2"	"ZMXBIIQMSGOIRZ-RCZVLFRGSA-N"	"InChI=1S/C29H37N5O2/c1-20-15-21(2)34(32-20)27-7-3-5-24(16-27)25(17-28(35)36)19-33-14-12-22(18-33)8-10-26-11-9-23-6-4-13-30-29(23)31-26/h3,5,7,9,11,15-16,22,25H,4,6,8,10,12-14,17-19H2,1-2H3,(H,30,31)(H,35,36)/t22-,25-/m1/s1"	""	""	""
"9623"	"GSK3050002"	""	"Antibody"	""	""	""	""	"340590253"	"0"	""	""	""	""	""	""	""	""	""	"E6071|KANAb071"	""	""	""	"yes"	""	""
"8647"	"GSK312948"	""	"Synthetic organic"	""	""	""	""	"252166847"	"91827385"	""	""	""	""	""	""	""	"1-{3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophen-2-yl}ethen-1-amine"	""	""	"COc1cc2c(cc1OC)ncn2c1cc(c(s1)C(=C)N)O[C@@H](c1ccccc1Cl)C"	"AWMDAFUCNYEZNI-CQSZACIVSA-N"	"InChI=1S/C23H22ClN3O3S/c1-13(25)23-21(30-14(2)15-7-5-6-8-16(15)24)11-22(31-23)27-12-26-17-9-19(28-3)20(29-4)10-18(17)27/h5-12,14H,1,25H2,2-4H3/t14-/m1/s1"	""	""	""
"12245"	"GSK3145095"	""	"Synthetic organic"	""	""	""	""	"473153833"	"118557502"	""	""	"CHEMBL4452233"	""	""	""	""	"5-benzyl-N-[(3S)-7,9-difluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide"	""	"compound 6 [PMID: 31223438]|GSK-3145095"	"C1Cc2c(c(cc(c2)F)F)NC(=O)[C@H]1NC(=O)c1n[nH]c(n1)Cc1ccccc1"	"ATQAGKAMBISZQM-HNNXBMFYSA-N"	"InChI=1S/C20H17F2N5O2/c21-13-9-12-6-7-15(19(28)25-17(12)14(22)10-13)23-20(29)18-24-16(26-27-18)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8H2,(H,23,29)(H,25,28)(H,24,26,27)/t15-/m0/s1"	""	""	""
"11806"	"GSK329"	""	"Synthetic organic"	""	""	""	""	"458923841"	"50997674"	""	""	""	""	""	""	""	"1-[3,5-dichloro-4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea"	""	"compound 47 [PMID: 34699203]|GSK-329"	"CNc1cc(Oc2c(Cl)cc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2Cl)ncn1"	"QOQADIYOLOHRAW-UHFFFAOYSA-N"	"InChI=1S/C19H14Cl2F3N5O2/c1-25-15-8-16(27-9-26-15)31-17-13(20)6-12(7-14(17)21)29-18(30)28-11-4-2-3-10(5-11)19(22,23)24/h2-9H,1H3,(H,25,26,27)(H2,28,29,30)"	""	""	""
"9103"	"GSK334429"	""	"Synthetic organic"	""	""	""	""	"315661188"	"11452311"	""	""	"CHEMBL2151157"	""	""	""	""	"(4-propan-2-yl-1,4-diazepan-1-yl)-[1-[6-(trifluoromethyl)pyridin-3-yl]piperidin-4-yl]methanone"	""	"GSK 334429|GSK-334429"	"CC(N1CCCN(CC1)C(=O)C1CCN(CC1)c1ccc(nc1)C(F)(F)F)C"	"AHHPKVQYHXNBQN-UHFFFAOYSA-N"	"InChI=1S/C20H29F3N4O/c1-15(2)25-8-3-9-27(13-12-25)19(28)16-6-10-26(11-7-16)17-4-5-18(24-14-17)20(21,22)23/h4-5,14-16H,3,6-13H2,1-2H3"	""	""	""
"8240"	"GSK343"	""	"Synthetic organic"	""	""	""	""	"249565920"	"71268957"	""	""	"CHEMBL2204995"	""	""	""	""	"N-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-(propan-2-yl)-1H-indazole-4-carboxamide"	""	"compound 6 [PMID 24900432]|GSK 343"	"CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2c1cnn2C(C)C)c1ccnc(c1)N1CCN(CC1)C"	"ULNXAWLQFZMIHX-UHFFFAOYSA-N"	"InChI=1S/C31H39N7O2/c1-6-7-23-14-21(4)35-31(40)26(23)18-33-30(39)25-15-24(16-28-27(25)19-34-38(28)20(2)3)22-8-9-32-29(17-22)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,39)(H,35,40)"	"yes"	""	""
"12560"	"GSK3527497"	""	"Synthetic organic"	""	""	""	""	"479821350"	"134378796"	""	""	"CHEMBL4550510"	""	""	""	""	"4-[(3S,4S)-4-(aminomethyl)-1-(5-chloropyridin-2-yl)sulfonyl-4-hydroxypyrrolidin-3-yl]oxy-2-fluorobenzonitrile"	""	"compound 13 [PMID: 31532662]|GSK-3527497"	"NC[C@]1(O)CN(C[C@@H]1OC2=CC=C(C#N)C(F)=C2)S(=O)(=O)C3=CC=C(Cl)C=N3"	"IQEGRQYYSXOUJI-RDJZCZTQSA-N"	"InChI=1S/C17H16ClFN4O4S/c18-12-2-4-16(22-7-12)28(25,26)23-8-15(17(24,9-21)10-23)27-13-3-1-11(6-20)14(19)5-13/h1-5,7,15,24H,8-10,21H2/t15-,17-/m0/s1"	""	""	""
"11750"	"GSK3685032"	""	"Synthetic organic"	""	""	""	""	"458923785"	"132233067"	""	""	""	""	""	""	""	""	""	"GSK-3685032"	"CCc1c(C#N)c(nc(SC(C(=O)N)c2ccccc2)c1C#N)N1CCC(N)CC1"	"KNKHRZYILDZLRE-UHFFFAOYSA-N"	"InChI=1S/C22H24N6OS/c1-2-16-17(12-23)21(28-10-8-15(25)9-11-28)27-22(18(16)13-24)30-19(20(26)29)14-6-4-3-5-7-14/h3-7,15,19H,2,8-11,25H2,1H3,(H2,26,29)"	""	""	""
"10411"	"GSK369796"	""	"Synthetic organic"	""	""	""	""	"385612172"	"10316203"	""	""	"CHEMBL147806"	""	""	""	""	"2-[(tert-butylamino)methyl]-5-[(7-chloroquinolin-4-yl)amino]phenol"	""	"N-tert-Butyl isoquine"	"Clc1ccc2c(c1)nccc2Nc1ccc(c(c1)O)CNC(C)(C)C"	"ZVMMVSSEAMUNGI-UHFFFAOYSA-N"	"InChI=1S/C20H22ClN3O/c1-20(2,3)23-12-13-4-6-15(11-19(13)25)24-17-8-9-22-18-10-14(21)5-7-16(17)18/h4-11,23,25H,12H2,1-3H3,(H,22,24)"	""	"yes"	""
"9811"	"GSK-3&beta; inhibitor 3 [PMID: 25845281]"	""	"Synthetic organic"	""	""	""	""	"354702283"	"73333976"	""	""	"CHEMBL3410089"	""	""	""	""	"2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide"	""	"GSK-3&beta; inhibitor 1 [Jiang <i>et al.</i>, 2018]"	"COc1nc(sc1C(=O)N)c1ccnc(c1)NC(=O)C1CC1"	"CYADPSMQNARVII-UHFFFAOYSA-N"	"InChI=1S/C14H14N4O3S/c1-21-13-10(11(15)19)22-14(18-13)8-4-5-16-9(6-8)17-12(20)7-2-3-7/h4-7H,2-3H2,1H3,(H2,15,19)(H,16,17,20)"	""	""	""
"5977"	"GSK-3beta inhibitor I"	""	"Synthetic organic"	""	""	""	""	"178102600"	"4124851"	""	""	"CHEMBL284861"	""	""	""	""	"4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione"	""	"TDZD-8"	"O=c1sn(c(=O)n1Cc1ccccc1)C"	"JDSJDASOXWCHPN-UHFFFAOYSA-N"	"InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3"	""	""	""
"5978"	"GSK-3beta inhibitor II"	""	"Synthetic organic"	""	""	""	""	"178102601"	"6539732"	""	""	"CHEMBL288064"	""	""	""	""	"4-(5-{[(3-iodophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine"	""	"GSK-3b inhibitor II"	"Ic1cccc(c1)CSc1nnc(o1)c1ccncc1"	"ZRHRPGSSSVYBRG-UHFFFAOYSA-N"	"InChI=1S/C14H10IN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2"	""	""	""
"5979"	"GSK-3beta inhibitor VIII"	""	"Synthetic organic"	""	""	""	""	"178102602"	"448014"	""	""	"CHEMBL259850"	""	""	""	""	"1-[(4-methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea"	""	"AR-A014418|GSK-3b inhibitor VIII"	"COc1ccc(cc1)CNC(=O)Nc1ncc(s1)[N+](=O)[O-]"	"YAEMHJKFIIIULI-UHFFFAOYSA-N"	"InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)"	""	""	""
"5981"	"GSK-3beta inhibitor XI"	""	"Synthetic organic"	""	""	""	""	"178102604"	"10020713"	""	""	"CHEMBL272629"	""	""	""	""	"3-[1-(3-hydroxypropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-(pyrazin-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione"	""	"GSK-3b inhibitor XI"	"OCCCn1cc(c2c1nccc2)C1=C(C(=O)NC1=O)c1cnccn1"	"ZDEJZKULWCZIHL-UHFFFAOYSA-N"	"InChI=1S/C18H15N5O3/c24-8-2-7-23-10-12(11-3-1-4-21-16(11)23)14-15(18(26)22-17(14)25)13-9-19-5-6-20-13/h1,3-6,9-10,24H,2,7-8H2,(H,22,25,26)"	""	""	""
"5974"	"GSK-3 inhibitor IX"	""	"Synthetic organic"	""	""	""	""	"178102597"	"448949"	""	""	"CHEMBL2178734"	""	""	""	""	"6-bromo-3-[3-(hydroxyamino)-2H-indol-2-ylidene]-2,3-dihydro-1H-indol-2-one"	""	"6-bromoindirubin-3-oxime|BIO|BRW|indirubin deriv. 7a"	"ONC1=c2ccccc2=N/C/1=C/1\C(=O)Nc2c1ccc(c2)Br"	"WNWSUJQVZJJGLF-SQFISAMPSA-N"	"InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,20,22H,(H,19,21)/b15-13-"	""	""	""
"5975"	"GSK-3 inhibitor X"	""	"Synthetic organic"	""	""	""	""	"178102598"	"136218974"	""	""	"CHEMBL430226"	""	""	""	""	"[2-(6-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene)-2H-indol-3-yl]amino acetate"	""	"indirubin deriv. 8a"	"CC(=O)ONC1=c2ccccc2=N/C/1=C/1\C(=O)Nc2c1ccc(c2)Br"	"ORWSYHWTBSHFIV-ICFOKQHNSA-N"	"InChI=1S/C18H12BrN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,22H,1H3,(H,21,24)/b17-15-"	""	""	""
"5976"	"GSK-3 inhibitor XIII"	""	"Synthetic organic"	""	""	""	""	"178102599"	"6419766"	""	""	"CHEMBL359482"	""	""	""	""	"N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine"	""	"K00244"	"Cc1[nH]nc(c1)Nc1nc(nc2c1cccc2)c1ccccc1"	"JYCUVOXSZBECAY-UHFFFAOYSA-N"	"InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)"	""	""	""
"2903"	"GSK4112"	""	"Synthetic organic"	""	""	""	""	"135650323"	"50905018"	""	""	"CHEMBL1961795"	""	""	""	""	"tert-butyl 2-[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]acetate"	""	"GSK-4112|SR6452"	"O=C(OC(C)(C)C)CN(Cc1ccc(s1)[N+](=O)[O-])Cc1ccc(cc1)Cl"	"WYSLOKHVFKLWOU-UHFFFAOYSA-N"	"InChI=1S/C18H21ClN2O4S/c1-18(2,3)25-17(22)12-20(10-13-4-6-14(19)7-5-13)11-15-8-9-16(26-15)21(23)24/h4-9H,10-12H2,1-3H3"	""	""	""
"10279"	"GSK417651A"	""	"Synthetic organic"	""	""	""	""	"381744960"	"1096735"	""	""	"CHEMBL1506485"	""	""	""	""	"N-(4-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,3-thiazol-2-amine"	""	"compound 3 [PMID: 23886683]"	"COc1ccc(cc1)Nc1scc(n1)C(=O)N1CCc2c(C1)cccc2"	"NTXBDULODNTCKP-UHFFFAOYSA-N"	"InChI=1S/C20H19N3O2S/c1-25-17-8-6-16(7-9-17)21-20-22-18(13-26-20)19(24)23-11-10-14-4-2-3-5-15(14)12-23/h2-9,13H,10-12H2,1H3,(H,21,22)"	""	""	""
"9356"	"GSK429286A"	""	"Synthetic organic"	""	""	""	""	"328083458"	"11373846"	""	""	"CHEMBL375312"	""	""	""	""	"N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide"	""	"compound 15 [PMID: 17201405]"	"O=C1NC(=C(C(C1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc2cn[nH]c2cc1F)C"	"OLIIUAHHAZEXEX-UHFFFAOYSA-N"	"InChI=1S/C21H16F4N4O2/c1-10-19(20(31)28-17-6-12-9-26-29-16(12)8-15(17)22)14(7-18(30)27-10)11-2-4-13(5-3-11)21(23,24)25/h2-6,8-9,14H,7H2,1H3,(H,26,29)(H,27,30)(H,28,31)"	""	""	""
"5684"	"GSK-461364A"	""	"Synthetic organic"	""	""	""	""	"178102311"	"15983966"	""	""	"CHEMBL1908394"	""	""	""	""	"5-{6-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-1-yl}-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide"	""	"GSK 461364|GSK-461364|GSK461364|GSK461364A"	"CN1CCN(CC1)Cc1ccc2c(c1)n(cn2)c1cc(c(s1)C(=O)N)O[C@@H](c1ccccc1C(F)(F)F)C"	"ZHJGWYRLJUCMRT-QGZVFWFLSA-N"	"InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1"	""	""	""
"2835"	"GSK4716"	""	"Synthetic organic"	""	""	""	""	"135650324"	"5331325"	""	""	"CHEMBL193836"	""	""	""	""	"4-hydroxy-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide"	""	"GSK 4716|GSK-4716"	"Oc1ccc(cc1)C(=O)N/N=C/c1ccc(cc1)C(C)C"	"IKPPIUNQWSRCOZ-WOJGMQOQSA-N"	"InChI=1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-12,20H,1-2H3,(H,19,21)/b18-11+"	""	""	""
"8577"	"GSK484"	""	"Synthetic organic"	""	""	""	""	"252166778"	"86340175"	""	""	""	""	""	""	""	"[(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone"	""	"GSK 484|GSK-484"	"COc1cc(cc2c1n(C)c(n2)c1cc2c(n1CC1CC1)cccc2)C(=O)N1CC[C@H]([C@H](C1)N)O"	"BDYDINKSILYBOL-WMZHIEFXSA-N"	"InChI=1S/C27H31N5O3/c1-30-25-20(11-18(13-24(25)35-2)27(34)31-10-9-23(33)19(28)15-31)29-26(30)22-12-17-5-3-4-6-21(17)32(22)14-16-7-8-16/h3-6,11-13,16,19,23,33H,7-10,14-15,28H2,1-2H3/t19-,23+/m0/s1"	""	""	""
"13705"	"GSK484"	""	"Synthetic organic"	""	""	""	""	"507750339"	"168896895"	""	""	""	""	""	""	""	""	""	"GSK-484|MMV-1793192|MMV1793192"	"NC1(CNC(=O)C2=CC=C(C=C2)C3=CN=CC(=N3)C4=CC(F)=CN=C4)CCC1"	"KBWALKPJRNYOBZ-UHFFFAOYSA-N"	"InChI=1S/C21H20FN5O/c22-17-8-16(9-24-10-17)19-12-25-11-18(27-19)14-2-4-15(5-3-14)20(28)26-13-21(23)6-1-7-21/h2-5,8-12H,1,6-7,13,23H2,(H,26,28)"	""	"yes"	""
"5562"	"GSK494581A"	""	"Synthetic organic"	""	""	""	""	"178102200"	"11855860"	""	""	""	""	""	""	""	"[4-[2-fluoro-4-(1-methoxyethyl)phenyl]piperazin-1-yl]-[2-(4-fluorophenyl)-5-methylsulfonylphenyl]methanone"	""	""	"COC(c1ccc(c(c1)F)N1CCN(CC1)C(=O)c1cc(ccc1c1ccc(cc1)F)S(=O)(=O)C)C"	"JQXZHDOSMUZLML-UHFFFAOYSA-N"	"InChI=1S/C27H28F2N2O4S/c1-18(35-2)20-6-11-26(25(29)16-20)30-12-14-31(15-13-30)27(32)24-17-22(36(3,33)34)9-10-23(24)19-4-7-21(28)8-5-19/h4-11,16-18H,12-15H2,1-3H3"	""	""	""
"8908"	"GSK5182"	""	"Synthetic organic"	""	""	""	""	"310264689"	"6852176"	""	""	"CHEMBL201013"	""	""	""	""	"4-[(Z)-1-[4-(2-dimethylaminoethoxy)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol"	""	"GSK 5182|GSK-5182"	"OCCC/C(=C(\c1ccc(cc1)O)/c1ccc(cc1)OCCN(C)C)/c1ccccc1"	"ZVSFNBNLNLXEFQ-RQZHXJHFSA-N"	"InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-"	""	""	""
"11274"	"GSK'547"	""	"Synthetic organic"	""	""	""	""	"434321709"	"134521814"	""	""	""	""	""	""	""	"6-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile"	""	"example 6 [WO2020044206A1]|GSK-547|GSK547"	"N#Cc1ncnc(c1)N1CCC(CC1)C(=O)N1N=CC[C@H]1c1cc(F)cc(c1)F"	"SJVGFKBLUYAEOK-SFHVURJKSA-N"	"InChI=1S/C20H18F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h4,7-10,12-13,18H,1-3,5-6H2/t18-/m0/s1"	"yes"	""	""
"5561"	"GSK575594A"	""	"Synthetic organic"	""	""	""	""	"178102199"	"59822766"	""	""	""	""	""	""	""	"[4-(4-amino-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)-5-methylsulfonylphenyl]methanone"	""	""	"Fc1ccc(cc1)c1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)N)S(=O)(=O)C"	"DAPKZHQMEQRNPY-UHFFFAOYSA-N"	"InChI=1S/C24H23F2N3O3S/c1-33(31,32)19-7-8-20(16-2-4-17(25)5-3-16)21(15-19)24(30)29-12-10-28(11-13-29)23-9-6-18(27)14-22(23)26/h2-9,14-15H,10-13,27H2,1H3"	""	""	""
"8150"	"GSK579289A"	""	"Synthetic organic"	""	""	""	""	"249565830"	"16051023"	""	""	"CHEMBL1794070"	""	""	""	""	"3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide"	""	"compound 25 [PMID 19237286]|GSK-579289A"	"CN1CCC(CC1)Oc1ccc2c(c1)n(cn2)c1cc(c(s1)C(=O)N)O[C@@H](c1ccccc1Cl)C"	"GILNGUYOGYOZMP-MRXNPFEDSA-N"	"InChI=1S/C26H27ClN4O3S/c1-16(19-5-3-4-6-20(19)27)33-23-14-24(35-25(23)26(28)32)31-15-29-21-8-7-18(13-22(21)31)34-17-9-11-30(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,28,32)/t16-/m1/s1"	""	""	""
"9134"	"GSK583"	""	"Synthetic organic"	""	""	""	""	"315661219"	"67469084"	""	""	""	""	""	""	""	"N-(5-fluoro-1H-indazol-3-yl)-6-(2-methylpropane-2-sulfonyl)quinolin-4-amine"	""	"GSK'583"	"Fc1ccc2c(c1)c(n[nH]2)Nc1ccnc2c1cc(cc2)S(=O)(=O)C(C)(C)C"	"XLOGLWKOHPIJLV-UHFFFAOYSA-N"	"InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)"	"yes"	""	""
"8954"	"GSK591"	""	"Synthetic organic"	""	""	""	""	"310264735"	"117072552"	""	""	""	""	""	""	""	"2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]pyridine-4-carboxamide"	""	"EPZ015866|GSK3203591"	"O[C@H](CN1CCc2c(C1)cccc2)CNC(=O)c1ccnc(c1)NC1CCC1"	"TWKYXZSXXXKKJU-FQEVSTJZSA-N"	"InChI=1S/C22H28N4O2/c27-20(15-26-11-9-16-4-1-2-5-18(16)14-26)13-24-22(28)17-8-10-23-21(12-17)25-19-6-3-7-19/h1-2,4-5,8,10,12,19-20,27H,3,6-7,9,11,13-15H2,(H,23,25)(H,24,28)/t20-/m0/s1"	""	""	""
"8040"	"GSK650394"	""	"Synthetic organic"	""	""	""	""	"249565720"	"25022668"	""	""	"CHEMBL558642"	""	""	""	""	"2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid"	""	"GSK-650394"	"OC(=O)c1ccc(cc1C1CCCC1)c1c[nH]c2c1cc(cn2)c1ccccc1"	"WVSBGSNVCDAMCF-UHFFFAOYSA-N"	"InChI=1S/C25H22N2O2/c28-25(29)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-27-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,26,27)(H,28,29)"	""	""	""
"13053"	"GSK682753A"	""	"Synthetic organic"	""	""	""	""	"491299835"	"126843232"	""	""	""	""	""	""	""	"8-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one"	""	"GSK-682753A"	"C1CN(CCC12CN(C(=O)O2)CC3=CC(=C(C=C3)Cl)Cl)C(=O)/C=C/C4=CC=C(C=C4)Cl"	"RDDLWMWIRXGSJM-XBXARRHUSA-N"	"InChI=1S/C23H21Cl3N2O3/c24-18-5-1-16(2-6-18)4-8-21(29)27-11-9-23(10-12-27)15-28(22(30)31-23)14-17-3-7-19(25)20(26)13-17/h1-8,13H,9-12,14-15H2/b8-4+"	""	""	""
"5196"	"GSK690693"	""	"Synthetic organic"	""	""	""	""	"178101884"	"16725726"	""	""	"CHEMBL494089"	""	""	""	""	"4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol"	""	"compound 3g [PMID 18800763]|GSK 690693|GSK-690693"	"CCn1c(nc2c1c(OC[C@H]1CCCNC1)cnc2C#CC(O)(C)C)c1nonc1N"	"KGPGFQWBCSZGEL-ZDUSSCGKSA-N"	"InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1"	""	""	""
"10088"	"GSK-7975A"	""	"Synthetic organic"	""	""	""	""	"381118798"	"59547990"	""	""	""	""	""	""	""	"2,6-difluoro-N-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide"	""	"example 36 [US20120053150A1]|GSK7975A"	"Oc1ccc(c(c1)C(F)(F)F)Cn1ccc(n1)NC(=O)c1c(F)cccc1F"	"CPYTVBALBFSXSH-UHFFFAOYSA-N"	"InChI=1S/C18H12F5N3O2/c19-13-2-1-3-14(20)16(13)17(28)24-15-6-7-26(25-15)9-10-4-5-11(27)8-12(10)18(21,22)23/h1-8,27H,9H2,(H,24,25,28)"	"yes"	""	""
"13955"	"GSK839"	""	"Synthetic organic"	""	""	""	""	"513757640"	"137499806"	""	""	"CHEMBL5203958"	""	""	""	""	"4-[2-[(5-fluoropyridin-2-yl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide"	""	""	"C1=CC(=CC=C1C2=NN(N=N2)CC3=NC=C(C=C3)F)S(=O)(=O)NCCO"	"ZADGDPAVPJLDBU-UHFFFAOYSA-N"	"InChI=1S/C15H15FN6O3S/c16-12-3-4-13(17-9-12)10-22-20-15(19-21-22)11-1-5-14(6-2-11)26(24,25)18-7-8-23/h1-6,9,18,23H,7-8,10H2"	""	""	"yes"
"11690"	"GSK852"	""	"Synthetic organic"	""	""	""	""	"442878716"	"138533986"	""	""	""	""	""	""	""	"(3S)-5-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-7-N,3-dimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide"	""	"compound 71 [PMID: 34260229]|GSK-852"	"CNC(=O)c1cc(cc2c1OC[C@@]2(C)c1ccccc1)C(=O)N[C@@H]1[C@H]2C[C@H](O)C[C@@H]12"	"FNHHVPPSBFQMEL-HURDOVMISA-N"	"InChI=1S/C24H26N2O4/c1-24(14-6-4-3-5-7-14)12-30-21-18(23(29)25-2)8-13(9-19(21)24)22(28)26-20-16-10-15(27)11-17(16)20/h3-9,15-17,20,27H,10-12H2,1-2H3,(H,25,29)(H,26,28)/t15-,16-,17+,20+,24-/m0/s1"	""	""	""
"10343"	"GSK8612"	""	"Synthetic organic"	""	""	""	""	"381745024"	"137553174"	""	""	""	""	""	""	""	"4-{[(5-bromo-2-{[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)amino]methyl}benzene-1-sulfonamide"	""	""	"Brc1cnc(nc1NCc1ccc(cc1)S(=O)(=O)N)Nc1cn(nc1C)CC(F)(F)F"	"FFPHMUIGESPOTK-UHFFFAOYSA-N"	"InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)"	"yes"	""	""
"8961"	"GSK864"	""	"Synthetic organic"	""	""	""	""	"310264742"	"91864701"	""	""	""	""	""	""	""	"(7S)-1-[(4-fluorophenyl)methyl]-3-N-(4-methoxy-3,5-dimethylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,6-dihydropyrazolo[4,3-c]pyridine-3,7-dicarboxamide"	""	"compound 4 [PMID: 26436839]"	"COc1c(C)cc(cc1C)NC(=O)c1nn(c2c1CN(C[C@]2(C)C(=O)N)C(=O)c1[nH]ccc1)Cc1ccc(cc1)F"	"DUCNNEYLFOQFSW-PMERELPUSA-N"	"InChI=1S/C30H31FN6O4/c1-17-12-21(13-18(2)25(17)41-4)34-27(38)24-22-15-36(28(39)23-6-5-11-33-23)16-30(3,29(32)40)26(22)37(35-24)14-19-7-9-20(31)10-8-19/h5-13,33H,14-16H2,1-4H3,(H2,32,40)(H,34,38)/t30-/m0/s1"	""	""	""
"9653"	"GSK866"	""	"Synthetic organic"	""	""	""	""	"340590283"	"25058139"	""	""	""	""	""	""	""	"5-amino-N-[(2S)-2-[[(2,6-dichlorobenzoyl)-ethylamino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide"	""	""	"CCN(C(=O)c1c(Cl)cccc1Cl)C[C@](C(F)(F)F)(CNC(=O)c1cnn(c1N)c1ccc(cc1)F)O"	"LKQMULLPLYLIGW-QFIPXVFZSA-N"	"InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35)/t22-/m0/s1"	"yes"	""	""
"9521"	"GSK8814"	""	"Synthetic organic"	""	""	""	""	"336446907"	"121499171"	""	""	""	""	""	""	""	"8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one"	""	""	"CO[C@H]1CNC[C@H]([C@@H]1Nc1ncc(c2c1[nH]c(=O)c(c2)C)c1cncc(c1)C)OCC1CCC(CC1)(F)F"	"YDPMMWAOCCOULO-JBRSBNLGSA-N"	"InChI=1S/C28H35F2N5O3/c1-16-8-19(11-31-10-16)21-12-33-26(24-20(21)9-17(2)27(36)35-24)34-25-22(37-3)13-32-14-23(25)38-15-18-4-6-28(29,30)7-5-18/h8-12,18,22-23,25,32H,4-7,13-15H2,1-3H3,(H,33,34)(H,35,36)/t22-,23+,25+/m0/s1"	""	""	""
"4598"	"GSK931145"	""	"Synthetic organic"	""	""	""	""	"178101318"	"73755100"	""	""	""	""	""	""	""	"N-[(S)-[1-(dimethylamino)cyclopentyl](phenyl)methyl]-2,6-dimethylbenzamide"	""	""	"O=C(c1c(C)cccc1C)N[C@H](C1(CCCC1)N(C)C)c1ccccc1"	"BMXRRRIDMAIEKX-NRFANRHFSA-N"	"InChI=1S/C23H30N2O/c1-17-11-10-12-18(2)20(17)22(26)24-21(19-13-6-5-7-14-19)23(25(3)4)15-8-9-16-23/h5-7,10-14,21H,8-9,15-16H2,1-4H3,(H,24,26)/t21-/m0/s1"	""	""	""
"14375"	"GSK945237"	""	"Synthetic organic"	""	""	""	""	"523352167"	"119057475"	""	""	"CHEMBL3793226"	""	""	""	""	"(3R)-3-({4-[({6H,7H-[1,4]dioxino[2,3-c]pyridazin-3-yl}methyl)amino]piperidin-1-yl}methyl)-5-fluoro-1-azatricyclo[6.3.1.0<sup>4,12</sup>]dodeca-4,6,8(12),9-tetraen-11-one"	""	"GSK-945237"	"C1CN(CCC1NCC2=CC3=C(N=N2)OCCO3)C[C@@H]4CN5C(=O)C=CC6=C5C4=C(C=C6)F"	"SRICOHRDRMZREQ-MRXNPFEDSA-N"	"InChI=1S/C24H26FN5O3/c25-19-3-1-15-2-4-21(31)30-14-16(22(19)23(15)30)13-29-7-5-17(6-8-29)26-12-18-11-20-24(28-27-18)33-10-9-32-20/h1-4,11,16-17,26H,5-10,12-14H2/t16-/m1/s1"	""	""	"yes"
"10132"	"GSK963"	""	"Synthetic organic"	""	""	""	""	"381118842"	"122703613"	""	""	""	""	""	""	""	"2,2-dimethyl-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one"	""	"GSK'963|GSK′963A"	"O=C(C(C)(C)C)N1N=CC[C@H]1c1ccccc1"	"NJQVSLWJBLPTMD-LBPRGKRZSA-N"	"InChI=1S/C14H18N2O/c1-14(2,3)13(17)16-12(9-10-15-16)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t12-/m0/s1"	"yes"	""	""
"8693"	"GSK9772"	""	"Synthetic organic"	""	""	""	""	"252166893"	"16049480"	""	""	"CHEMBL493241"	""	""	""	""	"4-[[butyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino]methyl]-2,6-dichlorophenol"	""	"GSK 9772|GSK-9772"	"CCCCN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)Cc1cc(Cl)c(c(c1)Cl)O"	"TYYLMKBOWXDDCT-UHFFFAOYSA-N"	"InChI=1S/C20H19Cl2F6NO2/c1-2-3-8-29(11-12-9-15(21)17(30)16(22)10-12)14-6-4-13(5-7-14)18(31,19(23,24)25)20(26,27)28/h4-7,9-10,30-31H,2-3,8,11H2,1H3"	""	""	""
"12558"	"GSK-Bz derivative 2b"	""	"Synthetic organic"	""	""	""	""	"479821348"	"167993654"	""	""	""	""	""	""	""	"N-(5,6-dichloro-1-{1-[4-(1-cyanocyclobutyl)phenyl]piperidin-4-yl}-2-[(propan-2-yl)amino]-1H-1,3-benzodiazol-4-yl)acetamide"	""	"compound 2b [PMID: 36696767]"	"CC(C)NC1=NC2=C(C=C(Cl)C(Cl)=C2NC(C)=O)N1C3CCN(CC3)C4=CC=C(C=C4)C5(CCC5)C#N"	"HKOYZUBWZOWYKY-UHFFFAOYSA-N"	"InChI=1S/C28H32Cl2N6O/c1-17(2)32-27-34-25-23(15-22(29)24(30)26(25)33-18(3)37)36(27)21-9-13-35(14-10-21)20-7-5-19(6-8-20)28(16-31)11-4-12-28/h5-8,15,17,21H,4,9-14H2,1-3H3,(H,32,34)(H,33,37)"	""	""	""
"3502"	"GSK Compound 34"	""	"Synthetic organic"	""	""	""	""	"178100489"	"11560568"	""	""	"CHEMBL1082152"	""	""	""	""	"3-[3-(2,3-dihydroxypropylamino)phenyl]-4-(5-fluoro-1-methylindol-3-yl)pyrrole-2,5-dione"	""	""	"OCC(CNc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(c2c1cc(F)cc2)C)O"	"RPGZQOOZHIEPJW-UHFFFAOYSA-N"	"InChI=1S/C22H20FN3O4/c1-26-10-17(16-8-13(23)5-6-18(16)26)20-19(21(29)25-22(20)30)12-3-2-4-14(7-12)24-9-15(28)11-27/h2-8,10,15,24,27-28H,9,11H2,1H3,(H,25,29,30)"	""	""	""
"7027"	"GSK-J1"	""	"Synthetic organic"	""	""	""	""	"178103606"	"56963315"	""	""	"CHEMBL3188597"	""	""	""	""	"3-{[2-(pyridin-2-yl)-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)pyrimidin-4-yl]amino}propanoic acid"	""	""	"OC(=O)CCNc1nc(nc(c1)N1CCc2ccccc2CC1)c1ccccn1"	"AVZCPICCWKMZDT-UHFFFAOYSA-N"	"InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)"	"yes"	""	""
"8979"	"GSK-J4"	""	"Synthetic organic"	""	""	""	""	"310264759"	"71729975"	""	""	"CHEMBL3183531"	""	""	""	""	"ethyl 3-{[2-(pyridin-2-yl)-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)pyrimidin-4-yl]amino}propanoate"	""	"GSK J4|GSKJ4"	"CCOC(=O)CCNc1cc(nc(n1)c1ccccn1)N1CCc2c(CC1)cccc2"	"WBKCKEHGXNWYMO-UHFFFAOYSA-N"	"InChI=1S/C24H27N5O2/c1-2-31-23(30)10-14-26-21-17-22(28-24(27-21)20-9-5-6-13-25-20)29-15-11-18-7-3-4-8-19(18)12-16-29/h3-9,13,17H,2,10-12,14-16H2,1H3,(H,26,27,28)"	"yes"	""	""
"8241"	"GSK-LSD1"	""	"Synthetic organic"	""	""	""	""	"249565921"	"71522234"	""	""	""	""	""	""	""	"N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine"	""	""	"N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1"	"BASFYRLYJAZPPL-UONOGXRCSA-N"	"InChI=1S/C14H20N2/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12/h1-5,12-16H,6-10H2/t13-,14+/m0/s1"	""	""	""
"4206"	"GsMTx-4"	""	"Peptide"	""	""	""	""	"178101023"	"0"	"Q7YT39"	""	""	""	""	""	""	""	""	"M-theraphotoxin-Gr1a|M-TRTX-Gr1a|MTx4|Toxin GsMTx-4"	""	""	""	""	""	""
"11297"	"GT-0198"	""	"Synthetic organic"	""	""	""	""	"434321732"	"71584823"	""	""	"CHEMBL3325507"	""	""	""	""	"N-(1-methylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide"	""	"GT0198"	"CN1CCC(CC1)NC(=O)c1ccc(cc1)COc1ccc(cc1)C(F)(F)F"	"IVOIYPHGIHJNMU-UHFFFAOYSA-N"	"InChI=1S/C21H23F3N2O2/c1-26-12-10-18(11-13-26)25-20(27)16-4-2-15(3-5-16)14-28-19-8-6-17(7-9-19)21(22,23)24/h2-9,18H,10-14H2,1H3,(H,25,27)"	""	""	""
"14537"	"GT-055"	""	"Synthetic organic"	""	""	""	""	"528429858"	"140863141"	""	""	""	""	""	""	""	"[(2S,5R)-2-[5,5-bis(aminomethyl)-4H-1,2-oxazol-3-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate"	""	"LCB18-055"	"C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C3=NOC(C3)(CN)CN"	"VPIITZQGLBWDAK-APPZFPTMSA-N"	"InChI=1S/C11H19N5O6S/c12-5-11(6-13)3-8(14-21-11)9-2-1-7-4-15(9)10(17)16(7)22-23(18,19)20/h7,9H,1-6,12-13H2,(H,18,19,20)/t7-,9+/m1/s1"	""	""	"yes"
"13251"	"GT-1"	""	"Synthetic organic"	""	""	""	""	"491300033"	"145283404"	""	""	""	""	""	""	""	""	""	"LCB10-0200"	"CC(C)(C(=O)O)O/N=C(/C1=C(SC(=N1)N)Cl)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CN=C(C(=C4)NCCNC(=O)C5=CC(=O)C(=CN5O)O)N)C(=O)[O-]"	"WUCKZQNKKIJUSF-UVXYUCGCSA-N"	"InChI=1S/C29H30ClN11O11S2/c1-29(2,27(49)50)52-38-17(16-20(30)54-28(32)37-16)23(45)36-18-24(46)41-19(26(47)48)11(9-53-25(18)41)6-39-7-12(21(31)35-10-39)33-3-4-34-22(44)13-5-14(42)15(43)8-40(13)51/h5,7-8,10,18,25,31,33,51H,3-4,6,9H2,1-2H3,(H7,32,34,36,37,43,44,45,47,48,49,50)/b38-17-/t18-,25-/m1/s1"	""	""	"yes"
"1261"	"GT2394"	""	"Synthetic organic"	""	""	""	""	"135650325"	"9860053"	""	""	""	""	""	""	""	"cyclohexylmethyl N-[(1R,2R)-2-(3H-imidazol-4-yl)cyclopropyl]carbamate"	""	""	"O=C(N[C@@H]1C[C@H]1c1cnc[nH]1)OCC1CCCCC1"	"SLQAVEDMASVHTL-VXGBXAGGSA-N"	"InChI=1S/C14H21N3O2/c18-14(19-8-10-4-2-1-3-5-10)17-12-6-11(12)13-7-15-9-16-13/h7,9-12H,1-6,8H2,(H,15,16)(H,17,18)/t11-,12-/m1/s1"	""	""	""
"5982"	"GTP-14564"	""	"Synthetic organic"	""	""	""	""	"178102605"	"3385203"	""	""	"CHEMBL406375"	""	""	""	""	"5-phenyl-7-oxa-3,4-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),4,8,10-pentaene"	""	""	"c1ccc(cc1)c1n[nH]c2c1oc1c2cccc1"	"DZQLVVLATXPWBK-UHFFFAOYSA-N"	"InChI=1S/C15H10N2O/c1-2-6-10(7-3-1)13-15-14(17-16-13)11-8-4-5-9-12(11)18-15/h1-9H,(H,16,17)"	""	""	""
"4207"	"GTP&gamma;S"	""	"Synthetic organic"	""	""	""	""	"178101024"	"135476260"	""	""	""	""	""	""	""	"({[({[5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(sulfanylidene)phosphonous acid"	""	""	"OC1C(COP(=O)(OP(=O)(OP(=S)(O)O)O)O)OC(C1O)n1cnc2c1[nH]c(N)nc2=O"	"XOFLBQFBSOEHOG-UHFFFAOYSA-N"	"InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)"	""	""	""
"11384"	"GTS-21"	""	"Synthetic organic"	""	""	""	""	"440816753"	"5310985"	""	""	"CHEMBL134713"	""	""	""	""	"3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine"	""	"DMBX-A"	"COc1cc(OC)ccc1/C=C/1\CCCN=C1c1cccnc1"	"RPYWXZCFYPVCNQ-RVDMUPIBSA-N"	"InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+"	""	""	""
"7617"	"guaifenesin"	""	"Synthetic organic"	"yes"	""	""	""	"223365952"	"3516"	""	""	"CHEMBL980"	""	""	""	""	"3-(2-methoxyphenoxy)propane-1,2-diol"	"guaifenesin"	"glyceryl guaiacolate|guaiphenesin|Mucinex&reg;"	"OCC(COc1ccccc1OC)O"	"HSRJKNPTNIJEKV-UHFFFAOYSA-N"	"InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3"	""	""	""
"5443"	"guanabenz"	""	"Synthetic organic"	"yes"	""	""	""	"178102094"	"5353646"	""	""	"CHEMBL1331786"	""	""	""	""	""	"guanabenz"	"GBZ|NSC 68982|Wy 8678|Wytensin&reg;"	"NC(=N/N=C\c1c(Cl)cccc1Cl)N"	"WDZVGELJXXEGPV-PQMHYQBVSA-N"	"InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4-"	""	""	""
"7193"	"guanadrel"	""	"Synthetic organic"	"yes"	""	""	""	"178103768"	"38521"	""	""	"CHEMBL1037"	""	""	""	""	"1-{1,4-dioxaspiro[4.5]decan-2-ylmethyl}guanidine"	"guanadrel"	"CL-1388R|Hylorel&reg;|U-28288D"	"NC(=N)NCC1COC2(O1)CCCCC2"	"HPBNRIOWIXYZFK-UHFFFAOYSA-N"	"InChI=1S/C10H19N3O2/c11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10/h8H,1-7H2,(H4,11,12,13)"	""	""	""
"7194"	"guanethidine"	""	"Synthetic organic"	"yes"	""	""	""	"178103769"	"3518"	""	""	"CHEMBL765"	""	""	""	""	"1-[2-(azocan-1-yl)ethyl]guanidine"	"guanethidine"	"Ismelin&reg;|SU-5864"	"NC(=N)NCCN1CCCCCCC1"	"ACGDKVXYNVEAGU-UHFFFAOYSA-N"	"InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)"	""	""	""
"522"	"guanfacine"	""	"Synthetic organic"	"yes"	""	""	""	"135650327"	"3519"	""	""	"CHEMBL862"	""	""	""	""	"N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide"	"guanfacine"	"Estulic&reg;|Intuniv&reg;|Tenex&reg;"	"O=C(Cc1c(Cl)cccc1Cl)N=C(N)N"	"INJOMKTZOLKMBF-UHFFFAOYSA-N"	"InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)"	""	""	""
"4783"	"guanidine"	""	"Metabolite"	"yes"	""	""	""	"178101485"	"3520"	""	""	"CHEMBL821"	""	""	""	""	"guanidine"	""	""	"NC(=N)N"	"ZRALSGWEFCBTJO-UHFFFAOYSA-N"	"InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)"	""	""	""
"5492"	"guanidinoethane sulfonic acid"	""	"Synthetic organic"	""	""	""	""	"178102139"	"68340"	""	""	"CHEMBL21832"	""	""	""	""	"2-(diaminomethylideneazaniumyl)ethanesulfonate"	""	"&gamma;-guanidino sulphonic acid"	"NC(=N)NCCS(=O)(=O)O"	"JKLRIMRKZBSSED-UHFFFAOYSA-N"	"InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)"	""	""	""
"5325"	"guanidoacetic acid"	""	"Metabolite"	""	""	""	""	"178101991"	"763"	""	""	"CHEMBL281593"	""	""	""	""	"N-(aminoiminomethyl)-glycine"	""	"glycocyamine|guanidineacetic acid|guanidinoacetate"	"NC(=N)NCC(=O)O"	"BPMFZUMJYQTVII-UHFFFAOYSA-N"	"InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)"	""	""	""
"4556"	"guanine"	""	"Metabolite"	""	""	""	""	"178101277"	"135398634"	""	""	"CHEMBL219568"	""	""	""	""	"2-amino-6,9-dihydro-1H-purin-6-one"	""	""	"Nc1[nH]c(=O)c2c(n1)[nH]cn2"	"UYTPUPDQBNUYGX-UHFFFAOYSA-N"	"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)"	""	""	""
"4567"	"guanosine"	""	"Metabolite"	""	""	""	""	"178101288"	"135398635"	""	""	"CHEMBL375655"	""	""	""	""	"2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one"	""	""	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N)[nH]c2=O"	"NYHBQMYGNKIUIF-UUOKFMHZSA-N"	"InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1"	""	""	""
"2410"	"guanosine 5'-diphosphate"	""	"Metabolite"	""	""	""	""	"135650298"	"135398619"	""	""	"CHEMBL384759"	""	""	""	""	"[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate"	""	"GDP|guanosine diphosphate"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(N)nc2=O"	"QGWNDRXFNXRZMB-UUOKFMHZSA-N"	"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1"	""	""	""
"1742"	"guanosine-5'-triphosphate"	""	"Metabolite"	""	""	""	""	"135650326"	"135398633"	""	""	""	""	""	""	""	"[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate"	""	"GTP|guanosine triphosphate"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(N)nc2=O"	"XKMLYUALXHKNFT-UUOKFMHZSA-N"	"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1"	""	""	""
"4945"	"guanylin"	"Human"	"Peptide"	""	""	""	""	"178101643"	"0"	"Q02747"	"ENSG00000197273"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3276"	"guanylpirenzepine"	""	"Synthetic organic"	""	""	""	""	"178100317"	"129786"	""	""	""	""	""	""	""	"4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazine-1-carboximidamide"	""	""	"NC(=N)N1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2"	"YGBQWISDDSXPRF-UHFFFAOYSA-N"	"InChI=1S/C19H21N7O2/c20-19(21)25-10-8-24(9-11-25)12-16(27)26-15-6-2-1-4-13(15)18(28)23-14-5-3-7-22-17(14)26/h1-7H,8-12H2,(H3,20,21)(H,23,28)"	""	""	""
"9164"	"guanylyl cyclase-activating protein 1"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"315661247"	"0"	"P43080|P43081"	"ENSG00000048545|ENSMUSG00000023982"	""	""	""	""	""	""	""	"GCAP1"	""	""	""	""	""	""
"9165"	"guanylyl cyclase-activating protein 2"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"315661248"	"0"	"Q9UMX6|Q8VBV8"	"ENSG00000112599|ENSMUSG00000023979"	""	""	""	""	""	""	""	"GCAP2"	""	""	""	""	""	""
"6173"	"Gue1654"	""	"Synthetic organic"	""	""	""	""	"178102794"	"5066134"	""	""	""	""	""	""	""	"N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-2,2-di(phenyl)acetamide"	""	"Gue 1654"	"CSc1nc2c(s1)c1sc(nc1cc2)NC(=O)C(c1ccccc1)c1ccccc1"	"UFOBDFMYJABXGK-UHFFFAOYSA-N"	"InChI=1S/C23H17N3OS3/c1-28-23-25-17-13-12-16-19(20(17)30-23)29-22(24-16)26-21(27)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,18H,1H3,(H,24,26,27)"	""	""	""
"2745"	"guggulsterone"	""	"Natural product"	""	""	""	""	"135652690"	"6439929"	""	""	"CHEMBL402063"	""	""	""	""	"(8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione"	""	"E-guggulsterone|guggulsterones E|pregna-4,17-diene-3,16-dione"	"C/C=C\1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C"	"WDXRGPWQVHZTQJ-AUKWTSKRSA-N"	"InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4-/t15-,17+,18+,20+,21-/m1/s1"	""	""	""
"11623"	"gumarontinib"	""	"Synthetic organic"	""	""	""	""	"442878657"	"117797905"	""	""	"CHEMBL4594400"	""	""	""	""	"6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,3-b]pyridine"	"gumarontinib"	"glumetinib (pseoudo INN)|SCC-224|SCC224"	"Cn1ncc(c1)c1ccc2n(c1)c(cn2)S(=O)(=O)n1ncc2c1cc(cn2)c1cnn(c1)C"	"RYBLECYFLJXEJX-UHFFFAOYSA-N"	"InChI=1S/C21H17N9O2S/c1-27-11-16(7-24-27)14-3-4-20-23-10-21(29(20)13-14)33(31,32)30-19-5-15(6-22-18(19)9-26-30)17-8-25-28(2)12-17/h3-13H,1-2H3"	""	""	""
"13889"	"gumokimab"	""	"Antibody"	""	""	""	""	"513757574"	"0"	""	""	""	""	""	""	""	""	"gumokimab"	"AK-111|AK111"	""	""	""	"yes"	""	""
"11669"	"gunagratinib"	""	"Synthetic organic"	""	""	""	""	"442878695"	"138734912"	""	""	""	""	""	""	""	"3-[2-(3,5-dimethoxyphenyl)ethynyl]-5-(methylamino)-1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]pyrazole-4-carboxamide"	"gunagratinib"	"ICP-192|ICP192"	"CNc1c(c(nn1[C@H]1CCN(C1)C(=O)C=C)C#Cc1cc(cc(c1)OC)OC)C(=O)N"	"QFUIJOBJAQBGDH-HNNXBMFYSA-N"	"InChI=1S/C22H25N5O4/c1-5-19(28)26-9-8-15(13-26)27-22(24-2)20(21(23)29)18(25-27)7-6-14-10-16(30-3)12-17(11-14)31-4/h5,10-12,15,24H,1,8-9,13H2,2-4H3,(H2,23,29)/t15-/m0/s1"	""	""	""
"10000"	"gusacitinib"	""	"Synthetic organic"	""	""	""	""	"374883887"	"71269142"	""	""	""	""	""	""	""	""	"gusacitinib"	"ASN-002|ASN002|example 189 [WO2013028818A1]"	"N#CCC1CCN(CC1)c1nc(Nc2ccc(cc2)N2CCC(CC2)O)c2c(n1)cn[nH]c2=O"	"NLFLXLJXEIUQDL-UHFFFAOYSA-N"	"InChI=1S/C24H28N8O2/c25-10-5-16-6-11-32(12-7-16)24-28-20-15-26-30-23(34)21(20)22(29-24)27-17-1-3-18(4-2-17)31-13-8-19(33)9-14-31/h1-4,15-16,19,33H,5-9,11-14H2,(H,30,34)(H,27,28,29)"	"yes"	""	""
"7998"	"guselkumab"	""	"Antibody"	"yes"	""	""	""	"249565678"	"0"	""	""	""	""	""	""	""	""	"guselkumab"	"CNTO-1959|Tremfya&reg;"	""	""	""	"yes"	""	""
"4691"	"guvacine"	""	"Natural product"	""	""	""	""	"178101404"	"3532"	""	""	"CHEMBL76768"	""	""	""	""	"1,2,5,6-tetrahydropyridine-3-carboxylic acid"	""	""	"OC(=O)C1=CCCNC1"	"QTDZOWFRBNTPQR-UHFFFAOYSA-N"	"InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)"	""	""	""
"3503"	"GV150013"	""	"Synthetic organic"	""	""	""	""	"178100490"	"5311147"	""	""	"CHEMBL329305"	""	""	""	""	"1-[(3R)-1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea"	""	"GV 150013"	"O=C(N[C@H]1C(=O)N(c2ccccc2)c2c(N(C1=O)CC13CC4CC(C3)CC(C1)C4)cccc2)Nc1ccccc1"	"RZERRLOTRSJIAW-NEPGVILWSA-N"	"InChI=1S/C33H34N4O3/c38-30-29(35-32(40)34-25-9-3-1-4-10-25)31(39)37(26-11-5-2-6-12-26)28-14-8-7-13-27(28)36(30)21-33-18-22-15-23(19-33)17-24(16-22)20-33/h1-14,22-24,29H,15-21H2,(H2,34,35,40)/t22?,23?,24?,29-,33?/m1/s1"	""	""	""
"4208"	"GV196771A"	""	"Synthetic organic"	""	""	""	""	"178101025"	"21202952"	""	""	""	""	""	""	""	"4,6-dichloro-3-{[(3E)-2-oxo-1-phenylpyrrolidin-3-ylidene]methyl}-1H-indole-2-carboxylate"	""	"GV 196771A"	"Clc1cc(Cl)c2c(c1)[nH]c(c2/C=C/1\CCN(C1=O)c1ccccc1)C(=O)[O-]"	"VDIRQCDDCGAGET-DHZHZOJOSA-M"	"InChI=1S/C20H14Cl2N2O3/c21-12-9-15(22)17-14(18(20(26)27)23-16(17)10-12)8-11-6-7-24(19(11)25)13-4-2-1-3-5-13/h1-5,8-10,23H,6-7H2,(H,26,27)/p-1/b11-8+"	""	""	""
"2695"	"GW0072"	""	"Synthetic organic"	""	""	""	""	"135651255"	"449532"	""	""	""	""	""	""	""	"4-[4-[(2S,5S)-5-[2-(bis(phenylmethyl)amino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl]butyl]benzoic acid"	""	"GW 0072"	"CCCCCCC[C@@H]1S[C@H](C(=O)N1CCCCc1ccc(cc1)C(=O)O)CC(=O)N(Cc1ccccc1)Cc1ccccc1"	"GHJJBEKMPCOSRH-LRHLLKFHSA-N"	"InChI=1S/C37H46N2O4S/c1-2-3-4-5-12-20-35-39(25-14-13-15-29-21-23-32(24-22-29)37(42)43)36(41)33(44-35)26-34(40)38(27-30-16-8-6-9-17-30)28-31-18-10-7-11-19-31/h6-11,16-19,21-24,33,35H,2-5,12-15,20,25-28H2,1H3,(H,42,43)/t33-,35-/m0/s1"	""	""	""
"2686"	"GW0742X"	""	"Synthetic organic"	""	""	""	""	"135650328"	"9934458"	""	""	"CHEMBL38508"	""	""	""	""	"2-[4-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-methylphenoxy]acetic acid"	""	"GW-0742X|GW0742"	"OC(=O)COc1ccc(cc1C)SCc1sc(nc1C)c1ccc(c(c1)F)C(F)(F)F"	"HWVNEWGKWRGSRK-UHFFFAOYSA-N"	"InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)"	""	""	""
"1057"	"GW1100"	""	"Synthetic organic"	""	""	""	""	"135650329"	"11692123"	""	""	""	""	""	""	""	"ethyl 4-[5-[(2-ethoxypyrimidin-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]benzoate"	""	"GW 1100|GW-1100"	"CCOc1ncc(cn1)Cc1cn(c2ccc(cc2)C(=O)OCC)c(nc1=O)SCc1ccc(cc1)F"	"PTPNCCWOTBBVJR-UHFFFAOYSA-N"	"InChI=1S/C27H25FN4O4S/c1-3-35-25(34)20-7-11-23(12-8-20)32-16-21(13-19-14-29-26(30-15-19)36-4-2)24(33)31-27(32)37-17-18-5-9-22(28)10-6-18/h5-12,14-16H,3-4,13,17H2,1-2H3"	""	""	""
"2703"	"GW1929"	""	"Synthetic organic"	""	""	""	""	"135650330"	"6518171"	""	""	"CHEMBL434063"	""	""	""	""	"(2S)-2-[[2-(benzoyl)phenyl]amino]-3-[4-[2-(methyl-pyridin-2-ylamino)ethoxy]phenyl]propanoic acid"	""	"GW 1929|GW-1929"	"OC(=O)[C@@H](Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OCCN(c1ccccn1)C"	"QTQMRBZOBKYXCG-MHZLTWQESA-N"	"InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1"	""	""	""
"2680"	"GW2331"	""	"Synthetic organic"	""	""	""	""	"135650331"	"657048"	""	""	"CHEMBL248906"	""	""	""	""	"(2S)-2-[4-[2-[(2,4-difluorophenyl)carbamoyl-heptylamino]ethyl]phenoxy]-2-methylbutanoic acid"	""	"GW 2331|GW-2331"	"CCCCCCCN(C(=O)Nc1ccc(cc1F)F)CCc1ccc(cc1)O[C@](C(=O)O)(CC)C"	"VGSJXSLGVQINOL-MHZLTWQESA-N"	"InChI=1S/C27H36F2N2O4/c1-4-6-7-8-9-17-31(26(34)30-24-15-12-21(28)19-23(24)29)18-16-20-10-13-22(14-11-20)35-27(3,5-2)25(32)33/h10-15,19H,4-9,16-18H2,1-3H3,(H,30,34)(H,32,33)/t27-/m0/s1"	""	""	""
"2716"	"GW2433"	""	"Synthetic organic"	""	""	""	""	"135650332"	"1517"	""	""	"CHEMBL435278"	""	""	""	""	"2-[4-[3-[2-(2-chloro-6-fluorophenyl)ethyl-[(2,3-dichlorophenyl)carbamoyl]amino]propyl]phenoxy]-2-methylpropanoic acid"	""	"GW 2433|GW-2433"	"O=C(N(CCc1c(F)cccc1Cl)CCCc1ccc(cc1)OC(C(=O)O)(C)C)Nc1cccc(c1Cl)Cl"	"YMWJDWJXIXITMD-UHFFFAOYSA-N"	"InChI=1S/C28H28Cl3FN2O4/c1-28(2,26(35)36)38-19-13-11-18(12-14-19)6-5-16-34(17-15-20-21(29)7-3-9-23(20)32)27(37)33-24-10-4-8-22(30)25(24)31/h3-4,7-14H,5-6,15-17H2,1-2H3,(H,33,37)(H,35,36)"	""	""	""
"5685"	"GW-2580"	""	"Synthetic organic"	""	""	""	""	"178102312"	"11617559"	""	""	"CHEMBL261849"	""	""	""	""	"5-({3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl}methyl)pyrimidine-2,4-diamine"	""	"cFMS receptor tyrosine kinase inhibitor|GW2580|GW632580X"	"COc1cc(ccc1OCc1ccc(cc1)OC)Cc1cnc(nc1N)N"	"MYQAUKPBNJWPIE-UHFFFAOYSA-N"	"InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)"	""	""	""
"9849"	"GW274150"	""	"Synthetic organic"	""	""	""	""	"363894143"	"9797017"	""	""	"CHEMBL114551"	""	""	""	""	"(2S)-2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic acid"	""	"[2-[(1-iminoethyl) amino]ethyl]-L-homocysteine|GW-274150"	"CC(=NCCSCC[C@@H](C(=O)O)N)N"	"MOLOJNHYNHBPCW-ZETCQYMHSA-N"	"InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1"	"yes"	""	""
"2754"	"GW3965"	""	"Synthetic organic"	""	""	""	""	"135650333"	"447905"	""	""	"CHEMBL59030"	""	""	""	""	"2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-[2,2-di(phenyl)ethyl]amino]propoxy]phenyl]acetic acid"	""	"C473027|GW 3965|GW-3965"	"OC(=O)Cc1cccc(c1)OCCCN(CC(c1ccccc1)c1ccccc1)Cc1cccc(c1Cl)C(F)(F)F"	"NAXSRXHZFIBFMI-UHFFFAOYSA-N"	"InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)"	"yes"	""	""
"11149"	"GW405833"	""	"Synthetic organic"	""	""	""	""	"434122209"	"9911463"	""	""	""	""	""	""	""	"(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone"	""	"GW 405833|GW-405833|L-768,242|L768242"	"COc1ccc2c(c1)c(CCN1CCOCC1)c(n2C(=O)c1cccc(c1Cl)Cl)C"	"FSFZRNZSZYDVLI-UHFFFAOYSA-N"	"InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3"	""	""	""
"9850"	"GW406381"	""	"Synthetic organic"	""	""	""	""	"363894144"	"9832687"	""	""	"CHEMBL364804"	""	""	""	""	"2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[5,1-f]pyridazine"	""	"compound 8 [PMID: 15454242]|GW-406381"	"CCOc1ccc(cc1)c1nn2c(c1c1ccc(cc1)S(=O)(=O)C)cccn2"	"NXMZBNYLCVTRGB-UHFFFAOYSA-N"	"InChI=1S/C21H19N3O3S/c1-3-27-17-10-6-16(7-11-17)21-20(19-5-4-14-22-24(19)23-21)15-8-12-18(13-9-15)28(2,25)26/h4-14H,3H2,1-2H3"	"yes"	""	""
"2743"	"GW4064"	""	"Synthetic organic"	""	""	""	""	"135650334"	"9893571"	""	""	"CHEMBL318457"	""	""	""	""	"3-[(E)-2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]ethenyl]benzoic acid"	""	"C412815|GW-4064"	"Clc1cc(ccc1/C=C/c1cccc(c1)C(=O)O)OCc1c(onc1c1c(Cl)cccc1Cl)C(C)C"	"BYTNEISLBIENSA-MDZDMXLPSA-N"	"InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+"	""	""	""
"2656"	"GW409544"	""	"Synthetic organic"	""	""	""	""	"135650335"	"446642"	""	""	"CHEMBL410478"	""	""	""	""	"(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(Z)-4-oxo-4-phenylbut-2-en-2-yl]amino]propanoic acid"	""	"GW 409544"	"C/C(=C/C(=O)c1ccccc1)/N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1"	"GGUVRMBIEPYOKL-WMVCGJOFSA-N"	"InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,19,28,32H,17-18,20H2,1-2H3,(H,35,36)/b21-19-/t28-/m0/s1"	""	""	""
"4946"	"GW441756"	""	"Synthetic organic"	""	""	""	""	"178101644"	"73755109"	""	""	""	""	""	""	""	"(3Z)-3-[(1-methyl-1H-indol-3-yl)methylidene]-1H,2H,3H-pyrrolo[3,2-b]pyridin-2-one hydrochloride"	""	"GW 441756|GW-441756"	"O=C1Nc2c(/C/1=C/c1cn(c3c1cccc3)C)nccc2.Cl"	"GXUJPQDCLCDKLU-CHHCPSLASA-N"	"InChI=1S/C17H13N3O.ClH/c1-20-10-11(12-5-2-3-7-15(12)20)9-13-16-14(19-17(13)21)6-4-8-18-16;/h2-10H,1H3,(H,19,21);1H/b13-9-;"	""	""	""
"2687"	"GW501516"	""	"Synthetic organic"	""	""	""	""	"135650336"	"9803963"	""	""	"CHEMBL38943"	""	""	""	""	"2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid"	""	"GSK-516|GW 501516|GW-501516|GW1516"	"OC(=O)COc1ccc(cc1C)SCc1sc(nc1C)c1ccc(cc1)C(F)(F)F"	"YDBLKRPLXZNVNB-UHFFFAOYSA-N"	"InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)"	""	""	""
"8072"	"GW5074"	""	"Synthetic organic"	""	""	""	""	"249565752"	"5924208"	""	""	"CHEMBL72365"	""	""	""	""	"3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one"	""	"GW-5074|Raf1 kinase inhibitor I"	"Ic1ccc2c(c1)/C(=C/c1cc(Br)c(c(c1)Br)O)/C(=O)N2"	"LMXYVLFTZRPNRV-KMKOMSMNSA-N"	"InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-"	""	""	""
"9313"	"GW542573X"	""	"Synthetic organic"	""	""	""	""	"318164832"	"24885053"	""	""	""	""	""	""	""	"tert-butyl 4-({[(2-methoxyphenyl)carbamoyl]oxy}methyl)piperidine-1-carboxylate"	""	""	"COc1ccccc1NC(=O)OCC1CCN(CC1)C(=O)OC(C)(C)C"	"SAXGSDIZIYFNKD-UHFFFAOYSA-N"	"InChI=1S/C19H28N2O5/c1-19(2,3)26-18(23)21-11-9-14(10-12-21)13-25-17(22)20-15-7-5-6-8-16(15)24-4/h5-8,14H,9-13H2,1-4H3,(H,20,22)"	""	""	""
"865"	"GW-5823"	""	"Synthetic organic"	""	""	""	""	"135650337"	"5311148"	""	""	"CHEMBL293226"	""	""	""	""	"2-[3-(2H-indazol-3-ylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide"	""	"GW 5823|GW5823"	"COc1ccc(cc1)N(C(=O)CN1C(=O)C(Cc2[nH]nc3c2cccc3)C(=O)N(c2c1cccc2)c1ccccc1)C(C)C"	"LGYKPDHARJMLQN-UHFFFAOYSA-N"	"InChI=1S/C35H33N5O4/c1-23(2)39(25-17-19-26(44-3)20-18-25)33(41)22-38-31-15-9-10-16-32(31)40(24-11-5-4-6-12-24)35(43)28(34(38)42)21-30-27-13-7-8-14-29(27)36-37-30/h4-20,23,28H,21-22H2,1-3H3,(H,36,37)"	""	""	""
"4947"	"GW583340"	""	"Synthetic organic"	""	""	""	""	"178101645"	"16219404"	""	""	"CHEMBL1356199"	""	""	""	""	"N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(2-{[(2-methanesulfonylethyl)amino]methyl}-1,3-thiazol-4-yl)quinazolin-4-amine dihydrochloride"	""	"GW 583340"	"Fc1cccc(c1)COc1ccc(cc1Cl)Nc1ncnc2c1cc(cc2)c1csc(n1)CNCCS(=O)(=O)C.Cl.Cl"	"WIMITXDBYLKRKB-UHFFFAOYSA-N"	"InChI=1S/C28H25ClFN5O3S2.2ClH/c1-40(36,37)10-9-31-14-27-35-25(16-39-27)19-5-7-24-22(12-19)28(33-17-32-24)34-21-6-8-26(23(29)13-21)38-15-18-3-2-4-20(30)11-18;;/h2-8,11-13,16-17,31H,9-10,14-15H2,1H3,(H,32,33,34);2*1H"	""	""	""
"1953"	"GW 627368"	""	"Synthetic organic"	""	""	""	""	"135650338"	"5312130"	""	""	"CHEMBL1628527"	""	""	""	""	"2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]-N-phenylsulfonylacetamide"	""	"GW-627368|GW627368|saccharic acid"	"CCOc1c2C(=O)N(Cc2c(c2c1cccc2)OCC)c1ccc(cc1)CC(=O)NS(=O)(=O)c1ccccc1"	"XREWXJVMYAXCJV-UHFFFAOYSA-N"	"InChI=1S/C30H28N2O6S/c1-3-37-28-23-12-8-9-13-24(23)29(38-4-2)27-25(28)19-32(30(27)34)21-16-14-20(15-17-21)18-26(33)31-39(35,36)22-10-6-5-7-11-22/h5-17H,3-4,18-19H2,1-2H3,(H,31,33)"	"yes"	""	""
"3440"	"GW6471"	""	"Synthetic organic"	""	""	""	""	"178100440"	"446738"	""	""	"CHEMBL500272"	""	""	""	""	"N-[(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(Z)-4-oxo-4-[4-(trifluoromethyl)phenyl]but-2-en-2-yl]amino]propyl]propanamide"	""	"GW 6471|GW-6471"	"CCC(=O)NC[C@H](Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1)N/C(=C\C(=O)c1ccc(cc1)C(F)(F)F)/C"	"TYEFSRMOUXWTDN-DYQICHDWSA-N"	"InChI=1S/C35H36F3N3O4/c1-4-33(43)39-22-29(40-23(2)20-32(42)26-12-14-28(15-13-26)35(36,37)38)21-25-10-16-30(17-11-25)44-19-18-31-24(3)45-34(41-31)27-8-6-5-7-9-27/h5-17,20,29,40H,4,18-19,21-22H2,1-3H3,(H,39,43)/b23-20-/t29-/m0/s1"	""	""	""
"2674"	"GW7647"	""	"Synthetic organic"	""	""	""	""	"135650339"	"3392731"	""	""	"CHEMBL21241"	""	""	""	""	"2-[4-[2-(4-cyclohexylbutyl-(cyclohexylcarbamoyl)amino)ethyl]phenyl]sulfanyl-2-methylpropanoic acid"	""	"GW 7647|GW-7647"	"O=C(N(CCc1ccc(cc1)SC(C(=O)O)(C)C)CCCCC1CCCCC1)NC1CCCCC1"	"PKNYXWMTHFMHKD-UHFFFAOYSA-N"	"InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)"	""	""	""
"9680"	"GW766994"	""	"Synthetic organic"	""	""	""	""	"348353639"	"9825034"	""	""	"CHEMBL2178574"	""	""	""	""	"4-[[[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]benzamide"	""	"GSK766994|GW-766994"	"O=C(NCc1ccc(cc1)C(=O)N)NC[C@H]1OCCN(C1)Cc1ccc(c(c1)Cl)Cl"	"GPLUUMAKBFSDIE-QGZVFWFLSA-N"	"InChI=1S/C21H24Cl2N4O3/c22-18-6-3-15(9-19(18)23)12-27-7-8-30-17(13-27)11-26-21(29)25-10-14-1-4-16(5-2-14)20(24)28/h1-6,9,17H,7-8,10-13H2,(H2,24,28)(H2,25,26,29)/t17-/m1/s1"	"yes"	""	""
"2704"	"GW7845"	""	"Synthetic organic"	""	""	""	""	"135650340"	"9870584"	""	""	"CHEMBL106666"	""	""	""	""	"(2S)-2-[(2-methoxycarbonylphenyl)amino]-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid"	""	"GW 7845|GW-7845"	"COC(=O)c1ccccc1N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1"	"KEGOAFNIGUBYHZ-SANMLTNESA-N"	"InChI=1S/C29H28N2O6/c1-19-24(31-27(37-19)21-8-4-3-5-9-21)16-17-36-22-14-12-20(13-15-22)18-26(28(32)33)30-25-11-7-6-10-23(25)29(34)35-2/h3-15,26,30H,16-18H2,1-2H3,(H,32,33)/t26-/m0/s1"	""	""	""
"9022"	"GW791343"	""	"Synthetic organic"	""	""	""	""	"315661107"	"9848160"	""	""	"CHEMBL3186981"	""	""	""	""	"2-[(3,4-difluorophenyl)amino]-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide"	""	"GW-791343"	"O=C(Nc1cc(ccc1C)CN1CCNCC1)CNc1ccc(c(c1)F)F"	"GRUWKTIRBBPZSD-UHFFFAOYSA-N"	"InChI=1S/C20H24F2N4O/c1-14-2-3-15(13-26-8-6-23-7-9-26)10-19(14)25-20(27)12-24-16-4-5-17(21)18(22)11-16/h2-5,10-11,23-24H,6-9,12-13H2,1H3,(H,25,27)"	""	""	""
"4033"	"GW803430"	""	"Synthetic organic"	""	""	""	""	"178100858"	"9826520"	""	""	"CHEMBL214957"	""	""	""	""	"6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]thieno[2,3-e]pyrimidin-4-one"	""	"GW 803430|GW-803,430"	"COc1cc(ccc1OCCN1CCCC1)n1cnc2c(c1=O)sc(c2)c1ccc(cc1)Cl"	"MWULMTACIBZPGN-UHFFFAOYSA-N"	"InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3"	""	""	""
"7514"	"GW841819X"	""	"Synthetic organic"	""	""	""	""	"187051816"	"13953710"	""	""	"CHEMBL2153434"	""	""	""	""	"phenylmethyl N-(1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)carbamate"	""	"KB-75882"	"O=C(NC1N=C(c2ccccc2)c2c(n3c1nnc3C)cccc2)OCc1ccccc1"	"TUWDLUFFAHHNEF-UHFFFAOYSA-N"	"InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)"	""	""	""
"12753"	"GW842166"	""	"Synthetic organic"	""	""	""	""	"483123301"	"10253143"	""	""	"CHEMBL225411"	""	""	""	""	"2-(2,4-dichloroanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide"	""	"compound 35 [PMID: 17477516]|GW8-42166|GW8-42166X|GW842166X"	"ClC1=C(NC2=NC=C(C(=N2)C(F)(F)F)C(=O)NCC3CCOCC3)C=CC(=C1)Cl"	"TWQYWUXBZHPIIV-UHFFFAOYSA-N"	"InChI=1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)"	""	""	""
"3360"	"GW848687X"	""	"Synthetic organic"	""	""	""	""	"178100386"	"10238338"	""	""	"CHEMBL234940"	""	""	""	""	"6-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-1-cyclopentenyl]pyridine-2-carboxylic acid"	""	"GW 848687X|GW-848687X"	"Clc1ccc(c(c1)C1=C(CCC1)c1cccc(n1)C(=O)O)OCc1ccc(cc1F)F"	"PFODPHDNBFSMOX-UHFFFAOYSA-N"	"InChI=1S/C24H18ClF2NO3/c25-15-8-10-23(31-13-14-7-9-16(26)12-20(14)27)19(11-15)17-3-1-4-18(17)21-5-2-6-22(28-21)24(29)30/h2,5-12H,1,3-4,13H2,(H,29,30)"	""	""	""
"8645"	"GW853606"	""	"Synthetic organic"	""	""	""	""	"252166845"	"25263088"	""	""	"CHEMBL481510"	""	""	""	""	"3-[(2-bromophenyl)methoxy]-5-[6-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide"	""	"compound 22 [PMID: 19097784]|GW853606X"	"NC(=O)c1sc(cc1OCc1ccccc1Br)n1cnc2c1cc(cc2)C(F)(F)F"	"LOKKVFGDJAVMLU-UHFFFAOYSA-N"	"InChI=1S/C20H13BrF3N3O2S/c21-13-4-2-1-3-11(13)9-29-16-8-17(30-18(16)19(25)28)27-10-26-14-6-5-12(7-15(14)27)20(22,23)24/h1-8,10H,9H2,(H2,25,28)"	""	""	""
"1050"	"GW9508"	""	"Synthetic organic"	""	""	""	""	"135650341"	"11595431"	""	""	"CHEMBL207881"	""	""	""	""	"3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid"	""	"GW 9508|GW-9508"	"OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1"	"DGENZVKCTGIDRZ-UHFFFAOYSA-N"	"InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)"	""	""	""
"2673"	"GW9578"	""	"Synthetic organic"	""	""	""	""	"135650342"	"9870304"	""	""	"CHEMBL278590"	""	""	""	""	"2-[4-[2-[(2,4-difluorophenyl)carbamoyl-heptylamino]ethyl]phenyl]sulfanyl-2-methylpropanoic acid"	""	"GW 9578|GW-9578"	"CCCCCCCN(C(=O)Nc1ccc(cc1F)F)CCc1ccc(cc1)SC(C(=O)O)(C)C"	"KYQNYMXQHLMADB-UHFFFAOYSA-N"	"InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)"	""	""	""
"3442"	"GW9662"	""	"Synthetic organic"	""	""	""	""	"178100442"	"644213"	""	""	"CHEMBL375270"	""	""	""	""	"2-Chloro-5-nitro-N-phenylbenzamide"	""	"GW 9662|GW-9662"	"Clc1ccc(cc1C(=O)Nc1ccccc1)[N+](=O)[O-]"	"DNTSIBUQMRRYIU-UHFFFAOYSA-N"	"InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)"	""	""	""
"7760"	"GxTx-1E"	""	"Peptide"	""	""	""	""	"223366093"	"0"	"P84835"	""	""	""	""	""	""	""	""	"&kappa;-theraphotoxin-Pg1a|&kappa;-TRTX-Pg1a|guangxitoxin-1E"	""	""	""	""	""	""
"4209"	"GYKI53655"	""	"Synthetic organic"	""	""	""	""	"178101026"	"126758"	""	""	"CHEMBL267450"	""	""	""	""	"10-(4-aminophenyl)-N,13-dimethyl-4,6-dioxa-11,12-diazatricyclo[7.5.0.0^{3,7}]tetradeca-1(9),2,7,10-tetraene-12-carboxamide"	""	"GYKI 53655|GYKI-53655|LY300168"	"CNC(=O)N1N=C(c2ccc(cc2)N)c2c(CC1C)cc1c(c2)OCO1"	"SMGACXZFVXKEAX-UHFFFAOYSA-N"	"InChI=1S/C19H20N4O3/c1-11-7-13-8-16-17(26-10-25-16)9-15(13)18(22-23(11)19(24)21-2)12-3-5-14(20)6-4-12/h3-6,8-9,11H,7,10,20H2,1-2H3,(H,21,24)"	""	""	""
"4210"	"GYKI53784"	""	"Synthetic organic"	""	""	""	""	"178101027"	"3538"	""	""	"CHEMBL275006"	""	""	""	""	"4-{13-methyl-4,6-dioxa-11,12-diazatricyclo[7.5.0.0^{3,7}]tetradeca-1(9),2,7,10,12-pentaen-10-yl}aniline"	""	"GYKI-52466|LY303070"	"Nc1ccc(cc1)C1=NN=C(Cc2c1cc1OCOc1c2)C"	"LFBZZHVSGAHQPP-UHFFFAOYSA-N"	"InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3"	""	""	""
"3883"	"GYPGKF-NH2"	""	"Peptide"	""	""	""	""	"178100719"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3739"	"GYPGQV-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"178100603"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9808"	"GYY4137 parent molecule"	""	"Synthetic organic"	""	""	""	""	"354702280"	"53393943"	""	""	""	""	""	""	""	"(4-methoxyphenyl)-morpholin-4-yl-sulfanyl-sulfanylidene-$l^{5}-phosphane"	""	"GYY4137"	"COc1ccc(cc1)P(=S)(N1CCOCC1)S"	"QDSAKNAFJWRQIV-UHFFFAOYSA-N"	"InChI=1S/C11H16NO2PS2/c1-13-10-2-4-11(5-3-10)15(16,17)12-6-8-14-9-7-12/h2-5H,6-9H2,1H3,(H,16,17)"	"yes"	""	""
"9880"	"H05"	""	"Synthetic organic"	""	""	""	""	"363894174"	"121445232"	""	""	""	""	""	""	""	"(3-(benzo[d] [1,3] dioxol-4-yloxy)-3-(4-fluorophenyl)-N, N-dimethylpropan-1-amine"	""	""	"CN(CCC(c1ccc(cc1)F)Oc1cccc2c1OCO2)C"	"XFCIOLPMKMDDNQ-UHFFFAOYSA-N"	"InChI=1S/C18H20FNO3/c1-20(2)11-10-15(13-6-8-14(19)9-7-13)23-17-5-3-4-16-18(17)22-12-21-16/h3-9,15H,10-12H2,1-2H3"	""	""	""
"10122"	"H-151"	""	"Synthetic organic"	""	""	""	""	"381118832"	"7616033"	""	""	""	""	""	""	""	"3-(4-ethylphenyl)-1-(1H-indol-3-yl)urea"	""	"H 151|H151"	"CCc1ccc(cc1)NC(=O)Nc1c[nH]c2c1cccc2"	"UJZDIKVQFMCLBE-UHFFFAOYSA-N"	"InChI=1S/C17H17N3O/c1-2-12-7-9-13(10-8-12)19-17(21)20-16-11-18-15-6-4-3-5-14(15)16/h3-11,18H,2H2,1H3,(H2,19,20,21)"	"yes"	""	""
"6579"	"H2L5186303"	""	"Synthetic organic"	""	""	""	""	"178103193"	"73755226"	""	""	""	""	""	""	""	"(Z)-4-oxo-N-[4-[3-[4-[[(Z)-4-oxobut-2-enoyl]amino]phenoxy]phenoxy]phenyl]but-2-enamide"	""	"compound 4 [PMID: 19800804]"	"O=C/C=C\C(=O)Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)NC(=O)/C=C\C=O"	"BFNFDDZOFCRJTI-PORYWJCVSA-N"	"InChI=1S/C26H20N2O6/c29-16-2-6-25(31)27-19-8-12-21(13-9-19)33-23-4-1-5-24(18-23)34-22-14-10-20(11-15-22)28-26(32)7-3-17-30/h1-18H,(H,27,31)(H,28,32)/b6-2-,7-3-"	""	""	""
"11910"	"H3 14s18 stapled B-chain"	""	"Peptide"	""	""	""	""	"461663465"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11908"	"H3 Ac-B10-27(13-17 HC)"	""	"Peptide"	""	""	""	""	"461663463"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14152"	"H3B10-27(13/17&alpha;F)"	""	"Peptide"	""	""	""	""	"518520779"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"13019"	"H3B-960"	""	"Synthetic organic"	""	""	""	""	"485206140"	"169422754"	""	""	""	""	""	""	""	"N-(4-methylphenyl)-2-{4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyrimidine-2-sulfonamido}acetamide"	""	""	"CC1=CC=C(NC(=O)CNS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(OC(F)(F)F)C=C3)C=C1"	"VDXXEOQLOOYVPM-UHFFFAOYSA-N"	"InChI=1S/C21H16F6N4O4S/c1-12-2-6-14(7-3-12)29-18(32)11-28-36(33,34)19-30-16(10-17(31-19)20(22,23)24)13-4-8-15(9-5-13)35-21(25,26)27/h2-10,28H,11H2,1H3,(H,29,32)"	""	""	""
"13020"	"H3B-968"	""	"Synthetic organic"	""	""	""	""	"485206141"	"168476124"	""	""	""	""	""	""	""	"N-(4-ethylphenyl)-2-{4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyrimidine-2-sulfonamido}acetamide"	""	"H3B968"	"CCC1=CC=C(NC(=O)CNS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(OC(F)(F)F)C=C3)C=C1"	"ZLHLWRSVYPZIFD-UHFFFAOYSA-N"	"InChI=1S/C22H18F6N4O4S/c1-2-13-3-7-15(8-4-13)30-19(33)12-29-37(34,35)20-31-17(11-18(32-20)21(23,24)25)14-5-9-16(10-6-14)36-22(26,27)28/h3-11,29H,2,12H2,1H3,(H,30,33)"	""	""	""
"7035"	"H3-CoA-20"	""	"Peptide"	""	""	""	""	"178103614"	"0"	""	""	"CHEMBL1221562"	""	""	""	""	""	""	""	""	""	""	""	""	""
"11924"	"H3 relaxin (A chain)"	"Rat"	"Peptide"	""	""	""	""	"461663479"	"0"	"Q8BFS3"	"ENSRNOG00000005911"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11925"	"H3 relaxin (B chain)"	"Rat"	"Peptide"	""	""	""	""	"461663480"	"0"	"Q8BFS3"	"ENSRNOG00000005911"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9879"	"H4 antagonist 48"	""	"Synthetic organic"	""	""	""	""	"363894173"	"71548412"	""	""	""	""	""	""	""	""	""	""	"CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br"	"ICGICUHMULRYIQ-UHFFFAOYSA-N"	"InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3"	"yes"	""	""
"2348"	"H-8"	""	"Synthetic organic"	""	""	""	""	"135650343"	"3540"	""	""	"CHEMBL148333"	""	""	""	""	"N-(2-methylaminoethyl)isoquinoline-5-sulfonamide"	""	""	"CNCCNS(=O)(=O)c1cccc2c1ccnc2"	"PJWUXKNZVMEPPH-UHFFFAOYSA-N"	"InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3"	""	""	""
"542"	"H87/07"	""	"Synthetic organic"	""	""	""	""	"135650344"	"193122"	""	""	"CHEMBL142773"	""	""	""	""	"1-[4-(2-methoxyethoxy)phenoxy]-3-(propan-2-ylamino)propan-2-ol"	""	"H 87-07"	"COCCOc1ccc(cc1)OCC(CNC(C)C)O"	"FGAPARDHTDKREN-UHFFFAOYSA-N"	"InChI=1S/C15H25NO4/c1-12(2)16-10-13(17)11-20-15-6-4-14(5-7-15)19-9-8-18-3/h4-7,12-13,16-17H,8-11H2,1-3H3"	""	""	""
"5983"	"H-89"	""	"Synthetic organic"	""	""	""	""	"178102606"	"449241"	""	""	"CHEMBL104264"	""	""	""	""	"N-[2-[3-(4-bromophenyl)prop-2-enylamino]ethyl]isoquinoline-5-sulfonamide"	""	"H 89"	"Brc1ccc(cc1)/C=C/CNCCNS(=O)(=O)c1cccc2c1ccnc2"	"ZKZXNDJNWUTGDK-NSCUHMNNSA-N"	"InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+"	""	""	""
"4066"	"(+)-HA966"	""	"Synthetic organic"	""	""	""	""	"178100889"	"6603720"	""	""	"CHEMBL335231"	""	""	""	""	"(3R)-3-amino-1-hydroxypyrrolidin-2-one"	""	"(R)-(+)-HA-966"	"O=C1[C@H](N)CCN1O"	"HCKUBNLZMKAEIN-GSVOUGTGSA-N"	"InChI=1S/C4H8N2O2/c5-3-1-2-6(8)4(3)7/h3,8H,1-2,5H2/t3-/m1/s1"	""	""	""
"7195"	"halazepam"	""	"Synthetic organic"	"yes"	""	""	""	"178103770"	"31640"	""	""	"CHEMBL970"	""	""	""	""	"7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one"	"halazepam"	"Alapryl&reg;|SCH-12041"	"Clc1ccc2c(c1)C(=NCC(=O)N2CC(F)(F)F)c1ccccc1"	"WYCLKVQLVUQKNZ-UHFFFAOYSA-N"	"InChI=1S/C17H12ClF3N2O/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)22-9-15(24)23(14)10-17(19,20)21/h1-8H,9-10H2"	""	""	""
"10019"	"halofantrine"	""	"Synthetic organic"	"yes"	""	""	""	"375973209"	"37393"	""	""	"CHEMBL1107"	""	""	""	""	"3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol"	"halofantrine"	"Halfan&reg;|WR-171669"	"CCCCN(CCC(c1cc2c(Cl)cc(cc2c2c1ccc(c2)C(F)(F)F)Cl)O)CCCC"	"FOHHNHSLJDZUGQ-UHFFFAOYSA-N"	"InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3"	""	"yes"	""
"10153"	"halofuginone"	""	"Synthetic organic"	""	""	""	""	"381118863"	"62894"	""	""	"CHEMBL1197091"	""	""	""	""	"7-bromo-6-chloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]quinazolin-4-one"	"halofuginone"	""	"O=C(Cn1cnc2c(c1=O)cc(c(c2)Br)Cl)CC1NCCCC1O"	"LVASCWIMLIKXLA-UHFFFAOYSA-N"	"InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2"	""	"yes"	""
"86"	"haloperidol"	""	"Synthetic organic"	"yes"	""	""	""	"135650345"	"3559"	""	""	"CHEMBL54"	""	""	""	""	"4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one"	"haloperidol"	"Haldol&reg;|MCN-JR-1625|R-1625|Serenace&reg;"	"Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl"	"LNEPOXFFQSENCJ-UHFFFAOYSA-N"	"InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2"	""	""	""
"2401"	"halothane"	""	"Synthetic organic"	"yes"	""	""	""	"135650346"	"3562"	""	""	"CHEMBL931"	""	""	""	""	"2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE"	"halothane"	"Fluothane&reg;"	"ClC(C(F)(F)F)Br"	"BCQZXOMGPXTTIC-UHFFFAOYSA-N"	"InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H"	""	""	""
"6197"	"HAMI3379"	""	"Synthetic organic"	""	""	""	""	"178102818"	"10438479"	""	""	""	""	""	""	""	"3-[(3-carboxycyclohexyl)carbamoyl]-4-[3-[4-(4-cyclohexyloxybutoxy)phenyl]propoxy]benzoic acid"	""	""	"OC(=O)C1CCCC(C1)NC(=O)c1cc(ccc1OCCCc1ccc(cc1)OCCCCOC1CCCCC1)C(=O)O"	"HRJWSEPIRZRGCL-UHFFFAOYSA-N"	"InChI=1S/C34H45NO8/c36-32(35-27-10-6-9-25(22-27)33(37)38)30-23-26(34(39)40)15-18-31(30)43-21-7-8-24-13-16-29(17-14-24)42-20-5-4-19-41-28-11-2-1-3-12-28/h13-18,23,25,27-28H,1-12,19-22H2,(H,35,36)(H,37,38)(H,39,40)"	""	""	""
"13140"	"harmaline"	""	"Natural product"	""	""	""	""	"491299922"	"3564"	""	""	"CHEMBL340807"	""	""	""	""	"7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole"	""	""	"CC1=NCCC2=C1NC3=C2C=CC(=C3)OC"	"RERZNCLIYCABFS-UHFFFAOYSA-N"	"InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3"	""	""	""
"9352"	"harmine"	""	"Natural product"	""	""	""	""	"328083454"	"5280953"	""	""	""	""	""	""	""	"7-Methoxy-1-methyl-9H-pyrido[3,4-b]indole"	""	""	"COc1ccc2c(c1)[nH]c1c2ccnc1C"	"BXNJHAXVSOCGBA-UHFFFAOYSA-N"	"InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3"	"yes"	""	""
"7925"	"HAS-NMU"	""	"Peptide"	""	""	""	""	"249565608"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7762"	"HaTx1"	""	"Peptide"	""	""	""	""	"223366095"	"0"	"P56852"	""	""	""	""	""	""	""	""	"&kappa;-theraphotoxin-Gr1a|&kappa;-TRTX-Gr1a|hanatoxin-1"	""	""	""	""	""	""
"4948"	"HB-EGF"	"Human"	"Peptide"	""	""	""	""	"178101646"	"0"	"Q99075"	"ENSG00000113070"	""	""	""	""	""	""	""	"DT-R"	""	""	""	""	""	""
"14178"	"HBI-2375"	""	"Synthetic organic"	""	""	""	""	"518520805"	"168679388"	""	""	""	""	""	""	""	"5-amino-2-chloro-4-fluoro-N-[4-fluoro-5-[4-(4-methylpiperazine-1-carbonyl)triazol-1-yl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-3-methylbenzamide"	""	"formula IIIb [WO2023177592]|HBI2375|HYBI-084"	"C[C@H]1CN(C[C@@H](C)N1C)C2=CC(F)=C(C=C2NC(=O)C3=C(Cl)C(C)=C(F)C(N)=C3)N4C=C(N=N4)C(=O)N5CCN(C)CC5"	"ZAAAXOTWIKLEGP-CALCHBBNSA-N"	"InChI=1S/C29H36ClF2N9O2/c1-16-13-40(14-17(2)38(16)5)25-11-20(31)24(41-15-23(35-36-41)29(43)39-8-6-37(4)7-9-39)12-22(25)34-28(42)19-10-21(33)27(32)18(3)26(19)30/h10-12,15-17H,6-9,13-14,33H2,1-5H3,(H,34,42)/t16-,17+"	""	""	""
"4211"	"HC030031"	""	"Synthetic organic"	""	""	""	""	"178101028"	"1150897"	""	""	"CHEMBL1086310"	""	""	""	""	"2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-[4-(propan-2-yl)phenyl]acetamide"	""	"HC-030031"	"O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(cc1)C(C)C"	"HEQDZPHDVAOBLN-UHFFFAOYSA-N"	"InChI=1S/C18H21N5O3/c1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3/h5-8,10-11H,9H2,1-4H3,(H,20,24)"	""	""	""
"4212"	"HC-056456"	""	"Synthetic organic"	""	""	""	""	"178101029"	"573747"	""	""	"CHEMBL570345"	""	""	""	""	"bis[(thiophen-2-yl)carbonyl]-1,2,5-oxadiazol-2-ium-2-olate"	""	"HC056456"	"[O-][n+]1onc(c1C(=O)c1cccs1)C(=O)c1cccs1"	"RUQGCDMXFBOTMW-UHFFFAOYSA-N"	"InChI=1S/C12H6N2O4S2/c15-11(7-3-1-5-19-7)9-10(14(17)18-13-9)12(16)8-4-2-6-20-8/h1-6H"	""	""	""
"4213"	"HC067047"	""	"Synthetic organic"	""	""	""	""	"178101030"	"2742550"	""	""	"CHEMBL2133556"	""	""	""	""	"2-methyl-1-[3-(morpholin-4-yl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide"	""	"HC 067047"	"O=C(c1cc(n(c1C)CCCN1CCOCC1)c1ccccc1)Nc1cccc(c1)C(F)(F)F"	"NCZYSQOTAYFTNM-UHFFFAOYSA-N"	"InChI=1S/C26H28F3N3O2/c1-19-23(25(33)30-22-10-5-9-21(17-22)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,33)"	""	""	""
"10286"	"HC-070"	""	"Synthetic organic"	""	""	""	""	"381744967"	"85473309"	""	""	""	""	""	""	""	"8-(3-chlorophenoxy)-7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione"	""	""	"OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1cccc(c1)Cl"	"VYJPVPHNGWEIBT-UHFFFAOYSA-N"	"InChI=1S/C22H20Cl2N4O4/c1-26-19-18(20(30)27(22(26)31)10-3-11-29)28(13-14-6-8-15(23)9-7-14)21(25-19)32-17-5-2-4-16(24)12-17/h2,4-9,12,29H,3,10-11,13H2,1H3"	""	""	""
"13275"	"HC-5404"	""	"Synthetic organic"	""	""	""	""	"491300057"	"142459303"	""	""	"CHEMBL4862478"	""	""	""	""	"2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide"	""	"compound 4 [PMID: 33895276]|HC-5404-FU"	"CC1=C(C=CC(=C1)NC(=O)[C@@H](C2=CC(=CC(=C2)F)F)O)C3=CC(=C(N=C3)N)C(=O)NC(C)C"	"BRIWRAFDHZTJPE-OAQYLSRUSA-N"	"InChI=1S/C24H24F2N4O3/c1-12(2)29-23(32)20-9-15(11-28-22(20)27)19-5-4-18(6-13(19)3)30-24(33)21(31)14-7-16(25)10-17(26)8-14/h4-12,21,31H,1-3H3,(H2,27,28)(H,29,32)(H,30,33)/t21-/m1/s1"	""	""	""
"13340"	"HC-7366"	""	"Synthetic organic"	""	""	""	""	"496703310"	"164593978"	""	""	""	""	""	""	""	"6-[3-[(5-chloro-2-methoxypyridin-3-yl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide"	""	"compound 29 [PMID: 38530741]|HC7366"	"CNC(=O)C1=C2C=NC(=CN2C=N1)C3=C(C=CC(=C3F)NS(=O)(=O)C4=C(N=CC(=C4)Cl)OC)F"	"KIGXQRBUVDDSPP-UHFFFAOYSA-N"	"InChI=1S/C20H15ClF2N6O4S/c1-24-19(30)18-14-7-25-13(8-29(14)9-27-18)16-11(22)3-4-12(17(16)23)28-34(31,32)15-5-10(21)6-26-20(15)33-2/h3-9,28H,1-2H3,(H,24,30)"	""	""	""
"2079"	"H-c[Cys-Phe-LAgl(N<sup>&beta;</sup>Me,benzoyl)-DTrp-Lys-Thr-Phe-Cys]-OH"	""	"Peptide"	""	""	""	""	"135652177"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2080"	"H-c[Cys-Phe-LAgl(N<sup>&beta;</sup>Me,benzoyl)-Trp-Lys-Thr-Phe-Cys]-OH"	""	"Peptide"	""	""	""	""	"135652178"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2081"	"H-c[DCys-Phe-LAgl(N<sup>&beta;</sup>Me,benzoyl)-DTrp-Lys-Thr-Phe-Cys]-OH"	""	"Peptide"	""	""	""	""	"135652179"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1160"	"hCG"	"Human"	"Peptide"	""	""	""	""	"135651787"	"0"	""	"ENSG00000135346|ENSG00000104827"	""	"4396|3731"	"chorionic gonadotropin beta subunit|glycoprotein hormone common alpha subunit"	"P01233|P01215"	"ENSG00000104827|ENSG00000135346"	""	""	"CG|human chorionic gonadotropin"	""	""	""	""	""	""
"2479"	"HCl"	""	"Inorganic"	""	""	""	""	"53800991"	"313"	""	""	""	""	""	""	""	""	""	"hydrogen chloride"	""	""	""	""	""	""
"14555"	"HDAC6 PROTAC 15"	""	"Synthetic organic"	""	""	""	""	"528429876"	"178342685"	""	""	""	""	""	""	""	"(3S)-3-(4-((2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)ethynyl)phenyl)-N-hydroxy-4-(tetrahydro-2H-pyran-4-carbonyl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-8-carboxamide"	""	""	"C=12OC[C@H](C=3C=CC(C#CC=4C=C5CN(C6CCC(=O)NC6=O)C(=O)C5=CC4)=CC3)N(C(=O)C7CCOCC7)CC1C=CC(C(=O)NO)=C2"	"JZTVCMCHGOYQFQ-NLIBRCFJSA-N"	"InChI=1S/C37H34N4O8/c42-33-12-11-30(35(44)38-33)40-20-28-17-23(5-10-29(28)37(40)46)2-1-22-3-6-24(7-4-22)31-21-49-32-18-26(34(43)39-47)8-9-27(32)19-41(31)36(45)25-13-15-48-16-14-25/h3-10,17-18,25,30-31,47H,11-16,19-21H2,(H,39,43)(H,38,42,44)/t30?,31-/m1/s1"	""	""	""
"482"	"HEAT (BE2254)"	""	"Synthetic organic"	""	""	"yes"	"yes"	"135651109"	"73754995"	""	""	""	""	""	""	""	"2-[[2-(4-hydroxy-2-iodophenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one"	""	"[125I] BE2254|[125I] HEAT|[<sup>125</sup>I]-HEAT|[<sup>125</sup>I]BE2254"	"Oc1ccc(c(c1)[125I])CCNCC1CCc2c(C1=O)cccc2"	"MIQRUWUVLIWVAW-STTHPYEQSA-N"	"InChI=1S/C19H20INO2/c20-18-11-16(22)8-7-14(18)9-10-21-12-15-6-5-13-3-1-2-4-17(13)19(15)23/h1-4,7-8,11,15,21-22H,5-6,9-10,12H2/i20-2"	""	""	""
"10958"	"hedamycin"	""	"Natural product"	""	""	""	""	"405560399"	"98033"	""	""	"CHEMBL1979887"	""	""	""	""	"10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione"	""	"antibiotic B 26,158|B26158|NSC-70929"	"CN(C1CC(OC(C1O)C)c1cc(C2OC(C)C(C(C2)(C)N(C)C)O)c(c2c1C(=O)c1cc(C)c3c(c1C2=O)oc(cc3=O)C1(C)OC1C1OC1C)O)C"	"RZOFHOWMWMTHDX-UHFFFAOYSA-N"	"InChI=1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3"	""	""	"yes"
"7737"	"HelaTx1"	""	"Peptide"	""	""	""	""	"223366070"	"0"	"P0DJ41"	""	""	""	""	""	""	""	""	"HL15-1-1|potassium channel toxin kappa-KTx 5.1"	""	""	""	""	""	""
"2280"	"helodermin"	""	"Peptide"	""	""	""	""	"135652180"	"16132369"	"P04204"	""	""	""	""	""	""	""	""	"Exendin 2"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N)CO)[C@H](O)C)CCCNC(=N)N)CO)CC(C)C)[C@H](CC)C)CO)C)CC(C)C)Cc1ccc(cc1)O)CCCCN)CCC(=O)N)CC(C)C)C)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1[nH]cnc1)N)CO)CC(=O)O)C)Cc1ccccc1)CCC(=O)N)CCC(=O)N)Cc1ccc(cc1)O)CO)CCCCN)CC(C)C)CC(C)C)C"	"SSAAJZQUEUTACT-MDBKHZGBSA-N"	"InChI=1S/C176H285N47O49/c1-23-93(15)138(217-146(243)98(20)194-159(256)124(78-137(237)238)210-167(264)126(82-225)214-147(244)107(180)77-104-79-187-86-190-104)169(266)212-123(74-101-38-26-25-27-39-101)164(261)220-140(99(21)229)171(268)202-114(57-60-135(183)235)153(250)200-113(56-59-134(182)234)154(251)209-122(76-103-49-53-106(232)54-50-103)163(260)215-127(83-226)166(263)198-110(42-30-33-63-179)150(247)205-120(73-92(13)14)161(258)206-117(70-89(7)8)157(254)191-95(17)143(240)196-108(40-28-31-61-177)149(246)204-116(69-88(5)6)156(253)192-96(18)144(241)203-119(72-91(11)12)160(257)201-112(55-58-133(181)233)152(249)197-109(41-29-32-62-178)151(248)208-121(75-102-47-51-105(231)52-48-102)162(259)207-118(71-90(9)10)158(255)193-97(19)145(242)213-128(84-227)168(265)218-139(94(16)24-2)170(267)211-115(68-87(3)4)148(245)189-80-136(236)195-125(81-224)165(262)199-111(43-34-64-188-176(185)186)155(252)219-141(100(22)230)172(269)216-129(85-228)173(270)222-66-36-45-131(222)175(272)223-67-37-46-132(223)174(271)221-65-35-44-130(221)142(184)239/h25-27,38-39,47-54,79,86-100,107-132,138-141,224-232H,23-24,28-37,40-46,55-78,80-85,177-180H2,1-22H3,(H2,181,233)(H2,182,234)(H2,183,235)(H2,184,239)(H,187,190)(H,189,245)(H,191,254)(H,192,253)(H,193,255)(H,194,256)(H,195,236)(H,196,240)(H,197,249)(H,198,263)(H,199,262)(H,200,250)(H,201,257)(H,202,268)(H,203,241)(H,204,246)(H,205,247)(H,206,258)(H,207,259)(H,208,248)(H,209,251)(H,210,264)(H,211,267)(H,212,266)(H,213,242)(H,214,244)(H,215,260)(H,216,269)(H,217,243)(H,218,265)(H,219,252)(H,220,261)(H,237,238)(H4,185,186,188)/t93-,94-,95-,96-,97-,98-,99+,100+,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,138-,139-,140-,141-/m0/s1"	""	""	""
"12329"	"helvolic acid"	""	"Natural product"	""	""	""	""	"479821120"	"3002143"	""	""	"CHEMBL505132"	""	""	""	""	"(2Z)-2-[(4S,5S,6S,8S,9S,10R,13R,14S,16S)-6,16-diacetyloxy-4,8,10,14-tetramethyl-3,7-dioxo-5,6,9,11,12,13,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid"	""	"fumigacin"	"C[C@H]1[C@@H]2[C@@H](C(=O)[C@]3([C@H]([C@]2(C=CC1=O)C)CC[C@@H]1[C@@]3(C[C@@H](/C/1=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)C)OC(=O)C"	"MDFZYGLOIJNNRM-OAJDADRGSA-N"	"InChI=1S/C33H44O8/c1-17(2)10-9-11-21(30(38)39)26-22-12-13-25-31(6)15-14-23(36)18(3)27(31)28(41-20(5)35)29(37)33(25,8)32(22,7)16-24(26)40-19(4)34/h10,14-15,18,22,24-25,27-28H,9,11-13,16H2,1-8H3,(H,38,39)/b26-21-/t18-,22+,24+,25+,27-,28+,31-,32+,33-/m1/s1"	""	""	"yes"
"5599"	"HEMADO"	""	"Synthetic organic"	""	""	""	""	"178102234"	"10981286"	""	""	"CHEMBL260563"	""	""	""	""	"(2R,3R,4S,5R)-2-(2-hex-1-ynyl-6-methylaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol"	""	""	"CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO"	"KOCIMZNSNPOGOP-IWCJZZDYSA-N"	"InChI=1S/C17H23N5O4/c1-3-4-5-6-7-11-20-15(18-2)12-16(21-11)22(9-19-12)17-14(25)13(24)10(8-23)26-17/h9-10,13-14,17,23-25H,3-5,8H2,1-2H3,(H,18,20,21)/t10-,13-,14-,17-/m1/s1"	""	""	""
"13599"	"hematoxylin"	""	"Natural product"	""	""	""	""	"504705418"	"442514"	""	""	"CHEMBL477197"	""	""	""	""	"(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol"	""	"(+)-haematoxylin|haematoxylin|hydroxybrasilin|hydroxybrazilin"	"C1C2=CC(=C(C=C2[C@H]3[C@@]1(COC4=C3C=CC(=C4O)O)O)O)O"	"WZUVPPKBWHMQCE-XJKSGUPXSA-N"	"InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/m0/s1"	""	""	""
"4349"	"heme"	""	"Metabolite"	""	""	""	""	"178101166"	"26945"	""	""	""	""	""	""	""	"3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+)"	""	"ferroheme|haem"	"C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)CCC(=O)O)C=C1N=C(C=c3[n-]c(=C2)c(C=C)c3C)C(=C1CCC(=O)O)C.[Fe+2]"	"KABFMIBPWCXCRK-UHFFFAOYSA-L"	"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2"	""	""	""
"4494"	"hemicholinium-3"	""	"Synthetic organic"	""	""	""	""	"178101222"	"3585"	""	""	"CHEMBL268697"	""	""	""	""	"2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol"	""	"HC-3"	"OC1(OCC[N+](C1)(C)C)c1ccc(cc1)c1ccc(cc1)C1(O)OCC[N+](C1)(C)C"	"JIWUESGGKYLPPG-UHFFFAOYSA-N"	"InChI=1S/C24H34N2O4/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24/h5-12,27-28H,13-18H2,1-4H3/q+2"	""	""	""
"5502"	"hemicholinium mustard"	""	"Synthetic organic"	""	""	""	""	"178102148"	"196143"	""	""	"CHEMBL10936"	""	""	""	""	"4-(2-bromoethyl)-2-(4-{4-[4-(2-bromoethyl)-2-hydroxymorpholin-2-yl]phenyl}phenyl)morpholin-2-ol"	""	"HCM"	"BrCCN1CCOC(C1)(O)c1ccc(cc1)c1ccc(cc1)C1(O)OCCN(C1)CCBr"	"DEHLWSSPVQFNBM-UHFFFAOYSA-N"	"InChI=1S/C24H30Br2N2O4/c25-9-11-27-13-15-31-23(29,17-27)21-5-1-19(2-6-21)20-3-7-22(8-4-20)24(30)18-28(12-10-26)14-16-32-24/h1-8,29-30H,9-18H2"	""	""	""
"2087"	"hemokinin 1"	"Mouse"	"Peptide"	""	""	""	""	"135651788"	"0"	"Q99N14"	"ENSMUSG00000020872"	""	""	""	""	""	""	""	"HEK-1|HK-1"	""	""	""	""	""	""
"13762"	"henagliflozin"	""	"Synthetic organic"	"yes"	""	""	""	"507750395"	"56832738"	""	""	"CHEMBL4297431"	""	""	""	""	"(1R,2S,3S,4R,5R)-5-[4-chloro-3-[(4-ethoxy-3-fluorophenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol"	""	"SHR-3824|SHR3824"	"CCOC1=C(C=C(C=C1)CC2=C(C=CC(=C2)[C@]34[C@@H]([C@H]([C@@H]([C@](O3)(CO4)CO)O)O)O)Cl)F"	"HYTPDMFFHVZBOR-VNXMGFANSA-N"	"InChI=1S/C22H24ClFO7/c1-2-29-17-6-3-12(8-16(17)24)7-13-9-14(4-5-15(13)23)22-20(28)18(26)19(27)21(10-25,31-22)11-30-22/h3-6,8-9,18-20,25-28H,2,7,10-11H2,1H3/t18-,19-,20+,21+,22+/m0/s1"	""	""	""
"9930"	"henatinib"	""	"Synthetic organic"	""	""	""	""	"363894224"	"25116064"	""	""	"CHEMBL1277072"	""	""	""	""	"2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one"	""	"compound 25 [PMID: 21028894]"	"O[C@@H](CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1\C(=O)Nc2c1cc(F)cc2)CN1CCOCC1"	"MCTXSDCWFQAGFS-UEXNTNOUSA-N"	"InChI=1S/C25H29FN4O4/c1-15-22(12-19-18-11-16(26)4-5-20(18)28-24(19)32)27-21-3-2-6-30(25(33)23(15)21)14-17(31)13-29-7-9-34-10-8-29/h4-5,11-12,17,27,31H,2-3,6-10,13-14H2,1H3,(H,28,32)/b19-12-/t17-/m1/s1"	""	""	""
"14478"	"HEP-50768"	""	"Synthetic organic"	""	""	""	""	"528429799"	"178269821"	""	""	""	""	""	""	""	"5-{2-fluoro-3-[(2S)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]phenyl}-1H-1,2,3,4-tetrazole"	""	"compound 6 [PMID: 41957282]|HEP50768"	"FC1=C(C=CC=C1[C@@H]2CC3=C(O2)C=CC(=C3)C(F)(F)F)C4=NN=NN4"	"DNYWMBQGFDLRHS-ZDUSSCGKSA-N"	"InChI=1S/C16H10F4N4O/c17-14-10(2-1-3-11(14)15-21-23-24-22-15)13-7-8-6-9(16(18,19)20)4-5-12(8)25-13/h1-6,13H,7H2,(H,21,22,23,24)/t13-/m0/s1"	""	""	""
"4214"	"heparin"	""	"Metabolite"	"yes"	""	""	""	"178101031"	"22833565"	""	""	"CHEMBL526514"	""	""	""	""	"(2S,3S,4R,5R,6R)-6-{[(2S,3S,4S,5R,6S)-6-{[(2R,3S,4S,5R)-2-carboxy-4,6-dihydroxy-5-(sulfooxy)oxan-3-yl]oxy}-2-hydroxy-4-(sulfomethyl)-5-(sulfooxy)oxan-3-yl]oxy}-3-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-[(sulfooxy)methyl]oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid"	"heparin sodium"	"HepFlush&reg;"	"CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]2[C@@H](O)O[C@@H]([C@@H]([C@H]2CS(=O)(=O)O)OS(=O)(=O)O)O[C@@H]2[C@@H](OC([C@@H]([C@H]2O)OS(=O)(=O)O)O)C(=O)O)C(=O)O)O[C@@H]([C@H]([C@@H]1O)O)COS(=O)(=O)O"	"ZFGMDIBRIDKWMY-PASTXAENSA-N"	"InChI=1S/C26H41NO34S4/c1-4(28)27-7-9(30)8(29)6(2-52-63(43,44)45)53-24(7)56-15-10(31)11(32)25(58-19(15)21(36)37)55-13-5(3-62(40,41)42)14(60-64(46,47)48)26(59-22(13)38)57-16-12(33)17(61-65(49,50)51)23(39)54-18(16)20(34)35/h5-19,22-26,29-33,38-39H,2-3H2,1H3,(H,27,28)(H,34,35)(H,36,37)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t5-,6+,7+,8+,9+,10+,11+,12-,13-,14+,15-,16-,17+,18+,19-,22-,23?,24+,25+,26-/m0/s1"	""	""	""
"4949"	"hepatocyte growth factor"	"Human"	"Peptide"	""	""	""	""	"178101647"	"0"	"P14210"	"ENSG00000019991"	""	"4950|4951"	"hepatocyte growth factor alpha chain|hepatocyte growth factor beta chain"	"P14210|P14210"	"ENSG00000019991|ENSG00000019991"	""	""	"hepapoietin A|HGF|scatter factor (SF)"	""	""	""	""	""	""
"4950"	"hepatocyte growth factor alpha chain"	"Human"	"Peptide"	""	""	""	""	"178101648"	"0"	"P14210"	"ENSG00000019991"	""	""	""	""	""	""	""	"HGF alpha chain"	""	""	""	""	""	""
"4951"	"hepatocyte growth factor beta chain"	"Human"	"Peptide"	""	""	""	""	"178101649"	"0"	"P14210"	"ENSG00000019991"	""	""	""	""	""	""	""	"HGF beta chain"	""	""	""	""	""	""
"5379"	"hepcidin-20"	"Human"	"Peptide"	""	""	""	""	"178102038"	"0"	"P81172"	"ENSG00000105697"	""	""	""	""	""	""	""	"Hepc20"	""	""	""	""	""	""
"5378"	"hepcidin-25"	"Human"	"Peptide"	""	""	""	""	"178102037"	"0"	"P81172"	"ENSG00000105697"	""	""	""	""	""	""	""	"Hepc25"	""	""	""	""	""	""
"6305"	"hepoxilin A3"	""	"Metabolite"	""	""	""	""	"178102924"	"52921899"	""	""	""	""	""	""	""	"(5Z,9E)-8-hydroxy-10-[(3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,9-dienoic acid"	""	"HXA3"	"CCCCC/C=C\C[C@@H]1OC1/C=C/C(C/C=C\CCCC(=O)O)O"	"SGTUOBURCVMACZ-UIKNIFMXSA-N"	"InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-,19?/m0/s1"	""	""	""
"13049"	"HER-096"	""	"Peptide"	""	""	""	""	"491299831"	"171037434"	""	""	""	""	""	""	""	"(2R)-2-[(2R)-2-{[(4S,7R,10R,13S)-7-(3-carbamimidamidopropyl)-13-[(2R)-2-[(2R)-4-carboxy-2-[(2R)-2,6-diaminohexanamido]butanamido]propanamido]-10-methyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecan-4-yl]formamido}-4-carboxybutanamido]pentanedioic acid"	""	"HER096"	"C[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](N)CCCCN)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](C)NC1=O)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CCC(O)=O)C(O)=O"	"KVRXOEFNFNMLGK-KNHZGYGBSA-N"	"InChI=1S/C39H65N13O16S2/c1-18-30(59)47-21(7-5-15-44-39(42)43)34(63)52-26(37(66)49-23(9-12-28(55)56)35(64)50-24(38(67)68)10-13-29(57)58)17-70-69-16-25(36(65)46-18)51-31(60)19(2)45-33(62)22(8-11-27(53)54)48-32(61)20(41)6-3-4-14-40/h18-26H,3-17,40-41H2,1-2H3,(H,45,62)(H,46,65)(H,47,59)(H,48,61)(H,49,66)(H,50,64)(H,51,60)(H,52,63)(H,53,54)(H,55,56)(H,57,58)(H,67,68)(H4,42,43,44)/t18-,19-,20-,21-,22-,23-,24-,25-,26-/m1/s1"	""	""	""
"5984"	"herbimycin A"	""	"Natural product"	""	""	""	""	"178102607"	"16760502"	""	""	""	""	""	""	""	"(9S,12S,14S,16S,17R)-8,13,14,17-tetramethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate"	""	""	"COC1[C@@H](C)/C=C(\C)/[C@H](OC(=O)N)C(OC)/C=C\C=C(\C(=O)NC2=CC(=O)C=C([C@@H]([C@H](C[C@@H]1OC)C)OC)C2=O)/C"	"MCAHMSDENAOJFZ-NDSMKMDISA-N"	"InChI=1S/C30H42N2O9/c1-16-10-9-11-23(37-5)28(41-30(31)36)18(3)12-17(2)27(40-8)24(38-6)13-19(4)26(39-7)21-14-20(33)15-22(25(21)34)32-29(16)35/h9-12,14-15,17,19,23-24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b11-9-,16-10+,18-12+/t17-,19-,23?,24-,26+,27?,28-/m0/s1"	""	""	""
"8354"	"hesperadin"	""	"Synthetic organic"	""	""	""	""	"252166566"	"135421442"	""	""	"CHEMBL514409"	""	""	""	""	"N-[(3Z)-2-oxo-3-[phenyl-[[4-(piperidin-1-ylmethyl)phenyl]amino]methylidene]-1H-indol-5-yl]ethanesulfonamide"	""	""	"CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(\c1ccccc1)/Nc1ccc(cc1)CN1CCCCC1)/C(=O)N2"	"GLDSKRNGVVYJAB-DQSJHHFOSA-N"	"InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,30,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b28-27-"	""	""	""
"10953"	"hesperetin"	""	"Natural product"	""	""	""	""	"405560394"	"72281"	""	""	"CHEMBL399121"	""	""	""	""	"(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one"	""	"3',5,7-Trihydroxy-4'-methoxyflavanone|NP-13|NSC-57654"	"COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O"	"AIONOLUJZLIMTK-AWEZNQCLSA-N"	"InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1"	""	""	"yes"
"11373"	"HET0016"	""	"Synthetic organic"	""	""	""	""	"440816742"	"2727594"	""	""	"CHEMBL267865"	""	""	""	""	"N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide"	""	"HET-0016"	"CCCCc1ccc(c(c1)C)N=CNO"	"LYNOGBKNFIHKLE-UHFFFAOYSA-N"	"InChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)"	""	""	""
"12263"	"hetacillin"	""	"Synthetic organic"	"yes"	"yes"	""	""	"473153851"	"443387"	""	""	"CHEMBL1201116"	""	""	""	""	"(2S,5R,6R)-6-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"hetacillin"	""	"CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N1C(=O)[C@H](NC1(C)C)c1ccccc1)C(=O)O)C"	"DXVUYOAEDJXBPY-NFFDBFGFSA-N"	"InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11-,12-,13+,16-/m1/s1"	""	""	"yes"
"2581"	"heteropodatoxin-2"	""	"Peptide"	""	""	""	""	"135652181"	"0"	"P58426"	""	""	""	""	""	""	""	""	"&kappa;-sparatoxin-Hv1b|&kappa;-SPRTX-Hv1b|HpTX2|HpTx<sub>2</sub>|Toxin KJ6"	""	""	""	""	""	""
"10657"	"hetrombopag"	""	"Synthetic organic"	"yes"	""	""	""	"404859104"	"135565610"	""	""	""	""	""	""	""	"5-[2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]furan-2-carboxylic acid"	""	"Hengqu&reg;|SHR-8735"	"Oc1c(cccc1c1ccc(o1)C(=O)O)N=Nc1c(C)[nH]n(c1=O)c1ccc2c(c1)CCCC2"	"YATJUTCKRWETAB-UHFFFAOYSA-N"	"InChI=1S/C25H22N4O5/c1-14-22(24(31)29(28-14)17-10-9-15-5-2-3-6-16(15)13-17)27-26-19-8-4-7-18(23(19)30)20-11-12-21(34-20)25(32)33/h4,7-13,28,30H,2-3,5-6H2,1H3,(H,32,33)"	""	""	""
"11069"	"hexachlorophene"	""	"Synthetic organic"	"yes"	"yes"	""	""	"405560510"	"3598"	""	""	"CHEMBL496"	""	""	""	""	"3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol"	"hexachlorophene"	"Inh 1 [PMID: 32284327]|Nabac&reg;"	"Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl"	"ACGUYXCXAPNIKK-UHFFFAOYSA-N"	"InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2"	""	""	"yes"
"6627"	"hexadecanal"	""	"Synthetic organic"	""	""	""	""	"178103240"	"984"	""	""	"CHEMBL1235338"	""	""	""	""	"hexadecanal"	""	"palmitaldehyde"	"CCCCCCCCCCCCCCCC=O"	"NIOYUNMRJMEDGI-UHFFFAOYSA-N"	"InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3"	""	""	""
"322"	"hexahydrodifenidol"	""	"Synthetic organic"	""	""	""	""	"135650347"	"124226"	""	""	""	""	""	""	""	"1-cyclohexyl-1-phenyl-4-piperidin-1-ylbutan-1-ol"	""	""	"OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1"	"ILHSFCNKNNNPRN-UHFFFAOYSA-N"	"InChI=1S/C21H33NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-10,13-18H2"	""	""	""
"310"	"hexahydrosiladifenidol"	""	"Synthetic organic"	""	""	""	""	"135652751"	"3602"	""	""	""	""	""	""	""	"cyclohexyl-hydroxy-phenyl-(3-piperidin-1-ylpropyl)silane"	""	"GNF-Pf-5565|hexahydro-sila-diphenidol|Hhsi-difenidol|HHSiD"	"O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1"	"QTBCATBNRIYMPB-UHFFFAOYSA-N"	"InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2"	""	""	""
"3963"	"hexamethonium"	""	"Synthetic organic"	""	""	""	""	"178100789"	"3604"	""	""	"CHEMBL100622"	""	""	""	""	"trimethyl[6-(trimethylazaniumyl)hexyl]azanium"	"hexamethonium bromide"	""	"C[N+](CCCCCC[N+](C)(C)C)(C)C"	"VZJFGSRCJCXDSG-UHFFFAOYSA-N"	"InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2"	""	""	""
"2823"	"hexestrol"	""	"Synthetic organic"	""	""	""	""	"135650348"	"3606"	""	""	"CHEMBL6615"	""	""	""	""	"4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol"	"hexestrol"	""	"CCC(C(c1ccc(cc1)O)CC)c1ccc(cc1)O"	"PBBGSZCBWVPOOL-UHFFFAOYSA-N"	"InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3"	""	""	""
"323"	"hexocyclium"	""	"Synthetic organic"	""	""	""	""	"135650349"	"24199"	""	""	"CHEMBL1201325"	""	""	""	""	"1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol"	"hexocyclium metilsulfate"	""	"C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O"	"ZRYHPQCHHOKSMD-UHFFFAOYSA-N"	"InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1"	""	""	""
"7196"	"hexylcaine"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103771"	"10770"	""	""	"CHEMBL1197"	""	""	""	""	"1-(cyclohexylamino)propan-2-yl benzoate"	"hexylcaine"	"Cyclaine&reg;"	"CC(OC(=O)c1ccccc1)CNC1CCCCC1"	"DKLKMKYDWHYZTD-UHFFFAOYSA-N"	"InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3"	""	""	""
"9392"	"HG-10-102-01"	""	"Synthetic organic"	""	""	""	""	"328083494"	"58539301"	""	""	"CHEMBL2170016"	""	""	""	""	""	""	"compound 15 [PMID: 22591441]"	"COc1cc(ccc1Nc1ncc(c(n1)NC)Cl)C(=O)N1CCOCC1"	"YEVOZZZLKJKCCD-UHFFFAOYSA-N"	"InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)"	""	""	""
"13931"	"HG106"	""	"Synthetic organic"	""	""	""	""	"513757616"	"16495618"	""	""	""	""	""	""	""	"2-chloro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide"	""	"HG-106"	"O=C(NC1=CC2=NN(C3=CC=C(OC)C=C3)N=C2C=C1)CCl"	"YKONCCSKKBLMDS-UHFFFAOYSA-N"	"InChI=1S/C15H13ClN4O2/c1-22-12-5-3-11(4-6-12)20-18-13-7-2-10(8-14(13)19-20)17-15(21)9-16/h2-8H,9H2,1H3,(H,17,21)"	""	""	""
"8049"	"HG-9-91-01"	""	"Synthetic organic"	""	""	""	""	"249565729"	"78357808"	""	""	""	""	""	""	""	"1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea"	""	"HY-15776"	"COc1cc(OC)ccc1N(C(=O)Nc1c(C)cccc1C)c1ncnc(c1)Nc1ccc(cc1)N1CCN(CC1)C"	"UYUHRKLITDJEHB-UHFFFAOYSA-N"	"InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35)"	"yes"	""	""
"1148"	"hGCGR antagonist"	""	"Synthetic organic"	""	""	""	""	"135650674"	"619101"	""	""	"CHEMBL179281"	""	""	""	""	"N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide"	""	"acylated aminothiophene nitrile|glucagon receptor antagonist I"	"CCC(C(=O)Nc1sc2c(c1C#N)CCC(C2)C(CC)(C)C)CC"	"SWIBDWBSJSJQHL-UHFFFAOYSA-N"	"InChI=1S/C20H30N2OS/c1-6-13(7-2)18(23)22-19-16(12-21)15-10-9-14(11-17(15)24-19)20(4,5)8-3/h13-14H,6-11H2,1-5H3,(H,22,23)"	""	""	""
"5315"	"HGF-inhibitor 1"	"Human"	"Peptide"	""	""	""	""	"53801021"	"0"	"O43278"	"ENSG00000166145"	""	""	""	""	""	""	""	"HAI-1|hepatocyte growth factor activator inhibitor type 1|Kunitz-type protease inhibitor 1"	""	""	""	""	""	""
"11804"	"hGLP-2(1-33,M10Y)"	""	"Peptide"	""	""	""	""	"458923839"	"162366975"	""	""	""	""	""	""	""	""	""	""	"NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O"	"BONVCUWVEHTDCR-NTNVLEAHSA-N"	"InChI=1S/C169H254N44O56/c1-21-79(11)130(161(261)190-100(48-50-119(172)220)145(245)211-134(86(18)216)165(265)189-98(42-33-34-52-170)144(244)207-133(82(14)24-4)164(264)213-135(87(19)217)166(266)205-116(168(268)269)69-129(235)236)208-156(256)104(56-78(9)10)193-150(250)108(60-92-70-180-97-41-32-31-40-95(92)97)197-152(252)110(63-121(174)222)204-162(262)131(80(12)22-2)209-157(257)107(58-90-38-29-26-30-39-90)195-154(254)114(67-127(231)232)200-142(242)99(43-35-53-179-169(176)177)187-138(238)84(16)183-137(237)83(15)185-146(246)102(54-76(5)6)192-151(251)109(62-120(173)221)198-155(255)115(68-128(233)234)201-147(247)103(55-77(7)8)203-163(263)132(81(13)23-3)210-167(267)136(88(20)218)212-158(258)111(64-122(175)223)199-148(248)106(59-91-44-46-94(219)47-45-91)194-143(243)101(49-51-124(225)226)188-153(253)113(66-126(229)230)202-160(260)118(74-215)206-149(249)105(57-89-36-27-25-28-37-89)196-159(259)117(73-214)186-123(224)72-181-141(241)112(65-125(227)228)191-139(239)85(17)184-140(240)96(171)61-93-71-178-75-182-93/h25-32,36-41,44-47,70-71,75-88,96,98-118,130-136,180,214-219H,21-24,33-35,42-43,48-69,72-74,170-171H2,1-20H3,(H2,172,220)(H2,173,221)(H2,174,222)(H2,175,223)(H,178,182)(H,181,241)(H,183,237)(H,184,240)(H,185,246)(H,186,224)(H,187,238)(H,188,253)(H,189,265)(H,190,261)(H,191,239)(H,192,251)(H,193,250)(H,194,243)(H,195,254)(H,196,259)(H,197,252)(H,198,255)(H,199,248)(H,200,242)(H,201,247)(H,202,260)(H,203,263)(H,204,262)(H,205,266)(H,206,249)(H,207,244)(H,208,256)(H,209,257)(H,210,267)(H,211,245)(H,212,258)(H,213,264)(H,225,226)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,268,269)(H4,176,177,179)/t79-,80-,81-,82-,83-,84-,85-,86+,87+,88+,96-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,130-,131-,132-,133-,134-,135-,136-/m0/s1"	""	""	""
"11805"	"hGLP-2(3-33,M10Y)"	""	"Peptide"	""	""	""	""	"458923840"	"162366976"	""	""	""	""	""	""	""	""	""	""	"NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O"	"YVPAJDRBTJWURG-YXFFYCBWSA-N"	"InChI=1S/C160H242N40O54/c1-20-75(11)123(152(246)178-94(47-49-112(163)207)136(230)198-127(81(17)203)156(250)177-92(41-32-33-51-161)135(229)194-126(78(14)23-4)155(249)200-128(82(18)204)157(251)192-109(159(253)254)67-122(222)223)195-147(241)98(55-74(9)10)180-141(235)102(59-87-68-170-91-40-31-30-39-89(87)91)184-143(237)104(62-114(165)209)191-153(247)124(76(12)21-2)196-148(242)101(57-85-37-28-25-29-38-85)182-145(239)107(65-120(218)219)187-133(227)93(42-34-52-169-160(167)168)175-131(225)80(16)172-130(224)79(15)173-137(231)96(53-72(5)6)179-142(236)103(61-113(164)208)185-146(240)108(66-121(220)221)188-138(232)97(54-73(7)8)190-154(248)125(77(13)22-3)197-158(252)129(83(19)205)199-149(243)105(63-115(166)210)186-139(233)100(58-86-43-45-88(206)46-44-86)181-134(228)95(48-50-117(212)213)176-144(238)106(64-119(216)217)189-151(245)111(71-202)193-140(234)99(56-84-35-26-24-27-36-84)183-150(244)110(70-201)174-116(211)69-171-132(226)90(162)60-118(214)215/h24-31,35-40,43-46,68,72-83,90,92-111,123-129,170,201-206H,20-23,32-34,41-42,47-67,69-71,161-162H2,1-19H3,(H2,163,207)(H2,164,208)(H2,165,209)(H2,166,210)(H,171,226)(H,172,224)(H,173,231)(H,174,211)(H,175,225)(H,176,238)(H,177,250)(H,178,246)(H,179,236)(H,180,235)(H,181,228)(H,182,239)(H,183,244)(H,184,237)(H,185,240)(H,186,233)(H,187,227)(H,188,232)(H,189,245)(H,190,248)(H,191,247)(H,192,251)(H,193,234)(H,194,229)(H,195,241)(H,196,242)(H,197,252)(H,198,230)(H,199,243)(H,200,249)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,253,254)(H4,167,168,169)/t75-,76-,77-,78-,79-,80-,81+,82+,83+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,123-,124-,125-,126-,127-,128-,129-/m0/s1"	""	""	""
"4215"	"Hg<sup>2+</sup>"	""	"Inorganic"	""	""	""	""	"178101032"	"0"	""	""	""	""	""	""	""	""	""	"mercury"	""	""	""	""	""	""
"12978"	"hIMB1636-MMAE"	""	"Antibody"	""	""	""	""	"485206099"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"324"	"himbacine"	""	"Natural product"	""	""	""	""	"135650350"	"6436265"	""	""	"CHEMBL277642"	""	""	""	""	"(1S,3aS,4aR,8aS,9R,9aR)-9-[(E)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl]-1-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-naphtho[3,2-c]furan-3-one"	""	""	"C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2"	"FMPNFDSPHNUFOS-LPJDIUFZSA-N"	"InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+/m0/s1"	""	""	""
"12504"	"hINSL5: A8-21 (T15K)"	""	"Peptide"	""	""	""	""	"479821294"	"0"	""	""	""	""	""	""	""	""	""	"analogue 13 [PMID: 26824523]"	""	""	""	""	""	""
"9324"	"hINSL5: A8-21 (T9R)"	""	"Peptide"	""	""	""	""	"318164843"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5328"	"(-)-HIP-A"	""	"Synthetic organic"	""	""	""	""	"178101994"	"15432001"	""	""	"CHEMBL334583"	""	""	""	""	"(3aR,4S,6aR)-3-hydroxy-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4-carboxylic acid"	""	""	"OC(=O)[C@H]1NC[C@H]2[C@@H]1C(=NO2)O"	"XJSXFNHFIBCTDU-HZLVTQRSSA-N"	"InChI=1S/C6H8N2O4/c9-5-3-2(12-8-5)1-7-4(3)6(10)11/h2-4,7H,1H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1"	""	""	""
"5197"	"Hip-His Leu"	""	"Peptide"	""	""	""	""	"178101885"	"0"	""	""	""	""	""	""	""	""	""	"Hippuryl-His-Leu"	""	""	""	""	""	""
"9502"	"His-Leu-lopinavir"	""	"Synthetic organic"	""	""	""	""	"329968441"	"124221655"	""	""	""	""	""	""	""	""	""	"His-Leu-LPV|Histidine-Leucine-Lopinavir"	"CC(CC(CC(=O)O[C@H]([C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)C[C@@H](NC(=O)[C@@H](N1CCCNC1=O)C(C)C)Cc1ccccc1)NC(=O)CC(Cc1c[nH]cn1)N)C"	"CNRARJITWNMDCM-XGZCXRAPSA-N"	"InChI=1S/C51H70N8O7/c1-33(2)23-40(56-45(60)27-39(52)26-42-30-53-32-55-42)29-47(62)66-44(43(25-38-19-11-8-12-20-38)58-46(61)31-65-49-35(5)15-13-16-36(49)6)28-41(24-37-17-9-7-10-18-37)57-50(63)48(34(3)4)59-22-14-21-54-51(59)64/h7-13,15-20,30,32-34,39-41,43-44,48H,14,21-29,31,52H2,1-6H3,(H,53,55)(H,54,64)(H,56,60)(H,57,63)(H,58,61)/t39?,40?,41-,43-,44-,48-/m0/s1"	""	""	""
"5572"	"[His<sup>4</sup>, Tyr<sup>5</sup>, Trp<sup>6</sup>, His<sup>7</sup>]TIP39 (human)"	""	"Peptide"	""	""	""	""	"178102208"	"0"	""	""	""	""	""	""	""	""	""	"[His<sup>4</sup>, Tyr<sup>5</sup>, Trp<sup>6</sup>, His<sup>7</sup>]-hTIP39|[His<sup>4</sup>, Tyr<sup>5</sup>, Trp<sup>6</sup>, His<sup>7</sup>]-TIP39 (human)|HYWH-TIP39"	""	""	""	""	""	""
"1793"	"[His<sup>5</sup>,Arg<sup>19</sup>]PTH-(1-34) (human)"	""	"Peptide"	""	""	""	""	"135652184"	"0"	""	""	""	""	""	""	""	""	""	"[His<sup>5</sup>,Arg<sup>19</sup>]-PTH 1-34 (human)"	""	""	""	""	""	""
"1794"	"[His<sup>5</sup>]PTH-(1-34) (human)"	""	"Peptide"	""	""	""	""	"135652185"	"0"	""	""	""	""	""	""	""	""	""	"[His<sup>5</sup>]-PTH 1-34 (human)"	""	""	""	""	""	""
"1170"	"[His<sup>5</sup>,<small>D</small>-Tyr<sup>6</sup>]GnRH"	""	"Peptide"	""	""	""	""	"135652186"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1204"	"histamine"	""	"Metabolite"	""	""	""	""	"135651493"	"774"	""	""	"CHEMBL90"	""	""	""	""	"2-(3H-imidazol-4-yl)ethanamine"	""	""	"NCCc1cnc[nH]1"	"NTYJJOPFIAHURM-UHFFFAOYSA-N"	"InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)"	"yes"	""	""
"4026"	"histaprodifen"	""	"Synthetic organic"	""	""	""	""	"178100852"	"10447834"	""	""	"CHEMBL275507"	""	""	""	""	"2-[2-[3,3-di(phenyl)propyl]-3H-imidazol-4-yl]ethanamine"	""	""	"NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1"	"BPZGZNLONLANFE-UHFFFAOYSA-N"	"InChI=1S/C20H23N3/c21-14-13-18-15-22-20(23-18)12-11-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-14,21H2,(H,22,23)"	""	""	""
"14556"	"histatin 1"	"Human"	"Peptide"	""	""	""	""	"528429877"	"0"	"P15515"	"ENSG00000126550"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9344"	"histerelin"	""	"Peptide"	""	""	""	""	"328083447"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9485"	"histidyl-leucine"	""	"Peptide"	""	""	""	""	"329968425"	"189008"	""	""	"CHEMBL90260"	""	""	""	""	"H-His-Leu-OH"	""	"His-leu|Histidylleucine|L-histidyl-L-leucine"	"N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1[nH]cnc1"	"MMFKFJORZBJVNF-UWVGGRQHSA-N"	"InChI=1S/C12H20N4O3/c1-7(2)3-10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t9-,10-/m0/s1"	""	""	""
"3884"	"histrelin"	""	"Peptide"	"yes"	""	""	""	"178100720"	"25077993"	""	""	"CHEMBL1201255"	""	""	""	""	""	"histrelin"	"ORF 17070|RWJ 17070|Vantas&reg;"	"CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ncn(c1)Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)CO)CC(C)C)CCCN=C(N)N"	"HHXHVIJIIXKSOE-QILQGKCVSA-N"	"InChI=1S/C66H86N18O12/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71)/t47-,48-,49-,50-,51-,52-,53+,54-,55-/m0/s1"	""	""	""
"8495"	"HIV-1 matrix protein p17"	""	"Peptide"	""	""	""	""	"252166703"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"773"	"HIV-Tat"	""	"Peptide"	""	""	""	""	"135652187"	"0"	""	""	""	""	""	""	""	""	""	"Tat<sub>1-86</sub>"	""	""	""	""	""	""
"12140"	"HJC0152"	""	"Synthetic organic"	""	""	""	""	"472319262"	"71527596"	""	""	"CHEMBL2326743"	""	""	""	""	"2-(2-aminoethoxy)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide"	""	"compound 11 [PMID: 23459613]|compound 11 [WO2014113467A1]|HJC-0152|HJC-1-52"	"NCCOc1c(cc(Cl)cc1)C(=O)Nc1c(Cl)cc(cc1)[N+](=O)[O-]"	"DIMJVBOEXNWPOG-UHFFFAOYSA-N"	"InChI=1S/C15H13Cl2N3O4/c16-9-1-4-14(24-6-5-18)11(7-9)15(21)19-13-3-2-10(20(22)23)8-12(13)17/h1-4,7-8H,5-6,18H2,(H,19,21)"	""	""	""
"6556"	"HJC 0350"	""	"Synthetic organic"	""	""	""	""	"178103170"	"22200891"	""	""	"CHEMBL2313646"	""	""	""	""	"2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole"	""	"HJC0350"	"Cc1cc(C)c(c(c1)C)S(=O)(=O)n1cc(cc1C)C"	"AFZWZVLPIMHLSE-UHFFFAOYSA-N"	"InChI=1S/C15H19NO2S/c1-10-6-12(3)15(13(4)7-10)19(17,18)16-9-11(2)8-14(16)5/h6-9H,1-5H3"	""	""	""
"8672"	"hK2p01 derivative KLK2 inhibitor"	""	"Peptide"	""	""	""	""	"252166872"	"11700955"	""	""	"CHEMBL2171880"	""	""	""	""	"2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]acetic acid"	""	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)C)C)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N)Cc1ccccc1"	"BVRWWHKWGPOKPN-NXOPMQQOSA-N"	"InChI=1S/C59H82N16O11/c1-32(2)49(75-54(82)43(22-13-14-24-60)71-56(84)45(26-36-16-7-6-8-17-36)72-53(81)44(70-50(78)33(3)61)23-15-25-64-59(62)63)58(86)74-47(28-38-30-66-42-21-12-10-19-40(38)42)57(85)73-46(27-37-29-65-41-20-11-9-18-39(37)41)55(83)69-35(5)52(80)68-34(4)51(79)67-31-48(76)77/h6-12,16-21,29-30,32-35,43-47,49,65-66H,13-15,22-28,31,60-61H2,1-5H3,(H,67,79)(H,68,80)(H,69,83)(H,70,78)(H,71,84)(H,72,81)(H,73,85)(H,74,86)(H,75,82)(H,76,77)(H4,62,63,64)/t33-,34-,35-,43-,44-,45-,46-,47-,49-/m0/s1"	""	""	""
"13573"	"HK370"	""	"Synthetic organic"	""	""	""	""	"504705392"	"172431609"	""	""	""	""	""	""	""	"(2S,3S,4R,5R)-5-{4-amino-5-[2-(pyrimidin-5-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-3,4-dihydroxy-N-(4-methyl-2-oxo-2H-chromen-7-yl)oxolane-2-carboxamide"	""	"compound 18l [PMID: 39220762]|HK-370"	"NC=1C2=C(N=CN1)N(C=C2C#CC=3C=NC=NC3)[C@H]4[C@@H]([C@@H]([C@H](O4)C(=O)NC5=CC=C6C(=CC(OC6=C5)=O)C)O)O"	"FZDIXMFZOFAVRI-NBCVKUGOSA-N"	"InChI=1S/C27H21N7O6/c1-13-6-19(35)39-18-7-16(4-5-17(13)18)33-26(38)23-21(36)22(37)27(40-23)34-10-15(3-2-14-8-29-11-30-9-14)20-24(28)31-12-32-25(20)34/h4-12,21-23,27,36-37H,1H3,(H,33,38)(H2,28,31,32)/t21-,22+,23-,27+/m0/s1"	""	""	""
"14463"	"HKC54"	""	"Synthetic organic"	""	""	""	""	"528429784"	"145004850"	""	""	""	""	""	""	""	"(E)-2-(2-oxopiperidine-1-carbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile"	""	"HKC-54"	"COC1=CC(/C=C(\C#N)/C(=O)N2CCCCC2=O)=CC(OC)=C1OC"	"DNZLLNAINRAZCU-MDWZMJQESA-N"	"InChI=1S/C18H20N2O5/c1-23-14-9-12(10-15(24-2)17(14)25-3)8-13(11-19)18(22)20-7-5-4-6-16(20)21/h8-10H,4-7H2,1-3H3/b13-8+"	""	""	""
"13443"	"HLX22"	""	"Antibody"	""	""	""	""	"500839853"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9553"	"Hm1a"	""	"Peptide"	""	""	""	""	"336446939"	"0"	""	""	""	""	""	""	""	""	""	"&delta;-theraphotoxin-Hm1a"	""	""	""	""	""	""
"8788"	"HM50316"	""	"Synthetic organic"	""	""	""	""	"252827446"	"49872404"	""	""	"CHEMBL1782969"	""	""	""	""	"2-[3-[2-[1-(4-chlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]phenyl]phenoxy]-2-methylpropanoic acid"	""	"compound 5g [PMID: 21481589]|HM 50316"	"Clc1ccc(cc1)n1nc(cc1c1cccs1)c1ccccc1c1cccc(c1)OC(C(=O)O)(C)C"	"HOACFVYJBHHSBC-UHFFFAOYSA-N"	"InChI=1S/C29H23ClN2O3S/c1-29(2,28(33)34)35-22-8-5-7-19(17-22)23-9-3-4-10-24(23)25-18-26(27-11-6-16-36-27)32(31-25)21-14-12-20(30)13-15-21/h3-18H,1-2H3,(H,33,34)"	""	""	""
"2590"	"HMR-1556"	""	"Synthetic organic"	""	""	""	""	"135650352"	"9867091"	""	""	""	""	""	""	""	"N-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-(4,4,4-trifluorobutoxy)chroman-4-yl]-N-methylethanesulfonamide"	""	"chromanol HMR1556"	"CCS(=O)(=O)N([C@H]1c2cc(OCCCC(F)(F)F)ccc2OC([C@@H]1O)(C)C)C"	"YBZQPPIQXNWGEX-JKSUJKDBSA-N"	"InChI=1S/C18H26F3NO5S/c1-5-28(24,25)22(4)15-13-11-12(26-10-6-9-18(19,20)21)7-8-14(13)27-17(2,3)16(15)23/h7-8,11,15-16,23H,5-6,9-10H2,1-4H3/t15-,16+/m0/s1"	""	""	""
"2580"	"HmTx1"	""	"Peptide"	""	""	""	""	"135652182"	"0"	"P60992"	""	""	""	""	""	""	""	""	"&kappa;-theraphotoxin-Hm1a|&kappa;-TRTX-Hm1a|Heteroscodratoxin-1"	""	""	""	""	""	""
"14183"	"HNF4&alpha; inhibitor"	""	"Synthetic organic"	""	""	""	""	"518520810"	"176516535"	""	""	""	""	""	""	""	""	""	""	"ClC1=C(C=CC(=C1)C)C#CC=2C=CC(=C(C(=O)O)C2)O"	"MPIIFFQCCOXLOT-UHFFFAOYSA-N"	"InChI=1S/C16H11ClO3/c1-10-2-5-12(14(17)8-10)6-3-11-4-7-15(18)13(9-11)16(19)20/h2,4-5,7-9,18H,1H3,(H,19,20)"	""	""	""
"7911"	"HNHA"	""	"Synthetic organic"	""	""	""	""	"249565594"	"16126782"	""	""	"CHEMBL2419279"	""	""	""	""	"N-hydroxy-7-naphthalen-2-ylsulfanylheptanamide"	""	"histone deacetylase inhibitor VI"	"ONC(=O)CCCCCCSc1ccc2c(c1)cccc2"	"KPNNXHVGOKRBEF-UHFFFAOYSA-N"	"InChI=1S/C17H21NO2S/c19-17(18-20)9-3-1-2-6-12-21-16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,20H,1-3,6,9,12H2,(H,18,19)"	""	""	""
"13177"	"hobartine"	""	"Synthetic organic"	""	""	""	""	"491299959"	"14636497"	""	""	""	""	""	""	""	"3-[[(1S,2R,5S)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl]methyl]-1H-indole"	""	""	"CC1=CC[C@H]2C[C@@H]1[C@H](NC2(C)C)CC3=CNC4=CC=CC=C43"	"NSDQMUJDDVITQX-VDZJLULYSA-N"	"InChI=1S/C20H26N2/c1-13-8-9-15-11-17(13)19(22-20(15,2)3)10-14-12-21-18-7-5-4-6-16(14)18/h4-8,12,15,17,19,21-22H,9-11H2,1-3H3/t15-,17-,19+/m0/s1"	""	""	""
"3359"	"homo-AMPA"	""	"Synthetic organic"	""	""	""	""	"178100385"	"4236420"	""	""	"CHEMBL107768"	""	""	""	""	"2-amino-4-(5-methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)butanoic acid"	""	""	"OC(=O)C(CCc1c(C)o[nH]c1=O)N"	"NZDIZJGEDFARSV-UHFFFAOYSA-N"	"InChI=1S/C8H12N2O4/c1-4-5(7(11)10-14-4)2-3-6(9)8(12)13/h6H,2-3,9H2,1H3,(H,10,11)(H,12,13)"	""	""	""
"12444"	"homoeriodictyol"	""	"Natural product"	""	""	""	""	"479821234"	"3512637"	""	""	"CHEMBL398282"	""	""	""	""	"5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one"	""	"(+/-)-5,7,4'-Trihydroxy-3'-methoxyflavanone|(+/-)-Homoeriodictyol"	"COC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O"	"FTODBIPDTXRIGS-UHFFFAOYSA-N"	"InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3"	""	""	""
"4216"	"homoquinolinic acid"	""	"Synthetic organic"	""	""	""	""	"178101033"	"3080554"	""	""	"CHEMBL280828"	""	""	""	""	"3-(carboxymethyl)pyridine-2-carboxylic acid"	""	"HQA"	"OC(=O)Cc1cccnc1C(=O)O"	"HQPMJFFEXJELOQ-UHFFFAOYSA-N"	"InChI=1S/C8H7NO4/c10-6(11)4-5-2-1-3-9-7(5)8(12)13/h1-3H,4H2,(H,10,11)(H,12,13)"	""	""	""
"2545"	"hongotoxin-1"	""	"Peptide"	""	""	""	""	"135652189"	"0"	"P59847"	""	""	""	""	""	""	""	""	"HgTX1|potassium channel toxin &alpha;-KTx 2.5"	""	""	""	""	""	""
"11610"	"honokiol"	""	"Natural product"	""	""	""	""	"442878644"	"72303"	""	""	"CHEMBL16901"	""	""	""	""	"2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol"	""	""	"C=CCc1ccc(c(c1)c1ccc(c(c1)CC=C)O)O"	"FVYXIJYOAGAUQK-UHFFFAOYSA-N"	"InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2"	""	""	""
"1046"	"Hp(2-20)"	""	"Peptide"	""	""	""	""	"135652192"	"155817387"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O"	"JHPLDUFKMYOICI-HIQIDBLNSA-N"	"InChI=1S/C107H182N30O27/c1-10-62(8)87(105(162)127-72(41-43-82(115)139)94(151)132-79(56-83(116)140)101(158)133-80(57-85(143)144)102(159)128-74(106(163)164)39-22-28-50-113)137-96(153)70(38-21-27-49-112)125-103(160)81(58-138)135-100(157)77(54-64-30-13-11-14-31-64)131-98(155)76(53-60(4)5)130-91(148)68(36-19-25-47-110)121-93(150)73(42-44-84(141)142)126-97(154)75(52-59(2)3)129-92(149)71(40-29-51-119-107(117)118)123-90(147)67(35-18-24-46-109)124-99(156)78(55-65-32-15-12-16-33-65)134-104(161)86(61(6)7)136-95(152)69(37-20-26-48-111)122-89(146)66(34-17-23-45-108)120-88(145)63(9)114/h11-16,30-33,59-63,66-81,86-87,138H,10,17-29,34-58,108-114H2,1-9H3,(H2,115,139)(H2,116,140)(H,120,145)(H,121,150)(H,122,146)(H,123,147)(H,124,156)(H,125,160)(H,126,154)(H,127,162)(H,128,159)(H,129,149)(H,130,148)(H,131,155)(H,132,151)(H,133,158)(H,134,161)(H,135,157)(H,136,152)(H,137,153)(H,141,142)(H,143,144)(H,163,164)(H4,117,118,119)/t62-,63-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,86-,87-/m0/s1"	""	""	""
"9685"	"HpARI"	""	"Peptide"	""	""	""	""	"348353644"	"0"	""	""	""	""	""	""	""	""	""	"<i>H. polygyrus</i> Alarmin Release Inhibitor"	""	""	""	"yes"	""	""
"12910"	"HPG1860"	""	"Synthetic organic"	""	""	""	""	"485206031"	"169422740"	""	""	""	""	""	""	""	"2-[(2R)-4-{[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl}-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid"	""	"compound 23 [PMID: 37424079]|HPG-1860"	"ClC1=CC=CC(Cl)=C1C2=NOC(C3CC3)=C2CN4C[C@@H](C)N(CC4)C5=NC6=C(OC)C=C(C(O)=O)C=C6S5"	"JPEHHEUXHNQIIX-CQSZACIVSA-N"	"InChI=1S/C27H26Cl2N4O4S/c1-14-12-32(8-9-33(14)27-30-24-20(36-2)10-16(26(34)35)11-21(24)38-27)13-17-23(31-37-25(17)15-6-7-15)22-18(28)4-3-5-19(22)29/h3-5,10-11,14-15H,6-9,12-13H2,1-2H3,(H,34,35)/t14-/m1/s1"	""	""	""
"9732"	"HPN"	""	"Synthetic organic"	""	""	""	""	"354702208"	"53371736"	""	""	""	""	""	""	""	"3,4-dibromo-5-[[2-bromo-3,4-dihydroxy-6-(propan-2-yloxymethyl)phenyl]methyl]benzene-1,2-diol"	""	""	"CC(OCc1cc(O)c(c(c1Cc1cc(O)c(c(c1Br)Br)O)Br)O)C"	"ZBDKXZCSKUHAPY-UHFFFAOYSA-N"	"InChI=1S/C17H17Br3O5/c1-7(2)25-6-9-5-12(22)16(23)14(19)10(9)3-8-4-11(21)17(24)15(20)13(8)18/h4-5,7,21-24H,3,6H2,1-2H3"	""	""	""
"2827"	"HPTE"	""	"Synthetic organic"	""	""	""	""	"135650353"	"76302"	""	""	"CHEMBL196585"	""	""	""	""	"4-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]phenol"	""	""	"ClC(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)Cl"	"IUGDILGOLSSKNE-UHFFFAOYSA-N"	"InChI=1S/C14H11Cl3O2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13,18-19H"	""	""	""
"6662"	"HQL-79"	""	"Synthetic organic"	""	""	""	""	"178103274"	"6540277"	""	""	"CHEMBL574003"	""	""	""	""	"4-[di(phenyl)methoxy]-1-[3-(2H-tetrazol-5-yl)propyl]piperidine"	""	"HQL 79|HQL79"	"c1ccc(cc1)C(c1ccccc1)OC1CCN(CC1)CCCc1nnn[nH]1"	"TZQGXAHOROZEKN-UHFFFAOYSA-N"	"InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26)"	""	""	""
"11973"	"HR1405-01"	""	"Synthetic organic"	""	""	""	""	"464244114"	"10037656"	""	""	"CHEMBL441414"	""	""	""	""	"(S)-2-(4-(((1R,2S)-2-Hydroxycyclopentyl)methyl)phenyl)propanoic acid"	""	"compound 5a [PMID: 14980665]|loxoprofen trans-alcohol"	"O[C@@H]1[C@H](CCC1)Cc1ccc(cc1)[C@@H](C(=O)O)C"	"SHAHPWSYJFYMRX-GDLCADMTSA-N"	"InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m0/s1"	""	""	""
"1321"	"HS014"	""	"Peptide"	""	""	""	""	"135652193"	"0"	""	""	""	""	""	""	""	""	""	"HS 014"	""	""	""	""	""	""
"1328"	"HS024"	""	"Peptide"	""	""	""	""	"135652194"	"0"	""	""	""	""	""	""	""	""	""	"cyclic[AcCys3,Nle4,Arg5,D-Nal7,Cys-NH2(11)]alpha-MSH-(3-11)|HS 024"	""	""	""	""	""	""
"4952"	"HS-142-1"	""	"Natural product"	""	""	""	""	"178101650"	"0"	""	""	""	""	""	""	""	""	""	"HS142-1"	""	""	""	""	""	""
"8243"	"HS-173"	""	"Synthetic organic"	""	""	""	""	"249565923"	"52936849"	""	""	"CHEMBL1765463"	""	""	""	""	"ethyl 6-[5-(benzenesulfonamido)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxylate"	""	""	"CCOC(=O)c1cnc2n1cc(cc2)c1cncc(c1)NS(=O)(=O)c1ccccc1"	"SEKOTFCHZNXZMM-UHFFFAOYSA-N"	"InChI=1S/C21H18N4O4S/c1-2-29-21(26)19-13-23-20-9-8-15(14-25(19)20)16-10-17(12-22-11-16)24-30(27,28)18-6-4-3-5-7-18/h3-14,24H,2H2,1H3"	""	""	""
"9189"	"HS665"	""	"Synthetic organic"	""	""	""	""	"315661268"	"71452041"	""	""	"CHEMBL2180639"	""	""	""	""	"3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol"	""	"compound 4 [PMID: 23134120]"	"Oc1cccc(c1)CCN(CC1CCC1)CCc1ccccc1"	"YNVKFHIWFDRVNY-UHFFFAOYSA-N"	"InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2"	""	""	""
"10424"	"HSD1590"	""	"Synthetic organic"	""	""	""	""	"385612184"	"139030519"	""	""	""	""	""	""	""	""	""	""	"COc1c(cccc1B(O)O)c1nc2ccc3c(c2c2c1CCC2)cn[nH]3"	"WTZMCUOBQPTERK-UHFFFAOYSA-N"	"InChI=1S/C20H18BN3O3/c1-27-20-13(6-3-7-15(20)21(25)26)19-12-5-2-4-11(12)18-14-10-22-24-16(14)8-9-17(18)23-19/h3,6-10,25-26H,2,4-5H2,1H3,(H,22,24)"	""	""	""
"13054"	"HSGN-218"	""	"Synthetic organic"	""	""	""	""	"491299836"	"155235618"	""	""	"CHEMBL4783571"	""	""	""	""	"N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide"	""	""	"C1=CC(=CC=C1C(=O)NC2=NN=C(O2)C3=CC(=CC(=C3)Cl)Cl)SC(F)(F)F"	"YNSLXRYEPGHGRY-UHFFFAOYSA-N"	"InChI=1S/C16H8Cl2F3N3O2S/c17-10-5-9(6-11(18)7-10)14-23-24-15(26-14)22-13(25)8-1-3-12(4-2-8)27-16(19,20)21/h1-7H,(H,22,24,25)"	""	""	"yes"
"13959"	"HSK31858"	""	"Synthetic organic"	""	""	""	""	"513757644"	"156768862"	""	""	"CHEMBL4859234"	""	""	""	""	"5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine"	""	"compound 54 [PMID: 34374541]"	"CN1CCN(CC1)C2=CN=C(NC3=NC=C(Cl)C(NC4=CC(=CC=C4)C(F)(F)F)=N3)C=C2"	"JNAOGJWOQFVLOM-UHFFFAOYSA-N"	"InChI=1S/C21H21ClF3N7/c1-31-7-9-32(10-8-31)16-5-6-18(26-12-16)29-20-27-13-17(22)19(30-20)28-15-4-2-3-14(11-15)21(23,24)25/h2-6,11-13H,7-10H2,1H3,(H2,26,27,28,29,30)"	""	""	""
"13138"	"HSL119"	""	"Synthetic organic"	""	""	""	""	"491299920"	"169447817"	""	""	""	""	""	""	""	"3-[2-(8-amino-1,7-naphthyridin-5-yl)ethynyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide"	""	"HSL-119"	"CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)C#CC4=CN=C(C5=C4C=CC=N5)N)C(F)(F)F"	"WBNIVQNHQROLSV-UHFFFAOYSA-N"	"InChI=1S/C30H27F3N6O/c1-38-12-14-39(15-13-38)19-23-9-10-24(17-26(23)30(31,32)33)37-29(40)21-5-2-4-20(16-21)7-8-22-18-36-28(34)27-25(22)6-3-11-35-27/h2-6,9-11,16-18H,12-15,19H2,1H3,(H2,34,36)(H,37,40)"	""	""	""
"4953"	"hsp60"	"Human"	"Peptide"	""	""	""	""	"178101651"	"0"	"P10809"	"ENSG00000144381"	""	""	""	""	""	""	""	"heat shock 60kD protein 1 (chaperonin)|HSP-60|mitochondrial matrix protein P1"	""	""	""	"yes"	""	""
"7752"	"hsp90&alpha;<sub>1</sub>"	"Human"	"Peptide"	""	""	""	""	"223366085"	"0"	"P07900"	"ENSG00000080824"	""	""	""	""	""	""	""	"HSP90A|HSPC1|HSPCA"	""	""	""	""	""	""
"5365"	"hsp90&beta;"	"Human"	"Peptide"	""	""	""	""	"178102025"	"0"	"P08238"	"ENSG00000096384"	""	""	""	""	""	""	""	"heat shock 84 kDa|heat shock protein HSP 90-beta|HSP 84|HSP84"	""	""	""	""	""	""
"9582"	"HsTX1[R14A]"	""	"Peptide"	""	""	""	""	"340590213"	"0"	""	""	""	""	""	""	""	""	""	"KTx 6.3"	""	""	""	"yes"	""	""
"2448"	"H<sub>2</sub>O<sub>2</sub>"	""	"Inorganic"	""	""	""	""	"135652736"	"784"	""	""	""	""	""	""	""	""	""	"hydrogen peroxide"	""	""	""	""	""	""
"9532"	"H<sub>2</sub>S"	""	"Inorganic"	""	""	""	""	"336446918"	"402"	""	""	""	""	""	""	""	""	""	"hydrogen sulfide"	""	""	""	"yes"	""	""
"2346"	"H<sup>+</sup>"	""	"Inorganic"	""	""	""	""	"135652738"	"1038"	""	""	""	""	""	""	""	""	""	"hydrogen ion"	""	""	""	""	""	""
"14302"	"HT-01"	""	"Synthetic organic"	""	""	"yes"	""	"523352094"	"60204011"	""	""	""	""	""	""	""	""	""	"compound 35 [PMID: 23103940]"	"CC1=CC(C)=C2C=C3C=CC(CCC(=O)NCCCCCN(CCC4=CC=CC=C4)C(=O)N5C=C(N=N5)C6=CC=C(OC(F)(F)F)C=C6)=[N+]3[B-](F)(F)N12"	"OWIPXLLGTKENRU-UHFFFAOYSA-N"	"InChI=1S/C37H39BF5N7O3/c1-26-23-27(2)49-34(26)24-31-14-13-30(50(31)38(49,42)43)15-18-35(51)44-20-7-4-8-21-47(22-19-28-9-5-3-6-10-28)36(52)48-25-33(45-46-48)29-11-16-32(17-12-29)53-37(39,40)41/h3,5-6,9-14,16-17,23-25H,4,7-8,15,18-22H2,1-2H3,(H,44,51)"	""	""	""
"8649"	"HT1042"	""	"Synthetic organic"	""	""	""	""	"252166849"	"325597"	""	""	"CHEMBL3265177"	""	""	""	""	"5-(3-nitrophenyl)-1,3,4-oxathiazol-2-one"	""	""	"O=c1snc(o1)c1cccc(c1)[N+](=O)[O-]"	"QBAZATRGWRVUFN-UHFFFAOYSA-N"	"InChI=1S/C8H4N2O4S/c11-8-14-7(9-15-8)5-2-1-3-6(4-5)10(12)13/h1-4H"	""	""	""
"8977"	"HTH-01-015"	""	"Synthetic organic"	""	""	""	""	"310264757"	"78357766"	""	""	""	""	""	""	""	""	""	"HTH01-015"	"Cc1nc(Nc2cnn(c2)C2CCNCC2)nc2c1n(C)c(=O)c1c(n2C)cc2c(c1)cccc2"	"CHSDJDLAKKAWCI-UHFFFAOYSA-N"	"InChI=1S/C26H28N8O/c1-16-23-24(31-26(29-16)30-19-14-28-34(15-19)20-8-10-27-11-9-20)32(2)22-13-18-7-5-4-6-17(18)12-21(22)25(35)33(23)3/h4-7,12-15,20,27H,8-11H2,1-3H3,(H,29,30,31)"	""	""	""
"11085"	"HTH-02-006"	""	"Synthetic organic"	""	""	""	""	"434122146"	"154699441"	""	""	""	""	""	""	""	"N-(3-((5-iodo-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)oxy)phenyl)propionamide"	""	""	"CCC(=O)Nc1cccc(c1)Oc1nc(ncc1I)Nc1ccc(cc1OC)N1CCN(CC1)C"	"KQMWYEJQANQTDM-UHFFFAOYSA-N"	"InChI=1S/C25H29IN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h5-9,14-16H,4,10-13H2,1-3H3,(H,28,33)(H,27,29,30)"	""	""	""
"11255"	"HTI-1"	""	"Synthetic organic"	""	""	""	""	"434122315"	"154699468"	""	""	""	""	""	""	""	"(3R,4S,5R,6R)-6-(hydroxymethyl)-4-(8-quinolin-6-yloxyoctoxy)oxane-2,3,5-triol"	""	"compound 1c"	"OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)OCCCCCCCCOc1ccc2c(c1)cccn2)O"	"PHDIJLFSKNMCMI-ITGJKDDRSA-N"	"InChI=1S/C23H33NO7/c25-15-19-20(26)22(21(27)23(28)31-19)30-13-6-4-2-1-3-5-12-29-17-9-10-18-16(14-17)8-7-11-24-18/h7-11,14,19-23,25-28H,1-6,12-13,15H2/t19-,20-,21-,22+,23?/m1/s1"	""	"yes"	""
"11113"	"HTL22562"	""	"Synthetic organic"	""	""	""	""	"434122173"	"129072557"	""	""	""	""	""	""	""	""	""	"compound 8 [PMID: 32558564]|HTL-22562"	"O=C1Nc2ncccc2C2(O1)CCN(CC2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1CCN(CC1)c1ccncc1)CC1CCNCC1)Cc1cc(C)c2c(c1)cn[nH]2"	"LIPVCPUZWNTQHV-SAIUNTKASA-N"	"InChI=1S/C40H49N11O5/c1-26-21-28(22-29-25-44-48-34(26)29)24-32(46-38(54)51-15-8-40(9-16-51)31-3-2-10-43-35(31)47-39(55)56-40)36(52)45-33(23-27-4-11-41-12-5-27)37(53)50-19-17-49(18-20-50)30-6-13-42-14-7-30/h2-3,6-7,10,13-14,21-22,25,27,32-33,41H,4-5,8-9,11-12,15-20,23-24H2,1H3,(H,44,48)(H,45,52)(H,46,54)(H,43,47,55)/t32-,33+/m1/s1"	""	""	""
"11695"	"HTL6641"	""	"Synthetic organic"	""	""	""	""	"442878721"	"72707143"	""	""	"CHEMBL3740099"	""	""	""	""	"2-(5,6-dimethoxypyridin-3-yl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one"	""	"compound 27 [Christopher et al., 2015]|HTL'641|HTL-6641"	"COc1cc(cnc1OC)N1S(=O)(=O)c2c(N(C1=O)Cc1c(cc(cc1F)F)F)nccc2"	"SUQZCEUKWPKXEE-UHFFFAOYSA-N"	"InChI=1S/C20H15F3N4O5S/c1-31-16-8-12(9-25-19(16)32-2)27-20(28)26(10-13-14(22)6-11(21)7-15(13)23)18-17(33(27,29)30)4-3-5-24-18/h3-9H,10H2,1-2H3"	""	""	""
"1273"	"HTMT"	""	"Synthetic organic"	""	""	""	""	"135650354"	"124846"	""	""	"CHEMBL67601"	""	""	""	""	"6-[2-(3H-imidazol-4-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]heptanamide"	""	"histamine-trifluoromethyl-toluidine|histamine-trifluoromethyltoluide|HTFMT"	"CC(NCCc1cnc[nH]1)CCCCC(=O)Nc1ccc(cc1)C(F)(F)F"	"PMKJGGBYYNEYPA-UHFFFAOYSA-N"	"InChI=1S/C19H25F3N4O/c1-14(24-11-10-17-12-23-13-25-17)4-2-3-5-18(27)26-16-8-6-15(7-9-16)19(20,21)22/h6-9,12-14,24H,2-5,10-11H2,1H3,(H,23,25)(H,26,27)"	"yes"	""	""
"6736"	"HTS01037"	""	"Synthetic organic"	""	""	""	""	"178103347"	"5714537"	""	""	"CHEMBL1077990"	""	""	""	""	"(E)-4-[(2-methoxycarbonyl-5-thiophen-2-ylthiophen-3-yl)amino]-4-oxobut-2-enoic acid"	""	"compound 1 [PMID: 19754198]|HTS 01037"	"COC(=O)c1sc(cc1NC(=O)/C=C/C(=O)O)c1cccs1"	"GJODSFZNKNHKML-SNAWJCMRSA-N"	"InChI=1S/C14H11NO5S2/c1-20-14(19)13-8(15-11(16)4-5-12(17)18)7-10(22-13)9-3-2-6-21-9/h2-7H,1H3,(H,15,16)(H,17,18)/b5-4+"	""	""	""
"731"	"HU-210"	""	"Synthetic organic"	""	""	""	""	"135650355"	"9821569"	""	""	"CHEMBL307696"	""	""	""	""	"(6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol"	""	"HU 211|HU210"	"CCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)CO)(C)C)(C)C"	"SSQJFGMEZBFMNV-WOJBJXKFSA-N"	"InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1"	""	""	""
"10599"	"HU-580"	""	"Synthetic organic"	""	""	""	""	"404859046"	"145996527"	""	""	""	""	""	""	""	"2-{2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylphenyl}acetic acid"	""	"cannabidiolic acid methyl ester|CBDA-ME|HU580"	"CCCCCc1cc(O)c(c(c1CC(=O)O)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C"	"BOYRUNMTTPSTKZ-PKOBYXMFSA-N"	"InChI=1S/C23H32O4/c1-5-6-7-8-16-12-20(24)22(23(27)18(16)13-21(25)26)19-11-15(4)9-10-17(19)14(2)3/h11-12,17,19,24,27H,2,5-10,13H2,1,3-4H3,(H,25,26)/t17-,19+/m0/s1"	""	""	""
"12722"	"Hu7691"	""	"Synthetic organic"	""	""	""	""	"483123270"	"135274950"	""	""	"CHEMBL4595425"	""	""	""	""	""	""	"compound B5 [PMID: 34375113]|Hu-7691"	"FC1=C(C(N[C@@H]2CNCC[C@H]2C3=CC(F)=C(F)C=C3)=O)C=CC(C4=CC=NN4C)=C1"	"PALTUSLCLFDFQQ-MGPUTAFESA-N"	"InChI=1S/C22H21F3N4O/c1-29-21(7-9-27-29)14-2-4-16(18(24)11-14)22(30)28-20-12-26-8-6-15(20)13-3-5-17(23)19(25)10-13/h2-5,7,9-11,15,20,26H,6,8,12H2,1H3,(H,28,30)/t15-,20+/m0/s1"	""	""	""
"8973"	"human GIP(1-30)NH2"	""	"Peptide"	""	""	""	""	"310264753"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8971"	"human GIP(3-30)NH2"	""	"Peptide"	""	""	""	""	"310264751"	"155817505"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC"	"IOBVONZFFZDDEF-OTCKMHAFSA-N"	"InChI=1S/C189H285N49O55S/c1-17-97(10)153(238-183(286)139(92-240)232-170(273)126(76-105-53-55-109(242)56-54-105)220-178(281)137(85-151(258)259)228-182(285)138(91-239)233-187(290)155(99(12)19-3)237-181(284)128(75-104-42-24-21-25-43-104)229-188(291)156(102(15)241)234-146(249)90-204-159(262)112(195)57-64-147(250)251)185(288)208-101(14)158(261)211-122(65-71-294-16)166(269)226-134(82-148(252)253)176(279)214-118(51-33-38-69-193)167(270)236-154(98(11)18-2)186(289)230-131(79-108-88-201-93-206-108)173(276)216-120(59-62-141(197)244)164(267)215-121(60-63-142(198)245)165(268)225-135(83-149(254)255)177(280)221-127(74-103-40-22-20-23-41-103)180(283)235-152(96(8)9)184(287)231-133(81-144(200)247)175(278)222-130(78-107-87-203-114-47-29-27-45-111(107)114)172(275)219-125(73-95(6)7)169(272)218-124(72-94(4)5)168(271)207-100(13)157(260)210-119(58-61-140(196)243)163(266)212-115(48-30-35-66-190)160(263)205-89-145(248)209-116(49-31-36-67-191)161(264)213-117(50-32-37-68-192)162(265)224-132(80-143(199)246)174(277)227-136(84-150(256)257)179(282)223-129(77-106-86-202-113-46-28-26-44-110(106)113)171(274)217-123(189(292)293)52-34-39-70-194/h20-29,40-47,53-56,86-88,93-102,112,115-139,152-156,202-203,239-242H,17-19,30-39,48-52,57-85,89-92,190-195H2,1-16H3,(H2,196,243)(H2,197,244)(H2,198,245)(H2,199,246)(H2,200,247)(H,201,206)(H,204,262)(H,205,263)(H,207,271)(H,208,288)(H,209,248)(H,210,260)(H,211,261)(H,212,266)(H,213,264)(H,214,279)(H,215,267)(H,216,276)(H,217,274)(H,218,272)(H,219,275)(H,220,281)(H,221,280)(H,222,278)(H,223,282)(H,224,265)(H,225,268)(H,226,269)(H,227,277)(H,228,285)(H,229,291)(H,230,289)(H,231,287)(H,232,273)(H,233,290)(H,234,249)(H,235,283)(H,236,270)(H,237,284)(H,238,286)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,292,293)/t97-,98-,99-,100-,101-,102+,112-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,152-,153-,154-,155-,156-/m0/s1"	""	""	""
"8970"	"human GIP(3-42)NH2"	""	"Peptide"	""	""	""	""	"310264750"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8972"	"human GIP(5-30)NH2"	""	"Peptide"	""	""	""	""	"310264752"	"134813898"	""	""	""	""	""	""	""	""	""	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)CC(=O)O)CC(=O)N)CCCCN)CCCCN)CCCCN)CCC(=O)N)C)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)CC(=O)N)C(C)C)Cc1ccccc1)CC(=O)O)CCC(=O)N)CCC(=O)N)Cc1nc[nH]c1)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)N)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO)C)CCSC)CC(=O)O"	"NEJABMGLOVSGDX-RKHUIQFASA-N"	"InChI=1S/C182H275N47O51S/c1-17-94(10)148(229-176(273)135(89-231)224-163(260)122(74-102-53-55-106(233)56-54-102)212-171(268)133(83-145(246)247)220-175(272)134(88-230)225-181(278)150(96(12)19-3)228-174(271)124(73-101-42-24-21-25-43-101)221-177(274)146(193)99(15)232)179(276)200-98(14)152(249)203-118(63-69-281-16)159(256)218-130(80-142(240)241)169(266)206-114(51-33-38-67-186)160(257)227-149(95(11)18-2)180(277)222-127(77-105-86-194-90-198-105)166(263)208-116(58-61-137(189)235)157(254)207-117(59-62-138(190)236)158(255)217-131(81-143(242)243)170(267)213-123(72-100-40-22-20-23-41-100)173(270)226-147(93(8)9)178(275)223-129(79-140(192)238)168(265)214-126(76-104-85-196-110-47-29-27-45-108(104)110)165(262)211-121(71-92(6)7)162(259)210-120(70-91(4)5)161(258)199-97(13)151(248)202-115(57-60-136(188)234)156(253)204-111(48-30-35-64-183)153(250)197-87-141(239)201-112(49-31-36-65-184)154(251)205-113(50-32-37-66-185)155(252)216-128(78-139(191)237)167(264)219-132(82-144(244)245)172(269)215-125(75-103-84-195-109-46-28-26-44-107(103)109)164(261)209-119(182(279)280)52-34-39-68-187/h20-29,40-47,53-56,84-86,90-99,111-135,146-150,195-196,230-233H,17-19,30-39,48-52,57-83,87-89,183-187,193H2,1-16H3,(H2,188,234)(H2,189,235)(H2,190,236)(H2,191,237)(H2,192,238)(H,194,198)(H,197,250)(H,199,258)(H,200,276)(H,201,239)(H,202,248)(H,203,249)(H,204,253)(H,205,251)(H,206,266)(H,207,254)(H,208,263)(H,209,261)(H,210,259)(H,211,262)(H,212,268)(H,213,267)(H,214,265)(H,215,269)(H,216,252)(H,217,255)(H,218,256)(H,219,264)(H,220,272)(H,221,274)(H,222,277)(H,223,275)(H,224,260)(H,225,278)(H,226,270)(H,227,257)(H,228,271)(H,229,273)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,279,280)/t94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,146-,147-,148-,149-,150-/m0/s1"	""	""	""
"1047"	"humanin"	"Human"	"Peptide"	""	""	""	""	"135651789"	"16131438"	"Q8IVG9"	""	""	""	""	""	""	""	""	"formyl humanin"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCSC)N)C)CCCNC(=N)N)CO)CS)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CO)CCC(=O)O)CC(=O)O)CC(C)C"	"DPEUWKZJZIPZKE-OFANTOPUSA-N"	"InChI=1S/C119H204N34O32S2/c1-19-65(14)92(112(180)144-81(54-90(160)161)104(172)145-82(52-63(10)11)115(183)153-46-29-37-87(153)110(178)149-91(64(12)13)111(179)139-72(32-23-24-41-120)97(165)136-74(35-27-44-130-119(126)127)98(166)135-73(34-26-43-129-118(124)125)96(164)133-67(16)116(184)185)150-99(167)75(38-39-89(158)159)137-106(174)84(57-155)147-113(181)93(68(17)156)151-105(173)79(51-62(8)9)142-101(169)77(49-60(4)5)140-100(168)76(48-59(2)3)141-102(170)78(50-61(6)7)143-108(176)85(58-186)148-107(175)83(56-154)146-103(171)80(53-69-30-21-20-22-31-69)134-88(157)55-131-95(163)71(33-25-42-128-117(122)123)138-109(177)86-36-28-45-152(86)114(182)66(15)132-94(162)70(121)40-47-187-18/h20-22,30-31,59-68,70-87,91-93,154-156,186H,19,23-29,32-58,120-121H2,1-18H3,(H,131,163)(H,132,162)(H,133,164)(H,134,157)(H,135,166)(H,136,165)(H,137,174)(H,138,177)(H,139,179)(H,140,168)(H,141,170)(H,142,169)(H,143,176)(H,144,180)(H,145,172)(H,146,171)(H,147,181)(H,148,175)(H,149,178)(H,150,167)(H,151,173)(H,158,159)(H,160,161)(H,184,185)(H4,122,123,128)(H4,124,125,129)(H4,126,127,130)/t65-,66-,67-,68+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,91-,92-,93-/m0/s1"	""	""	""
"5199"	"huntingtin"	"Human"	"Peptide"	""	""	""	""	"178101887"	"0"	"P42858"	"ENSG00000197386"	""	""	""	""	""	""	""	"huntingtin protein"	""	""	""	""	""	""
"13727"	"huperzine A"	""	"Synthetic organic"	"yes"	""	""	""	"507750361"	"854026"	""	""	"CHEMBL395280"	""	""	""	""	""	""	""	"C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3"	"ZRJBHWIHUMBLCN-YQEJDHNASA-N"	"InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1"	""	""	""
"7570"	"huwentoxin IV"	""	"Peptide"	""	""	""	""	"223365906"	"0"	"P83303"	""	""	""	""	""	""	""	""	"huwentoxin-4|HwTx-IV"	""	""	""	""	""	""
"10668"	"HWL-088"	""	"Synthetic organic"	""	""	""	""	"404859115"	"139600331"	""	""	""	""	""	""	""	"2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid"	""	"CS-0105155|HWL 088|HWL088|HY-130120"	"OC(=O)COc1ccc(cc1F)OCc1cccc(c1)c1ccccc1C"	"NJYJBYPNDWNZAH-UHFFFAOYSA-N"	"InChI=1S/C22H19FO4/c1-15-5-2-3-8-19(15)17-7-4-6-16(11-17)13-26-18-9-10-21(20(23)12-18)27-14-22(24)25/h2-12H,13-14H2,1H3,(H,24,25)"	""	""	""
"8079"	"HX 531"	""	"Synthetic organic"	""	""	""	""	"249565759"	"11755040"	""	""	"CHEMBL326525"	""	""	""	""	"4-(5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid"	""	"HX-531|HX531"	"OC(=O)c1ccc(cc1)C1=Nc2cc(ccc2N(c2c1cc1c(c2)C(C)(C)CCC1(C)C)C)[N+](=O)[O-]"	"SXKPGYKPQPYJER-UHFFFAOYSA-N"	"InChI=1S/C29H29N3O4/c1-28(2)12-13-29(3,4)22-16-25-20(15-21(22)28)26(17-6-8-18(9-7-17)27(33)34)30-23-14-19(32(35)36)10-11-24(23)31(25)5/h6-11,14-16H,12-13H2,1-5H3,(H,33,34)"	""	""	""
"4954"	"hyaluronan"	""	"Metabolite"	""	""	""	""	"178101652"	"3084049"	""	""	""	""	""	""	""	"sodium (2S,3S,4R,5R,6R)-3-{[(2S,3R,4R,5S,6R)-4-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid"	""	"HA|hyaluronate|hyaluronic acid"	"OC[C@H]1O[C@@H](O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]2[C@@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]2O)CO)C(=O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)NC(=O)C.[Na+]"	"YWIVKILSMZOHHF-QJZPQSOGSA-N"	"InChI=1S/C28H44N2O23.Na/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43;/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45);/q;+1/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20+,21+,22+,25-,26+,27-,28-;/m1./s1"	""	""	""
"7326"	"hydralazine"	""	"Synthetic organic"	"yes"	""	""	""	"178103898"	"3637"	""	""	"CHEMBL276832"	""	""	""	""	"1-hydrazinylidene-1,2-dihydrophthalazine"	"hydralazine"	"Apresoline&reg;"	"NN=c1[nH]ncc2c1cccc2"	"RPTUSVTUFVMDQK-UHFFFAOYSA-N"	"InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)"	""	""	""
"4836"	"hydrochlorothiazide"	""	"Synthetic organic"	"yes"	""	""	""	"178101538"	"3639"	""	""	"CHEMBL435"	""	""	""	""	"6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide"	"hydrochlorothiazide"	"Apo-hydro&reg;"	"Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N"	"JZUFKLXOESDKRF-UHFFFAOYSA-N"	"InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)"	""	""	""
"7081"	"hydrocodone"	""	"Synthetic organic"	"yes"	""	""	""	"178103660"	"5284569"	""	""	"CHEMBL1457"	""	""	""	""	"(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one"	"hydrocodone"	"Zohydro&reg;"	"COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4CCC1=O)C"	"LLPOLZWFYMWNKH-CMKMFDCUSA-N"	"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1"	""	""	""
"7197"	"hydroflumethiazide"	""	"Synthetic organic"	"yes"	""	""	""	"178103772"	"3647"	""	""	"CHEMBL1763"	""	""	""	""	"1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide"	"hydroflumethiazide"	"Saluron&reg;"	"FC(c1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N)(F)F"	"DMDGGSIALPNSEE-UHFFFAOYSA-N"	"InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)"	""	""	""
"7082"	"hydromorphone"	""	"Synthetic organic"	"yes"	""	""	""	"178103661"	"5284570"	""	""	"CHEMBL398707"	""	""	""	""	"(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one"	"hydromorphone"	"Dilaudid&reg;|hydromorphone hydrochloride|Palladone&reg;"	"O=C1CC[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O"	"WVLOADHCBXTIJK-YNHQPCIGSA-N"	"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1"	""	""	""
"7198"	"hydroxychloroquine"	""	"Synthetic organic"	"yes"	""	""	""	"178103773"	"3652"	""	""	"CHEMBL1535"	""	""	""	""	"2-({4-[(7-chloroquinolin-4-yl)amino]pentyl}(ethyl)amino)ethan-1-ol"	"hydroxychloroquine"	"Dolquine&reg;|Plaquenil&reg;"	"OCCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC"	"XXSMGPRMXLTPCZ-UHFFFAOYSA-N"	"InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)"	"yes"	"yes"	""
"2468"	"hydroxycitronellal"	""	"Synthetic organic"	""	""	""	""	"53800997"	"7888"	""	""	"CHEMBL3186027"	""	""	""	""	"7-HYDROXY-3,7-DIMETHYLOCTANAL"	""	""	"O=CCC(CCCC(O)(C)C)C"	"WPFVBOQKRVRMJB-UHFFFAOYSA-N"	"InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3"	""	""	""
"8688"	"hydroxyethylamine transition-state inhibitor 1"	""	"Synthetic organic"	""	""	""	""	"252166888"	"11963503"	""	""	""	""	""	""	""	"N-[(2S,3R)-3-hydroxy-4-[(3-methylphenyl)methylamino]-1-phenylbutan-2-yl]benzo[b][1]benzoxepine-6-carboxamide"	""	""	"Cc1cccc(c1)CNC[C@H]([C@@H](NC(=O)C1=Cc2ccccc2Oc2c1cccc2)Cc1ccccc1)O"	"BNWZCXDHHPBQOX-XZWHSSHBSA-N"	"InChI=1S/C33H32N2O3/c1-23-10-9-13-25(18-23)21-34-22-30(36)29(19-24-11-3-2-4-12-24)35-33(37)28-20-26-14-5-7-16-31(26)38-32-17-8-6-15-27(28)32/h2-18,20,29-30,34,36H,19,21-22H2,1H3,(H,35,37)/t29-,30+/m0/s1"	""	""	""
"2862"	"hydroxyflutamide"	""	"Synthetic organic"	""	""	""	""	"135650359"	"91649"	""	""	"CHEMBL491"	""	""	""	""	"2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide"	""	""	"O=C(C(O)(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O"	"YPQLFJODEKMJEF-UHFFFAOYSA-N"	"InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)"	""	""	""
"7922"	"(hydroxymethylphenyl)agomelatine"	""	"Synthetic organic"	""	""	""	""	"249565605"	"9798456"	""	""	"CHEMBL476131"	""	""	""	""	"N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide"	""	"compound 21 [PMID: 18778943]"	"COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)c1cccc(c1)CO"	"BHDVJMSEODZSTD-UHFFFAOYSA-N"	"InChI=1S/C22H23NO3/c1-15(25)23-9-8-19-12-20(17-5-3-4-16(10-17)14-24)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13,24H,8-9,14H2,1-2H3,(H,23,25)"	""	""	""
"6822"	"hydroxyurea"	""	"Synthetic organic"	"yes"	""	""	""	"178103428"	"3657"	""	""	"CHEMBL467"	""	""	""	""	"hydroxyurea"	"hydroxycarbamide"	"Droxia&reg;|Hydrea&reg;|hydroxycarbamide|Siklos&reg;|SQ-1089|Xromi&reg;"	"NC(=O)NO"	"VSNHCAURESNICA-UHFFFAOYSA-N"	"InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)"	""	""	""
"7199"	"hydroxyzine"	""	"Synthetic organic"	"yes"	""	""	""	"178103774"	"3658"	""	""	"CHEMBL896"	""	""	""	""	"2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethan-1-ol"	"hydroxyzine"	"Atarax&reg;|hydroxyzine hydrochloride|hydroxyzine pamoate|Vistaril&reg;"	"OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1"	"ZQDWXGKKHFNSQK-UHFFFAOYSA-N"	"InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2"	"yes"	""	""
"13623"	"hygromycin A"	""	"Natural product"	""	""	""	""	"504705442"	"6433481"	""	""	"CHEMBL267436"	""	""	""	""	"(E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(2S,3S,4S,5S)-5-acetyl-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxyphenyl]-2-methylprop-2-enamide"	""	"homomycin|totomycin"	"C/C(=C\C1=CC(=C(C=C1)O[C@H]2[C@H]([C@@H]([C@H](O2)C(=O)C)O)O)O)/C(=O)N[C@@H]3[C@@H]([C@H]([C@@H]4[C@H]([C@@H]3O)OCO4)O)O"	"YQYJSBFKSSDGFO-IIHALWDASA-N"	"InChI=1S/C23H29NO12/c1-8(22(32)24-13-14(27)16(29)21-20(15(13)28)33-7-34-21)5-10-3-4-12(11(26)6-10)35-23-18(31)17(30)19(36-23)9(2)25/h3-6,13-21,23,26-31H,7H2,1-2H3,(H,24,32)/b8-5+/t13-,14+,15-,16-,17+,18+,19-,20+,21-,23-/m1/s1"	""	""	"yes"
"5886"	"hymeglusin"	""	"Natural product"	""	""	""	""	"178102510"	"6440895"	""	""	"CHEMBL470269"	""	""	""	""	"(2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoic acid"	""	"antibiotic 1233A|F-244|L-659,699"	"OC[C@H]1C(=O)O[C@@H]1CCCC[C@H](C/C(=C/C(=C/C(=O)O)/C)/C)C"	"ODCZJZWSXPVLAW-KXCGKLMDSA-N"	"InChI=1S/C18H28O5/c1-12(8-13(2)9-14(3)10-17(20)21)6-4-5-7-16-15(11-19)18(22)23-16/h9-10,12,15-16,19H,4-8,11H2,1-3H3,(H,20,21)/b13-9+,14-10+/t12-,15-,16-/m1/s1"	""	""	"yes"
"4101"	"hyp 9"	""	"Synthetic organic"	""	""	""	""	"178100924"	"15659415"	""	""	"CHEMBL282274"	""	""	""	""	"1-(3-hexanoyl-2,4,6-trihydroxyphenyl)hexan-1-one"	""	"2,4-(1-keto-hexyl) phloroglucinol"	"CCCCCC(=O)c1c(O)cc(c(c1O)C(=O)CCCCC)O"	"JRHOSBCIYWDGHN-UHFFFAOYSA-N"	"InChI=1S/C18H26O5/c1-3-5-7-9-12(19)16-14(21)11-15(22)17(18(16)23)13(20)10-8-6-4-2/h11,21-23H,3-10H2,1-2H3"	""	""	""
"2764"	"hyperforin"	""	"Natural product"	""	""	""	""	"135652691"	"441298"	""	""	""	""	""	""	""	"(1R,5S,6R,7S)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione"	""	""	"CC(=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(C(=O)[C@]1(C(=O)C(C)C)C(=C(C2=O)CC=C(C)C)O)CC=C(C)C)C"	"IWBJJCOKGLUQIZ-HQKKAZOISA-N"	"InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1"	""	""	""
"11248"	"hypericin"	""	"Natural product"	""	""	""	""	"434122308"	"3663"	""	""	""	""	""	""	""	""	""	""	"CC1=CC(=O)c2c3c1c1C(=CC(=O)c4c1c1c3c3c(c2O)c(O)cc(c3c2c1c(c4O)c(O)cc2O)O)C"	"YDOIFHVUBCIUHF-UHFFFAOYSA-N"	"InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3"	""	""	""
"842"	"hypoglaucin A"	""	"Natural product"	""	""	""	""	"135652692"	"71446540"	""	""	""	""	""	""	""	""	""	"(-)-hypoglaucine A"	"OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O[C@H]1C[C@H](C)[C@H]([C@H]([C@H]1O)O)O"	"SRFKCMVQTOGLCC-NSNPDTTGSA-N"	"InChI=1S/C46H74O15/c1-20-9-14-46(55-19-20)22(3)32-29(61-46)17-28-26-8-7-24-16-25(10-12-44(24,5)27(26)11-13-45(28,32)6)57-43-41(58-30-15-21(2)33(48)37(52)35(30)50)40(36(51)31(18-47)59-43)60-42-39(54)38(53)34(49)23(4)56-42/h7,20-23,25-43,47-54H,8-19H2,1-6H3/t20-,21-,22-,23-,25-,26+,27-,28-,29-,30-,31+,32-,33+,34-,35-,36+,37+,38+,39+,40-,41+,42-,43+,44-,45-,46+/m0/s1"	""	""	""
"4555"	"hypoxanthine"	""	"Metabolite"	""	""	""	""	"178101276"	"790"	""	""	"CHEMBL1427"	""	""	""	""	"6,7-dihydro-3H-purin-6-one"	""	""	"O=c1nc[nH]c2c1[nH]cn2"	"FDGQSTZJBFJUBT-UHFFFAOYSA-N"	"InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)"	""	""	""
"3578"	"[Hyp<sup>3</sup>]bradykinin"	"Human"	"Peptide"	""	""	""	""	"135651790"	"0"	"P01042"	"ENSG00000113889"	""	""	""	""	""	""	""	"[hydroxyproline<sup>3</sup>]-bradykinin|[Hyp<sup>3</sup>]-BK|[Hyp<sup>3</sup>]-bradykinin"	""	""	""	""	""	""
"3841"	"[Hyp<sup>3</sup>,Tyr(Me)<sup>8</sup>]BK"	""	"Peptide"	""	""	""	""	"178100683"	"0"	""	""	""	""	""	""	""	""	""	"[Hyp<sup>3</sup>,Tyr(Me)<sup>8</sup>]bradykinin"	""	""	""	""	""	""
"14603"	"I-116"	""	"Synthetic organic"	""	""	""	""	"530846851"	"135187074"	""	""	""	""	""	""	""	"6-chloro-N-(4-cyano-2-fluorophenyl)-1H-indole-3-sulfonamide"	""	""	"ClC1=CC=C2C(=CNC2=C1)S(=O)(=O)NC3=C(C=C(C=C3)C#N)F"	"WTVQVSRDWJPLPV-UHFFFAOYSA-N"	"InChI=1S/C15H9ClFN3O2S/c16-10-2-3-11-14(6-10)19-8-15(11)23(21,22)20-13-4-1-9(7-18)5-12(13)17/h1-6,8,19-20H"	""	""	""
"10268"	"I-191"	""	"Synthetic organic"	""	""	""	""	"381744949"	"117977934"	""	""	""	""	""	""	""	"4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one"	""	""	"Fc1ccc(cc1)c1nn2cc(nc2c(c1)C(C)(C)C)C(=O)N1CCNC(=O)C1(C)C"	"DTASTQAQBOZSRR-UHFFFAOYSA-N"	"InChI=1S/C23H26FN5O2/c1-22(2,3)16-12-17(14-6-8-15(24)9-7-14)27-29-13-18(26-19(16)29)20(30)28-11-10-25-21(31)23(28,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,25,31)"	""	""	""
"12491"	"I-287"	""	"Synthetic organic"	""	""	""	""	"479821281"	"134296695"	""	""	""	""	""	""	""	"6-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]pyridine-3-carboxylic acid"	""	""	"CC(C)(C)C1=CC(=NC2=C1OC(=C2)C(=O)N3CCN(CC3(C)C)C4=CC=C(C=N4)C(O)=O)C5=CC=C(Cl)C(F)=C5"	"WPJYZCYPCSYODL-UHFFFAOYSA-N"	"InChI=1S/C30H30ClFN4O4/c1-29(2,3)19-13-22(17-6-8-20(31)21(32)12-17)34-23-14-24(40-26(19)23)27(37)36-11-10-35(16-30(36,4)5)25-9-7-18(15-33-25)28(38)39/h6-9,12-15H,10-11,16H2,1-5H3,(H,38,39)"	""	""	""
"10210"	"I3MT-3"	""	"Synthetic organic"	""	""	""	""	"381744892"	"135412420"	""	""	""	""	""	""	""	"4-methyl-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1~{H}-pyrimidin-6-one"	""	"compound 3 [PMID: 28079151]"	"Cc1cc(=O)[nH]c(n1)SCC(=O)c1cccc2c1cccc2"	"KKPLVAUVHOSUPR-UHFFFAOYSA-N"	"InChI=1S/C17H14N2O2S/c1-11-9-16(21)19-17(18-11)22-10-15(20)14-8-4-6-12-5-2-3-7-13(12)14/h2-9H,10H2,1H3,(H,18,19,21)"	""	""	""
"10733"	"I-432"	""	"Synthetic organic"	""	""	""	""	"405067326"	"146025595"	""	""	""	""	""	""	""	"3-[(2R)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[3-(4,6-dichlorocyclohexa-1,5-dien-1-yl)benzenesulfonamido]-3-oxopropyl]benzene-1-carboximidamide"	""	"I432"	"NCCC1CCN(CC1)C(=O)[C@H](NS(=O)(=O)c1cccc(c1)C1=CCC(C=C1Cl)Cl)Cc1cccc(c1)C(=N)N"	"LMPUOHRYPACLDR-IQHZPMLTSA-N"	"InChI=1S/C29H35Cl2N5O3S/c30-23-7-8-25(26(31)18-23)21-4-2-6-24(17-21)40(38,39)35-27(16-20-3-1-5-22(15-20)28(33)34)29(37)36-13-10-19(9-12-32)11-14-36/h1-6,8,15,17-19,23,27,35H,7,9-14,16,32H2,(H3,33,34)/t23?,27-/m1/s1"	""	""	""
"4217"	"IAA-94"	""	"Synthetic organic"	""	""	""	""	"178101034"	"3667"	""	""	"CHEMBL79956"	""	""	""	""	"2-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]acetic acid"	""	"indanyloxyacetic acid 94|MK-473"	"OC(=O)COc1cc2CC(C(=O)c2c(c1Cl)Cl)(C)C1CCCC1"	"RNOJGTHBMJBOSP-UHFFFAOYSA-N"	"InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21)"	""	""	""
"458"	"I-ABA"	""	"Synthetic organic"	""	""	""	""	"135650360"	"125348"	""	""	""	""	""	""	""	"(2R,3R,4S,5R)-2-[6-[(4-amino-3-iodophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	""	"IABA|N6-(4-amino-3-iodobenzyl)adenosine"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(c(c1)I)N"	"REGZQZHKIFOMRK-LSCFUAHRSA-N"	"InChI=1S/C17H19IN6O4/c18-9-3-8(1-2-10(9)19)4-20-15-12-16(22-6-21-15)24(7-23-12)17-14(27)13(26)11(5-25)28-17/h1-3,6-7,11,13-14,17,25-27H,4-5,19H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1"	""	""	""
"446"	"I-ABOPX"	""	"Synthetic organic"	""	""	""	""	"135650361"	"163889"	""	""	"CHEMBL355370"	""	""	""	""	"2-[4-[3-[(4-amino-3-iodophenyl)methyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetic acid"	""	"BW-A522"	"CCCn1c(=O)c2[nH]c(nc2n(c1=O)Cc1ccc(c(c1)I)N)c1ccc(cc1)OCC(=O)O"	"DKJMGIXWGPEEFF-UHFFFAOYSA-N"	"InChI=1S/C23H22IN5O5/c1-2-9-28-22(32)19-21(29(23(28)33)11-13-3-8-17(25)16(24)10-13)27-20(26-19)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31)"	""	""	""
"12909"	"IACS-52825"	""	"Synthetic organic"	""	""	""	""	"485206030"	"156274380"	""	""	""	""	""	""	""	"(1R)-1-[4-[6-amino-5-(trifluoromethoxy)pyridin-3-yl]-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol"	""	"compound 22 [PMID: 37436942]|IACS52825"	"NC1=NC=C(C2=CN(C34CC(C3)(F)C4)C([C@@H](O)C(F)(F)F)=N2)C=C1OC(F)(F)F"	"XUOJHVFYSAMHNK-GWMXKSKGSA-N"	"InChI=1S/C16H13F7N4O2/c17-13-4-14(5-13,6-13)27-3-8(26-12(27)10(28)15(18,19)20)7-1-9(11(24)25-2-7)29-16(21,22)23/h1-3,10,28H,4-6H2,(H2,24,25)/t10-,13?,14?/m1/s1"	""	""	""
"11192"	"IACS-9439"	""	"Synthetic organic"	""	""	""	""	"434122252"	"154025209"	""	""	""	""	""	""	""	"(1S,2S)-2-[[7-chloro-4-methoxy-6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol"	""	"compound 1 [PMID: 32787110]"	"COc1cc(OCc2ccnc(n2)Nc2cnn(c2)C)c(c2c1nc(s2)N[C@H]1CCCC[C@@H]1O)Cl"	"JYFJGEOXSQLPMB-HOTGVXAUSA-N"	"InChI=1S/C23H26ClN7O3S/c1-31-11-14(10-26-31)28-22-25-8-7-13(27-22)12-34-17-9-18(33-2)20-21(19(17)24)35-23(30-20)29-15-5-3-4-6-16(15)32/h7-11,15-16,32H,3-6,12H2,1-2H3,(H,29,30)(H,25,27,28)/t15-,16-/m0/s1"	""	""	""
"13367"	"IAG933"	""	"Synthetic organic"	""	""	""	""	"496703337"	"156855755"	""	""	""	""	""	""	""	"4-[(2S)-5-chloro-6-fluoro-2-phenyl-2-[(2S)-pyrrolidin-2-yl]-3H-1-benzofuran-4-yl]-5-fluoro-6-(2-hydroxyethoxy)-N-methylpyridine-3-carboxamide"	""	"IAG-933|NVP-IAG933"	"CNC(=O)C1=CN=C(C(=C1C2=C3C[C@@](OC3=CC(=C2Cl)F)([C@@H]4CCCN4)C5=CC=CC=C5)F)OCCO"	"HUVOYQMXUNTUAI-DCFHFQCYSA-N"	"InChI=1S/C27H26ClF2N3O4/c1-31-25(35)17-14-33-26(36-11-10-34)24(30)22(17)21-16-13-27(20-8-5-9-32-20,15-6-3-2-4-7-15)37-19(16)12-18(29)23(21)28/h2-4,6-7,12,14,20,32,34H,5,8-11,13H2,1H3,(H,31,35)/t20-,27-/m0/s1"	""	""	""
"14471"	"IAM1363"	""	"Synthetic organic"	""	""	""	""	"528429792"	"170967296"	""	""	""	""	""	""	""	"(E)-4-(dimethylamino)-1-[4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-1-yl]but-2-en-1-one"	""	"Example 21 [US20250276983]|IAM-1363"	"CC1=C(C=CC(=C1)NC2=NC=NN3C2=C(C=C3)C4CCN(CC4)C(=O)/C=C/CN(C)C)OC5=CC6=NC=NN6C=C5"	"ILNQLWGODADTLL-SNAWJCMRSA-N"	"InChI=1S/C30H33N9O2/c1-21-17-23(6-7-26(21)41-24-10-15-38-27(18-24)31-19-33-38)35-30-29-25(11-16-39(29)34-20-32-30)22-8-13-37(14-9-22)28(40)5-4-12-36(2)3/h4-7,10-11,15-20,22H,8-9,12-14H2,1-3H3,(H,32,34,35)/b5-4+"	""	""	""
"13840"	"IAMA-6"	""	"Synthetic organic"	""	""	""	""	"513757525"	"155180028"	""	""	"CHEMBL5076111"	""	""	""	""	"3-(dimethylsulfamoyl)-4-(8,8,8-trifluorooctylamino)benzoic acid"	""	""	"CN(C)S(=O)(=O)C1=C(NCCCCCCCC(F)(F)F)C=CC(=C1)C(O)=O"	"ZAJDYPRGNPKHEI-UHFFFAOYSA-N"	"InChI=1S/C17H25F3N2O4S/c1-22(2)27(25,26)15-12-13(16(23)24)8-9-14(15)21-11-7-5-3-4-6-10-17(18,19)20/h8-9,12,21H,3-7,10-11H2,1-2H3,(H,23,24)"	""	""	""
"10656"	"ianalumab"	""	"Antibody"	""	""	""	""	"404859103"	"0"	""	""	""	""	""	""	""	""	"ianalumab"	"VAY-736|VAY736"	""	""	""	"yes"	""	""
"13674"	"IBA"	""	"Synthetic organic"	""	""	""	""	"507750308"	"172635989"	""	""	""	""	""	""	""	"4-chloro-2-[[2-(3-iodophenoxy)acetyl]amino]benzoic acid"	""	""	"ClC1=CC(=C(C(=O)O)C=C1)NC(COC2=CC(=CC=C2)I)=O"	"BLZUECRUYVEGBF-UHFFFAOYSA-N"	"InChI=1S/C15H11ClINO4/c16-9-4-5-12(15(20)21)13(6-9)18-14(19)8-22-11-3-1-2-10(17)7-11/h1-7H,8H2,(H,18,19)(H,20,21)"	""	""	""
"10819"	"ibafloxacin"	""	"Synthetic organic"	""	""	""	""	"405560260"	"71186"	""	""	"CHEMBL170052"	""	""	""	""	""	"ibafloxacin"	"R-835|R835|S-25930|S25930"	"OC(=O)c1cn2C(C)CCc3c2c(c1=O)cc(c3C)F"	"DXKRGNXUIRKXNR-UHFFFAOYSA-N"	"InChI=1S/C15H14FNO3/c1-7-3-4-9-8(2)12(16)5-10-13(9)17(7)6-11(14(10)18)15(19)20/h5-7H,3-4H2,1-2H3,(H,19,20)"	""	""	"yes"
"10208"	"ibalizumab"	""	"Antibody"	"yes"	""	""	""	"381744890"	"0"	""	""	""	""	""	""	""	""	"ibalizumab"	"Hu5A8|ibalizumab-uiyk|TMB-355|TMB355|TNX-355|Trogarzo&reg;"	""	""	""	"yes"	""	""
"3059"	"ibandronic acid"	""	"Synthetic organic"	"yes"	"yes"	""	""	"135649664"	"60852"	""	""	"CHEMBL997"	""	""	""	""	"{1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonic acid"	"ibandronic acid"	"Bondronat&reg;|Boniva&reg;|ibandronate"	"CCCCCN(CCC(P(=O)(O)O)(P(=O)(O)O)O)C"	"MPBVHIBUJCELCL-UHFFFAOYSA-N"	"InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)"	""	""	""
"1597"	"IBC 293"	""	"Synthetic organic"	""	""	""	""	"135649667"	"2736690"	""	""	"CHEMBL381638"	""	""	""	""	"1-propan-2-ylbenzotriazole-5-carboxylic acid"	""	"IBC-293|IBC293"	"OC(=O)c1ccc2c(c1)nnn2C(C)C"	"RUTVRAJKELSHCC-UHFFFAOYSA-N"	"InChI=1S/C10H11N3O2/c1-6(2)13-9-4-3-7(10(14)15)5-8(9)11-12-13/h3-6H,1-2H3,(H,14,15)"	""	""	""
"10475"	"ibcasertib"	""	"Synthetic organic"	""	""	""	""	"385612234"	"49779393"	""	""	""	""	""	""	""	"N-(2-aminophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide"	""	"chiauranib (pseudo INN)|CS-2164|CS2164|example 32 [US20100298358A1]"	"COc1ccc2c(c1)nccc2Oc1ccc2c(c1)cccc2C(=O)Nc1ccccc1N"	"BRKWREZNORONDU-UHFFFAOYSA-N"	"InChI=1S/C27H21N3O3/c1-32-18-9-12-22-25(16-18)29-14-13-26(22)33-19-10-11-20-17(15-19)5-4-6-21(20)27(31)30-24-8-3-2-7-23(24)28/h2-16H,28H2,1H3,(H,30,31)"	""	""	""
"9618"	"iberdomide"	""	"Synthetic organic"	"yes"	""	""	""	"340590248"	"67335295"	""	""	""	""	""	""	""	"(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione"	"iberdomide"	"CC-220|compound 6 [PMID: 28425720]|Zenbexus&reg;"	"O=C1CC[C@@H](C(=O)N1)N1Cc2c(C1=O)cccc2OCc1ccc(cc1)CN1CCOCC1"	"IXZOHGPZAQLIBH-NRFANRHFSA-N"	"InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1"	"yes"	""	""
"4218"	"iberiotoxin"	""	"Peptide"	""	""	""	""	"178101035"	"16132435"	"P24663"	""	""	""	""	""	""	"2-(2-{[10-(6-amino-2-{6-amino-2-[2-(2-{[7,34-bis(4-aminobutyl)-37-{2-[2-(2-{[10-(4-aminobutyl)-22-(3-carboxy-2-{2-[3-carboxy-2-(3-hydroxy-2-{2-[(5-oxopyrrolidin-2-yl)formamido]-3-phenylpropanamido}butanamido)propanamido]-3-methylbutanamido}propanamido)-7-(2-carboxyethyl)-13,19-bis(hydroxymethyl)-6,9,12,15,18,21-hexaoxo-16-(propan-2-yl)-1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosan-4-yl]formamido}-3-(1H-indol-3-yl)propanamido)-3-hydroxypropanamido]-3-methylbutanamido}-25-benzyl-13-(3-carbamimidamidopropyl)-16,31-bis(carboxymethyl)-28-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-19-(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontan-4-yl]formamido}-4-(methylsulfanyl)butanamido)acetamido]hexanamido}hexanamido)-7-(3-carbamimidamidopropyl)-6,9-dioxo-1,2-dithia-5,8-diazacycloundecan-4-yl]formamido}-3-(4-hydroxyphenyl)propanamido)-4-carbamoylbutanoic acid"	""	"IbTX"	"NCCCCC1NC(=O)C(CSSCC(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC(=O)O)CC(C)C)Cc1ccccc1)C(C)C)CC(=O)O)C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC1CSSCC(NC(=O)C(NC1=O)CCCNC(=N)N)C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)N)Cc1ccc(cc1)O)CCCCN)CCCCN)CCSC)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C1CSSCC(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C2CCC(=O)N2)Cc2ccccc2)CC(=O)O)CC(=O)O)C(=O)NC(CO)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCC(=O)O)CCCCN)CO)C(C)C)CO"	"VDNVVLOBNHIMQA-UHFFFAOYSA-N"	"InChI=1S/C179H274N50O55S7/c1-87(2)65-111-155(261)208-112(66-93-33-15-13-16-34-93)146(252)195-77-133(239)225-139(88(3)4)172(278)213-117(71-136(244)245)158(264)199-100(44-31-62-190-178(186)187)144(250)193-75-131(237)198-102(40-22-27-58-181)148(254)219-124(167(273)205-109(56-64-285-12)145(251)194-76-132(238)197-101(39-21-26-57-180)147(253)200-105(43-25-30-61-184)151(257)220-123-81-286-288-83-125(221-152(258)106(203-166(123)272)45-32-63-191-179(188)189)169(275)210-113(68-95-46-48-97(234)49-47-95)156(262)206-110(177(283)284)50-53-129(185)235)82-287-291-86-128(168(274)202-104(42-24-29-60-183)150(256)212-116(70-135(242)243)159(265)207-111)224-175(281)142(91(9)10)228-164(270)121(79-231)216-157(263)115(69-96-74-192-99-38-20-19-37-98(96)99)211-170(276)126-84-289-290-85-127(171(277)217-122(80-232)165(271)227-141(90(7)8)174(280)218-120(78-230)163(269)201-103(41-23-28-59-182)149(255)204-108(154(260)222-126)52-55-134(240)241)223-160(266)118(72-137(246)247)214-173(279)140(89(5)6)226-162(268)119(73-138(248)249)215-176(282)143(92(11)233)229-161(267)114(67-94-35-17-14-18-36-94)209-153(259)107-51-54-130(236)196-107/h13-20,33-38,46-49,74,87-92,100-128,139-143,192,230-234H,21-32,39-45,50-73,75-86,180-184H2,1-12H3,(H2,185,235)(H,193,250)(H,194,251)(H,195,252)(H,196,236)(H,197,238)(H,198,237)(H,199,264)(H,200,253)(H,201,269)(H,202,274)(H,203,272)(H,204,255)(H,205,273)(H,206,262)(H,207,265)(H,208,261)(H,209,259)(H,210,275)(H,211,276)(H,212,256)(H,213,278)(H,214,279)(H,215,282)(H,216,263)(H,217,277)(H,218,280)(H,219,254)(H,220,257)(H,221,258)(H,222,260)(H,223,266)(H,224,281)(H,225,239)(H,226,268)(H,227,271)(H,228,270)(H,229,267)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,283,284)(H4,186,187,190)(H4,188,189,191)"	"yes"	""	""
"7518"	"I-BET151"	""	"Synthetic organic"	""	""	""	""	"187051820"	"52912189"	""	""	"CHEMBL2017291"	""	""	""	""	"7-(dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-(pyridin-2-yl)ethyl]-1H,2H,3H-imidazo[4,5-c]quinolin-2-one"	""	"GSK1210151A"	"COc1cc2c(cc1c1c(C)noc1C)ncc1c2n(c(=O)[nH]1)[C@@H](c1ccccn1)C"	"VUVUVNZRUGEAHB-CYBMUJFWSA-N"	"InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1"	""	""	""
"12717"	"I-BET282"	""	"Synthetic organic"	""	""	""	""	"483123265"	"162641836"	""	""	""	""	""	""	""	"methanesulfonic acid;4-[8-methoxy-1-[(2R)-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole"	""	"compound 32 [PMID: 34387088]"	"CC1=NOC(C)=C1C=2C=C3N=CC4=C(N([C@@H](COC)C)C(C5CCOCC5)=N4)C3=CC2OC"	"HYPXHDJBILNWLI-CQSZACIVSA-N"	"InChI=1S/C25H30N4O4/c1-14(13-30-4)29-24-18-11-22(31-5)19(23-15(2)28-33-16(23)3)10-20(18)26-12-21(24)27-25(29)17-6-8-32-9-7-17/h10-12,14,17H,6-9,13H2,1-5H3/t14-/m1/s1"	""	""	""
"11030"	"ibezapolstat"	""	"Synthetic organic"	""	""	""	""	"405560471"	"136022209"	""	""	"CHEMBL4571518"	""	""	""	""	"2-[(3,4-dichlorophenyl)methylamino]-7-(2-morpholin-4-ylethyl)-1H-purin-6-one"	"ibezapolstat"	"ACX-362E|ACX362E"	"Clc1ccc(cc1Cl)CNc1nc2ncn(c2c(=O)[nH]1)CCN1CCOCC1"	"DEGSGBKTODESHH-UHFFFAOYSA-N"	"InChI=1S/C18H20Cl2N6O2/c19-13-2-1-12(9-14(13)20)10-21-18-23-16-15(17(27)24-18)26(11-22-16)4-3-25-5-7-28-8-6-25/h1-2,9,11H,3-8,10H2,(H2,21,23,24,27)"	""	""	"yes"
"9234"	"ibipinabant"	""	"Synthetic organic"	""	""	""	""	"315661309"	"9826744"	""	""	"CHEMBL412262"	""	""	""	""	"(4S)-3-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-4,5-dihydropyrazole-1-carboximidamide"	"ibipinabant"	"BMS-646256|SLV319"	"CN=C(N1N=C([C@H](C1)c1ccccc1)c1ccc(cc1)Cl)NS(=O)(=O)c1ccc(cc1)Cl"	"AXJQVVLKUYCICH-OAQYLSRUSA-N"	"InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m1/s1"	""	""	""
"1028"	"i-Boc-Met-Leu-Phe"	""	"Peptide"	""	""	""	""	"135652195"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2117"	"ibodutant"	""	"Synthetic organic"	""	""	""	""	"135650578"	"11527495"	""	""	"CHEMBL266125"	""	""	""	""	"6-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide"	"ibodutant"	"MEN 15596"	"O=C([C@H](NC(=O)C1(CCCC1)NC(=O)c1cc2c(s1)cc(cc2)C)Cc1ccccc1)NCC1CCN(CC1)CC1CCOCC1"	"YQYSVMKCMIUCHY-WJOKGBTCSA-N"	"InChI=1S/C37H48N4O4S/c1-26-9-10-30-23-33(46-32(30)21-26)35(43)40-37(15-5-6-16-37)36(44)39-31(22-27-7-3-2-4-8-27)34(42)38-24-28-11-17-41(18-12-28)25-29-13-19-45-20-14-29/h2-4,7-10,21,23,28-29,31H,5-6,11-20,22,24-25H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1"	""	""	""
"13148"	"ibogaine"	""	"Natural product"	""	""	""	""	"491299930"	"197060"	""	""	"CHEMBL1215855"	""	""	""	""	""	""	"(-)-Ibogaine|(5&beta;)-12-methoxyibogamine|12-Methoxyibogamine"	"CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC"	"HSIBGVUMFOSJPD-CFDPKNGZSA-N"	"InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1"	""	""	""
"1938"	"I-BOP"	""	"Synthetic organic"	""	""	""	""	"135650364"	"5311175"	""	""	"CHEMBL2113346"	""	""	""	""	"(Z)-7-[(1S,4R,5R,6R)-5-[(E,3R)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid"	""	""	"OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@H](COc1ccc(cc1)I)O)O2"	"UYFMSCHBODMWON-HBHIRWTLSA-N"	"InChI=1S/C23H29IO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19-,20-,21+,22-/m1/s1"	""	""	""
"1371"	"ibotenic acid"	""	"Natural product"	""	""	""	""	"135652693"	"1233"	""	""	"CHEMBL284895"	""	""	""	""	"2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid"	""	"ibotenate"	"OC(=O)C(c1o[nH]c(=O)c1)N"	"IRJCBFDCFXCWGO-UHFFFAOYSA-N"	"InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)"	""	""	""
"11790"	"iboxamycin"	""	"Synthetic organic"	""	""	""	""	"458923825"	"162366972"	""	""	""	""	""	""	""	"(4S,5aS,8S,8aR)-N-[(1S,2S)-2-chloro-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl]-4-(2-methylpropyl)-octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide"	""	"IBX|OPP-3"	"[C@H]12CN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]3OC(SC)[C@H](O)[C@H](O)C3O)[C@@H]1OCC[C@@H](CC(C)C)C2"	"JPCLUJPDWMBCAA-ALYUFWCISA-N"	"InChI=1S/C22H39ClN2O6S/c1-10(2)7-12-5-6-30-19-13(8-12)9-24-15(19)21(29)25-14(11(3)23)20-17(27)16(26)18(28)22(31-20)32-4/h10-20,22,24,26-28H,5-9H2,1-4H3,(H,25,29)/t11-,12-,13-,14+,15-,16+,17?,18+,19+,20-,22?/m0/s1"	""	""	"yes"
"8397"	"I-BRD9"	""	"Synthetic organic"	""	""	""	""	"252166608"	"91668541"	""	""	""	""	""	""	""	"N-(1,1-dioxo-1&lambda;<small><sup>6</sup></small>-thian-4-yl)-5-ethyl-4-oxo-7-[3-(trifluoromethyl)phenyl]-4H,5H-thieno[3,2-c]pyridine-2-carboximidamide"	""	"compound 45 [PMID 25856009]|GSK602"	"CCn1cc(c2cccc(c2)C(F)(F)F)c2c(c1=O)cc(s2)C(=N)NC1CCS(=O)(=O)CC1"	"WRUWGLUCNBMGPS-UHFFFAOYSA-N"	"InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27)"	""	""	""
"6777"	"ibritumomab tiuxetan"	""	"Antibody"	"yes"	""	""	""	"178103383"	"0"	""	""	""	""	""	""	""	""	"ibritumomab tiuxetan"	"IDEC-2B8|IDEC-Y2B8-yttrium ibritumomab tiuxetan|NSC-715848|Zevalin&reg;"	""	""	""	"yes"	""	""
"6912"	"ibrutinib"	""	"Synthetic organic"	"yes"	""	""	""	"178103494"	"24821094"	""	""	"CHEMBL1873475"	""	""	""	""	"1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one"	"ibrutinib"	"Imbruvica&reg;|PCI-32765"	"C=CC(=O)N1CCC[C@H](C1)n1nc(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1"	"XYFPWWZEPKGCCK-GOSISDBHSA-N"	"InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1"	"yes"	""	""
"7399"	"ibudilast"	""	"Synthetic organic"	"yes"	""	""	""	"178103971"	"3671"	""	""	"CHEMBL19449"	""	""	""	""	"2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one"	"ibudilast"	"AV-411|KC-404|Ketas&reg;|MN-166"	"CC(C(=O)c1c(nn2c1cccc2)C(C)C)C"	"ZJVFLBOZORBYFE-UHFFFAOYSA-N"	"InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3"	"yes"	""	""
"2713"	"ibuprofen"	""	"Synthetic organic"	"yes"	""	""	""	"135650365"	"3672"	""	""	"CHEMBL521"	""	""	""	""	"2-[4-(2-methylpropyl)phenyl]propanoic acid"	"ibuprofen"	"Advil&reg;|Brufen&reg;|ibuprofen lysine|ibuprofen sodium|Motrin&reg;|Nurofen&reg;|U-18573"	"CC(Cc1ccc(cc1)C(C(=O)O)C)C"	"HEFNNWSXXWATRW-UHFFFAOYSA-N"	"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)"	"yes"	""	""
"5867"	"ibutamoren"	""	"Synthetic organic"	""	""	""	""	"178102491"	"178024"	""	""	"CHEMBL13817"	""	""	""	""	"2-amino-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide"	"ibutamoren"	"ibutamoren mesylate|L-163,191|MK-0677|MK677"	"O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C"	"UMUPQWIGCOZEOY-JOCHJYFZSA-N"	"InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1"	""	""	""
"7200"	"ibutilide"	""	"Synthetic organic"	"yes"	""	""	""	"178103775"	"60753"	""	""	"CHEMBL533"	""	""	""	""	"N-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide"	"ibutilide"	"Corvert&reg;|U-70226E"	"CCCCCCCN(CCCC(c1ccc(cc1)NS(=O)(=O)C)O)CC"	"ALOBUEHUHMBRLE-UHFFFAOYSA-N"	"InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3"	""	""	""
"12897"	"ibuzatrelvir"	""	"Synthetic organic"	""	""	""	""	"485206018"	"163362000"	""	""	""	""	""	""	""	"methyl N-[(2S)-1-[(2S,4R)-2-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]carbamoyl]-4-(trifluoromethyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate"	"ibuzatrelvir"	"compound 9 [PMID: 38687966]|Example 95 [US20220257563]|N-(Methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-4-(trifluoromethyl)-L-prolinamide|PF-07817883|PF07817883"	"COC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C[C@@H]2CCNC2=O)C#N)C(F)(F)F)C(C)(C)C"	"WGNWEPPRWQKSKI-AIEDFZFUSA-N"	"InChI=1S/C21H30F3N5O5/c1-20(2,3)15(28-19(33)34-4)18(32)29-10-12(21(22,23)24)8-14(29)17(31)27-13(9-25)7-11-5-6-26-16(11)30/h11-15H,5-8,10H2,1-4H3,(H,26,30)(H,27,31)(H,28,33)/t11-,12+,13-,14-,15+/m0/s1"	""	""	""
"10374"	"I-C11"	""	"Synthetic organic"	""	""	""	""	"384403654"	"25262525"	""	""	"CHEMBL260920"	""	""	""	""	"6-hydroxy-3-[1-[4-(naphthalen-1-ylamino)-4-oxobutyl]triazol-4-yl]-2-phenyl-1-benzofuran-5-carboxylic acid"	""	""	"O=C(Nc1cccc2c1cccc2)CCCn1nnc(c1)c1c(oc2c1cc(C(=O)O)c(c2)O)c1ccccc1"	"RSPKMGDZBNPGGF-UHFFFAOYSA-N"	"InChI=1S/C31H24N4O5/c36-26-17-27-23(16-22(26)31(38)39)29(30(40-27)20-9-2-1-3-10-20)25-18-35(34-33-25)15-7-14-28(37)32-24-13-6-11-19-8-4-5-12-21(19)24/h1-6,8-13,16-18,36H,7,14-15H2,(H,32,37)(H,38,39)"	"yes"	""	""
"5985"	"IC261"	""	"Synthetic organic"	""	""	""	""	"178102608"	"3674"	""	""	"CHEMBL576349"	""	""	""	""	"3-[(2,4,6-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one"	""	"IC 261|IC-261"	"COc1cc(OC)cc(c1C=C1C(=O)Nc2c1cccc2)OC"	"JBJYTZXCZDNOJW-UHFFFAOYSA-N"	"InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)"	""	""	""
"9376"	"IC-87114"	""	"Synthetic organic"	""	""	""	""	"328083478"	"9908783"	""	""	"CHEMBL1213082"	""	""	""	""	"2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one"	""	"IC87114"	"Nc1ncnc2c1ncn2Cc1nc2cccc(c2c(=O)n1c1ccccc1C)C"	"GNWHRHGTIBRNSM-UHFFFAOYSA-N"	"InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)"	"yes"	""	""
"14111"	"ICA-069673"	""	"Synthetic organic"	""	""	""	""	"518520738"	"10149311"	""	""	"CHEMBL2047521"	""	""	""	""	"N-(2-chloropyrimidin-5-yl)-3,4-difluorobenzamide"	""	"compound 51 [PMID: 24900334]|ICA069673"	"C1=CC(=C(C=C1C(=O)NC2=CN=C(N=C2)Cl)F)F"	"IIBSHMFXVWTQSJ-UHFFFAOYSA-N"	"InChI=1S/C11H6ClF2N3O/c12-11-15-4-7(5-16-11)17-10(18)6-1-2-8(13)9(14)3-6/h1-5H,(H,17,18)"	""	""	""
"7656"	"ICA-105574"	""	"Synthetic organic"	""	""	""	""	"223365991"	"715924"	""	""	""	""	""	""	""	"3-nitro-N-[4-(phenoxy)phenyl]benzamide"	""	"ICA 105574|ICA105574"	"O=C(c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)Oc1ccccc1"	"GDWKBKTVROCPNZ-UHFFFAOYSA-N"	"InChI=1S/C19H14N2O4/c22-19(14-5-4-6-16(13-14)21(23)24)20-15-9-11-18(12-10-15)25-17-7-2-1-3-8-17/h1-13H,(H,20,22)"	""	""	""
"14012"	"ICA-121431"	""	"Synthetic organic"	""	""	""	""	"518520639"	"998021"	""	""	"CHEMBL3617053"	""	""	""	""	"2,2-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide"	""	"ICA 121431|ICA121431"	"C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4"	"URSQNPPONHUJDL-UHFFFAOYSA-N"	"InChI=1S/C23H19N3O3S2/c27-22(21(17-7-3-1-4-8-17)18-9-5-2-6-10-18)25-19-11-13-20(14-12-19)31(28,29)26-23-24-15-16-30-23/h1-16,21H,(H,24,26)(H,25,27)"	""	""	""
"7667"	"ICA-27243"	""	"Synthetic organic"	""	""	""	""	"223366002"	"9903497"	""	""	"CHEMBL402146"	""	""	""	""	"N-(6-chloropyridin-3-yl)-3,4-difluorobenzamide"	""	"ICA 27243|ICA27243"	"Clc1ccc(cn1)NC(=O)c1ccc(c(c1)F)F"	"GDGUOCFTHNGPBK-UHFFFAOYSA-N"	"InChI=1S/C12H7ClF2N2O/c13-11-4-2-8(6-16-11)17-12(18)7-1-3-9(14)10(15)5-7/h1-6H,(H,17,18)"	""	""	""
"6757"	"ICAM-1"	"Human"	"Peptide"	""	""	""	""	"178103368"	"0"	"P05362"	"ENSG00000090339"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6756"	"ICAM-2"	"Human"	"Peptide"	""	""	""	""	"178103367"	"0"	"P13598"	"ENSG00000108622"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"12098"	"icanbelimod"	""	"Synthetic organic"	""	""	""	""	"472319220"	"117972004"	""	""	"CHEMBL4097139"	""	""	""	""	"1-[[2-fluoro-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid"	"icanbelimod"	"compound 2 [WO2015039587A1]|S1p-receptor-agonist-1|YUN88562"	"Fc1c(ccc(c1)c1noc(n1)c1ccc(cc1)CC(C)C)CN1CC(C1)C(=O)O"	"YBIFMTGYWXNIRZ-UHFFFAOYSA-N"	"InChI=1S/C23H24FN3O3/c1-14(2)9-15-3-5-16(6-4-15)22-25-21(26-30-22)17-7-8-18(20(24)10-17)11-27-12-19(13-27)23(28)29/h3-8,10,14,19H,9,11-13H2,1-2H3,(H,28,29)"	"yes"	""	""
"13728"	"icariin"	""	"Natural product"	""	""	""	""	"507750362"	"5318997"	""	""	"CHEMBL553204"	""	""	""	""	"5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one"	""	""	"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O)O"	"TZJALUIVHRYQQB-XLRXWWTNSA-N"	"InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32-,33+/m0/s1"	""	""	""
"10686"	"icariside II"	""	"Natural product"	""	""	""	""	"404859133"	"5488822"	""	""	""	""	""	""	""	"5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one"	""	"baohuoside I"	"COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O"	"NGMYNFJANBHLKA-LVKFHIPRSA-N"	"InChI=1S/C27H30O10/c1-12(2)5-10-16-17(28)11-18(29)19-21(31)26(37-27-23(33)22(32)20(30)13(3)35-27)24(36-25(16)19)14-6-8-15(34-4)9-7-14/h5-9,11,13,20,22-23,27-30,32-33H,10H2,1-4H3/t13-,20-,22+,23+,27-/m0/s1"	""	""	""
"13358"	"iCARM1"	""	"Synthetic organic"	""	""	""	""	"496703328"	"50985208"	""	""	""	""	""	""	""	"2-[4-[5-(furan-3-yl)-4-(4-methylphenyl)pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine"	""	"WLZ3370"	"CC1=CC=C(C=C1)C2=NC(=NC=C2C3=COC=C3)N4CCN(CC4)CCN(C)C"	"VMPLYSNCOLJRCV-UHFFFAOYSA-N"	"InChI=1S/C23H29N5O/c1-18-4-6-19(7-5-18)22-21(20-8-15-29-17-20)16-24-23(25-22)28-13-11-27(12-14-28)10-9-26(2)3/h4-8,15-17H,9-14H2,1-3H3"	""	""	""
"11179"	"IcatC<sub>XPZ-01</sub>"	""	"Synthetic organic"	""	""	""	""	"434122239"	"66550979"	""	""	""	""	""	""	""	"(2S)-2-amino-N-[(1R,2R)-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]butanamide"	""	"compound 8a [PMID: 30978322]|XPZ-01"	"CC[C@@H](C(=O)N[C@]1(C#N)C[C@@H]1c1ccc(cc1)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C)N"	"LJIOTBMDLVHTBO-CUYJMHBOSA-N"	"InChI=1S/C25H31N5O3S/c1-3-23(27)24(31)28-25(17-26)16-22(25)20-6-4-18(5-7-20)19-8-10-21(11-9-19)34(32,33)30-14-12-29(2)13-15-30/h4-11,22-23H,3,12-16,27H2,1-2H3,(H,28,31)/t22-,23+,25+/m1/s1"	"yes"	""	""
"667"	"icatibant"	""	"Peptide"	"yes"	""	""	""	"135652196"	"71364"	""	""	"CHEMBL2028850"	""	""	""	""	"(N-(N-(D-arginyl-DL-arginyl-DL-prolyl-(4R)-4-hydroxy-DL-prolyl-glycyl-3-(2-thienyl)-L-alanyl-L-seryl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-(3aS,7aS)-octahydroindole-2-carbonyl)-L-arginine"	"icatibant"	"<small>D</small>-Arg-[Hyp<sup>3</sup>,Thi<sup>5</sup>,<small>D</small>-Tic<sup>7</sup>,Oic<sup>8</sup>]BK|Firazyr&reg;|HOE 140|HOE140"	"OC[C@@H](C(=O)N1Cc2ccccc2CC1C(=O)N1[C@H]2CCCC[C@H]2CC1C(=O)N[C@H](C(=O)O)CCCN=C(N)N)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)C1C[C@H](CN1C(=O)C1CCCN1C(=O)C(NC(=O)[C@@H](CCCN=C(N)N)N)CCCN=C(N)N)O"	"QURWXBZNHXJZBE-MCDGZUPGSA-N"	"InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38?,39-,40-,41-,42-,43?,44?,45?,46?/m0/s1"	"yes"	""	""
"8236"	"I-CBP112"	""	"Synthetic organic"	""	""	""	""	"249565916"	"90488984"	""	""	""	""	""	""	""	"1-[7-(3,4-dimethoxyphenyl)-9-{[(3S)-1-methylpiperidin-3-yl]methoxy}-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl]propan-1-one"	""	""	"CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C1)C)c1ccc(c(c1)OC)OC"	"YKNAKDFZAWQEEO-IBGZPJMESA-N"	"InChI=1S/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3/t19-/m0/s1"	""	""	""
"12238"	"ICeD-2"	""	"Synthetic organic"	""	""	""	""	"473153826"	"164946726"	""	""	""	""	""	""	""	"(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone"	""	"Inducer of cell death-2"	"C1CCN(C1)C1CCC(CC1)[C@@H](C(=O)N1Cc2ccccc2C1)N"	"SYXDQNGJEXFDND-PPSBMQLTSA-N"	"InChI=1S/C20H29N3O/c21-19(15-7-9-18(10-8-15)22-11-3-4-12-22)20(24)23-13-16-5-1-2-6-17(16)14-23/h1-2,5-6,15,18-19H,3-4,7-14,21H2/t15?,18?,19-/m0/s1"	""	""	""
"11547"	"icenticaftor"	""	"Synthetic organic"	""	""	""	""	"441604919"	"58442344"	""	""	""	""	""	""	""	"3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide"	"icenticaftor"	"compound 33 [PMID: 34028270]|QBW-251|QBW251"	"COc1nc(C(=O)NC[C@@](C(F)(F)F)(O)C)c(cc1C(F)(F)F)N"	"USHQRIKZLHNPQR-JTQLQIEISA-N"	"InChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)/t10-/m0/s1"	""	""	""
"13263"	"icerguastat"	""	"Synthetic organic"	""	""	""	""	"491300045"	"9561611"	""	""	"CHEMBL2365743"	""	""	""	""	"2-[(E)-(2-chlorophenyl)methylideneamino]guanidine"	"icerguastat"	"IFB-088|IFB088|Sephin-1|Sephin1"	"C1=CC=C(C(=C1)/C=N/N=C(N)N)Cl"	"PDWJALXSRRSUHR-LFYBBSHMSA-N"	"InChI=1S/C8H9ClN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)/b12-5+"	""	""	""
"543"	"ICI118551"	""	"Synthetic organic"	""	""	""	""	"135650367"	"5311179"	""	""	"CHEMBL1233766"	""	""	""	""	"(2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol"	""	"ICI 118551|ICI-118,551|ICI-118551"	"Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O"	"VFIDUCMKNJIJTO-XJKSGUPXSA-N"	"InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16+/m0/s1"	""	""	""
"273"	"ICI 169369"	""	"Synthetic organic"	""	""	""	""	"135650368"	"122265"	""	""	"CHEMBL1191534"	""	""	""	""	"N,N-dimethyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine"	""	"ICI-169,369|ICI-169369"	"CN(CCSc1nc2ccccc2cc1c1ccccc1)C"	"HYOLQGVNMQNERE-UHFFFAOYSA-N"	"InChI=1S/C19H20N2S/c1-21(2)12-13-22-19-17(15-8-4-3-5-9-15)14-16-10-6-7-11-18(16)20-19/h3-11,14H,12-13H2,1-2H3"	""	""	""
"1636"	"ICI 174,864"	""	"Peptide"	""	""	""	""	"135650369"	"107691"	""	""	""	""	""	""	""	"(2S)-2-[[(2S)-2-[[2-[[(2S)-2-(di(prop-2-enyl)amino)-3-(4-hydroxyphenyl)propanoyl]amino]-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid"	""	"ICI-174,864|ICI-174864"	"C=CCN([C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1)(C)C)Cc1ccc(cc1)O)CC=C"	"BGJPRBZZLWCLJW-AWCRTANDSA-N"	"InChI=1S/C34H46N4O6/c1-7-18-38(19-8-2)29(22-25-14-16-26(39)17-15-25)31(41)37-34(5,6)33(44)36-27(21-24-12-10-9-11-13-24)30(40)35-28(32(42)43)20-23(3)4/h7-17,23,27-29,39H,1-2,18-22H2,3-6H3,(H,35,40)(H,36,44)(H,37,41)(H,42,43)/t27-,28-,29-/m0/s1"	""	""	""
"6072"	"ICI 192605"	""	"Synthetic organic"	""	""	""	""	"178102693"	"23654676"	""	""	""	""	""	""	""	"(E)-6-[(2S,4S,5R)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid"	""	"ICI 192,605"	"OC(=O)CC/C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccccc1Cl"	"WHUIENZXNGAHQI-BNGKFCBFSA-N"	"InChI=1S/C22H23ClO5/c23-18-11-6-4-9-16(18)22-27-14-15(8-2-1-3-13-20(25)26)21(28-22)17-10-5-7-12-19(17)24/h1-2,4-7,9-12,15,21-22,24H,3,8,13-14H2,(H,25,26)/b2-1+/t15-,21+,22+/m1/s1"	""	""	""
"3358"	"ICI198615"	""	"Synthetic organic"	""	""	""	""	"178100384"	"115219"	""	""	"CHEMBL22033"	""	""	""	""	"cyclopentyl N-[1-({4-[(benzenesulfonyl)carbamoyl]-2-methoxyphenyl}methyl)-1H-indazol-6-yl]carbamate"	""	"ICI 198615|ICI-198615"	"COc1cc(ccc1Cn1ncc2c1cc(cc2)NC(=O)OC1CCCC1)C(=O)NS(=O)(=O)c1ccccc1"	"YRCPIXCRSAKRGM-UHFFFAOYSA-N"	"InChI=1S/C28H28N4O6S/c1-37-26-15-19(27(33)31-39(35,36)24-9-3-2-4-10-24)11-12-21(26)18-32-25-16-22(14-13-20(25)17-29-32)30-28(34)38-23-7-5-6-8-23/h2-4,9-17,23H,5-8,18H2,1H3,(H,30,34)(H,31,33)"	""	""	""
"11691"	"ICI-199441"	""	"Synthetic organic"	""	""	""	""	"442878717"	"3082718"	""	""	"CHEMBL38576"	""	""	""	""	"2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide"	""	"ICI 199,441|ICI199441|ligand 1 [PMID: 8893842]"	"Clc1cc(ccc1Cl)CC(=O)N([C@H](CN1CCCC1)c1ccccc1)C"	"AEJOEPSMZCEYJN-HXUWFJFHSA-N"	"InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1"	""	""	""
"1650"	"ICI 204448"	""	"Synthetic organic"	""	""	""	""	"135650371"	"3683"	""	""	"CHEMBL23472"	""	""	""	""	"2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenoxy]acetic acid"	""	"ICI-204,448|ICI-204448"	"OC(=O)COc1cccc(c1)C(N(C(=O)Cc1ccc(c(c1)Cl)Cl)C)CN1CCCC1"	"JKYJSFISYHSNOE-UHFFFAOYSA-N"	"InChI=1S/C23H26Cl2N2O4/c1-26(22(28)12-16-7-8-19(24)20(25)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)31-15-23(29)30/h4-8,11,13,21H,2-3,9-10,12,14-15H2,1H3,(H,29,30)"	""	""	""
"12581"	"ICI89406"	""	"Synthetic organic"	""	""	""	""	"479821371"	"123686"	""	""	"CHEMBL11268"	""	""	""	""	"1-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-3-phenylurea"	""	"ICI 89,406|ICI 89406|ICI-89406"	"C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O"	"HTLWRKRZKFAAAH-UHFFFAOYSA-N"	"InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)"	""	""	""
"2429"	"icilin"	""	"Synthetic organic"	""	""	""	""	"135650372"	"161930"	""	""	"CHEMBL258405"	""	""	""	""	"1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-3,6-dihydropyrimidin-2-one"	""	""	"O=C1NC(=CCN1c1ccccc1O)c1cccc(c1)[N+](=O)[O-]"	"RCEFMOGVOYEGJN-UHFFFAOYSA-N"	"InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)"	""	""	""
"6474"	"<i>cis</i>-10 [PMID: 15771457]"	""	"Synthetic organic"	""	""	""	""	"178103088"	"10245890"	""	""	""	""	""	""	""	"3-ethyl-2-methoxy-6-{[(1s,4s)-4-methoxycyclohexyl]carbonyl}quinoline"	""	""	"CO[C@@H]1CC[C@@H](CC1)C(=O)c1ccc2c(c1)cc(c(n2)OC)CC"	"IOCYQQQCJYMWDT-KDYLLFBJSA-N"	"InChI=1S/C20H25NO3/c1-4-13-11-16-12-15(7-10-18(16)21-20(13)24-3)19(22)14-5-8-17(23-2)9-6-14/h7,10-12,14,17H,4-6,8-9H2,1-3H3/t14-,17+"	""	""	""
"9632"	"<i>cis</i>-1,2-cyclopropanedicarboxylic acid"	""	"Synthetic organic"	""	""	""	""	"340590262"	"726455"	""	""	""	""	""	""	""	"(1S,2R)-cyclopropane-1,2-dicarboxylic acid"	""	""	"OC(=O)[C@@H]1C[C@@H]1C(=O)O"	"RLWFMZKPPHHHCB-WSOKHJQSSA-N"	"InChI=1S/C5H6O4/c6-4(7)2-1-3(2)5(8)9/h2-3H,1H2,(H,6,7)(H,8,9)/t2-,3+"	""	""	""
"4096"	"<i>cis</i>-3-ACPBPA"	""	"Synthetic organic"	""	""	""	""	"178100919"	"23399992"	""	""	""	""	""	""	""	"[(1R,3S)-3-aminocyclopentyl](butyl)phosphinic acid"	""	"3-amino-cyclopentenylbutylphosphonic acid"	"CCCCP(=O)([C@@H]1CC[C@@H](C1)N)O"	"UQGQAMARAMOEID-DTWKUNHWSA-N"	"InChI=1S/C9H20NO2P/c1-2-3-6-13(11,12)9-5-4-8(10)7-9/h8-9H,2-7,10H2,1H3,(H,11,12)/t8-,9+/m0/s1"	""	""	""
"9631"	"<i>cis</i>-epoxysuccinic acid"	""	"Synthetic organic"	""	""	""	""	"340590261"	"2734802"	""	""	""	""	""	""	""	"(2R,3S)-oxirane-2,3-dicarboxylic acid"	""	""	"OC(=O)[C@@H]1O[C@@H]1C(=O)O"	"DCEMCPAKSGRHCN-XIXRPRMCSA-N"	"InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2+"	""	""	""
"1208"	"(+)-<i>cis</i>-H<sub>2</sub>-PAT"	""	"Synthetic organic"	""	""	""	""	"135650373"	"15657195"	""	""	""	""	""	""	""	"N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine"	""	""	"CN([C@H]1Cc2ccccc2[C@H](C1)c1ccccc1)C"	"DXJUCAUQIHNOAF-FUHWJXTLSA-N"	"InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18+/m0/s1"	""	""	""
"10820"	"iclaprim"	""	"Synthetic organic"	""	""	""	""	"405560261"	"213043"	""	""	"CHEMBL134561"	""	""	""	""	"5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine"	"iclaprim"	"AR-100|AR100|Mersarex&reg;|RO-48-2622|RO-482622"	"COc1cc(Cc2cnc(nc2N)N)c2c(c1OC)OC(C=C2)C1CC1"	"HWJPWWYTGBZDEG-UHFFFAOYSA-N"	"InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)"	""	""	"yes"
"12110"	"iclepertin"	""	"Synthetic organic"	""	""	""	""	"472319232"	"155259577"	""	""	""	""	""	""	""	""	"iclepertin"	"BI 425809|BI-425809|BI425809"	"C[C@H](C(F)(F)F)Oc1c(cc(cc1)S(=O)(=O)C)C(=O)N1C[C@@H]2C[C@@]2(C1)c1noc(c1)C(F)(F)F"	"MYHDQTVHHMSLEF-DDBGAENHSA-N"	"InChI=1S/C20H18F6N2O5S/c1-10(19(21,22)23)32-14-4-3-12(34(2,30)31)5-13(14)17(29)28-8-11-7-18(11,9-28)15-6-16(33-27-15)20(24,25)26/h3-6,10-11H,7-9H2,1-2H3/t10-,11+,18+/m1/s1"	""	""	""
"11196"	"ICOA-13"	""	"Synthetic organic"	""	""	"yes"	""	"434122256"	"154699456"	""	""	""	""	""	""	""	"E-1-(6-(2-(3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-1-yl)ethylamino)-6-oxohexyl)-2-((E)-3-(1-ethyl-3,3-dimethyl-5-sulfo-3H-indolium-2-yl)allylidene)-3,3-dimethylindoline-5-sulfonate"	""	""	"COc1ccc2c(n1)c(CCNC(=O)C)cn2CCNC(=O)CCCCCN1c2ccc(cc2C(/C/1=C\C=C\C1=[N+](CC)c2c(C1(C)C)cc(cc2)S(=O)(=O)O)(C)C)S(=O)(=O)[O-]"	"UCZXUWQDKMFXCJ-UHFFFAOYSA-N"	"InChI=1S/C45H56N6O9S2/c1-8-50-36-18-16-32(61(54,55)56)27-34(36)44(3,4)39(50)13-12-14-40-45(5,6)35-28-33(62(57,58)59)17-19-37(35)51(40)25-11-9-10-15-41(53)47-24-26-49-29-31(22-23-46-30(2)52)43-38(49)20-21-42(48-43)60-7/h12-14,16-21,27-29H,8-11,15,22-26H2,1-7H3,(H3-,46,47,52,53,54,55,56,57,58,59)"	""	""	""
"7441"	"icosapent"	""	"Synthetic organic"	"yes"	""	""	""	"178104013"	"9831415"	""	""	"CHEMBL2095209"	""	""	""	""	"ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate"	"icosapent"	"AMR-101|icosapent ethyl|icosapentate|Vascepa&reg;|Vazkepa&reg;"	"CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC"	"SSQPWTVBQMWLSZ-AAQCHOMXSA-N"	"InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-"	""	""	""
"9593"	"ICOS ligand"	"Human"	"Peptide"	""	""	""	""	"340590224"	"0"	"O75144"	"ENSG00000160223"	""	""	""	""	""	""	""	"B7 homolog 2|B7-H2|B7-related protein 1|B7RP-1|CD275|ICOS-L"	""	""	""	"yes"	""	""
"7641"	"icotinib"	""	"Synthetic organic"	"yes"	""	""	""	"223365976"	"22024915"	""	""	"CHEMBL2087361"	""	""	""	""	"N-(3-ethynylphenyl)-7H,8H,10H,11H,13H,14H-1,4,7,10-tetraoxacyclododeca[2,3-g]quinazolin-4-amine"	""	"BPI-2009H|Conmana&reg;"	"C#Cc1cccc(c1)Nc1ncnc2c1cc1OCCOCCOCCOc1c2"	"QQLKULDARVNMAL-UHFFFAOYSA-N"	"InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)"	""	""	""
"14181"	"icotrokinra"	""	"Peptide"	"yes"	""	""	""	"518520808"	"162462321"	""	""	""	""	""	""	""	""	"icotrokinra"	"Icotyde&reg;|JNJ-2113|JNJ-77242113|JNJ77242113"	"CC1=C2C(=CC=C1)C(=CN2)C[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(SSC([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)[C@@H](C)O)CC(=O)N)NC(=O)C)(C)C)(C)C)C(=O)N[C@@H](CC4=CC=C(C=C4)OCCN)C(=O)N[C@@H](CC5=CC6=CC=CC=C6C=C5)C(=O)NC7(CCOCC7)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC8=CN=CC=C8)C(=O)N(C)CC(=O)N)CCCCNC(=O)C"	"IVFNYXYPMJQSGF-QMRCQSNESA-N"	"InChI=1S/C90H120N20O22S2/c1-48-16-14-20-59-57(46-97-72(48)59)42-64-79(122)99-60(21-12-13-34-96-50(3)112)77(120)108-75(89(7,8)134-133-88(5,6)74(98-51(4)113)84(127)104-66(44-69(93)115)81(124)107-73(49(2)111)83(126)102-64)85(128)103-62(39-52-23-26-58(27-24-52)132-37-32-91)78(121)100-63(40-53-22-25-55-18-10-11-19-56(55)38-53)82(125)109-90(30-35-131-36-31-90)87(130)106-61(28-29-71(117)118)76(119)101-65(43-68(92)114)80(123)105-67(41-54-17-15-33-95-45-54)86(129)110(9)47-70(94)116/h10-11,14-20,22-27,33,38,45-46,49,60-67,73-75,97,111H,12-13,21,28-32,34-37,39-44,47,91H2,1-9H3,(H2,92,114)(H2,93,115)(H2,94,116)(H,96,112)(H,98,113)(H,99,122)(H,100,121)(H,101,119)(H,102,126)(H,103,128)(H,104,127)(H,105,123)(H,106,130)(H,107,124)(H,108,120)(H,109,125)(H,117,118)/t49-,60+,61+,62+,63+,64+,65+,66+,67+,73+,74-,75-/m1/s1"	"yes"	""	""
"13456"	"icovamenib"	""	"Synthetic organic"	""	""	""	""	"500839866"	"154988914"	""	""	""	""	""	""	""	"N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide"	"icovamenib"	"BMF-219|BMF219|Compound 10 [US20200223853A1]"	"C=CC(=O)N[C@@H]1CCCN(CC2=CC(=NC=C2)C(=O)NC3=CC=C(C=C3)C4=CC5=C(N4)N=CN=C5N6CCOCC6)C1"	"CPRLHPSXWZTPMC-XMMPIXPASA-N"	"InChI=1S/C31H34N8O3/c1-2-28(40)35-24-4-3-11-38(19-24)18-21-9-10-32-27(16-21)31(41)36-23-7-5-22(6-8-23)26-17-25-29(37-26)33-20-34-30(25)39-12-14-42-15-13-39/h2,5-10,16-17,20,24H,1,3-4,11-15,18-19H2,(H,35,40)(H,36,41)(H,33,34,37)/t24-/m1/s1"	""	""	""
"8689"	"idalopirdine"	""	"Synthetic organic"	""	""	""	""	"252166889"	"21071390"	""	""	"CHEMBL3286580"	""	""	""	""	"2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine"	"idalopirdine"	"compound 52|Lu AE58054|LU-AE58054"	"Fc1ccc2c(c1)[nH]cc2CCNCc1cccc(c1)OCC(C(F)F)(F)F"	"YBAWYTYNMZWMMJ-UHFFFAOYSA-N"	"InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2"	""	""	""
"7083"	"idarubicin"	""	"Natural product"	"yes"	""	""	""	"178103662"	"42890"	""	""	"CHEMBL1117"	""	""	""	""	"(7S,9S)-9-acetyl-7-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione"	"idarubicin"	"Idamycin&reg;|IMI-30|Zavedos&reg;"	"O[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C"	"XDXDZDZNSLXDNA-TZNDIEGXSA-N"	"InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1"	""	""	""
"8298"	"idarucizumab"	""	"Antibody"	"yes"	""	""	""	"252166510"	"0"	""	""	""	""	""	""	""	""	"idarucizumab"	"aDabi-Fab|BI 655075|Praxbind&reg;"	""	""	""	""	""	""
"12575"	"idazoxan"	""	"Synthetic organic"	""	""	""	""	"479821365"	"54459"	""	""	"CHEMBL10316"	""	""	""	""	""	"idazoxan"	"TR-01-XRR"	"C1CN=C(N1)C2COC3=CC=CC=C3O2"	"HPMRFMKYPGXPEP-UHFFFAOYSA-N"	"InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)"	""	""	""
"6741"	"idelalisib"	""	"Synthetic organic"	"yes"	""	""	""	"178103352"	"11625818"	""	""	"CHEMBL2216870"	""	""	""	""	"5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one"	"idelalisib"	"CAL-101/CAL101|GS-1101|Zydelig&reg;"	"CC[C@@H](c1nc2cccc(c2c(=O)n1c1ccccc1)F)Nc1ncnc2c1[nH]cn2"	"IFSDAJWBUCMOAH-HNNXBMFYSA-N"	"InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1"	"yes"	""	""
"9070"	"<i>Dendroaspis</i> natriuretic peptide"	""	"Peptide"	""	""	""	""	"315661155"	"0"	""	""	""	""	""	""	""	""	""	"DNP"	""	""	""	""	""	""
"14525"	"IDR-1"	""	"Peptide"	""	""	""	""	"528429846"	"16129238"	""	""	""	""	""	""	""	""	""	"innate defense regulator peptide-1"	"CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)N"	"WXRGGPLCKMBEAF-OLAWGTLASA-N"	"InChI=1S/C65H118N18O15/c1-14-37(11)50(80-55(89)41(22-18-26-71-65(69)70)73-57(91)44(31-84)76-54(88)40(67)21-16-17-25-66)62(96)79-49(36(9)10)63(97)82-27-19-23-46(82)59(93)72-39(13)53(87)81-51(38(12)15-2)64(98)83-28-20-24-47(83)60(94)78-48(35(7)8)61(95)77-45(32-85)58(92)75-43(30-34(5)6)56(90)74-42(52(68)86)29-33(3)4/h33-51,84-85H,14-32,66-67H2,1-13H3,(H2,68,86)(H,72,93)(H,73,91)(H,74,90)(H,75,92)(H,76,88)(H,77,95)(H,78,94)(H,79,96)(H,80,89)(H,81,87)(H4,69,70,71)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1"	""	""	"yes"
"4219"	"IDRA-21"	""	"Synthetic organic"	""	""	""	""	"178101036"	"3688"	""	""	"CHEMBL77862"	""	""	""	""	"7-chloro-3-methyl-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-1,1-dione"	""	""	"CC1Nc2ccc(cc2S(=O)(=O)N1)Cl"	"VZRNTCHTJRLTMU-UHFFFAOYSA-N"	"InChI=1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3"	""	""	""
"11813"	"idremcinal"	""	"Synthetic organic"	""	""	""	""	"458923848"	"84019"	""	""	"CHEMBL2103968"	""	""	""	""	"(2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one"	"idremcinal"	"EM-574|EM574"	"CC[C@@H]1[C@@]([C@@H]([C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]1C[C@@]([C@H]([C@@H](O1)C)O)(C)OC)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)N(C)C(C)C)O)C)C)C)O)(C)O"	"FPBKIOZMKHHNLL-CBUZSSJJSA-N"	"InChI=1S/C39H69NO12/c1-15-27-39(12,45)32(42)22(6)30-20(4)17-38(11,52-30)34(51-36-29(41)26(16-21(5)47-36)40(13)19(2)3)23(7)31(24(8)35(44)49-27)50-28-18-37(10,46-14)33(43)25(9)48-28/h19,21-29,31-34,36,41-43,45H,15-18H2,1-14H3/t21-,22+,23+,24-,25+,26+,27-,28+,29-,31+,32-,33+,34-,36+,37-,38-,39-/m1/s1"	""	""	""
"4854"	"<i>E. coli</i> heat-stable enterotoxin (ST<sub>a</sub>)"	""	"Peptide"	""	""	""	""	"178101555"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"12369"	"ifebemtinib"	""	"Synthetic organic"	""	""	""	""	"479821160"	"46207957"	""	""	""	""	""	""	""	"2-fluoro-5-methoxy-4-[[4-[(2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide"	"ifebemtinib"	"BI-853520|BI853520|IN10018"	"CN1CCC(CC1)NC(=O)c1cc(c(cc1F)Nc1ncc(c(n1)Oc1cccc2c1C(=O)N(C2)C)C(F)(F)F)OC"	"ULMMVBPTWVRPSI-UHFFFAOYSA-N"	"InChI=1S/C28H28F4N6O4/c1-37-9-7-16(8-10-37)34-24(39)17-11-22(41-3)20(12-19(17)29)35-27-33-13-18(28(30,31)32)25(36-27)42-21-6-4-5-15-14-38(2)26(40)23(15)21/h4-6,11-13,16H,7-10,14H2,1-3H3,(H,34,39)(H,33,35,36)"	""	""	""
"5472"	"ifenprodil"	""	"Synthetic organic"	""	""	""	""	"178102121"	"3689"	""	""	"CHEMBL305187"	""	""	""	""	"4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol"	"ifenprodil"	"(&plusmn;)-ifenprodil|RC 61-91"	"Oc1ccc(cc1)C(C(N1CCC(CC1)Cc1ccccc1)C)O"	"UYNVMODNBIQBMV-UHFFFAOYSA-N"	"InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3"	""	""	""
"1987"	"ifetroban"	""	"Synthetic organic"	""	""	""	""	"135650374"	"3037233"	""	""	"CHEMBL3301673"	""	""	""	""	"3-[2-[[(1S,4R,5S,6R)-5-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-6-yl]methyl]phenyl]propanoic acid"	"ifetroban"	"BMS 180,291|BMS 180291|BMS 180291-02|BMS180291"	"CCCCCNC(=O)c1coc(n1)[C@@H]1[C@H]2CC[C@@H]([C@@H]1Cc1ccccc1CCC(=O)O)O2"	"BBPRUNPUJIUXSE-DXKRWKNPSA-N"	"InChI=1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)/t18-,20-,21+,23-/m0/s1"	""	""	""
"10638"	"ifidancitinib"	""	"Synthetic organic"	""	""	""	""	"404859085"	"46851625"	""	""	"CHEMBL4594441"	""	""	""	""	"5-[[2-(4-fluoro-3-methoxy-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one"	"ifidancitinib"	"A-301|ATI-50002|ATI-502"	"COc1cc(Nc2ncc(c(n2)Nc2ccc3c(c2)[nH]c(=O)o3)C)cc(c1F)C"	"OYFMQDVLFYKOPZ-UHFFFAOYSA-N"	"InChI=1S/C20H18FN5O3/c1-10-6-13(8-16(28-3)17(10)21)24-19-22-9-11(2)18(26-19)23-12-4-5-15-14(7-12)25-20(27)29-15/h4-9H,1-3H3,(H,25,27)(H2,22,23,24,26)"	"yes"	""	""
"13850"	"ifinatamab deruxtecan"	""	"Antibody"	""	""	""	""	"513757535"	"0"	""	""	""	""	""	""	""	""	"ifinatamab deruxtecan"	"DS-7300|I-DXd"	""	""	""	""	""	""
"4956"	"IFN-&alpha;10"	"Human"	"Peptide"	""	""	""	""	"178101654"	"0"	"P01566"	"ENSG00000186803"	""	""	""	""	""	""	""	"IFN alpha-10|interferon alpha-10|interferon alpha-6L|interferon alpha-C"	""	""	""	"yes"	""	""
"4955"	"IFN-&alpha;1/13"	"Human"	"Peptide"	""	""	""	""	"178101653"	"0"	"P01562"	"ENSG00000197919|ENSG00000233816"	""	""	""	""	""	""	""	"IFN-&alpha;1|IFN-&alpha;13|IFN-alpha 1/13|interferon alpha-1/13|interferon alpha-D"	""	""	""	"yes"	""	""
"4957"	"IFN-&alpha;14"	"Human"	"Peptide"	""	""	""	""	"178101655"	"0"	"P01570"	"ENSG00000228083"	""	""	""	""	""	""	""	"IFN alpha-14|interferon alpha-14|interferon alpha-H|interferon lambda-2-H"	""	""	""	"yes"	""	""
"4958"	"IFN-&alpha;16"	"Human"	"Peptide"	""	""	""	""	"178101656"	"0"	"P05015"	"ENSG00000147885"	""	""	""	""	""	""	""	"IFN alpha-16|interferon alpha-16|interferon alpha-WA"	""	""	""	"yes"	""	""
"4959"	"IFN-&alpha;17"	"Human"	"Peptide"	""	""	""	""	"178101657"	"0"	"P01571"	"ENSG00000234829"	""	""	""	""	""	""	""	"IFN alpha-17|interferon alpha-17|interferon alpha-88|interferon alpha-T"	""	""	""	"yes"	""	""
"4960"	"IFN-&alpha;2"	"Human"	"Peptide"	"yes"	""	""	""	"178101658"	"0"	"P01563"	"ENSG00000188379"	""	""	""	""	""	""	""	"IFN-alpha-2|interferon alpha-2|Roferon A&reg;"	""	""	""	"yes"	""	""
"4961"	"IFN-&alpha;21"	"Human"	"Peptide"	""	""	""	""	"178101659"	"0"	"P01568"	"ENSG00000137080"	""	""	""	""	""	""	""	"IFN-alpha 21|interferon alpha-21|interferon alpha-F"	""	""	""	"yes"	""	""
"8338"	"IFN-&alpha;2b (recombinant human)"	""	"Peptide"	"yes"	"yes"	""	""	"252166550"	"0"	""	""	""	""	""	""	""	""	""	"Intron A&reg;|intronA"	""	""	""	""	""	""
"4962"	"IFN-&alpha;4"	"Human"	"Peptide"	""	""	""	""	"178101660"	"0"	"P05014"	"ENSG00000236637"	""	""	""	""	""	""	""	"IFN-alpha-4|interferon alpha-4|interferon alpha-4B|interferon alpha-76|interferon alpha-M1"	""	""	""	"yes"	""	""
"4963"	"IFN-&alpha;5"	"Human"	"Peptide"	""	""	""	""	"178101661"	"0"	"P01569"	"ENSG00000147873"	""	""	""	""	""	""	""	"IFN-alpha-5|interferon alpha-5|interferon alpha-61|interferon alpha-G"	""	""	""	"yes"	""	""
"4964"	"IFN-&alpha;6"	"Human"	"Peptide"	""	""	""	""	"178101662"	"0"	"P05013"	"ENSG00000120235"	""	""	""	""	""	""	""	"IFN-alpha-6|interferon alpha-54|interferon alpha-6|interferon alpha-K"	""	""	""	"yes"	""	""
"4965"	"IFN-&alpha;7"	"Human"	"Peptide"	""	""	""	""	"178101663"	"0"	"P01567"	"ENSG00000214042"	""	""	""	""	""	""	""	"IFN-alpha-7|interferon alpha-7|interferon alpha-J|interferon alpha-J1"	""	""	""	"yes"	""	""
"4966"	"IFN-&alpha;8"	"Human"	"Peptide"	""	""	""	""	"178101664"	"0"	"P32881"	"ENSG00000120242"	""	""	""	""	""	""	""	"IFN-alpha-8|interferon alpha-8|interferon alpha-B|interferon alpha-B2"	""	""	""	"yes"	""	""
"4967"	"IFN-&beta;"	"Human"	"Peptide"	""	""	""	""	"178101665"	"0"	"P01574"	"ENSG00000171855"	""	""	""	""	""	""	"interferon beta"	"Avonex&reg; (recombinant IFN-beta-1a)|fibroblast interferon|interferon beta"	""	""	""	"yes"	""	""
"8339"	"IFN-&beta;1a (recombinant human)"	""	"Peptide"	"yes"	""	""	""	"252166551"	"0"	""	""	""	""	""	""	""	""	"interferon beta"	"Avonex&reg;|Rebif&reg;"	""	""	""	""	""	""
"8340"	"IFN-&beta;1b (recombinant human)"	""	"Peptide"	"yes"	""	""	""	"252166552"	"0"	""	""	""	""	""	""	""	""	"interferon beta"	"Betaferon&reg;|Betaseron&reg;|Extavia&reg;|IFNb1b"	""	""	""	"yes"	""	""
"4968"	"IFN-&gamma;"	"Human"	"Peptide"	"yes"	""	""	""	"178101666"	"0"	"P01579"	"ENSG00000111537"	""	""	""	""	""	""	""	"Actimmune&reg;|immune interferon|interferon gamma"	""	""	""	"yes"	""	""
"8341"	"IFN-&gamma;1b (human recombinant)"	""	"Peptide"	"yes"	""	""	""	"252166553"	"0"	""	""	""	""	""	""	""	""	"interferon gamma"	"Actimmune&reg.|IFN&gamma;2a"	""	""	""	""	""	""
"4969"	"IFN-&kappa;"	"Human"	"Peptide"	""	""	""	""	"178101667"	"0"	"Q9P0W0"	"ENSG00000147896"	""	""	""	""	""	""	""	"interferon kappa"	""	""	""	"yes"	""	""
"4993"	"IFN-&lambda;1"	"Human"	"Peptide"	""	""	""	""	"178101690"	"0"	"Q8IU54"	"ENSG00000182393"	""	""	""	""	""	""	""	"IFN-lambda-1|interferon lambda-1|interferon-&lambda;1|interleukin-29"	""	""	""	"yes"	""	""
"4991"	"IFN-&lambda;2"	"Human"	"Peptide"	""	""	""	""	"178101688"	"0"	"Q8IZJ0"	"ENSG00000183709"	""	""	""	""	""	""	""	"cytokine Zcyto20|IFN-lambda-2|interferon lambda-2|interferon-&lambda;2|interleukin-28A"	""	""	""	"yes"	""	""
"4992"	"IFN-&lambda;3"	"Human"	"Peptide"	""	""	""	""	"178101689"	"0"	"Q8IZI9"	"ENSG00000197110"	""	""	""	""	""	""	""	"cytokine Zcyto22|IFN-lambda-3|IFN-lambda-4|interleukin-28B (IL-28B)|interleukin-28C (IL-28C)"	""	""	""	"yes"	""	""
"4970"	"IFN-&omega;"	"Human"	"Peptide"	""	""	""	""	"178101668"	"0"	"P05000"	"ENSG00000177047"	""	""	""	""	""	""	""	"interferon alpha-II-1|interferon omega-1"	""	""	""	"yes"	""	""
"7201"	"ifosfamide"	""	"Synthetic organic"	"yes"	""	""	""	"178103776"	"3690"	""	""	"CHEMBL1024"	""	""	""	""	"3-(2-chloroethyl)-2-[(2-chloroethyl)amino]-1,3,2&lambda;<sup>5</sup>-oxazaphosphinan-2-one"	"ifosfamide"	"Holoxan&reg;|Ifex&reg;|MJF-9325|Z-4942"	"ClCCNP1(=O)OCCCN1CCCl"	"HOMGKSMUEGBAAB-UHFFFAOYSA-N"	"InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)"	""	""	""
"14249"	"ifupinostat"	""	"Synthetic organic"	"yes"	""	""	""	"521588889"	"59474330"	""	""	""	""	""	""	""	"N-hydroxy-2-[methyl-[[2-[6-(methylamino)-3-pyridinyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxamide Computed by Lexic"	"ifupinostat"	"BEBT-908|BEBT908|Betlin&reg;|CUDC-908|CUDC908"	"CNC1=NC=C(C=C1)C2=NC3=C(C(=N2)N4CCOCC4)SC(=C3)CN(C)C5=NC=C(C=N5)C(=O)NO"	"TWJZFXHSPBBPNI-UHFFFAOYSA-N"	"InChI=1S/C23H25N9O3S/c1-24-18-4-3-14(10-25-18)20-28-17-9-16(36-19(17)21(29-20)32-5-7-35-8-6-32)13-31(2)23-26-11-15(12-27-23)22(33)30-34/h3-4,9-12,34H,5-8,13H2,1-2H3,(H,24,25)(H,30,33)"	""	""	""
"9557"	"IgE heavy chain"	""	"Peptide"	""	""	""	""	"336446943"	"0"	"P01854"	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"8737"	"IGN523"	""	"Antibody"	""	""	""	""	"252827395"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9736"	"iguratimod"	""	"Synthetic organic"	"yes"	""	""	""	"354702212"	"124246"	""	""	"CHEMBL2107455"	""	""	""	""	"N-[7-methanesulfonamido-4-oxo-6-(phenoxy)chromen-3-yl]formamide"	"iguratimod"	"Careram&reg;|Iremod|Kolbet&reg;|T-614"	"O=CNc1coc2c(c1=O)cc(c(c2)NS(=O)(=O)C)Oc1ccccc1"	"ANMATWQYLIFGOK-UHFFFAOYSA-N"	"InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20)"	"yes"	""	""
"12168"	"IHMT-MST1-58"	""	"Synthetic organic"	""	""	""	""	"472319290"	"162477909"	""	""	""	""	""	""	""	"4-[[5,8-dimethyl-7-(2-methylphenyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide"	""	"compound 19 [PMID: 36037148]"	"CN1c2cnc(Nc3ccc(S(=O)(=O)N)cc3)nc2N(C)C(c2ccccc2C)C1=O"	"FWEIAKDAIDQPRK-UHFFFAOYSA-N"	"InChI=1S/C21H22N6O3S/c1-13-6-4-5-7-16(13)18-20(28)26(2)17-12-23-21(25-19(17)27(18)3)24-14-8-10-15(11-9-14)31(22,29)30/h4-12,18H,1-3H3,(H2,22,29,30)(H,23,24,25)"	""	""	""
"9713"	"<i>H. polygyrus</i> TGF-&beta; mimic"	""	"Peptide"	""	""	""	""	"348353672"	"0"	""	""	""	""	""	""	""	""	""	"<i>Hp</i>-TGM"	""	""	""	"yes"	""	""
"1350"	"IIK7"	""	"Synthetic organic"	""	""	""	""	"135650375"	"4172142"	""	""	"CHEMBL10009"	""	""	""	""	"N-[2-(2-methoxy-6H-isoindolo[2,3-a]indol-11-yl)ethyl]butanamide"	""	""	"CCCC(=O)NCCc1c2c3ccccc3Cn2c2c1cc(OC)cc2"	"RQYIUGOJQFWLAZ-UHFFFAOYSA-N"	"InChI=1S/C22H24N2O2/c1-3-6-21(25)23-12-11-18-19-13-16(26-2)9-10-20(19)24-14-15-7-4-5-8-17(15)22(18)24/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3,(H,23,25)"	""	""	""
"8680"	"IK-862"	""	"Synthetic organic"	""	""	""	""	"252166880"	"6914621"	""	""	"CHEMBL148169"	""	""	""	""	"(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide"	""	"compound 32|IK862"	"ONC(=O)[C@H](N1CC[C@@](C1=O)(C)c1ccc(cc1)OCc1cc(C)nc2c1cccc2)C"	"YDMIPBHQKFOFQW-NSYGIPOTSA-N"	"InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1"	""	""	""
"5986"	"IKK-2 inhibitor IV"	""	"Synthetic organic"	""	""	""	""	"178102609"	"9903786"	""	""	"CHEMBL257167"	""	""	""	""	"2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide"	""	"TPCA-1|TPCA1"	"NC(=O)Nc1sc(cc1C(=O)N)c1ccc(cc1)F"	"SAYGKHKXGCPTLX-UHFFFAOYSA-N"	"InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)"	"yes"	""	""
"10134"	"IKK-beta inhibitor R-28"	""	"Synthetic organic"	""	""	""	""	"381118844"	"59332591"	""	""	""	""	""	""	""	"3-[(4R)-2,2-dimethyl-1,1-dioxothian-4-yl]-5-(4-fluorophenyl)-1H-indole-7-carboxamide"	""	"(R)-28|example 225 [US8372875B2]"	"Fc1ccc(cc1)c1cc(C(=O)N)c2c(c1)c(c[nH]2)[C@@H]1CCS(=O)(=O)C(C1)(C)C"	"YGYGASJNJTYNOL-CQSZACIVSA-N"	"InChI=1S/C22H23FN2O3S/c1-22(2)11-14(7-8-29(22,27)28)19-12-25-20-17(19)9-15(10-18(20)21(24)26)13-3-5-16(23)6-4-13/h3-6,9-10,12,14,25H,7-8,11H2,1-2H3,(H2,24,26)/t14-/m1/s1"	"yes"	""	""
"2591"	"IKs124"	""	"Synthetic organic"	""	""	""	""	"135650376"	"15338746"	""	""	""	""	""	""	""	"N-butyl-N-(6-cyano-2,2-dimethylchroman-4-yl)ethanesulfonamide"	""	""	"CCCCN(S(=O)(=O)CC)C1CC(C)(C)Oc2c1cc(C#N)cc2"	"VTICUGOJGKDYJD-UHFFFAOYSA-N"	"InChI=1S/C18H26N2O3S/c1-5-7-10-20(24(21,22)6-2)16-12-18(3,4)23-17-9-8-14(13-19)11-15(16)17/h8-9,11,16H,5-7,10,12H2,1-4H3"	""	""	""
"4975"	"IL-10"	"Human"	"Peptide"	""	""	""	""	"178101673"	"0"	"P22301"	"ENSG00000136634"	""	""	""	""	""	""	""	"interleukin-10"	""	""	""	"yes"	""	""
"4976"	"IL-11"	"Human"	"Peptide"	""	""	""	""	"178101674"	"0"	"P20809"	"ENSG00000095752"	""	""	""	""	""	""	""	"interleukin-11"	""	""	""	"yes"	""	""
"4977"	"IL-12"	"Human"	"Peptide"	""	""	""	""	"178101675"	"0"	""	"ENSG00000168811|ENSG00000113302"	""	"5001|5002"	"IL-12A|IL-12B"	"P29459|P29460"	"ENSG00000168811|ENSG00000113302"	""	""	"IL-12 p70"	""	""	""	"yes"	""	""
"5001"	"IL-12A"	"Human"	"Peptide"	""	""	""	""	"178101698"	"0"	"P29459"	"ENSG00000168811"	""	""	""	""	""	""	""	"IL-12 p35|interleukin-12A|NKSF1"	""	""	""	"yes"	""	""
"5002"	"IL-12B"	"Human"	"Peptide"	""	""	""	""	"178101699"	"0"	"P29460"	"ENSG00000113302"	""	""	""	""	""	""	""	"IL-12 p40|IL-12B monomer|interleukin-12&beta;|interleukin-12B|natural killer cell stimulatory factor 2"	""	""	""	"yes"	""	""
"4980"	"IL-13"	"Human"	"Peptide"	""	""	""	""	"178101677"	"0"	"P35225"	"ENSG00000169194"	""	""	""	""	""	""	""	"hematopoietic growth factor|interleukin-13|mast cell growth factor|multipotential colony-stimulating factor|P-cell-stimulating factor"	""	""	""	"yes"	""	""
"4981"	"IL-15"	"Human"	"Peptide"	""	""	""	""	"178101678"	"0"	"P40933"	"ENSG00000164136"	""	""	""	""	""	""	""	"interleukin-15"	""	""	""	"yes"	""	""
"14695"	"IL-16"	"Human"	"Peptide"	""	""	""	""	""	""	"Q14005"	"ENSG00000172349"	""	""	""	""	""	""	""	"lymphocyte chemoattractant factor (LCF)"	""	""	""	"yes"	""	""
"4982"	"IL-17A"	"Human"	"Peptide"	""	""	""	""	"178101679"	"0"	"Q16552"	"ENSG00000112115"	""	""	""	""	""	""	""	"CTLA-8|interleukin-17 alpha"	""	""	""	"yes"	""	""
"5874"	"IL-17A/IL-17F"	"Human"	"Peptide"	""	""	""	""	"178102498"	"0"	""	"ENSG00000112115|ENSG00000112116"	""	"4982|5873"	"IL-17A|IL-17F"	"Q16552|Q96PD4"	"ENSG00000112115|ENSG00000112116"	""	""	""	""	""	""	"yes"	""	""
"5877"	"IL-17B"	"Human"	"Peptide"	""	""	""	""	"178102501"	"0"	"Q9UHF5"	"ENSG00000127743"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"5875"	"IL-17C"	"Human"	"Peptide"	""	""	""	""	"178102499"	"0"	"Q9P0M4"	"ENSG00000124391"	""	""	""	""	""	""	""	"cytokine CX2|interleukin-17C"	""	""	""	"yes"	""	""
"5873"	"IL-17F"	"Human"	"Peptide"	""	""	""	""	"178102497"	"0"	"Q96PD4"	"ENSG00000112116"	""	""	""	""	""	""	""	"cytokine ML-1|Interleukin-17F"	""	""	""	"yes"	""	""
"4983"	"IL-18"	"Human"	"Peptide"	""	""	""	""	"178101680"	"0"	"Q14116"	"ENSG00000150782"	""	""	""	""	""	""	""	"ibocatdekin|interferon-&gamma;-inducing factor|interleukin-1 gamma (IL-1 gamma)|interleukin-18"	""	""	""	"yes"	""	""
"4984"	"IL-19"	"Human"	"Peptide"	""	""	""	""	"178101681"	"0"	"Q9UHD0"	"ENSG00000142224"	""	""	""	""	""	""	""	"interleukin-19|melanoma differentiation-associated protein-like protein"	""	""	""	"yes"	""	""
"4973"	"IL-1&alpha;"	"Human"	"Peptide"	""	""	""	""	"178101671"	"0"	"P01583"	"ENSG00000115008"	""	""	""	""	""	""	""	"hematopoietin-1|interleukin-1 alpha"	""	""	""	"yes"	""	""
"4974"	"IL-1&beta;"	"Human"	"Peptide"	""	""	""	""	"178101672"	"0"	"P01584"	"ENSG00000125538"	""	""	""	""	""	""	""	"catabolin|interleukin-1 beta"	""	""	""	"yes"	""	""
"5878"	"IL-1 receptor antagonist"	"Human"	"Peptide"	""	""	""	""	"178102502"	"0"	"P18510"	"ENSG00000136689"	""	""	""	""	""	""	""	"IL-1ra|interleukin-1 receptor antagonist protein|IRAP"	""	""	""	"yes"	""	""
"4985"	"IL-2"	"Human"	"Peptide"	"yes"	""	""	""	"178101682"	"0"	"P60568"	"ENSG00000109471"	""	""	""	""	""	""	""	"aldesleukin|interleukin-2|Proleukin&reg;"	""	""	""	"yes"	""	""
"4986"	"IL-20"	"Human"	"Peptide"	""	""	""	""	"178101683"	"0"	"Q9NYY1"	"ENSG00000162891"	""	""	""	""	""	""	""	"cytokine Zcyto10|interleukin-20"	""	""	""	"yes"	""	""
"4987"	"IL-21"	"Human"	"Peptide"	""	""	""	""	"178101684"	"0"	"Q9HBE4"	"ENSG00000138684"	""	""	""	""	""	""	""	"interleukin-21|ZA11"	""	""	""	"yes"	""	""
"4988"	"IL-22"	"Human"	"Peptide"	""	""	""	""	"178101685"	"0"	"Q9GZX6"	"ENSG00000127318"	""	""	""	""	""	""	""	"cytokine Zcyto18|interleukin-22"	""	""	""	"yes"	""	""
"4978"	"IL-23"	"Human"	"Peptide"	""	""	""	""	"178101676"	"0"	""	"ENSG00000113302|ENSG00000110944"	""	"4989|5002"	"IL-23A|IL-12B"	"4989:no_UniProt_ID|P29460"	"ENSG00000110944|ENSG00000113302"	""	""	""	""	""	""	"yes"	""	""
"4989"	"IL-23A"	"Human"	"Peptide"	""	""	""	""	"178101686"	"0"	""	"ENSG00000110944"	""	""	""	""	""	""	""	"IL-23p19|IL23A|interleukin-23 subunit alpha|interleukin-23A"	""	""	""	"yes"	""	""
"4990"	"IL-24"	"Human"	"Peptide"	""	""	""	""	"178101687"	"0"	"Q13007"	"ENSG00000162892"	""	""	""	""	""	""	""	"interleukin-24|MDA-7|melanoma differentiation-associated gene 7 protein"	""	""	""	"yes"	""	""
"5876"	"IL-25"	"Human"	"Peptide"	""	""	""	""	"178102500"	"0"	"Q9H293"	"ENSG00000166090"	""	""	""	""	""	""	""	"IL-17E|interleukin-17E|interleukin-25"	""	""	""	"yes"	""	""
"6151"	"IL-27"	"Human"	"Peptide"	""	""	""	""	"178102772"	"0"	""	"ENSG00000105246|ENSG00000197272"	""	"6152|6153"	"IL-27 subunit &alpha;|IL-27 subunit &beta;"	"Q8NEV9|Q14213"	"ENSG00000197272|ENSG00000105246"	""	""	""	""	""	""	"yes"	""	""
"6152"	"IL-27 subunit &alpha;"	"Human"	"Peptide"	""	""	""	""	"178102773"	"0"	"Q8NEV9"	"ENSG00000197272"	""	""	""	""	""	""	""	"IL-27 subunit alpha|interleukin-27 subunit alpha|p28"	""	""	""	"yes"	""	""
"6153"	"IL-27 subunit &beta;"	"Human"	"Peptide"	""	""	""	""	"178102774"	"0"	"Q14213"	"ENSG00000105246"	""	""	""	""	""	""	""	"EBV-induced gene 3 protein|Epstein-Barr virus-induced gene 3 protein|IL-27 subunit beta|IL-27B|interleukin-27 subunit beta"	""	""	""	"yes"	""	""
"4994"	"IL-3"	"Human"	"Peptide"	""	""	""	""	"178101691"	"0"	"P08700"	"ENSG00000164399"	""	""	""	""	""	""	""	"interleukin-3 (IL-3)|multilineage-colony-stimulating factor (mCSF)"	""	""	""	"yes"	""	""
"4995"	"IL-31"	"Human"	"Peptide"	""	""	""	""	"178101692"	"0"	"Q6EBC2"	"ENSG00000204671"	""	""	""	""	""	""	""	"interleukin-31"	""	""	""	"yes"	""	""
"5880"	"IL-33"	"Human"	"Peptide"	""	""	""	""	"178102504"	"0"	"O95760"	"ENSG00000137033"	""	""	""	""	""	""	""	"IL-1F11"	""	""	""	"yes"	""	""
"8975"	"IL-34"	"Human"	"Peptide"	""	""	""	""	"310264755"	"0"	"Q6ZMJ4"	"ENSG00000157368"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"5881"	"IL-36&alpha;"	"Human"	"Peptide"	""	""	""	""	"178102505"	"0"	"Q9UHA7"	"ENSG00000136694"	""	""	""	""	""	""	""	"FIL1 epsilon|interleukin-1 epsilon (IL-1 epsilon)"	""	""	""	"yes"	""	""
"5882"	"IL-36&beta;"	"Human"	"Peptide"	""	""	""	""	"178102506"	"0"	"Q9NZH7"	"ENSG00000136696"	""	""	""	""	""	""	""	"FIL1 eta|IL-1 eta|interleukin-1 eta"	""	""	""	"yes"	""	""
"5883"	"IL-36&gamma;"	"Human"	"Peptide"	""	""	""	""	"178102507"	"0"	"Q9NZH8"	"ENSG00000136688"	""	""	""	""	""	""	""	"IL-1-related protein 2 (IL-1RP2)|interleukin-1 epsilon (IL-1E)|interleukin-1 family member 9|interleukin-36 gamma"	""	""	""	"yes"	""	""
"5879"	"IL-36 receptor antagonist"	"Human"	"Peptide"	""	""	""	""	"178102503"	"0"	"Q9UBH0"	"ENSG00000136695"	""	""	""	""	""	""	""	"IL-1 related protein 3 (IL1RP3)|IL-1F5|IL-36ra|IL1F5|interleukin 1 family member 5 (delta)"	""	""	""	"yes"	""	""
"6149"	"IL-37"	"Human"	"Peptide"	""	""	""	""	"178102770"	"0"	"Q9NZH6"	"ENSG00000125571"	""	""	""	""	""	""	""	"IL-1&zeta;|IL-23|interleukin-1&zeta;|interleukin-1-related protein (IL1RP)|interleukin-23"	""	""	""	"yes"	""	""
"4996"	"IL-4"	"Human"	"Peptide"	""	""	""	""	"178101693"	"0"	"P05112"	"ENSG00000113520"	""	""	""	""	""	""	""	"B-cell stimulatory factor 1|binetrakin|interleukin-4|pitrakinra"	""	""	""	"yes"	""	""
"4997"	"IL-5"	"Human"	"Peptide"	""	""	""	""	"178101694"	"0"	"P05113"	"ENSG00000113525"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4998"	"IL-6"	"Human"	"Peptide"	""	""	""	""	"178101695"	"0"	"P05231"	"ENSG00000136244"	""	""	""	""	""	""	""	"B-cell stimulatory factor 2|CTL differentiation factor|hybridoma growth factor|interferon &beta;2|interleukin-6"	""	""	""	"yes"	""	""
"4999"	"IL-7"	"Human"	"Peptide"	""	""	""	""	"178101696"	"0"	"P13232"	"ENSG00000104432"	""	""	""	""	""	""	""	"interleukin-7"	""	""	""	"yes"	""	""
"5000"	"IL-9"	"Human"	"Peptide"	""	""	""	""	"178101697"	"0"	"P15248"	"ENSG00000145839"	""	""	""	""	""	""	""	"interleukin-9"	""	""	""	"yes"	""	""
"8132"	"Il-94"	""	"Synthetic organic"	""	""	""	""	"249565812"	"73348907"	""	""	"CHEMBL2386715"	""	""	""	""	"4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(6-fluoro-1H-indazol-4-yl)methyl]-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine"	""	""	"COCCN(c1nccc(n1)Nc1n[nH]c(c1)C1CC1)Cc1cc(F)cc2c1cn[nH]2"	"FTGUWURNNBVUBC-UHFFFAOYSA-N"	"InChI=1S/C21H23FN8O/c1-31-7-6-30(12-14-8-15(22)9-18-16(14)11-24-27-18)21-23-5-4-19(26-21)25-20-10-17(28-29-20)13-2-3-13/h4-5,8-11,13H,2-3,6-7,12H2,1H3,(H,24,27)(H2,23,25,26,28,29)"	""	""	""
"11185"	"ilacirnon"	""	"Synthetic organic"	""	""	""	""	"434122245"	"25134303"	""	""	"CHEMBL2178573"	""	""	""	""	"4-chloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide"	"ilacirnon"	"CCX-140B|CCX140|CCX140-B|CCX140B|Example 5 [WO2009009740A1]"	"Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2"	"LUUMLYXKTPBTQR-UHFFFAOYSA-N"	"InChI=1S/C20H13ClF3N5O3S/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16/h2-9,29H,1H3,(H,25,27,28)"	""	""	""
"10512"	"ilaprazole"	""	"Synthetic organic"	"yes"	""	""	""	"387065594"	"214351"	""	""	""	""	""	""	""	""	"ilaprazole"	"IY-81149|IY81149|Noltec&reg;"	"COc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cc(cc2)n1cccc1"	"HRRXCXABAPSOCP-UHFFFAOYSA-N"	"InChI=1S/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)"	""	""	""
"1555"	"[Ile<sup>31</sup>,Gln<sup>34</sup>]PP (human)"	""	"Peptide"	""	""	""	""	"135652197"	"0"	""	""	""	""	""	""	""	""	""	"[Ile<sup>31</sup>,Gln<sup>34</sup>]-PP (human)|human [Ile<sup>31</sup>,Gln<sup>34</sup>] pancreatic peptide"	""	""	""	""	""	""
"1796"	"[Ile<sup>5</sup>,Glu<sup>19</sup>]PTHrP-(1-34) (human)"	""	"Peptide"	""	""	""	""	"135652198"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1795"	"[Ile<sup>5</sup>,Glu<sup>19</sup>,Val<sup>21</sup>]PTHrP-(1-34) (human)"	""	"Peptide"	""	""	""	""	"135652199"	"0"	""	""	""	""	""	""	""	""	""	"[Ile<sup>5</sup>,Glu<sup>19</sup>,Val<sup>21</sup>]-PTHrP 1-34 (human)"	""	""	""	""	""	""
"1803"	"[Ile<sup>5</sup>]PTHrP-(1-34) (human)"	""	"Peptide"	""	""	""	""	"135652200"	"0"	""	""	""	""	""	""	""	""	""	"[Ile<sup>5</sup>]-PTHrP 1-34  (human)"	""	""	""	""	""	""
"1825"	"[Ile<sup>5</sup>]PTHrP-(1-36)"	""	"Peptide"	""	""	""	""	"135652201"	"0"	""	""	""	""	""	""	""	""	""	"[Ile<sup>5</sup>]-PTHrP 1-36"	""	""	""	""	""	""
"1804"	"[Ile<sup>5</sup>]PTHrP-(1-36) (human)"	""	"Peptide"	""	""	""	""	"135652202"	"0"	""	""	""	""	""	""	""	""	""	"[Ile<sup>5</sup>]-PTHrP 1-36 (human)"	""	""	""	""	""	""
"1798"	"[Ile<sup>5</sup>,Trp<sup>23</sup>]PTHrP-(1-36) (human)"	""	"Peptide"	""	""	""	""	"135652203"	"0"	""	""	""	""	""	""	""	""	""	"[Ile<sup>5</sup>,Trp<sup>23</sup>]-PTHrP 1-36 (human)"	""	""	""	""	""	""
"1799"	"[Ile<sup>5</sup>,Trp<sup>23</sup>]PTHrP-(2-36) (human)"	""	"Peptide"	""	""	""	""	"135652204"	"0"	""	""	""	""	""	""	""	""	""	"[Ile<sup>5</sup>,Trp<sup>23</sup>]-PTHrP 2-36 (human)"	""	""	""	""	""	""
"1800"	"[Ile<sup>5</sup>,Trp<sup>23</sup>]PTHrP-(3-36) (human)"	""	"Peptide"	""	""	""	""	"135652205"	"0"	""	""	""	""	""	""	""	""	""	"[Ile<sup>5</sup>,Trp<sup>23</sup>]-PTHrP 3-36 (human)"	""	""	""	""	""	""
"1801"	"[Ile<sup>5</sup>,Trp<sup>23</sup>]PTHrP-(4-36) (human)"	""	"Peptide"	""	""	""	""	"135652206"	"0"	""	""	""	""	""	""	""	""	""	"[Ile<sup>5</sup>,Trp<sup>23</sup>]-PTHrP 4-36 (human)"	""	""	""	""	""	""
"1821"	"[Ile<sup>5</sup>,Trp<sup>23</sup>]PTHrP-(5-36)"	""	"Peptide"	""	""	""	""	"135652207"	"0"	""	""	""	""	""	""	""	""	""	"[Ile<sup>5</sup>,Trp<sup>23</sup>]-PTHrP 5-36"	""	""	""	""	""	""
"1824"	"[Ile<sup>5</sup>,Trp<sup>23</sup>]PTHrP-(5-36) (human)"	""	"Peptide"	""	""	""	""	"135652208"	"0"	""	""	""	""	""	""	""	""	""	"[Ile<sup>5</sup>,Trp<sup>23</sup>]-PTHrP 5-36 (human)"	""	""	""	""	""	""
"1797"	"[Ile<sup>5</sup>,Trp<sup>23</sup>,Tyr<sup>36</sup>]PTHrP-(1-36)-NH<sub>2</sub> (human)"	""	"Peptide"	""	""	""	""	"135652209"	"0"	""	""	""	""	""	""	""	""	""	"[Ile<sup>5</sup>,Trp<sup>23</sup>,Tyr<sup>36</sup>]-PTHrP 1-36-NH<sub>2</sub> (human)"	""	""	""	""	""	""
"1802"	"[Ile<sup>5</sup>,Val<sup>21</sup>]PTHrP-(1-34) (human)"	""	"Peptide"	""	""	""	""	"135652210"	"0"	""	""	""	""	""	""	""	""	""	"[Ile<sup>5</sup>,Val<sup>21</sup>]-PTHrP 1-34 (human)"	""	""	""	""	""	""
"7839"	"ilginatinib"	""	"Synthetic organic"	""	""	""	""	"223366170"	"46866319"	""	""	""	""	""	""	""	"-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine"	"ilginatinib"	"NS-018|NS018"	"Fc1ccc(cc1)[C@@H](Nc1nc(Nc2cnccn2)cc(c1)c1cnn(c1)C)C"	"UQTPDWDAYHAZNT-AWEZNQCLSA-N"	"InChI=1S/C21H20FN7/c1-14(15-3-5-18(22)6-4-15)26-19-9-16(17-11-25-29(2)13-17)10-20(27-19)28-21-12-23-7-8-24-21/h3-14H,1-2H3,(H2,24,26,27,28)/t14-/m0/s1"	""	""	""
"8770"	"illudalic acid"	""	"Synthetic organic"	""	""	""	""	"252827428"	"3653077"	""	""	"CHEMBL506661"	""	""	""	""	"3,6-dihydroxy-8,8-dimethyl-1-oxo-3,4,7,9-tetrahydrocyclopenta[h]isochromene-5-carbaldehyde"	""	""	"O=Cc1c(O)c2CC(Cc2c2c1CC(O)OC2=O)(C)C"	"BDEDPKFUFGCVCJ-UHFFFAOYSA-N"	"InChI=1S/C15H16O5/c1-15(2)4-8-9(5-15)13(18)10(6-16)7-3-11(17)20-14(19)12(7)8/h6,11,17-18H,3-5H2,1-2H3"	""	""	""
"7409"	"ilomastat"	""	"Synthetic organic"	""	""	""	""	"178103981"	"132519"	""	""	"CHEMBL19611"	""	""	""	""	"(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-methylamino-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide"	"ilomastat"	"CS 610|GM 6001"	"ONC(=O)C[C@H](C(=O)N[C@H](C(=O)NC)Cc1c[nH]c2c1cccc2)CC(C)C"	"NITYDPDXAAFEIT-DYVFJYSZSA-N"	"InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1"	""	""	""
"87"	"iloperidone"	""	"Synthetic organic"	"yes"	""	""	""	"135650377"	"71360"	""	""	"CHEMBL14376"	""	""	""	""	"1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone"	"iloperidone"	"Fanapt&reg;|HP-873"	"COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C"	"XMXHEBAFVSFQEX-UHFFFAOYSA-N"	"InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3"	""	""	""
"1895"	"iloprost"	""	"Synthetic organic"	"yes"	""	""	""	"135650378"	"6435378"	""	""	"CHEMBL236025"	""	""	""	""	"(5E)-5-[(3aS,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid"	"iloprost"	"Aurlumyn&reg;|Ventavis&reg;"	"CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C"	"HIFJCPQKFCZDDL-SGSAMSKHSA-N"	"InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18?,19-,20+,21+/m0/s1"	"yes"	""	""
"9914"	"ilorasertib"	""	"Synthetic organic"	""	""	""	""	"363894208"	"46207586"	""	""	"CHEMBL1980297"	""	""	""	""	"1-[4-[4-amino-7-[1-(2-hydroxyethyl)pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea"	"ilorasertib"	"A-968660|ABT 348|ABT-348|ABT348"	"OCCn1ncc(c1)c1cnc(c2c1scc2c1ccc(cc1)NC(=O)Nc1cccc(c1)F)N"	"WPHKIQPVPYJNAX-UHFFFAOYSA-N"	"InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)"	""	""	""
"11670"	"ilunocitinib"	""	"Synthetic organic"	""	""	""	""	"442878696"	"44231134"	""	""	""	""	""	""	""	"2-[1-cyclopropylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile"	"ilunocitinib"	"LY-3411067|LY3411067"	"C1CC1S(=O)(=O)N1CC(C1)(CC#N)n1cc(cn1)c1c2cc[nH]c2ncn1"	"RVOUEXFKIYNODQ-UHFFFAOYSA-N"	"InChI=1S/C17H17N7O2S/c18-5-4-17(9-23(10-17)27(25,26)13-1-2-13)24-8-12(7-22-24)15-14-3-6-19-16(14)21-11-20-15/h3,6-8,11,13H,1-2,4,9-10H2,(H,19,20,21)"	""	""	""
"8017"	"IM-12"	""	"Synthetic organic"	""	""	""	""	"249565697"	"25209788"	""	""	"CHEMBL1254896"	""	""	""	""	"3-[2-(4-fluorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione"	""	""	"Fc1ccc(cc1)CCNC1=C(C(=O)N(C1=O)C)c1c(C)[nH]c2c1cccc2"	"ZKJAZFUFPPSFCO-UHFFFAOYSA-N"	"InChI=1S/C22H20FN3O2/c1-13-18(16-5-3-4-6-17(16)25-13)19-20(22(28)26(2)21(19)27)24-12-11-14-7-9-15(23)10-8-14/h3-10,24-25H,11-12H2,1-2H3"	""	""	""
"9805"	"imaprelimab"	""	"Antibody"	""	""	""	""	"354702277"	"0"	""	""	""	""	""	""	""	""	"imaprelimab"	"PRX-003|PRX003"	""	""	""	"yes"	""	""
"11153"	"imaradenant"	""	"Synthetic organic"	""	""	""	""	"434122213"	"86676119"	""	""	""	""	""	""	""	""	"imaradenant"	"AZD-4635|AZD4635"	"Nc1nnc(c(n1)c1ccc(cc1)F)c1cc(C)nc(c1)Cl"	"NCWQLHHDGDXIJN-UHFFFAOYSA-N"	"InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)"	"yes"	""	""
"5687"	"imatinib"	""	"Synthetic organic"	"yes"	""	""	""	"178102314"	"5291"	""	""	"CHEMBL941"	""	""	""	""	"N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide"	"imatinib"	"CGP 57148|Gleevec&reg;|Glivec&reg;|STI571"	"CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C"	"KTUFNOKKBVMGRW-UHFFFAOYSA-N"	"InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)"	"yes"	""	"yes"
"10034"	"IMB-808"	""	"Synthetic organic"	""	""	""	""	"375973222"	"8001903"	""	""	"CHEMBL1316881"	""	""	""	""	"N-methyl-N-[2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide"	""	""	"O=C(Nc1ccc(c(c1F)F)F)CN(C(=O)c1ccc2c(c1)OCCO2)C"	"XITZPIXICJOKTF-UHFFFAOYSA-N"	"InChI=1S/C18H15F3N2O4/c1-23(9-15(24)22-12-4-3-11(19)16(20)17(12)21)18(25)10-2-5-13-14(8-10)27-7-6-26-13/h2-5,8H,6-7,9H2,1H3,(H,22,24)"	""	""	""
"1249"	"imbutamine"	""	"Synthetic organic"	""	""	""	""	"135650379"	"13499360"	""	""	"CHEMBL90019"	""	""	""	""	"4-(3H-imidazol-4-yl)butan-1-amine"	""	""	"NCCCCc1cnc[nH]1"	"VJSUMPPMFYQOMP-UHFFFAOYSA-N"	"InChI=1S/C7H13N3/c8-4-2-1-3-7-5-9-6-10-7/h5-6H,1-4,8H2,(H,9,10)"	""	""	""
"11328"	"imdevimab"	""	"Antibody"	"yes"	""	""	""	"434321763"	"0"	""	""	""	""	""	""	""	""	"imdevimab"	"REGN-10987|REGN10987|Ronapreve&reg; (imdevimab + casirivimab)"	""	""	""	""	""	""
"2287"	"<i>meta</i>-chlorphenylbiguanide"	""	"Synthetic organic"	""	""	""	""	"135650380"	"1354"	""	""	"CHEMBL13790"	""	""	""	""	"2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine"	""	"1-(3-chlorophenyl)biguanide|3-chlorophenyl-biguanide|m-chlorophenylbiguanide|mCPBG"	"Clc1cccc(c1)N=C(N=C(N)N)N"	"DIHXJZHAIHGSAW-UHFFFAOYSA-N"	"InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)"	""	""	""
"13625"	"imetelstat"	""	"Nucleic acid"	"yes"	""	""	""	"504705444"	"72941969"	""	""	"CHEMBL2107856"	""	""	""	""	""	"imetelstat"	"GRN-163|GRN163|Rytelo&reg;"	"CCCCCCCCCCCCCCCC(=O)NCC(COP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)NP(=S)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C(N=CN=C54)N)NP(=S)(O)OC[C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C7N=C(NC8=O)N)NP(=S)(O)OC[C@@H]9[C@H](C[C@@H](O9)N%10C=NC%11=C%10N=C(NC%11=O)N)NP(=S)(O)OC[C@@H]%12[C@H](C[C@@H](O%12)N%13C=NC%14=C%13N=C(NC%14=O)N)NP(=S)(O)OC[C@@H]%15[C@H](C[C@@H](O%15)N%16C=C(C(=O)NC%16=O)C)NP(=S)(O)OC[C@@H]%17[C@H](C[C@@H](O%17)N%18C=C(C(=O)NC%18=O)C)NP(=S)(O)OC[C@@H]%19[C@H](C[C@@H](O%19)N%20C=NC%21=C(N=CN=C%21%20)N)NP(=S)(O)OC[C@@H]%22[C@H](C[C@@H](O%22)N%23C=NC%24=C%23N=C(NC%24=O)N)NP(=S)(O)OC[C@@H]%25[C@H](C[C@@H](O%25)N%26C=NC%27=C(N=CN=C%27%26)N)NP(=S)(O)OC[C@@H]%28[C@H](C[C@@H](O%28)N%29C=CC(=NC%29=O)N)NP(=S)(O)OC[C@@H]%30[C@H](C[C@@H](O%30)N%31C=NC%32=C(N=CN=C%32%31)N)NP(=S)(O)OC[C@@H]%33[C@H](C[C@@H](O%33)N%34C=NC%35=C(N=CN=C%35%34)N)N)O"	"LVZYXEALRXBLJZ-ISQYCPACSA-N"	"InChI=1S/C148H211N68O53P13S13/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-97(218)160-34-69(217)38-255-282(242,295)256-51-95-74(25-102(261-95)207-37-68(4)136(221)191-148(207)229)195-274(234,287)249-45-89-78(29-106(264-89)212-61-175-115-124(155)165-56-170-129(115)212)199-277(237,290)252-48-92-81(32-109(267-92)215-64-178-118-132(215)183-143(158)187-139(118)224)202-280(240,293)254-50-94-82(33-110(269-94)216-65-179-119-133(216)184-144(159)188-140(119)225)203-281(241,294)253-49-93-79(30-107(268-93)213-62-176-116-130(213)181-141(156)185-137(116)222)200-278(238,291)246-42-86-72(23-100(260-86)205-35-66(2)134(219)189-146(205)227)193-272(232,285)245-41-85-73(24-101(259-85)206-36-67(3)135(220)190-147(206)228)194-273(233,286)248-44-88-77(28-105(263-88)211-60-174-114-123(154)164-55-169-128(114)211)198-276(236,289)251-47-91-80(31-108(266-91)214-63-177-117-131(214)182-142(157)186-138(117)223)201-279(239,292)250-46-90-76(27-104(265-90)210-59-173-113-122(153)163-54-168-127(113)210)197-275(235,288)244-40-84-71(22-99(258-84)204-20-19-96(150)180-145(204)226)192-271(231,284)247-43-87-75(26-103(262-87)209-58-172-112-121(152)162-53-167-126(112)209)196-270(230,283)243-39-83-70(149)21-98(257-83)208-57-171-111-120(151)161-52-166-125(111)208/h19-20,35-37,52-65,69-95,98-110,217H,5-18,21-34,38-51,149H2,1-4H3,(H,160,218)(H,242,295)(H2,150,180,226)(H2,151,161,166)(H2,152,162,167)(H2,153,163,168)(H2,154,164,169)(H2,155,165,170)(H,189,219,227)(H,190,220,228)(H,191,221,229)(H2,192,231,284)(H2,193,232,285)(H2,194,233,286)(H2,195,234,287)(H2,196,230,283)(H2,197,235,288)(H2,198,236,289)(H2,199,237,290)(H2,200,238,291)(H2,201,239,292)(H2,202,240,293)(H2,203,241,294)(H3,156,181,185,222)(H3,157,182,186,223)(H3,158,183,187,224)(H3,159,184,188,225)/t69?,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,270?,271?,272?,273?,274?,275?,276?,277?,278?,279?,280?,281?,282?/m0/s1"	""	""	""
"1250"	"imetit"	""	"Synthetic organic"	""	""	""	""	"135650381"	"3692"	""	""	"CHEMBL19439"	""	""	""	""	"2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide"	""	""	"NC(=N)SCCc1cnc[nH]1"	"PEHSVUKQDJULKE-UHFFFAOYSA-N"	"InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)"	"yes"	""	""
"8273"	"imexon"	""	"Synthetic organic"	""	""	""	""	"252166485"	"68791"	""	""	"CHEMBL146428"	""	""	""	""	"4-amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-one"	"imexon"	"Amplimexon&reg; (proposed trade name)|BM 06002|BM-06002"	"NC1=NC(=O)N2C1C2"	"BIXBBIPTYBJTRY-UHFFFAOYSA-N"	"InChI=1S/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)"	""	""	""
"5097"	"<i>m</i>3M3FBS"	""	"Synthetic organic"	""	""	""	""	"178101790"	"761523"	""	""	"CHEMBL1394135"	""	""	""	""	"2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide"	""	""	"Cc1cc(C)c(c(c1)C)S(=O)(=O)Nc1cccc(c1)C(F)(F)F"	"ZIIUUSVHCHPIQD-UHFFFAOYSA-N"	"InChI=1S/C16H16F3NO2S/c1-10-7-11(2)15(12(3)8-10)23(21,22)20-14-6-4-5-13(9-14)16(17,18)19/h4-9,20H,1-3H3"	""	""	""
"142"	"<i>m</i>-chlorophenylpiperazine"	""	"Synthetic organic"	""	""	""	""	"135650382"	"1355"	""	""	"CHEMBL478"	""	""	""	""	"1-(3-Chlorophenyl)piperazine"	""	"1-(m-chlorophenyl)piperazine|m-CPP|meta chlorophenyl piperazine"	"Clc1cccc(c1)N1CCNCC1"	"VHFVKMTVMIZMIK-UHFFFAOYSA-N"	"InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2"	""	""	""
"6377"	"imidapril"	""	"Synthetic organic"	"yes"	""	""	""	"178102995"	"5464343"	""	""	"CHEMBL317094"	""	""	""	""	"(4S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid"	"imidapril"	"imidapril hydrochloride"	"CCOC(=O)[C@@H](N[C@H](C(=O)N1C(=O)N(C[C@H]1C(=O)O)C)C)CCc1ccccc1"	"KLZWOWYOHUKJIG-BPUTZDHNSA-N"	"InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1"	""	""	""
"6378"	"imidaprilat"	""	"Synthetic organic"	"yes"	""	""	""	"178102996"	"5464344"	""	""	"CHEMBL99701"	""	""	""	""	"(4S)-3-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid"	"imidaprilat"	""	"C[C@@H](C(=O)N1C(=O)N(C[C@H]1C(=O)O)C)N[C@H](C(=O)O)CCc1ccccc1"	"VFAVNRVDTAPBNR-UBHSHLNASA-N"	"InChI=1S/C18H23N3O6/c1-11(15(22)21-14(17(25)26)10-20(2)18(21)27)19-13(16(23)24)9-8-12-6-4-3-5-7-12/h3-7,11,13-14,19H,8-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,13-,14-/m0/s1"	""	""	""
"13930"	"imidazole ketone erastin"	""	"Synthetic organic"	""	""	""	""	"513757615"	"91824786"	""	""	"CHEMBL3629671"	""	""	""	""	""	""	"IKE"	"CC(C)OC1=C(C=C(C=C1)C(=O)CN2C=CN=C2)N3C(=NC4=CC=CC=C4C3=O)CN5CCN(CC5)C(=O)COC6=CC=C(C=C6)Cl"	"PSPXJPWGVFNGQI-UHFFFAOYSA-N"	"InChI=1S/C35H35ClN6O5/c1-24(2)47-32-12-7-25(31(43)20-40-14-13-37-23-40)19-30(32)42-33(38-29-6-4-3-5-28(29)35(42)45)21-39-15-17-41(18-16-39)34(44)22-46-27-10-8-26(36)9-11-27/h3-14,19,23-24H,15-18,20-22H2,1-2H3"	""	""	""
"2675"	"imiglitazar"	""	"Synthetic organic"	""	""	""	""	"135650383"	"9890879"	""	""	"CHEMBL592054"	""	""	""	""	"(4E)-4-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-4-phenylbutanoic acid"	"imiglitazar"	"TAK-559"	"OC(=O)CC/C(=N\OCc1ccc(cc1)OCc1nc(oc1C)c1ccccc1)/c1ccccc1"	"ULVDFHLHKNJICZ-QCWLDUFUSA-N"	"InChI=1S/C28H26N2O5/c1-20-26(29-28(35-20)23-10-6-3-7-11-23)19-33-24-14-12-21(13-15-24)18-34-30-25(16-17-27(31)32)22-8-4-2-5-9-22/h2-15H,16-19H2,1H3,(H,31,32)/b30-25+"	""	""	""
"3470"	"imiloxan"	""	"Synthetic organic"	""	""	""	""	"178100464"	"133621"	""	""	"CHEMBL347695"	""	""	""	""	"2-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1-ethylimidazole"	"imiloxan"	"GNF-Pf-2156|RS-21361"	"CCn1ccnc1CC1COc2c(O1)cccc2"	"UXABARREKCJULM-UHFFFAOYSA-N"	"InChI=1S/C14H16N2O2/c1-2-16-8-7-15-14(16)9-11-10-17-12-5-3-4-6-13(12)18-11/h3-8,11H,2,9-10H2,1H3"	""	""	""
"10821"	"imipenem"	""	"Synthetic organic"	"yes"	""	""	""	"405560262"	"104838"	""	""	"CHEMBL148"	""	""	""	""	"(5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	"imipenem"	"MK-0787|MK0787|Primaxin&reg; (imipenem + cilastatin)|Recarbrio&reg; (imipenem + cilastatin + relebactam)."	"C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O"	"ZSKVGTPCRGIANV-ZXFLCMHBSA-N"	"InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1"	""	""	"yes"
"357"	"imipramine"	""	"Synthetic organic"	"yes"	""	""	""	"135650384"	"3696"	""	""	"CHEMBL11"	""	""	""	""	"3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine"	"imipramine"	"imidobenzyle|Tofranil&reg;"	"CN(CCCN1c2ccccc2CCc2c1cccc2)C"	"BCGWQEUPMDMJNV-UHFFFAOYSA-N"	"InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3"	""	""	""
"5003"	"imiquimod"	""	"Synthetic organic"	"yes"	""	""	""	"178101700"	"57469"	""	""	"CHEMBL1282"	""	""	""	""	"1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine"	"imiquimod"	"Aldara&reg;|R837|S-26308|Zyclara&reg;"	"CC(Cn1cnc2c1c1ccccc1nc2N)C"	"DOUYETYNHWVLEO-UHFFFAOYSA-N"	"InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)"	"yes"	""	""
"12896"	"imlunestrant"	""	"Synthetic organic"	"yes"	""	""	""	"485206017"	"146603228"	""	""	"CHEMBL5095183"	""	""	""	""	"(5R)-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-8-(trifluoromethyl)-5H-chromeno[4,3-c]quinolin-2-ol"	"imlunestrant"	"Example 1B {WO2020014435A1]|Inluriyo&reg;|LY-3484356|LY3484356"	"C1C(CN1CCOC2=CC=C(C=C2)[C@@H]3C4=C5C=CC(=CC5=NC=C4C6=C(O3)C=C(C=C6)C(F)(F)F)O)CF"	"UVBQMXOKKDCBJN-MUUNZHRXSA-N"	"InChI=1S/C29H24F4N2O3/c30-13-17-15-35(16-17)9-10-37-21-5-1-18(2-6-21)28-27-23-8-4-20(36)12-25(23)34-14-24(27)22-7-3-19(29(31,32)33)11-26(22)38-28/h1-8,11-12,14,17,28,36H,9-10,13,15-16H2/t28-/m1/s1"	""	""	""
"1251"	"immepip"	""	"Synthetic organic"	""	""	""	""	"135650385"	"3035842"	""	""	"CHEMBL18661"	""	""	""	""	"4-(3H-imidazol-4-ylmethyl)piperidine"	""	""	"N1CCC(CC1)Cc1[nH]cnc1"	"MCNGUYXRBCIGOV-UHFFFAOYSA-N"	"InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)"	"yes"	""	""
"4024"	"immethridine"	""	"Synthetic organic"	""	""	""	""	"178100850"	"9989505"	""	""	"CHEMBL82298"	""	""	""	""	"4-(3H-imidazol-4-ylmethyl)pyridine"	""	""	"n1ccc(cc1)Cc1c[nH]cn1"	"DFVSGZHJSIEEQQ-UHFFFAOYSA-N"	"InChI=1S/C9H9N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h1-4,6-7H,5H2,(H,11,12)"	""	""	""
"10462"	"imnopitant"	""	"Synthetic organic"	""	""	""	""	"385612222"	"9808518"	""	""	"CHEMBL206488"	""	""	""	""	"N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide"	"imnopitant"	"compound 20 [PMID: 16332435]"	"CN1CCN(CC1)c1ncc(c(c1)c1ccccc1C)C(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C"	"HCNNJLLLMSVTFH-UHFFFAOYSA-N"	"InChI=1S/C28H28F6N4O/c1-18-6-4-5-7-22(18)23-15-25(38-10-8-36(2)9-11-38)35-16-24(23)26(39)37(3)17-19-12-20(27(29,30)31)14-21(13-19)28(32,33)34/h4-7,12-16H,8-11,17H2,1-3H3"	""	""	""
"13223"	"imocitrelvir"	""	"Synthetic organic"	""	""	""	""	"491300005"	"5280053"	""	""	"CHEMBL141157"	""	""	""	""	"ethyl (E,4S)-4-[[(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxopyridin-1-yl]pent-4-ynoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate"	"imocitrelvir"	"AG-7404|AG7404|compound 1 [PMID: 23499651]"	"CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC#C)N2C=CC=C(C2=O)NC(=O)C3=NOC(=C3)C"	"QCUZOJBYWQPLIN-BNMFZAHFSA-N"	"InChI=1S/C26H29N5O7/c1-4-7-21(31-13-6-8-19(26(31)36)29-24(34)20-14-16(3)38-30-20)25(35)28-18(9-10-22(32)37-5-2)15-17-11-12-27-23(17)33/h1,6,8-10,13-14,17-18,21H,5,7,11-12,15H2,2-3H3,(H,27,33)(H,28,35)(H,29,34)/b10-9+/t17-,18+,21-/m0/s1"	""	""	""
"11850"	"IMP-1002"	""	"Synthetic organic"	""	""	""	""	"461663406"	"138393366"	""	""	""	""	""	""	""	"1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine"	""	""	"Cc1c(c(nn1C)C)CCOc1c(ccc(c1)F)c1cc2c(cc1)n(nc2CN(C)C)C"	"YEOAAQMCKFJWKF-UHFFFAOYSA-N"	"InChI=1S/C25H30FN5O/c1-16-20(17(2)30(5)27-16)11-12-32-25-14-19(26)8-9-21(25)18-7-10-24-22(13-18)23(15-29(3)4)28-31(24)6/h7-10,13-14H,11-12,15H2,1-6H3"	""	"yes"	""
"13338"	"impanoflast"	""	"Synthetic organic"	""	""	""	""	"496703308"	"162749590"	""	""	""	""	""	""	""	"1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-4-yl)-[[(2S)-oxolan-2-yl]methyl]sulfamoyl]urea"	"impanoflast"	"NT-0249|NT0249"	"CN1C=C(C=N1)N(C[C@@H]2CCCO2)S(=O)(=O)NC(=O)NC3=C4CCCC4=CC5=C3CCC5"	"BISMWMMNUMFVKI-SFHVURJKSA-N"	"InChI=1S/C22H29N5O4S/c1-26-13-17(12-23-26)27(14-18-7-4-10-31-18)32(29,30)25-22(28)24-21-19-8-2-5-15(19)11-16-6-3-9-20(16)21/h11-13,18H,2-10,14H2,1H3,(H2,24,25,28)/t18-/m0/s1"	"yes"	""	""
"1252"	"impentamine"	""	"Synthetic organic"	""	""	""	""	"135650386"	"9793868"	""	""	"CHEMBL417096"	""	""	""	""	"5-(3H-imidazol-4-yl)pentan-1-amine"	""	"PDSP1_000940|PDSP2_000926"	"NCCCCCc1cnc[nH]1"	"MZCJWLAXZRFUPI-UHFFFAOYSA-N"	"InChI=1S/C8H15N3/c9-5-3-1-2-4-8-6-10-7-11-8/h6-7H,1-5,9H2,(H,10,11)"	""	""	""
"1276"	"improgan"	""	"Synthetic organic"	""	""	""	""	"135650387"	"10058807"	""	""	"CHEMBL2261340"	""	""	""	""	"3-cyano-1-[3-(3H-imidazol-4-yl)propyl]-2-methylguanidine"	""	""	"CN=C(NC#N)NCCCc1cnc[nH]1"	"CXTGREPICTYOGB-UHFFFAOYSA-N"	"InChI=1S/C9H14N6/c1-11-9(14-6-10)13-4-2-3-8-5-12-7-15-8/h5,7H,2-4H2,1H3,(H,12,15)(H2,11,13,14)"	""	""	""
"1226"	"impromidine"	""	"Synthetic organic"	""	""	""	""	"135650388"	"41376"	""	""	"CHEMBL12608"	""	""	""	""	"2-[3-(3H-imidazol-4-yl)propyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine"	"impromidine"	"SK&F-92676-A3"	"NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C"	"MURRAGMMNAYLNA-UHFFFAOYSA-N"	"InChI=1S/C14H23N7S/c1-11-13(21-10-19-11)8-22-6-5-18-14(15)17-4-2-3-12-7-16-9-20-12/h7,9-10H,2-6,8H2,1H3,(H,16,20)(H,19,21)(H3,15,17,18)"	"yes"	""	""
"11362"	"IMR-1"	""	"Synthetic organic"	""	""	""	""	"440816731"	"1246059"	""	""	""	""	""	""	""	"ethyl 2-[2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate"	""	""	"CCOC(=O)COc1ccc(cc1OC)/C=C\1/SC(=S)NC1=O"	"QHPJWPQRZMBKTG-KPKJPENVSA-N"	"InChI=1S/C15H15NO5S2/c1-3-20-13(17)8-21-10-5-4-9(6-11(10)19-2)7-12-14(18)16-15(22)23-12/h4-7H,3,8H2,1-2H3,(H,16,18,22)/b12-7+"	""	""	""
"14553"	"imsidolimab"	""	"Antibody"	""	""	""	""	"528429874"	"0"	""	""	""	""	""	""	""	""	"imsidolimab"	"ANB-019|ANB019"	""	""	""	"yes"	""	""
"4648"	"<i>muco</i>-inositol"	""	"Metabolite"	""	""	""	""	"178101365"	"892"	""	""	"CHEMBL278373"	""	""	""	""	"(1R,2R,3S,4R,5r,6S)-cyclohexane-1,2,3,4,5,6-hexol"	""	""	"O[C@@H]1[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)O"	"CDAISMWEOUEBRE-GNIYUCBRSA-N"	"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5+,6+"	""	""	""
"4495"	"<i>myo</i>-inositol"	""	"Metabolite"	""	""	""	""	"178101223"	"892"	""	""	"CHEMBL1222251"	""	""	""	""	"(1R,2R,3r,4S,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol"	""	"D-myo-inositol"	"O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O"	"CDAISMWEOUEBRE-GPIVLXJGSA-N"	"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-"	""	""	""
"5584"	"IN-3"	""	"Synthetic organic"	""	""	""	""	"178102219"	"10231401"	""	""	"CHEMBL314260"	""	""	""	""	"1-(3-azabicyclo[2.2.2]octan-3-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-(2-pyridin-4-ylethylamino)propan-2-yl]-1H-indol-5-yl]-2-methylpropan-1-one"	""	"analogue 24 [PMID: 11551758]|IN 3"	"Cc1cc(C)cc(c1)c1[nH]c2c(c1[C@@H](CNCCc1ccncc1)C)cc(cc2)C(C(=O)N1CC2CCC1CC2)(C)C"	"GGVFLXSCFPVLMS-WPCLDFDBSA-N"	"InChI=1S/C37H46N4O/c1-24-18-25(2)20-29(19-24)35-34(26(3)22-39-17-14-27-12-15-38-16-13-27)32-21-30(8-11-33(32)40-35)37(4,5)36(42)41-23-28-6-9-31(41)10-7-28/h8,11-13,15-16,18-21,26,28,31,39-40H,6-7,9-10,14,17,22-23H2,1-5H3/t26-,28?,31?/m1/s1"	""	""	""
"7202"	"inamrinone"	""	"Synthetic organic"	"yes"	""	""	""	"178103777"	"3698"	""	""	"CHEMBL12856"	""	""	""	""	"3-amino-5-(pyridin-4-yl)pyridin-2-ol"	"amrinone"	"amrinone lactate|Inocor&reg;|WIN-40680"	"Oc1ncc(cc1N)c1ccncc1"	"RNLQIBCLLYYYFJ-UHFFFAOYSA-N"	"InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)"	""	""	""
"9636"	"inavolisib"	""	"Synthetic organic"	"yes"	""	""	""	"340590266"	"124173720"	""	""	""	""	""	""	""	"(2S)-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide"	"inavolisib"	"GDC-0077|GDC0077|Itovebi&reg;|RG6114|Ro7113755"	"NC(=O)[C@@H](Nc1ccc2c(c1)OCCn1c2nc(c1)N1C(=O)OC[C@H]1C(F)F)C"	"SGEUNORSOZVTOL-CABZTGNLSA-N"	"InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1"	""	""	""
"11593"	"inbakicept"	""	"Peptide"	""	""	""	""	"442878627"	"0"	""	""	""	""	""	""	""	""	"inbakicept"	"15RalphaSu-Fc"	""	""	""	""	""	""
"11528"	"INCB086550"	""	"Synthetic organic"	""	""	""	""	"441604900"	"135146787"	""	""	""	""	""	""	""	"(3R)-1-[[7-cyano-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid"	""	""	"N#Cc1cc(CN2CC[C@H](C2)C(=O)O)cc2c1oc(n2)c1cccc(c1C)c1cccc(c1C)Nc1nccc2c1ncc(c2)CN1CC[C@H](C1)O"	"QARLNMDDSQMINK-BVRKHOPBSA-N"	"InChI=1S/C41H39N7O4/c1-24-32(5-3-7-34(24)40-46-36-17-26(15-30(18-42)38(36)52-40)20-47-13-10-29(22-47)41(50)51)33-6-4-8-35(25(33)2)45-39-37-28(9-12-43-39)16-27(19-44-37)21-48-14-11-31(49)23-48/h3-9,12,15-17,19,29,31,49H,10-11,13-14,20-23H2,1-2H3,(H,43,45)(H,50,51)/t29-,31-/m1/s1"	""	""	""
"14702"	"INCB127443"	""	"Synthetic organic"	""	""	""	""	""	"156066083"	""	""	"CHEMBL5809121"	""	""	""	""	"4-[1-[4-(azetidin-1-ylmethyl)-2-chloro-3-fluorophenyl]imidazol-4-yl]-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine"	""	"compound 30 [Mukai <i>et al</i>., 2026]|INCB-127443"	"CS(=O)(=O)N1CCC(CC1)NC2=NC=C(C(=N2)C3=CN(C=N3)C4=CC=C(CN5CCC5)C(F)=C4Cl)C(F)(F)F"	"UFHFULSQMZNSQW-UHFFFAOYSA-N"	"InChI=1S/C24H26ClF4N7O2S/c1-39(37,38)36-9-5-16(6-10-36)32-23-30-11-17(24(27,28)29)22(33-23)18-13-35(14-31-18)19-4-3-15(21(26)20(19)25)12-34-7-2-8-34/h3-4,11,13-14,16H,2,5-10,12H2,1H3,(H,30,32,33)"	""	""	""
"12121"	"INCB13739"	""	"Synthetic organic"	""	""	""	""	"472319243"	"66662059"	""	""	""	""	""	""	""	"N-methyl-5-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-2-carboxamide"	""	"Compound 39 [PMID: 35537608]"	"N(C)C(=O)c1ccc(cn1)c1ccc(cc1)C1(CC1)C(=O)N1CC[C@@]2(C1)OC(=O)c1c2cccc1"	"BDQCDIWFPIDPQU-NDEPHWFRSA-N"	"InChI=1S/C28H25N3O4/c1-29-24(32)23-11-8-19(16-30-23)18-6-9-20(10-7-18)27(12-13-27)26(34)31-15-14-28(17-31)22-5-3-2-4-21(22)25(33)35-28/h2-11,16H,12-15,17H2,1H3,(H,29,32)/t28-/m0/s1"	""	""	""
"9045"	"INCB3284"	""	"Synthetic organic"	""	""	""	""	"315661130"	"11527661"	""	""	""	""	""	""	""	"N-[2-[[(3R)-1-[4-hydroxy-4-(6-methoxypyridin-3-yl)cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide"	""	"compound 13 [PMID: 24900329]|INCB 3284"	"COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F"	"NXZNYBUBXWWKCP-JMOWIOHXSA-N"	"InChI=1S/C26H31F3N4O4/c1-37-23-6-5-19(14-30-23)25(36)10-7-21(8-11-25)33-12-9-20(16-33)32-22(34)15-31-24(35)17-3-2-4-18(13-17)26(27,28)29/h2-6,13-14,20-21,36H,7-12,15-16H2,1H3,(H,31,35)(H,32,34)/t20-,21?,25?/m1/s1"	"yes"	""	""
"777"	"INCB3344"	""	"Synthetic organic"	""	""	""	""	"135650389"	"10008367"	""	""	"CHEMBL2426341"	""	""	""	""	""	""	"INCB 3344"	"CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2"	"MZEOSVPWMSEFPW-UTWBDPIXSA-N"	"InChI=1S/C29H34F3N3O6/c1-2-39-25-16-35(21-8-10-28(38,11-9-21)19-6-7-23-24(13-19)41-17-40-23)15-22(25)34-26(36)14-33-27(37)18-4-3-5-20(12-18)29(30,31)32/h3-7,12-13,21-22,25,38H,2,8-11,14-17H2,1H3,(H,33,37)(H,34,36)/t21-,22-,25-,28-/m0/s1"	""	""	""
"8679"	"INCB3619"	""	"Synthetic organic"	""	""	""	""	"252166879"	"11625778"	""	""	"CHEMBL434567"	""	""	""	""	"methyl (5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl3,6-dihydro-2H-pyridine-1-carbonyl)-7-azaspiro[2.5]octane-7-carboxylate"	""	"compound 52|INCB-3619"	"ONC(=O)[C@H]1CC2(CC2)CN([C@@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)OC"	"CKZHFOKQZRZCPF-ROUUACIJSA-N"	"InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1"	""	""	""
"8982"	"INCB-38579"	""	"Synthetic organic"	""	""	""	""	"310264762"	"117072554"	""	""	""	""	""	""	""	"1-{7-[2-amino-6-(4-methylpiperazin-1-yl)-1,2-dihydropyrimidin-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-3-cyclopentylpropan-1-one"	""	""	"CN1CCN(CC1)C1=CC(=NC(N1)N)c1ccc2c(c1)CN(CC2)C(=O)CCC1CCCC1"	"JZAGLPUCLXBELH-UHFFFAOYSA-N"	"InChI=1S/C26H38N6O/c1-30-12-14-31(15-13-30)24-17-23(28-26(27)29-24)21-8-7-20-10-11-32(18-22(20)16-21)25(33)9-6-19-4-2-3-5-19/h7-8,16-17,19,26,29H,2-6,9-15,18,27H2,1H3"	""	""	""
"9032"	"INCB8761"	""	"Synthetic organic"	""	""	""	""	"315661117"	"11192346"	""	""	"CHEMBL2029422"	""	""	""	""	"N-[2-[(3S)-3-[[4-hydroxy-4-(5-pyrimidin-2-ylpyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide"	""	"compound 17 [PMID: 24900280]|INCB-8761|PF-4136309|PF4136309"	"O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F"	"ZNSVOHSYDRPBGI-CBQRAPNFSA-N"	"InChI=1S/C29H31F3N6O3/c30-29(31,32)21-4-1-3-19(15-21)27(40)36-17-25(39)38-14-9-23(18-38)37-22-7-10-28(41,11-8-22)24-6-5-20(16-35-24)26-33-12-2-13-34-26/h1-6,12-13,15-16,22-23,37,41H,7-11,14,17-18H2,(H,36,40)/t22?,23-,28?/m0/s1"	"yes"	""	""
"4220"	"incensole acetate"	""	"Synthetic organic"	""	""	""	""	"178101037"	"73755086"	""	""	""	""	""	""	""	"1,5,9-trimethyl-12-(propan-2-yl)-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl acetate"	""	""	"CC(=O)OC1CCC(=CCCC(=CCC2(OC1(C)CC2)C(C)C)C)C"	"HVBACKJYWZTKCA-UHFFFAOYSA-N"	"InChI=1S/C22H36O3/c1-16(2)22-13-12-18(4)9-7-8-17(3)10-11-20(24-19(5)23)21(6,25-22)14-15-22/h8,12,16,20H,7,9-11,13-15H2,1-6H3"	""	""	""
"12312"	"inclacumab"	""	"Antibody"	""	""	""	""	"479821103"	"0"	""	""	""	""	""	""	""	""	"inclacumab"	"HuMab 002|LC1004-002|RO-4905417|RO4905417"	""	""	""	"yes"	""	""
"13624"	"inclisiran"	""	"Nucleic acid"	"yes"	""	""	""	"504705443"	"0"	""	""	"CHEMBL5095052"	""	""	""	""	""	"inclisiran"	"ALN-60212|ALN-PCSsc|Leqvio&reg;"	""	""	""	""	""	""
"7455"	"indacaterol"	""	"Synthetic organic"	"yes"	""	""	""	"187051758"	"6918554"	""	""	"CHEMBL1095777"	""	""	""	""	"5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one"	"indacaterol"	"Arcapta Neohaler&reg;|Onbrez&reg;|QAB-149|QAB149"	"CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O"	"QZZUEBNBZAPZLX-QFIPXVFZSA-N"	"InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1"	"yes"	""	""
"512"	"indanidine"	""	"Synthetic organic"	""	""	""	""	"135651040"	"121925"	""	""	"CHEMBL358373"	""	""	""	""	"N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylindazol-4-amine"	"indanidine"	"Sgd 101/75"	"Cn1nc2c(c1)c(ccc2)NC1=NCCN1"	"PNHJTLDBYZVCGW-UHFFFAOYSA-N"	"InChI=1S/C11H13N5/c1-16-7-8-9(3-2-4-10(8)15-16)14-11-12-5-6-13-11/h2-4,7H,5-6H2,1H3,(H2,12,13,14)"	""	""	""
"10949"	"indanomycin"	""	"Natural product"	""	""	""	""	"405560390"	"10345604"	""	""	""	""	""	""	""	"(2R)-2-[(2R,5S,6R)-6-[(3E,5E)-6-[(1S,3aR,4S,5S,7aS)-1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid"	""	"X-14547A"	"CC/C(=C\C=C\[C@@H]1C=C[C@H]2[C@H]([C@@H]1C(=O)c1[nH]ccc1)CC[C@@H]2CC)/[C@@H]1O[C@H](CC[C@@H]1C)[C@H](C(=O)O)C"	"BAIPOTOKPGDCHA-MWBHXQFBSA-N"	"InChI=1S/C31H43NO4/c1-5-21-13-16-25-24(21)15-14-23(28(25)29(33)26-11-8-18-32-26)10-7-9-22(6-2)30-19(3)12-17-27(36-30)20(4)31(34)35/h7-11,14-15,18-21,23-25,27-28,30,32H,5-6,12-13,16-17H2,1-4H3,(H,34,35)/b10-7+,22-9+/t19-,20+,21-,23+,24+,25+,27+,28+,30+/m0/s1"	""	""	"yes"
"7203"	"indapamide"	""	"Synthetic organic"	"yes"	""	""	""	"178103778"	"3702"	""	""	"CHEMBL406"	""	""	""	""	"4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide"	"indapamide"	"Hypen SR&reg;|Lozol&reg;"	"CC1Cc2c(N1NC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl)cccc2"	"NDDAHWYSQHTHNT-UHFFFAOYSA-N"	"InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)"	""	""	""
"12684"	"indinavir"	""	"Synthetic organic"	"yes"	"yes"	""	""	"483123232"	"5362440"	""	""	"CHEMBL115"	""	""	""	""	"(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide"	"indinavir"	"Crixivan&reg;|L 735,524|L-735524|MK-639|MK639"	"CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5"	"CBVCZFGXHXORBI-PXQQMZJSSA-N"	"InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1"	""	""	""
"4221"	"indiplon"	""	"Synthetic organic"	""	""	""	""	"178101038"	"6450813"	""	""	"CHEMBL262075"	""	""	""	""	"N-methyl-N-(3-{3-[(thiophen-2-yl)carbonyl]pyrazolo[1,5-a]pyrimidin-7-yl}phenyl)acetamide"	"indiplon"	""	"CC(=O)N(c1cccc(c1)c1ccnc2n1ncc2C(=O)c1cccs1)C"	"CBIAWPMZSFFRGN-UHFFFAOYSA-N"	"InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3"	""	""	""
"5989"	"indirubin-3'-monoxime"	""	"Synthetic organic"	""	""	""	""	"178102611"	"3707"	""	""	"CHEMBL126077"	""	""	""	""	"3-[3-(hydroxyamino)-1H-indol-2-yl]-2H-indol-2-one"	""	"indirubin-3'-oxime"	"ONc1c([nH]c2c1cccc2)C1=c2ccccc2=NC1=O"	"LDEWQRSYYHTQRA-UHFFFAOYSA-N"	"InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,19,21H"	""	""	""
"5988"	"indirubin derivative E804"	""	"Synthetic organic"	""	""	""	""	"178102610"	"136218975"	""	""	"CHEMBL1802727"	""	""	""	""	"3-{3-[(3,4-dihydroxybutoxy)amino]-1H-indol-2-yl}-2H-indol-2-one"	""	"compound 2 [PMID: 21632247]|indirubin E804"	"OCC(CCONc1c2ccccc2[nH]c1C1=c2ccccc2=NC1=O)O"	"CKLAPOFDFZKCPB-UHFFFAOYSA-N"	"InChI=1S/C20H19N3O4/c24-11-12(25)9-10-27-23-18-14-6-2-4-8-16(14)21-19(18)17-13-5-1-3-7-15(13)22-20(17)26/h1-8,12,21,23-25H,9-11H2"	""	""	""
"7046"	"indisulam"	""	"Synthetic organic"	""	""	""	""	"178103625"	"216468"	""	""	"CHEMBL77517"	""	""	""	""	"N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide"	"indisulam"	"E7070"	"Clc1c[nH]c2c1cccc2NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N"	"SETFNECMODOHTO-UHFFFAOYSA-N"	"InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)"	""	""	""
"4844"	"indocyanine green"	""	"Synthetic organic"	""	""	""	""	"178101545"	"19190"	""	""	"CHEMBL1646"	""	""	""	""	"sodium 4-[2-[(1E,3E,5E,7Z)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate"	""	"cardio-green"	"CC1(C)c2c3ccccc3ccc2[N+](=C1C=CC=CC=CC=C1N(CCCCS(=O)(=O)[O-])c2c(C1(C)C)c1ccccc1cc2)CCCCS(=O)(=O)[O-].[Na+]"	"MOFVSTNWEDAEEK-UHFFFAOYSA-M"	"InChI=1S/C43H48N2O6S2.Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);/q;+1/p-1"	""	""	""
"10047"	"indole-3-carbinol"	""	"Synthetic organic"	""	""	""	""	"375973235"	"3712"	""	""	"CHEMBL155625"	""	""	""	""	"1H-indol-3-ylmethanol"	""	"3-hydroxymethylindole|3-indolemethanol|3-indolylcarbinol|I3C"	"OCc1c[nH]c2c1cccc2"	"IVYPNXXAYMYVSP-UHFFFAOYSA-N"	"InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2"	"yes"	""	""
"4709"	"indole-3-propionic acid"	""	"Metabolite"	""	""	""	""	"178101420"	"3744"	""	""	"CHEMBL207225"	""	""	""	""	"3-(1H-indol-3-yl)propanoic acid"	""	"3-indolepropionicacid|IPA|oxigon"	"OC(=O)CCc1c[nH]c2c1cccc2"	"GOLXRNDWAUTYKT-UHFFFAOYSA-N"	"InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)"	""	""	""
"11021"	"indolmycin"	""	"Synthetic organic"	""	""	""	""	"405560462"	"135417159"	""	""	"CHEMBL417852"	""	""	""	""	"(5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-methylimino-1,3-oxazolidin-4-one"	""	"PA 155 A|PA-155-A|PA-155A|TAK-083"	"CN=C1NC(=O)[C@@H](O1)[C@@H](c1c[nH]c2c1cccc2)C"	"GNTVWGDQPXCYBV-PELKAZGASA-N"	"InChI=1S/C14H15N3O2/c1-8(12-13(18)17-14(15-2)19-12)10-7-16-11-6-4-3-5-9(10)11/h3-8,12,16H,1-2H3,(H,15,17,18)/t8-,12+/m1/s1"	""	"yes"	"yes"
"10046"	"indolo[3,2-b]carbazole"	""	"Synthetic organic"	""	""	""	""	"375973234"	"114764"	""	""	""	""	""	""	""	"indolo[3,2-b]carbazole"	""	"ICZ|ICZ-carbazole"	"c1ccc2c(c1)c1cc3=Nc4c(c3cc1=N2)cccc4"	"HLVSZSQYBQCBQG-UHFFFAOYSA-N"	"InChI=1S/C18H10N2/c1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18/h1-10H"	""	""	""
"1909"	"indomethacin"	""	"Synthetic organic"	"yes"	""	""	""	"135650390"	"3715"	""	""	"CHEMBL6"	""	""	""	""	"2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid"	"indometacin"	"Indocid&reg;|Indocin&reg;"	"COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C"	"CGIGDMFJXJATDK-UHFFFAOYSA-N"	"InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)"	"yes"	""	""
"501"	"indoramin"	""	"Synthetic organic"	"yes"	""	""	""	"135650391"	"33625"	""	""	"CHEMBL279516"	""	""	""	""	"N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide"	"indoramin"	"Baratol&reg;|Doralese&reg;|indoramine|WY-21901"	"O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2"	"JXZZEXZZKAWDSP-UHFFFAOYSA-N"	"InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)"	""	""	""
"8226"	"indoximod"	""	"Synthetic organic"	""	""	""	""	"249565906"	"405012"	""	""	"CHEMBL571209"	""	""	""	""	"(2R)-2-amino-3-(1-methylindol-3-yl)propanoic acid"	"indoximod"	"1-methyl-D-tryptophan|1MT|D-1MT"	"OC(=O)[C@@H](Cc1cn(c2c1cccc2)C)N"	"ZADWXFSZEAPBJS-SNVBAGLBSA-N"	"InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m1/s1"	""	""	""
"8718"	"indusatumab vedotin"	""	"Antibody"	""	""	""	""	"252827376"	"0"	""	""	""	""	""	""	""	""	"indusatumab vedotin"	"5F9vcMMAE|MLN-0264|MLN0264|TAK-264|TAK264"	""	""	""	""	""	""
"11929"	"INE963"	""	"Synthetic organic"	""	""	""	""	"461663484"	"156274257"	""	""	""	""	""	""	""	"4-(aminomethyl)-1-{5-[2-methoxy-6-(propan-2-yl)pyridin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl}piperidin-4-ol"	""	"MMV1582617|NVP-INE963"	"COc1nc(ccc1c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(C)C"	"JYHSRMKXBAPFST-UHFFFAOYSA-N"	"InChI=1S/C19H26N6O2S/c1-12(2)14-5-4-13(16(22-14)27-3)15-10-21-17-25(15)23-18(28-17)24-8-6-19(26,11-20)7-9-24/h4-5,10,12,26H,6-9,11,20H2,1-3H3"	""	"yes"	""
"7992"	"inebilizumab"	""	"Antibody"	"yes"	""	""	""	"249565673"	"0"	""	""	""	""	""	""	""	""	"inebilizumab"	"HB12|inebilizumab-cdon|MEDI 551|MEDI-551|MEDI551|Uplizna&reg;"	""	""	""	""	""	""
"7747"	"inecalcitol"	""	"Synthetic organic"	""	""	""	""	"223366080"	"6915835"	""	""	"CHEMBL2105107"	""	""	""	""	"(1R,3R)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol"	"inecalcitol"	"TX522"	"O[C@H]1C[C@H](O)CC(=C/C=C/2\CCC[C@]3([C@@H]2CC[C@@H]3[C@@H](CC#CC(O)(C)C)C)C)C1"	"HHGRMHMXKPQNGF-WNSNRMDMSA-N"	"InChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24-,26-/m1/s1"	""	""	""
"7877"	"infigratinib"	""	"Synthetic organic"	"yes"	"yes"	""	""	"223366206"	"53235510"	""	""	"CHEMBL1852688"	""	""	""	""	"3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea"	"infigratinib"	"BGJ 398|BGJ-398|BGJ398|NVP-BGJ398|Truseltiq&reg;"	"CCN1CCN(CC1)c1ccc(cc1)Nc1ncnc(c1)N(C(=O)Nc1c(Cl)c(OC)cc(c1Cl)OC)C"	"QADPYRIHXKWUSV-UHFFFAOYSA-N"	"InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)"	""	""	""
"5004"	"infliximab"	""	"Antibody"	"yes"	""	""	""	"178101701"	"0"	""	""	""	""	""	""	""	""	"infliximab"	"cA2|Inflectra&reg;|Remicade&reg;|Remsima&reg;|SB2|TA-650|Zymfentra&reg; (subcutaneous formulation)"	""	""	""	"yes"	""	""
"13864"	"infractopicrin"	""	"Natural product"	""	""	""	""	"513757549"	"46228996"	""	""	"CHEMBL1197817"	""	""	""	""	""	""	"compound 1 [PMID: 20176490]"	"C1CC2=CC(=O)N3C4=CC=CC=C4C5=C3C2=[N+](C1)C=C5"	"VRDYBHWUDGWCFW-UHFFFAOYSA-N"	"InChI=1S/C17H13N2O/c20-15-10-11-4-3-8-18-9-7-13-12-5-1-2-6-14(12)19(15)17(13)16(11)18/h1-2,5-7,9-10H,3-4,8H2/q+1"	""	""	""
"7443"	"ingenol mebutate"	""	"Natural product"	"yes"	""	""	""	"178104015"	"6918670"	""	""	"CHEMBL1863513"	""	""	""	""	""	"ingenol mebutate"	"PEP-005|Picato&reg;"	"C/C=C(\C(=O)O[C@H]1C(=C[C@]23[C@]1(O)[C@H](O)C(=C[C@H](C3=O)[C@H]1[C@@H](C[C@H]2C)C1(C)C)CO)C)/C"	"VDJHFHXMUKFKET-WDUFCVPESA-N"	"InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1"	""	""	""
"5010"	"inhibin A"	"Human"	"Peptide"	""	""	""	""	"178101707"	"0"	"P05111|P08476"	"ENSG00000123999|ENSG00000122641"	""	"5005|5006"	"inhibin &alpha;|inhibin &beta;A"	"P05111|P08476"	"ENSG00000123999|ENSG00000122641"	""	""	""	""	""	""	""	""	""
"5005"	"inhibin &alpha;"	"Human"	"Peptide"	""	""	""	""	"178101702"	"0"	"P05111"	"ENSG00000123999"	""	""	""	""	""	""	""	"inhibin alpha chain"	""	""	""	""	""	""
"5011"	"inhibin B"	"Human"	"Peptide"	""	""	""	""	"178101708"	"0"	"P05111|P09529"	"ENSG00000123999|ENSG00000163083"	""	"5005|5007"	"inhibin &alpha;|inhibin &beta;B"	"P05111|P09529"	"ENSG00000123999|ENSG00000163083"	""	""	""	""	""	""	""	""	""
"5006"	"inhibin &beta;A"	"Human"	"Peptide"	""	""	""	""	"178101703"	"0"	"P08476"	"ENSG00000122641"	""	""	""	""	""	""	""	"activin &beta;A|activin beta-A chain|erythroid differentiation factor (EDF)|follicle-stimulating hormone-releasing protein"	""	""	""	""	""	""
"5007"	"inhibin &beta;B"	"Human"	"Peptide"	""	""	""	""	"178101704"	"0"	"P09529"	"ENSG00000163083"	""	""	""	""	""	""	""	"activin beta-B chain|inhibin beta B chain"	""	""	""	""	""	""
"5008"	"inhibin &beta;C"	"Human"	"Peptide"	""	""	""	""	"178101705"	"0"	"P55103"	"ENSG00000175189"	""	""	""	""	""	""	""	"activin beta-C chain|inhibin beta C chain"	""	""	""	""	""	""
"5009"	"inhibin &beta;E"	"Human"	"Peptide"	""	""	""	""	"178101706"	"0"	"P58166"	"ENSG00000139269"	""	""	""	""	""	""	""	"activin beta-E chain|inhibin beta E chain"	""	""	""	""	""	""
"8621"	"inhibitor 19 [PMID: 21476495]"	""	"Synthetic organic"	""	""	""	""	"252166822"	"53259050"	""	""	"CHEMBL1782887"	""	""	""	""	"2-[2-[[[(2S,6S,9E,13S)-13-amino-2-[(4-hydroxyphenyl)methyl]-4,14-dioxo-1,5-diazacyclotetradec-9-ene-6-carbonyl]amino]methyl]phenyl]acetic acid"	""	""	"O=C1C[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](N)CC/C=C/CC[C@H](N1)C(=O)NCc1ccccc1CC(=O)O"	"QUJXIMWUJGTUEG-CLKUPZDLSA-N"	"InChI=1S/C29H36N4O6/c30-24-9-3-1-2-4-10-25(29(39)31-18-21-8-6-5-7-20(21)16-27(36)37)33-26(35)17-22(32-28(24)38)15-19-11-13-23(34)14-12-19/h1-2,5-8,11-14,22,24-25,34H,3-4,9-10,15-18,30H2,(H,31,39)(H,32,38)(H,33,35)(H,36,37)/b2-1+/t22-,24-,25-/m0/s1"	""	""	""
"8624"	"inhibitor 1 [Colombo <i>et al.</i>, 2012]"	""	"Synthetic organic"	""	""	""	""	"252166825"	"70689167"	""	""	"CHEMBL2086421"	""	""	""	""	"(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide"	""	""	"NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nc2c(s1)cccc2)CCCN=C(N)N)C)NC(=O)[C@H](CCCN=C(N)N)N"	"JRNGHBUUFQDBPT-LAQRGFTBSA-N"	"InChI=1S/C27H42N12O5S/c1-14(36-24(44)18(10-11-20(29)40)38-23(43)15(28)6-4-12-34-26(30)31)22(42)37-17(8-5-13-35-27(32)33)21(41)25-39-16-7-2-3-9-19(16)45-25/h2-3,7,9,14-15,17-18H,4-6,8,10-13,28H2,1H3,(H2,29,40)(H,36,44)(H,37,42)(H,38,43)(H4,30,31,34)(H4,32,33,35)/t14-,15-,17-,18-/m0/s1"	""	""	""
"9898"	"inhibitor 32 [PMID: 29620892]"	""	"Synthetic organic"	""	""	""	""	"363894192"	"133081969"	""	""	""	""	""	""	""	""	""	""	"CCCC[C@H](NC(=O)CCCCC(=O)Nc1ccccc1)CCCC(=O)NO"	"ZYFVLHYHXNFROE-KRWDZBQOSA-N"	"InChI=1S/C21H33N3O4/c1-2-3-10-17(13-9-16-21(27)24-28)22-19(25)14-7-8-15-20(26)23-18-11-5-4-6-12-18/h4-6,11-12,17,28H,2-3,7-10,13-16H2,1H3,(H,22,25)(H,23,26)(H,24,27)/t17-/m0/s1"	"yes"	""	""
"8847"	"inhibitor A [PMID: 12482429]"	""	"Synthetic organic"	""	""	""	""	"252827504"	"44315263"	""	""	"CHEMBL310981"	""	""	""	""	"[(3S,4R)-1,1-difluoro-3-(hexadecanoylamino)-4-hydroxy-4-phenylbutyl]phosphonic acid"	""	""	"CCCCCCCCCCCCCCCC(=O)N[C@H]([C@@H](c1ccccc1)O)CC(P(=O)(O)O)(F)F"	"KQPGDBVGEXAZAW-UKILVPOCSA-N"	"InChI=1S/C26H44F2NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(30)29-23(21-26(27,28)35(32,33)34)25(31)22-18-15-14-16-19-22/h14-16,18-19,23,25,31H,2-13,17,20-21H2,1H3,(H,29,30)(H2,32,33,34)/t23-,25+/m0/s1"	""	""	""
"11229"	"inhibitor CB3"	""	"Synthetic organic"	""	""	""	""	"434122289"	"110693840"	""	""	""	""	""	""	""	"N-[4-chloro-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide"	""	""	"Clc1ccc(c(c1)C(F)(F)F)NC(=O)c1nocc1"	"COZVUVXNGYGPKO-UHFFFAOYSA-N"	"InChI=1S/C11H6ClF3N2O2/c12-6-1-2-8(7(5-6)11(13,14)15)16-10(18)9-3-4-19-17-9/h1-5H,(H,16,18)"	""	""	""
"11228"	"inhibitor E18"	""	"Synthetic organic"	""	""	""	""	"434122288"	"234669"	""	""	""	""	""	""	""	"N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine"	""	""	"COc1ccccc1Nc1nc2c(s1)cccc2"	"OAXDBPDAUUFQFJ-UHFFFAOYSA-N"	"InChI=1S/C14H12N2OS/c1-17-12-8-4-2-6-10(12)15-14-16-11-7-3-5-9-13(11)18-14/h2-9H,1H3,(H,15,16)"	""	""	""
"11227"	"inhibitor E4"	""	"Synthetic organic"	""	""	""	""	"434122287"	"2466241"	""	""	""	""	""	""	""	"2-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylacetamide"	""	""	"CC(NC(=O)COc1c(C)cc(cc1C)Cl)C"	"GMPVHSCTBWUYRE-UHFFFAOYSA-N"	"InChI=1S/C13H18ClNO2/c1-8(2)15-12(16)7-17-13-9(3)5-11(14)6-10(13)4/h5-6,8H,7H2,1-4H3,(H,15,16)"	""	""	""
"13113"	"inhibitor M9 [PMID: 38236416]"	""	"Synthetic organic"	""	""	""	""	"491299895"	"171037437"	""	""	""	""	""	""	""	"4-(3-((1R,3R,5S,7R)-3,5-Dimethyladamantan-1-yl)ureido)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide"	""	""	"O=C(NC1=CC=C(C(NCCCCCCC(NO)=O)=O)C=C1)N[C@]23C[C@H]4C[C@@](C[C@](C2)(C)C4)(C)C3"	"LICDGBVIDDVNJZ-IIEILYMYSA-N"	"InChI=1S/C27H40N4O4/c1-25-13-19-14-26(2,16-25)18-27(15-19,17-25)30-24(34)29-21-10-8-20(9-11-21)23(33)28-12-6-4-3-5-7-22(32)31-35/h8-11,19,35H,3-7,12-18H2,1-2H3,(H,28,33)(H,31,32)(H2,29,30,34)/t19-,25+,26-,27-"	"yes"	""	""
"158"	"<i>N</i>-1-isopropyl-5-MeOT"	""	"Synthetic organic"	""	""	""	""	"135650392"	"24820144"	""	""	""	""	""	""	""	"2-[5-methoxy-1-(propan-2-yl)-1H-indol-3-yl]ethan-1-amine"	""	"<i>N</i>-1-isopropyl-5-methoxytryptamine"	"NCCc1cn(c2c1cc(OC)cc2)C(C)C"	"WFNIDMQOBQYSBC-UHFFFAOYSA-N"	"InChI=1S/C14H20N2O/c1-10(2)16-9-11(6-7-15)13-8-12(17-3)4-5-14(13)16/h4-5,8-10H,6-7,15H2,1-3H3"	""	""	""
"159"	"<i>N</i>-1-isopropyltryptamine"	""	"Synthetic organic"	""	""	""	""	"135650393"	"5115445"	""	""	""	""	""	""	""	"2-(1-propan-2-ylindol-3-yl)ethanamine"	""	""	"NCCc1cn(c2c1cccc2)C(C)C"	"ARHHZLRATAUACE-UHFFFAOYSA-N"	"InChI=1S/C13H18N2/c1-10(2)15-9-11(7-8-14)12-5-3-4-6-13(12)15/h3-6,9-10H,7-8,14H2,1-2H3"	""	""	""
"1532"	"<i>N</i>-&alpha;-Ac-PYY-(22-36) (rat)"	""	"Peptide"	""	""	""	""	"135652211"	"0"	""	""	""	""	""	""	""	""	""	"<i>N</i>-&alpha;-Ac-PYY<sub>22-36</sub> (rat)"	""	""	""	""	""	""
"1533"	"<i>N</i>-&alpha;-Ac-PYY-(25-36) (rat)"	""	"Peptide"	""	""	""	""	"135652212"	"0"	""	""	""	""	""	""	""	""	""	"<i>N</i>-&alpha;-Ac-PYY<sub>25-36</sub> (rat)"	""	""	""	""	""	""
"1239"	"<i>N</i>-&alpha;-methylhistamine"	""	"Synthetic organic"	""	""	""	""	"135650394"	"912"	""	""	"CHEMBL268490"	""	""	""	""	"2-(3H-imidazol-4-yl)-N-methylethanamine"	""	"<i>N</i>-&alpha;-MeHA|NAMH"	"CNCCc1cnc[nH]1"	"PHSPJQZRQAJPPF-UHFFFAOYSA-N"	"InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)"	""	""	""
"332"	"<i>N</i>-benzyl brucine"	""	"Synthetic organic"	""	""	""	""	"135652694"	"44358893"	""	""	"CHEMBL343796"	""	""	""	""	"(1S,11S,18S,20R,21R,22S)-17-benzyl-4,5-dimethoxy-9-oxo-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2(7),3,5,14-tetraen-17-ium"	""	"BNO"	"COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)Cc1ccccc1"	"XFMQETLKDRNYRE-QIBSSCBHSA-N"	"InChI=1S/C30H33N2O4/c1-34-23-13-21-22(14-24(23)35-2)31-27(33)15-25-28-20-12-26-30(21,29(28)31)9-10-32(26,17-19(20)8-11-36-25)16-18-6-4-3-5-7-18/h3-8,13-14,20,25-26,28-29H,9-12,15-17H2,1-2H3/q+1/t20-,25-,26-,28-,29-,30+,32?/m0/s1"	""	""	""
"7545"	"<i>N</i>-desalkylquetiapine"	""	"Synthetic organic"	""	""	""	""	"187051846"	"11369918"	""	""	""	""	""	""	""	"6-piperazin-1-ylbenzo[b][1,5]benzothiazepine"	""	"norquetiapine"	"N1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2"	"JLOAJISUHPIQOX-UHFFFAOYSA-N"	"InChI=1S/C17H17N3S/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,18H,9-12H2"	""	""	""
"333"	"<i>N</i>-desmethylclozapine"	""	"Synthetic organic"	""	""	""	""	"135650395"	"135409468"	""	""	""	""	""	""	""	"3-chloro-6-piperazin-1-yl-5H-benzo[c][1,5]benzodiazepine"	""	"desmethylclozapine|N-desmethyl-clozapine|norclozapine"	"Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1"	"HESZUPIXRNZIOI-UHFFFAOYSA-N"	"InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19,21H,7-10H2"	""	""	""
"1271"	"<i>N</i>-ethylhistamine"	""	"Synthetic organic"	""	""	""	""	"135650396"	"44292270"	""	""	"CHEMBL46296"	""	""	""	""	"2-(1-ethylimidazol-4-yl)ethanamine"	""	""	"NCCc1ncn(c1)CC"	"LIXGKSRWGHVUHT-UHFFFAOYSA-N"	"InChI=1S/C7H13N3/c1-2-10-5-7(3-4-8)9-6-10/h5-6H,2-4,8H2,1H3"	""	""	""
"1242"	"<i>N</i>-methylhistamine"	""	"Synthetic organic"	""	""	""	""	"135650397"	"3614"	""	""	"CHEMBL507"	""	""	""	""	"2-(1-methylimidazol-4-yl)ethanamine"	""	"1-methylhistamine|tele-methylhistamine"	"Cn1cc(nc1)CCN"	"FHQDWPCFSJMNCT-UHFFFAOYSA-N"	"InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3"	""	""	""
"572"	"<i>N</i>-methyl-Phe-Lys-Pro-<small>D</small>-Cha-Cha-<small>D</small>-Arg-CO<sub>2</sub>H"	""	"Peptide"	""	""	""	""	"178100214"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"576"	"<i>N</i>-methyl-Phe-Lys-Pro-<small>D</small>-Cha-Trp-<small>D</small>-Arg-CO<sub>2</sub>H"	""	"Peptide"	""	""	""	""	"178100216"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8360"	"iniparib"	""	"Synthetic organic"	""	""	""	""	"252166572"	"9796068"	""	""	""	""	""	""	""	"4-iodo-3-nitrobenzamide"	"iniparib"	"BSI-201|SAR240550"	"[O-][N+](=O)c1cc(ccc1I)C(=O)N"	"MDOJTZQKHMAPBK-UHFFFAOYSA-N"	"InChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)"	""	""	""
"1240"	"<i>N</i>-[<sup>3</sup>H]&alpha;-methylhistamine"	""	"Synthetic organic"	""	""	"yes"	"yes"	"135650398"	"912"	""	""	"CHEMBL268490"	""	""	""	""	"2-(3H-imidazol-4-yl)-N-methylethanamine"	""	"[<sup>3</sup>H]<em>-N<sup>a</sup></em>-methylhistamine|[<sup>3</sup>H]NAMH"	"CNCCc1cnc[nH]1"	"PHSPJQZRQAJPPF-UHFFFAOYSA-N"	"InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)"	""	""	""
"1241"	"<i>N</i>-[<sup>3</sup>H]methylhistamine"	""	"Synthetic organic"	""	""	"yes"	"yes"	"135650399"	"3614"	""	""	"CHEMBL507"	""	""	""	""	"2-(1-methylimidazol-4-yl)ethanamine"	""	""	"Cn1cc(nc1)CCN"	"FHQDWPCFSJMNCT-UHFFFAOYSA-N"	"InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3"	""	""	""
"12078"	"inixaciclib"	""	"Synthetic organic"	""	""	""	""	"472319200"	"139390026"	""	""	""	""	""	""	""	"5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[5-(1-methylpiperidin-4-yl)pyridin-2-yl]pyrimidin-2-amine"	"inixaciclib"	"compound 442 [WO2019161224A1]|example 50 [WO2019161224A1]"	"Fc1c(nc(nc1)Nc1ncc(cc1)C1CCN(CC1)C)c1cc(c2c(N(CCO2)C(C)C)c1)F"	"YZSCPLGKKMSBMV-UHFFFAOYSA-N"	"InChI=1S/C26H30F2N6O/c1-16(2)34-10-11-35-25-20(27)12-19(13-22(25)34)24-21(28)15-30-26(32-24)31-23-5-4-18(14-29-23)17-6-8-33(3)9-7-17/h4-5,12-17H,6-11H2,1-3H3,(H,29,30,31,32)"	""	""	""
"13209"	"inlexisertib"	""	"Synthetic organic"	""	""	""	""	"491299991"	"155269708"	""	""	""	""	""	""	""	"4-[3-[[2-[2-ethyl-4-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,4-oxazepan-5-one"	"inlexisertib"	"example 53 [US11530206]"	"CCC1=CC(=CC=C1NC2=NC=C(C(NCCCN3CCOCCC3=O)=N2)C(F)(F)F)N4CCN(C)CC4"	"CNBTYICEJGEABG-UHFFFAOYSA-N"	"InChI=1S/C26H36F3N7O2/c1-3-19-17-20(35-12-10-34(2)11-13-35)5-6-22(19)32-25-31-18-21(26(27,28)29)24(33-25)30-8-4-9-36-14-16-38-15-7-23(36)37/h5-6,17-18H,3-4,7-16H2,1-2H3,(H2,30,31,32,33)"	""	""	""
"1270"	"<i>N,N</i>-dimethylhistamine"	""	"Synthetic organic"	""	""	""	""	"135650400"	"12656"	""	""	"CHEMBL12704"	""	""	""	""	"2-(3H-imidazol-4-yl)-N,N-dimethylethanamine"	""	""	"CN(CCc1[nH]cnc1)C"	"ZJDIMSMQXMWMCF-UHFFFAOYSA-N"	"InChI=1S/C7H13N3/c1-10(2)4-3-7-5-8-6-9-7/h5-6H,3-4H2,1-2H3,(H,8,9)"	""	""	""
"5642"	"In-NODAGATOC"	""	"Peptide"	""	""	""	""	"178102270"	"0"	""	""	""	""	""	""	""	""	""	"In-NODAGA-Tyr3-octreotide"	""	""	""	""	""	""
"13063"	"inobrodib"	""	"Synthetic organic"	""	""	""	""	"491299845"	"134457551"	""	""	"CHEMBL4785363"	""	""	""	""	"(6S)-1-(3,4-difluorophenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one"	"inobrodib"	"CCS-1477|CCS1477"	"O=C1N(C2=CC=C(F)C(F)=C2)[C@H](C3=NC4=CC(C5=C(C)ON=C5C)=CC=C4N3[C@H]6CC[C@H](OC)CC6)CCC1"	"SKDNDJWEBPQKCS-CLHVYKLBSA-N"	"InChI=1S/C30H32F2N4O3/c1-17-29(18(2)39-34-17)19-7-14-26-25(15-19)33-30(36(26)20-8-11-22(38-3)12-9-20)27-5-4-6-28(37)35(27)21-10-13-23(31)24(32)16-21/h7,10,13-16,20,22,27H,4-6,8-9,11-12H2,1-3H3/t20-,22-,27-/m0/s1"	""	""	""
"4554"	"inosine"	""	"Metabolite"	""	""	""	""	"178101275"	"135398641"	""	""	"CHEMBL1556"	""	""	""	""	"9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-3H-purin-6-one"	""	""	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]cnc2=O"	"UGQMRVRMYYASKQ-KQYNXXCUSA-N"	"InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1"	""	""	""
"5203"	"inositol 1-phosphate"	""	"Metabolite"	""	""	""	""	"178101889"	"107737"	""	""	""	""	""	""	""	""	""	"1D-myo-inositol 1-phosphate"	"O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O"	"INAPMGSXUVUWAF-UOTPTPDRSA-N"	"InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m1/s1"	""	""	""
"4223"	"inositol 2,4,5-trisphosphate"	""	"Metabolite"	""	""	""	""	"178101040"	"73755087"	""	""	""	""	""	""	""	"(1S,2R,3R,4R,5R,6S)-2,3,5-trihydroxy-4,6-bis(phosphonatooxy)cyclohexyl phosphate"	""	"Ins(2,4,5)P<sub>3</sub>"	"O[C@H]1[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@@H]([C@@H]([C@@H]1O)OP(=O)([O-])[O-])O"	"MMWCIQZXVOZEGG-SHFUYGGZSA-H"	"InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6/t1-,2-,3-,4-,5+,6+/m1/s1"	""	""	""
"5204"	"inositol 3-phosphate"	""	"Metabolite"	""	""	""	""	"178101890"	"440194"	""	""	""	""	""	""	""	""	""	"1D-myo-inositol 3-phosphate"	"O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)O"	"INAPMGSXUVUWAF-PTQMNWPWSA-N"	"InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m0/s1"	""	""	""
"5205"	"inositol 4-phosphate"	""	"Metabolite"	""	""	""	""	"178101891"	"440043"	""	""	""	""	""	""	""	"{[(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid"	""	"1D-myo-inositol 4-phosphate"	"O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@H]([C@@H]([C@@H]1O)O)O"	"INAPMGSXUVUWAF-CNWJWELYSA-N"	"InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3-,4+,5-,6-/m0/s1"	""	""	""
"13543"	"inotersen"	""	"Nucleic acid"	"yes"	"yes"	""	""	"500839953"	"121493437"	""	""	"CHEMBL4297770"	""	""	""	""	"Thy-MeOEt(-2)Ribf-sP-m5Cyt-MeOEt(-2)Ribf-sP-Thy-MeOEt(-2)Ribf-sP-Thy-MeOEt(-2)Ribf-sP-Gua-MeOEt(-2)Ribf-sP-dGuo-sP-dThd-sP-dThd-sP-dAdo-sP-m5Cyt-dRibf-sP-dAdo-sP-dThd-sP-dGuo-sP-dAdo-sP-dAdo-sP-Ade-MeOEt(-2)Ribf-sP-Thy-MeOEt(-2)Ribf-sP-m5Cyt-MeOEt(-2)Ribf-sP-m5Cyt-MeOEt(-2)Ribf-sP-m5Cyt-MeOEt(-2)Ribf"	"inotersen"	"GSK-2998728|GSK2998728|ISIS-420915|ISIS420915|Tegsedi&reg;"	"CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=S)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=S)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5OCCOC)N6C=NC7=C6N=C(NC7=O)N)COP(=S)(O)O[C@@H]8[C@H](O[C@H]([C@@H]8OCCOC)N9C=C(C(=O)NC9=O)C)COP(=S)(O)O[C@@H]%10[C@H](O[C@H]([C@@H]%10OCCOC)N%11C=C(C(=O)NC%11=O)C)COP(=S)(O)O[C@@H]%12[C@H](O[C@H]([C@@H]%12OCCOC)N%13C=C(C(=NC%13=O)N)C)COP(=S)(O)O[C@@H]%14[C@H](O[C@H]([C@@H]%14OCCOC)N%15C=C(C(=O)NC%15=O)C)CO)N%16C=NC%17=C%16N=C(NC%17=O)N)N%18C=C(C(=O)NC%18=O)C)OP(=S)(O)OC[C@@H]%19[C@H](C[C@@H](O%19)N%20C=NC%21=C(N=CN=C%21%20)N)OP(=S)(O)OC[C@@H]%22[C@H](C[C@@H](O%22)N%23C=C(C(=NC%23=O)N)C)OP(=S)(O)OC[C@@H]%24[C@H](C[C@@H](O%24)N%25C=NC%26=C(N=CN=C%26%25)N)OP(=S)(O)OC[C@@H]%27[C@H](C[C@@H](O%27)N%28C=C(C(=O)NC%28=O)C)OP(=S)(O)OC[C@@H]%29[C@H](C[C@@H](O%29)N%30C=NC%31=C%30N=C(NC%31=O)N)OP(=S)(O)OC[C@@H]%32[C@H](C[C@@H](O%32)N%33C=NC%34=C(N=CN=C%34%33)N)OP(=S)(O)OC[C@@H]%35[C@H](C[C@@H](O%35)N%36C=NC%37=C(N=CN=C%37%36)N)OP(=S)(O)OC[C@@H]%38[C@H]([C@H]([C@@H](O%38)N%39C=NC%40=C(N=CN=C%40%39)N)OCCOC)OP(=S)(O)OC[C@@H]%41[C@H]([C@H]([C@@H](O%41)N%42C=C(C(=O)NC%42=O)C)OCCOC)OP(=S)(O)OC[C@@H]%43[C@H]([C@H]([C@@H](O%43)N%44C=C(C(=NC%44=O)N)C)OCCOC)OP(=S)(O)OC[C@@H]%45[C@H]([C@H]([C@@H](O%45)N%46C=C(C(=NC%46=O)N)C)OCCOC)OP(=S)(O)OC[C@@H]%47[C@H]([C@H]([C@@H](O%47)N%48C=C(C(=NC%48=O)N)C)OCCOC)O"	"KLEGMTRDCCDFJK-XDQSQZFTSA-N"	"InChI=1S/C230H318N69O121P19S19/c1-98-53-280(219(312)262-178(98)231)140-43-110(121(382-140)66-364-425(328,444)406-114-47-144(292-90-254-150-183(236)244-85-249-188(150)292)387-126(114)71-368-423(326,442)404-112-45-142(282-59-104(7)197(303)274-225(282)318)383-122(112)67-363-421(324,440)403-111-44-141(281-58-103(6)196(302)273-224(281)317)385-124(111)69-366-427(330,446)410-119-52-149(297-95-260-156-194(297)268-217(242)271-204(156)310)391-130(119)75-372-431(334,450)419-167-139(401-215(177(167)362-42-32-352-22)299-97-261-157-195(299)269-218(243)272-205(157)311)84-381-438(341,457)418-165-136(398-213(175(165)360-40-30-350-20)291-64-109(12)202(308)279-230(291)323)82-379-437(340,456)417-163-135(397-211(173(163)358-38-28-348-18)289-62-107(10)200(306)277-228(289)321)81-378-435(338,454)414-161-132(394-209(171(161)356-36-26-346-16)286-56-101(4)181(234)265-222(286)315)78-375-433(336,452)412-159-120(65-300)392-207(169(159)354-34-24-344-14)288-61-106(9)199(305)276-227(288)320)402-422(325,441)367-70-125-115(48-145(386-125)293-91-255-151-184(237)245-86-250-189(151)293)407-426(329,445)365-68-123-113(46-143(384-123)283-60-105(8)198(304)275-226(283)319)405-424(327,443)371-74-129-118(51-148(390-129)296-94-259-155-193(296)267-216(241)270-203(155)309)409-429(332,448)370-72-127-116(49-146(388-127)294-92-256-152-185(238)246-87-251-190(152)294)408-428(331,447)369-73-128-117(50-147(389-128)295-93-257-153-186(239)247-88-252-191(153)295)411-430(333,449)374-77-138-166(176(361-41-31-351-21)214(400-138)298-96-258-154-187(240)248-89-253-192(154)298)420-439(342,458)380-83-137-164(174(359-39-29-349-19)212(399-137)290-63-108(11)201(307)278-229(290)322)416-436(339,455)377-80-134-162(172(357-37-27-347-17)210(396-134)287-57-102(5)182(235)266-223(287)316)415-434(337,453)376-79-133-160(170(355-35-25-345-15)208(395-133)285-55-100(3)180(233)264-221(285)314)413-432(335,451)373-76-131-158(301)168(353-33-23-343-13)206(393-131)284-54-99(2)179(232)263-220(284)313/h53-64,85-97,110-149,158-177,206-215,300-301H,23-52,65-84H2,1-22H3,(H,324,440)(H,325,441)(H,326,442)(H,327,443)(H,328,444)(H,329,445)(H,330,446)(H,331,447)(H,332,448)(H,333,449)(H,334,450)(H,335,451)(H,336,452)(H,337,453)(H,338,454)(H,339,455)(H,340,456)(H,341,457)(H,342,458)(H2,231,262,312)(H2,232,263,313)(H2,233,264,314)(H2,234,265,315)(H2,235,266,316)(H2,236,244,249)(H2,237,245,250)(H2,238,246,251)(H2,239,247,252)(H2,240,248,253)(H,273,302,317)(H,274,303,318)(H,275,304,319)(H,276,305,320)(H,277,306,321)(H,278,307,322)(H,279,308,323)(H3,241,267,270,309)(H3,242,268,271,310)(H3,243,269,272,311)/t110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,206+,207+,208+,209+,210+,211+,212+,213+,214+,215+,421?,422?,423?,424?,425?,426?,427?,428?,429?,430?,431?,432?,433?,434?,435?,436?,437?,438?,439?/m0/s1"	""	""	""
"8266"	"inotuzumab ozogamicin"	""	"Antibody"	"yes"	""	""	""	"252166478"	"0"	""	""	""	""	""	""	""	""	"inotuzumab ozogamicin"	"Besponsa&reg;|CMC-544"	""	""	""	"yes"	""	""
"4224"	"Ins(3,4,5,6)P<sub>4</sub>"	""	"Metabolite"	""	""	""	""	"178101041"	"121920"	""	""	"CHEMBL23050"	""	""	""	""	"[(1R,2S,3S,4R,5S,6R)-3,4-dihydroxy-2,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate"	""	"1D-myo-inositol 3,4,5,6-tetrakisphosphate"	"O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]([C@H]([C@@H]1O)OP(=O)(O)O)OP(=O)(O)O"	"MRVYFOANPDTYBY-UZAAGFTCSA-N"	"InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m0/s1"	""	""	""
"1746"	"INS48823"	""	"Synthetic organic"	""	""	""	""	"135650401"	"44457307"	""	""	"CHEMBL1162174"	""	""	""	""	"{[(3aR,4R,6R,6aR)-2-benzyl-6-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methoxy}({[({[(2S,3R,4S,5S)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid"	""	"INS 48823|INS-48823"	"O=c1ccn(c(=O)[nH]1)[C@@H]1O[C@@H]([C@@H]2[C@H]1OC(O2)Cc1ccccc1)COP(=O)(OP(=O)(OP(=O)(OC[C@@H]1O[C@@H]([C@H]([C@H]1O)O)n1ccc(=O)[nH]c1=O)O)O)O"	"FIZCPSOYGRAJHH-LAJHJGSGSA-N"	"InChI=1S/C26H31N4O20P3/c31-16-6-8-29(25(35)27-16)23-20(34)19(33)14(45-23)11-43-51(37,38)49-53(41,42)50-52(39,40)44-12-15-21-22(24(46-15)30-9-7-17(32)28-26(30)36)48-18(47-21)10-13-4-2-1-3-5-13/h1-9,14-15,18-24,33-34H,10-12H2,(H,37,38)(H,39,40)(H,41,42)(H,27,31,35)(H,28,32,36)/t14-,15+,18?,19-,20-,21+,22+,23-,24+/m0/s1"	""	""	""
"1769"	"INS49266"	""	"Synthetic organic"	""	""	""	""	"135650402"	"91827342"	""	""	""	""	""	""	""	""	""	""	"O=C(c1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@@H](O2)Cc1ccccc1)COP(=O)(OP(=O)(O)O)O"	"VXEHVAOFCPIBTQ-XXXKQHFZSA-N"	"InChI=1S/C25H25N5O11P2/c31-24(16-9-5-2-6-10-16)29-22-19-23(27-13-26-22)30(14-28-19)25-21-20(39-18(40-21)11-15-7-3-1-4-8-15)17(38-25)12-37-43(35,36)41-42(32,33)34/h1-10,13-14,17-18,20-21,25H,11-12H2,(H,35,36)(H2,32,33,34)(H,26,27,29,31)/t17-,18-,20-,21-,25-/m1/s1"	""	""	""
"12415"	"INSCoV-614 (1B)"	""	"Synthetic organic"	""	""	""	""	"479821206"	"162533734"	""	""	""	""	""	""	""	"(2S)-2-[N-[(2S)-2-chloro-2-fluoroacetyl]-4-(1,3-thiazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyrimidin-5-ylacetamide"	""	"INSCoV-614 (1B) [WO2021219089]"	"C1CC(CCC1NC(=O)[C@H](C2=CN=CN=C2)N(C3=CC=C(C=C3)C4=CN=CS4)C(=O)[C@@H](F)Cl)(F)F"	"YLWLWAOTMHHXDQ-VQTJNVASSA-N"	"InChI=1S/C23H21ClF3N5O2S/c24-20(25)22(34)32(17-3-1-14(2-4-17)18-11-30-13-35-18)19(15-9-28-12-29-10-15)21(33)31-16-5-7-23(26,27)8-6-16/h1-4,9-13,16,19-20H,5-8H2,(H,31,33)/t19-,20+/m0/s1"	""	""	""
"1995"	"INSL3"	"Human"	"Peptide"	""	""	""	""	"135651792"	"0"	"P51460"	"ENSG00000248099"	""	"3749|3750"	"INSL3 (B chain)|INSL3 (A chain)"	"P51460|P51460"	"ENSG00000248099|ENSG00000248099"	""	""	"insulin-like peptide 3"	""	""	""	""	""	""
"11914"	"INSL3 [A(5-26):B(7-27)]"	""	"Peptide"	""	""	""	""	"461663469"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3750"	"INSL3 (A chain)"	"Human"	"Peptide"	""	""	""	""	"135651937"	"0"	"P51460"	"ENSG00000248099"	""	""	""	""	""	""	""	"insulin-like peptide 3 (A chain)"	""	""	""	""	""	""
"3749"	"INSL3 (B chain)"	"Human"	"Peptide"	""	""	""	""	"135651936"	"0"	"P51460"	"ENSG00000248099"	""	""	""	""	""	""	""	"insulin-like peptide 3 B chain"	""	""	""	""	""	""
"3885"	"INSL3 B-chain analogue"	""	"Peptide"	""	""	""	""	"178100721"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4372"	"INSL3 B chain dimer analogue 8"	""	"Peptide"	""	""	""	""	"178101186"	"155817469"	""	""	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)C(C)C)C(C)C"	"RSEFVJQOZGIWEG-VBMLHUJMSA-N"	"InChI=1S/C65H105N23O14S2/c1-32(2)21-43(58(96)87-49(33(3)4)61(99)81-42(18-14-20-74-65(69)70)55(93)86-51(35(7)8)62(100)85-47(29-104)63(101)102)82-52(90)36(9)78-54(92)41(17-13-19-73-64(67)68)80-60(98)50(34(5)6)88-59(97)44(22-37-15-11-10-12-16-37)83-57(95)46(24-39-26-72-31-77-39)84-56(94)45(23-38-25-71-30-76-38)79-48(89)27-75-53(91)40(66)28-103/h10-12,15-16,25-26,30-36,40-47,49-51,103-104H,13-14,17-24,27-29,66H2,1-9H3,(H,71,76)(H,72,77)(H,75,91)(H,78,92)(H,79,89)(H,80,98)(H,81,99)(H,82,90)(H,83,95)(H,84,94)(H,85,100)(H,86,93)(H,87,96)(H,88,97)(H,101,102)(H4,67,68,73)(H4,69,70,74)/t36-,40-,41-,42-,43-,44-,45-,46-,47-,49-,50-,51-/m0/s1"	""	""	""
"2000"	"INSL5"	"Human"	"Peptide"	""	""	""	""	"135651793"	"0"	"Q9Y5Q6"	"ENSG00000172410"	""	"3752|3751"	"INSL5 (A chain)|INSL5 (B chain)"	"Q9Y5Q6|Q9Y5Q6"	"ENSG00000172410|ENSG00000172410"	""	""	"insulin-like peptide 5"	""	""	""	""	""	""
"6519"	"INSL5"	"Mouse"	"Peptide"	""	""	""	""	"178103133"	"0"	"Q9WUG6"	"ENSMUSG00000066090"	""	"6520|6521"	"INSL5 (A chain)|INSL5 (B chain)"	"Q9WUG6|Q9WUG6"	"ENSMUSG00000066090|ENSMUSG00000066090"	""	""	""	""	""	""	""	""	""
"11919"	"INSL5-A13NR"	""	"Peptide"	""	""	""	""	"461663474"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14154"	"INSL5-A13nRbW"	""	"Peptide"	""	""	""	""	"518520781"	"0"	""	""	""	""	""	""	""	""	""	"A13-nRbW"	""	""	""	""	""	""
"6520"	"INSL5 (A chain)"	"Mouse"	"Peptide"	""	""	""	""	"178103134"	"0"	"Q9WUG6"	"ENSMUSG00000066090"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3752"	"INSL5 (A chain)"	"Human"	"Peptide"	""	""	""	""	"135651938"	"0"	"Q9Y5Q6"	"ENSG00000172410"	""	""	""	""	""	""	""	"insulin-like peptide 5 (A chain)"	""	""	""	""	""	""
"8350"	"INSL5 amide (human)"	""	"Peptide"	""	""	""	""	"252166562"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8351"	"INSL5 amide (mouse)"	""	"Peptide"	""	""	""	""	"252166563"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11915"	"INSL5 analogue 13"	""	"Peptide"	""	""	""	""	"461663470"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6521"	"INSL5 (B chain)"	"Mouse"	"Peptide"	""	""	""	""	"178103135"	"0"	"Q9WUG6"	"ENSMUSG00000066090"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3751"	"INSL5 (B chain)"	"Human"	"Peptide"	""	""	""	""	"135651939"	"0"	"Q9Y5Q6"	"ENSG00000172410"	""	""	""	""	""	""	""	"insulin-like peptide 5 (B chain)"	""	""	""	""	""	""
"5012"	"insulin"	"Human"	"Peptide"	"yes"	""	""	""	"178101709"	"0"	"P01308"	"ENSG00000254647"	""	"5013|5014"	"insulin A chain|insulin B chain"	"P01308|P01308"	"ENSG00000254647|ENSG00000254647"	""	"insulin human"	""	""	""	""	""	""	""
"5013"	"insulin A chain"	"Human"	"Peptide"	""	""	""	""	"178101710"	"0"	"P01308"	"ENSG00000254647"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5014"	"insulin B chain"	"Human"	"Peptide"	""	""	""	""	"178101711"	"0"	"P01308"	"ENSG00000254647"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7572"	"insulin glargine"	""	"Peptide"	"yes"	""	""	""	"223365908"	"44146714"	""	""	"CHEMBL1201497"	""	""	""	""	""	"insulin glargine"	"HOE-901|HOE901|Lantus&reg;"	"CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CC(C)C)Cc2ccc(cc2)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)Cc2ccc(cc2)O)C(=O)NCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)CC(C)C)Cc2ccc(cc2)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)Cc2cnc[nH]2)CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)[C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN"	"COCFEDIXXNGUNL-RFKWWTKHSA-N"	""	""	""	""
"2495"	"insulin-like growth factor 1"	"Mouse"	"Peptide"	""	""	""	""	"53801082"	"0"	"P05017"	"ENSMUSG00000020053"	""	""	""	""	""	""	""	"IGF1|somatomedin"	""	""	""	""	""	""
"4971"	"insulin-like growth factor 1"	"Human"	"Peptide"	"yes"	""	""	""	"178101669"	"0"	"P05019"	"ENSG00000017427"	"CHEMBL1201716"	""	""	""	""	""	"mecasermin"	"CEP-151|IGF-1|mechano growth factor (MGF)|myotrophin"	""	""	""	""	""	""
"4972"	"insulin-like growth factor 2"	"Human"	"Peptide"	""	""	""	""	"178101670"	"0"	"P01344"	"ENSG00000167244"	""	""	""	""	""	""	""	"IGF2|insulin-like growth factor II|somatomedin-A"	""	""	""	""	""	""
"10198"	"INT-767"	""	"Synthetic organic"	""	""	""	""	"381118908"	"23642339"	""	""	"CHEMBL3306873"	""	""	""	""	""	""	"6&alpha;-ethyl-3&alpha;,7&alpha;,23-trihydroxy-24-nor-5&beta;-cholan-23-sulfate|INT767"	"CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCOS(=O)(=O)[O-])C"	"XGIYOABXZNJOHV-APIYUPOTSA-M"	"InChI=1S/C25H44O6S/c1-5-17-21-14-16(26)8-11-25(21,4)20-9-12-24(3)18(6-7-19(24)22(20)23(17)27)15(2)10-13-31-32(28,29)30/h15-23,26-27H,5-14H2,1-4H3,(H,28,29,30)/p-1/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-/m1/s1"	""	""	""
"9444"	"intepirdine"	""	"Synthetic organic"	""	""	""	""	"329968384"	"11256720"	""	""	"CHEMBL1083390"	""	""	""	""	"3-(benzenesulfonyl)-8-piperazin-1-ylquinoline"	"intepirdine"	"RVT-101|SB-742457"	"O=S(=O)(c1cnc2c(c1)cccc2N1CCNCC1)c1ccccc1"	"JJZFWROHYSMCMU-UHFFFAOYSA-N"	"InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2"	""	""	""
"14474"	"interleukin-17D"	"Human"	"Peptide"	""	""	""	""	"528429795"	"0"	"Q8TAD2"	"ENSG00000172458"	""	""	""	""	""	""	""	"IL-17D"	""	""	""	"yes"	""	""
"13868"	"interleukin 18 binding protein"	"Human"	"Peptide"	""	""	""	""	"513757553"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"7400"	"iodipamide"	""	"Synthetic organic"	"yes"	""	"yes"	""	"178103972"	"3739"	""	""	"CHEMBL1165268"	""	""	""	""	"3-[[6-[(3-carboxy-2,4,6-triiodophenyl)amino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid"	"adipiodone"	"adipiodone meglumine|iodipamic acid|radio-cholografin"	"O=C(Nc1c(I)cc(c(c1I)C(=O)O)I)CCCCC(=O)Nc1c(I)cc(c(c1I)C(=O)O)I"	"FFINMCNLQNTKLU-UHFFFAOYSA-N"	"InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)"	""	""	""
"1232"	"iodoaminopotentidine"	""	"Synthetic organic"	""	""	""	""	"135650404"	"181461"	""	""	"CHEMBL72193"	""	""	""	""	"4-amino-N-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]-3-iodobenzamide"	""	"I-APT"	"N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N"	"VJTYCMQYDRXNNY-UHFFFAOYSA-N"	"InChI=1S/C26H34IN7O2/c27-23-17-21(8-9-24(23)29)25(35)30-11-12-32-26(33-19-28)31-10-5-15-36-22-7-4-6-20(16-22)18-34-13-2-1-3-14-34/h4,6-9,16-17H,1-3,5,10-15,18,29H2,(H,30,35)(H2,31,32,33)"	""	""	""
"7583"	"iodocyanopindolol"	""	"Synthetic organic"	""	""	""	""	"223365918"	"68618"	""	""	""	""	""	""	""	"4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-iodo-1H-indole-2-carbonitrile"	""	""	"OC(COc1cccc2c1c(I)c([nH]2)C#N)CNC(C)C"	"WGSPBWSPJOBKNT-UHFFFAOYSA-N"	"InChI=1S/C15H18IN3O2/c1-9(2)18-7-10(20)8-21-13-5-3-4-11-14(13)15(16)12(6-17)19-11/h3-5,9-10,18-20H,7-8H2,1-2H3"	""	""	""
"1266"	"iodophenpropit"	""	"Synthetic organic"	""	""	""	""	"135650405"	"5311186"	""	""	""	""	""	""	""	"(1S)-1-[3-(3H-imidazol-4-yl)propylsulfanyl]-N-[2-(4-iodophenyl)ethyl]methanediamine"	""	""	"N[C@H](SCCCc1cnc[nH]1)NCCc1ccc(cc1)I"	"UWFACTDPNOOPFV-HNNXBMFYSA-N"	"InChI=1S/C15H21IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11,15,19H,1-2,7-9,17H2,(H,18,20)/t15-/m0/s1"	""	""	""
"1253"	"iodoproxyfan"	""	"Synthetic organic"	""	""	""	""	"135650406"	"132937"	""	""	"CHEMBL19010"	""	""	""	""	"4-[3-[(4-iodophenyl)methoxy]propyl]-3H-imidazole"	""	""	"Ic1ccc(cc1)COCCCc1cnc[nH]1"	"DCQNAFOCXVCDLB-UHFFFAOYSA-N"	"InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)"	""	""	""
"7653"	"ioflupane"	""	"Synthetic organic"	"yes"	""	""	""	"223365988"	"3086674"	""	""	""	""	""	""	""	"methyl (1S,3S,4S,5R)-8-(3-fluoropropyl)-3-(4-iodanylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate"	"ioflupane (123I)"	"<sup>123</sup>I-FP-CIT|<sup>123</sup>I-ioflupane|DaTSCAN&reg;"	"FCCCN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(cc1)[123I])C(=O)OC"	"HXWLAJVUJSVENX-HFIFKADTSA-N"	"InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/t14-,15+,16+,17-/m0/s1/i20-4"	""	""	""
"8625"	"<i>o</i>-F-amidine"	""	"Synthetic organic"	""	""	""	""	"315661097"	"53393804"	""	""	""	""	""	""	""	""	""	"compound 17 [PMID: 21882827]"	"FCC(=N)NCCCC(C(=O)N)NC(=O)c1ccccc1C(=O)O"	"HBEIARVCIYYMOR-UHFFFAOYSA-N"	"InChI=1S/C15H19FN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)"	""	""	""
"13591"	"ionomycin"	""	"Natural product"	""	""	""	""	"504705410"	"6912226"	""	""	"CHEMBL501617"	""	""	""	""	"(4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-trihydroxy-22-[(2S,5S)-5-[(2R,5S)-5-(1-hydroxyethyl)-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid"	""	"SQ-23377"	"C[C@H](CCC(=O)O)C[C@H](C)C[C@H](C)C(=O)/C=C(/[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@H]([C@@H](C)[C@H](C[C@@H]1CC[C@@](O1)(C)[C@H]2CC[C@@](O2)(C)[C@@H](C)O)O)O)\O"	"PGHMRUGBZOYCAA-ADZNBVRBSA-N"	"InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42/h11,13,24-33,36-37,39,42-43,45,48H,12,14-23H2,1-10H3,(H,46,47)/b13-11+,34-24-/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+/m1/s1"	""	""	"yes"
"8230"	"IOX1"	""	"Synthetic organic"	""	""	""	""	"249565910"	"459617"	""	""	"CHEMBL1230640"	""	""	""	""	"8-hydroxyquinoline-5-carboxylic acid"	""	""	"OC(=O)c1ccc(c2c1cccn2)O"	"JGRPKOGHYBAVMW-UHFFFAOYSA-N"	"InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)"	""	""	""
"8229"	"IOX2"	""	"Synthetic organic"	""	""	""	""	"249565909"	"54685215"	""	""	"CHEMBL3186774"	""	""	""	""	"2-[(1-benzyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid"	""	"compound 6"	"OC(=O)CNC(=O)c1c(O)c2ccccc2n(c1=O)Cc1ccccc1"	"CAOSCCRYLYQBES-UHFFFAOYSA-N"	"InChI=1S/C19H16N2O5/c22-15(23)10-20-18(25)16-17(24)13-8-4-5-9-14(13)21(19(16)26)11-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)"	""	""	""
"8940"	"IPA-3"	""	"Synthetic organic"	""	""	""	""	"310264721"	"521106"	""	""	"CHEMBL472940"	""	""	""	""	"1-(2-hydroxynaphthalen-1-yl)disulfanylnaphthalen-2-ol"	""	"IPA3"	"Oc1ccc2c(c1SSc1c(O)ccc3c1cccc3)cccc2"	"RFAXLXKIAKIUDT-UHFFFAOYSA-N"	"InChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H"	""	""	""
"10325"	"ipafricept"	""	"Peptide"	""	""	""	""	"381745006"	"0"	""	""	""	""	""	""	""	""	"ipafricept"	"FZD8-Fc|OMP-54F28|OMP54F28"	""	""	""	""	""	""
"13792"	"iparomlimab"	""	"Antibody"	"yes"	""	""	""	"507750425"	"0"	""	""	""	""	""	""	""	""	"iparomlimab"	"QL-1604|QL1604"	""	""	""	""	""	""
"7887"	"ipatasertib"	""	"Synthetic organic"	""	""	""	""	"249565578"	"24788740"	""	""	"CHEMBL2177390"	""	""	""	""	"(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one"	"ipatasertib"	"GDC-0068"	"CC(NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2c1[C@H](C)C[C@H]2O)c1ccc(cc1)Cl)C"	"GRZXWCHAXNAUHY-NSISKUIASA-N"	"InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1"	""	""	""
"13253"	"iPep-SARS2-E"	""	"Peptide"	""	""	""	""	"491300035"	"0"	""	""	""	""	""	""	""	""	""	"TAT-MY18-2ED"	""	""	""	""	""	""
"6937"	"iperoxo"	""	"Synthetic organic"	""	""	""	""	"178103519"	"10104167"	""	""	"CHEMBL3121473"	""	""	""	""	"4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl-trimethylazanium"	""	""	"C[N+](CC#CCOC1=NOCC1)(C)C"	"WXXOCGISBCTWPW-UHFFFAOYSA-N"	"InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1"	""	""	""
"308"	"<i>p</i>-F-HHSiD"	""	"Synthetic organic"	""	""	""	""	"135650408"	"3603"	""	""	"CHEMBL1256682"	""	""	""	""	"cyclohexyl-(4-fluorophenyl)-hydroxy-(3-piperidin-1-ylpropyl)silane"	""	"p-pluorohexahydrosiladyphenidol|pFHHSiD"	"Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O"	"ZNSZQJHTFRQUPD-UHFFFAOYSA-N"	"InChI=1S/C20H32FNOSi/c21-18-10-12-20(13-11-18)24(23,19-8-3-1-4-9-19)17-7-16-22-14-5-2-6-15-22/h10-13,19,23H,1-9,14-17H2"	""	""	""
"6888"	"ipilimumab"	""	"Antibody"	"yes"	""	""	""	"178103470"	"0"	""	""	""	""	""	""	""	""	"ipilimumab"	"MDX-010|MDX-101|MDX-CTLA-4|Yervoy&reg;"	""	""	""	"yes"	""	""
"68"	"<i>p</i>-MPPI"	""	"Synthetic organic"	""	""	""	""	"135650409"	"4658"	""	""	"CHEMBL29027"	""	""	""	""	"4-iodo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide"	""	""	"COc1ccccc1N1CCN(CC1)CCN(C(=O)c1ccc(cc1)I)c1ccccn1"	"DHMLNZRDVQLQBB-UHFFFAOYSA-N"	"InChI=1S/C25H27IN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-13H,14-19H2,1H3"	""	""	""
"11187"	"ipivivint"	""	"Synthetic organic"	""	""	""	""	"434122247"	"136213660"	""	""	""	""	""	""	""	""	"ipivivint"	"example 18 [WO2013166396A2]"	"CN(Cc1cncc(c1)c1cnc2c(c1)c(n[nH]2)c1nc2c([nH]1)c(cnc2)c1cccc(c1)F)C"	"YBBUGSYNPXTSGW-UHFFFAOYSA-N"	"InChI=1S/C26H21FN8/c1-35(2)14-15-6-17(10-28-9-15)18-8-20-24(33-34-25(20)30-11-18)26-31-22-13-29-12-21(23(22)32-26)16-4-3-5-19(27)7-16/h3-13H,14H2,1-2H3,(H,31,32)(H,30,33,34)"	""	""	""
"13268"	"IPL344"	""	"Peptide"	""	""	""	""	"491300050"	"11650748"	""	""	""	""	""	""	""	"(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid"	""	"IPL-344"	"CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N5CCC[C@H]5C(=O)O)N"	"AGUSSGJBWOOHRG-NXBWRCJVSA-N"	"InChI=1S/C41H61N7O9/c1-24(2)21-28(42)37(52)47-19-7-11-33(47)40(55)46-18-6-10-32(46)36(51)43-29(22-25(3)4)38(53)45-17-5-9-31(45)35(50)44-30(23-26-13-15-27(49)16-14-26)39(54)48-20-8-12-34(48)41(56)57/h13-16,24-25,28-34,49H,5-12,17-23,42H2,1-4H3,(H,43,51)(H,44,50)(H,56,57)/t28-,29-,30-,31-,32-,33-,34-/m0/s1"	""	""	""
"12712"	"IPN60090"	""	"Synthetic organic"	""	""	""	""	"483123260"	"118627280"	""	""	"CHEMBL4741924"	""	""	""	""	"1-[(2R)-4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methylpyridin-2-yl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide"	""	"Compound 27 [PMID: 33118821]|IACS-6274|IACS6274|IPN-60090"	"O=C(CC1=CC(OC2CC(F)(F)C2)=CC(C)=N1)NC3=NN=C(CC[C@@H](F)CN4C=C(C(NC)=O)N=N4)C=C3"	"GEHZIZWHNLQFAS-OAHLLOKOSA-N"	"InChI=1S/C24H27F3N8O3/c1-14-7-18(38-19-10-24(26,27)11-19)8-17(29-14)9-22(36)30-21-6-5-16(31-33-21)4-3-15(25)12-35-13-20(32-34-35)23(37)28-2/h5-8,13,15,19H,3-4,9-12H2,1-2H3,(H,28,37)(H,30,33,36)/t15-/m1/s1"	""	""	""
"9394"	"ipragliflozin"	""	"Synthetic organic"	"yes"	""	""	""	"328083496"	"10453870"	""	""	"CHEMBL2018096"	""	""	""	""	"(2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol"	"ipragliflozin"	"ASP-1941|ASP1941|Suglat&reg;"	"OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2cc3c(s2)cccc3)F)[C@@H]([C@H]([C@@H]1O)O)O"	"AHFWIQIYAXSLBA-RQXATKFSSA-N"	"InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1"	""	""	""
"325"	"ipratropium"	""	"Synthetic organic"	"yes"	""	""	""	"135650410"	"3746"	""	""	"ChEMBL1615433"	""	""	""	""	"(8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate"	"ipratropium bromide"	"Atrovent&reg;|Ipraxa&reg;"	"OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C"	"OEXHQOGQTVQTAT-UHFFFAOYSA-N"	"InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1"	"yes"	""	""
"42"	"ipsapirone"	""	"Synthetic organic"	""	""	""	""	"135650411"	"56971"	""	""	"CHEMBL8412"	""	""	""	""	"1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one"	"ipsapirone"	""	"O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1"	"TZJUVVIWVWFLCD-UHFFFAOYSA-N"	"InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2"	""	""	""
"4222"	"IP<sub>3</sub>"	""	"Metabolite"	""	""	""	""	"178101039"	"439456"	""	""	"CHEMBL279107"	""	""	""	""	"{[(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid"	""	"1,4,5-IP<sub>3</sub>|1D-<i>myo</i>-inositol 1,4,5-trisphosphate|inositol 1,4,5-trisphosphate|Ins(1,4,5)P<sub>3</sub>"	"O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)O"	"MMWCIQZXVOZEGG-XJTPDSDZSA-N"	"InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1"	""	""	""
"5202"	"IP<sub>4</sub>"	""	"Metabolite"	""	""	""	""	"178101888"	"107758"	""	""	""	""	""	""	""	""	""	"1D-<i>myo</i>-inositol 1,3,4,5-tetrakisphosphate|inositol 1,3,4,5-tetrakisphosphate"	"O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O"	"CIPFCGZLFXVXBG-CNWJWELYSA-N"	"InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1"	""	""	""
"4225"	"Ip<sub>5</sub>I"	""	"Synthetic organic"	""	""	""	""	"178101042"	"136203454"	""	""	""	""	""	""	""	"[[[bis[[(2R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryloxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate"	""	"diinosine-5',5""-pentaphosphate"	"OC1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])[O-])[O-])OC[C@H]2O[C@H](C(C2O)O)n2cnc3c2ncnc3O)O[C@H](C1O)n1cnc2c1ncnc2O"	"GFFAYTMBCSSULP-ICIWVTHHSA-I"	"InChI=1S/C20H27N8O24P5/c29-11-7(47-19(13(11)31)27-5-25-9-15(27)21-3-23-17(9)33)1-45-57(44,52-56(42,43)51-55(40,41)50-54(38,39)49-53(35,36)37)46-2-8-12(30)14(32)20(48-8)28-6-26-10-16(28)22-4-24-18(10)34/h3-8,11-14,19-20,29-32H,1-2H2,(H,38,39)(H,40,41)(H,42,43)(H,21,23,33)(H,22,24,34)(H2,35,36,37)/p-5/t7-,8-,11?,12?,13?,14?,19-,20-,57?/m1/s1"	""	""	""
"10710"	"iptacopan"	""	"Synthetic organic"	"yes"	""	""	""	"404859157"	"90467622"	""	""	""	""	""	""	""	"4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid"	"iptacopan"	"compound 41 [PMID: 32073845]|Fabhalta&reg;|LNP-023|LNP023"	"CCO[C@H]1CCN([C@@H](C1)c1ccc(cc1)C(=O)O)Cc1c(OC)cc(c2c1cc[nH]2)C"	"RENRQMCACQEWFC-UGKGYDQZSA-N"	"InChI=1S/C25H30N2O4/c1-4-31-19-10-12-27(22(14-19)17-5-7-18(8-6-17)25(28)29)15-21-20-9-11-26-24(20)16(2)13-23(21)30-3/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,28,29)/t19-,22-/m0/s1"	"yes"	""	""
"14675"	"iptocigistat"	""	"Synthetic organic"	""	""	""	""	"530846923"	"171819037"	""	""	""	""	""	""	""	"4-(1,3-dimethoxypropan-2-ylamino)-5-methoxy-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamide"	"iptocigistat"	"compound 10 [WO2024137607]|VENT-03|VENT03"	"CC1=CC=NN1C2=NN=C(S2)NC(=O)C3=CC(=C(C(=O)O3)OC)NC(COC)COC"	"LQDCALNOGHKFIE-UHFFFAOYSA-N"	"InChI=1S/C18H22N6O6S/c1-10-5-6-19-24(10)18-23-22-17(31-18)21-15(25)13-7-12(14(29-4)16(26)30-13)20-11(8-27-2)9-28-3/h5-7,11,20H,8-9H2,1-4H3,(H,21,22,25)"	"yes"	""	""
"876"	"IQM-97423"	""	"Synthetic organic"	""	""	""	""	"135650413"	"11757476"	""	""	"CHEMBL2112828"	""	""	""	""	"(2S)-N-[(4aS,5R)-1,3-dioxo-2-(phenylmethyl)-4,4a,5,6,7,8-hexahydropyrido[2,1-f]pyrimidin-5-yl]-2-(tert-butylcarbamoylamino)-3-(1H-indol-3-yl)propanamide"	""	"IQM-97,423"	"O=C(NC(C)(C)C)N[C@H](C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)Cc1ccccc1)Cc1c[nH]c2c1cccc2"	"JQMXXJDAKTTXOB-ZNZIZOMTSA-N"	"InChI=1S/C31H38N6O4/c1-31(2,3)35-29(40)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(39)33-24-14-9-15-36-26(24)17-27(38)37(30(36)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,39)(H2,34,35,40)/t24-,25+,26+/m1/s1"	""	""	""
"10267"	"<i>rac</i>-BHFF"	""	"Synthetic organic"	""	""	""	""	"381744948"	"4332683"	""	""	""	""	""	""	""	"5,7-ditert-butyl-3-hydroxy-3-(trifluoromethyl)-1-benzofuran-2-one"	""	"(R,S)-5,7-di-tert-butyl-3-hydroxy-3-trifluoromethyl-3H-benzofuran-2-one|rac-BHFF"	"O=C1Oc2c(C1(O)C(F)(F)F)cc(cc2C(C)(C)C)C(C)(C)C"	"RVNOANDLZIIFHB-UHFFFAOYSA-N"	"InChI=1S/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3"	""	""	""
"14565"	"irafamdastat"	""	"Synthetic organic"	""	""	""	""	"530846813"	"139318505"	""	""	"CHEMBL5917190"	""	""	""	""	"(5-carbamoyl-3-pyridinyl) (2R)-2-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxylate"	"irafamdastat"	"BMS-986368|CC-97489|Example 74 [US11129827]"	"C[C@@H]1CN(CC2=CC(OC(F)(F)F)=CC=C2)CCN1C(OC3=CN=CC(C(N)=O)=C3)=O"	"XXDVCULQMDDOAX-CYBMUJFWSA-N"	"InChI=1S/C20H21F3N4O4/c1-13-11-26(12-14-3-2-4-16(7-14)31-20(21,22)23)5-6-27(13)19(29)30-17-8-15(18(24)28)9-25-10-17/h2-4,7-10,13H,5-6,11-12H2,1H3,(H2,24,28)/t13-/m1/s1"	""	""	""
"5990"	"IRAK-1/4 inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102612"	"11983295"	""	""	"CHEMBL379787"	""	""	""	""	"N-{1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-yl}-3-nitrobenzamide"	""	""	"O=C(c1cccc(c1)[N+](=O)[O-])Nc1nc2c(n1CCN1CCOCC1)cccc2"	"QTCFYQHZJIIHBS-UHFFFAOYSA-N"	"InChI=1S/C20H21N5O4/c26-19(15-4-3-5-16(14-15)25(27)28)22-20-21-17-6-1-2-7-18(17)24(20)9-8-23-10-12-29-13-11-23/h1-7,14H,8-13H2,(H,21,22,26)"	"yes"	""	""
"11785"	"IRAK3 PROTAC 23"	""	"Synthetic organic"	""	""	""	""	"458923820"	"162366970"	""	""	""	""	""	""	""	""	""	"compound 23 [PMID: 32803978]"	"CC(c1c2n(ncnc2N[C@H]2CC[C@H](CC2)N2CCN(CC2)C(=O)CCC(=O)N2CCC(CC2)CCN2CCN(CC2)c2cc3c(cc2)C(=O)N(C3=O)C2C(=O)NC(=O)CC2)cc1)C"	"ZUODKONSNNHSAJ-AMLBMYBGSA-N"	"InChI=1S/C47H63N11O6/c1-31(2)36-16-20-57-43(36)44(48-30-49-57)50-33-3-5-34(6-4-33)53-25-27-56(28-26-53)42(61)12-11-41(60)55-18-14-32(15-19-55)13-17-52-21-23-54(24-22-52)35-7-8-37-38(29-35)47(64)58(46(37)63)39-9-10-40(59)51-45(39)62/h7-8,16,20,29-34,39H,3-6,9-15,17-19,21-28H2,1-2H3,(H,48,49,50)(H,51,59,62)/t33-,34+,39?"	""	""	""
"8080"	"IRAK4 inhibitor 4b [PMID: 18474425]"	""	"Synthetic organic"	""	""	""	""	"249565760"	"44449334"	""	""	"CHEMBL256713"	""	""	""	""	"N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide"	""	""	"COc1cc(ccc1NC(=O)c1cccc(n1)c1ccn[nH]1)N1CCOCC1"	"RAFFLDOJXQAJPF-UHFFFAOYSA-N"	"InChI=1S/C20H21N5O3/c1-27-19-13-14(25-9-11-28-12-10-25)5-6-17(19)23-20(26)18-4-2-3-15(22-18)16-7-8-21-24-16/h2-8,13H,9-12H2,1H3,(H,21,24)(H,23,26)"	"yes"	""	""
"8081"	"IRAK4 inhibitor rac-45 [PMID: 18501603]"	""	"Synthetic organic"	""	""	""	""	"249565761"	"25169383"	""	""	"CHEMBL401633"	""	""	""	""	"6-{6-chloroimidazo[1,2-a]pyridin-3-yl}-N-(pyrrolidin-3-yl)pyridin-2-amine"	""	""	"Clc1ccc2n(c1)c(cn2)c1cccc(n1)NC1CNCC1"	"NAMQQRIYZTTYCJ-UHFFFAOYSA-N"	"InChI=1S/C16H16ClN5/c17-11-4-5-16-19-9-14(22(16)10-11)13-2-1-3-15(21-13)20-12-6-7-18-8-12/h1-5,9-10,12,18H,6-8H2,(H,20,21)"	"yes"	""	""
"5861"	"iralukast"	""	"Synthetic organic"	""	""	""	""	"178102485"	"6913104"	""	""	"CHEMBL1206833"	""	""	""	""	"7-[(1R,2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]sulfanyl-4-oxochromene-2-carboxylic acid"	"iralukast"	""	"CCCc1c(OCCCC/C=C\C=C\[C@@H]([C@@H](c2cccc(c2)C(F)(F)F)O)Sc2ccc3c(c2)oc(cc3=O)C(=O)O)ccc(c1O)C(=O)C"	"IXJCHVMUTFCRBH-SDUHDBOFSA-N"	"InChI=1S/C38H37F3O8S/c1-3-11-29-31(18-17-27(23(2)42)36(29)45)48-19-9-7-5-4-6-8-14-34(35(44)24-12-10-13-25(20-24)38(39,40)41)50-26-15-16-28-30(43)22-33(37(46)47)49-32(28)21-26/h4,6,8,10,12-18,20-22,34-35,44-45H,3,5,7,9,11,19H2,1-2H3,(H,46,47)/b6-4-,14-8+/t34-,35+/m0/s1"	""	""	""
"589"	"irbesartan"	""	"Synthetic organic"	"yes"	""	""	""	"135650414"	"3749"	""	""	"CHEMBL1513"	""	""	""	""	"2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one"	"irbesartan"	"Aprovel&reg;|Avapro&reg;|Karvea&reg;|SR 47436"	"CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2"	"YOSHYTLCDANDAN-UHFFFAOYSA-N"	"InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)"	""	""	""
"1236"	"(<i>R</i>)-&alpha;-methylhistamine"	""	"Synthetic organic"	""	""	""	""	"135650415"	"156615"	""	""	"CHEMBL268229"	""	""	""	""	"(2R)-1-(3H-imidazol-4-yl)propan-2-amine"	""	"(<i>R</i>)-&alpha;-MeHA|alpha-methylhistamine"	"C[C@H](Cc1cnc[nH]1)N"	"XNQIOISZPFVUFG-RXMQYKEDSA-N"	"InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1"	"yes"	""	""
"9000"	"(<i>R</i>)-ARN2508"	""	"Synthetic organic"	""	""	""	""	"310264778"	"117072557"	""	""	""	""	""	""	""	"(2R)-2-(3-fluoro-4-{3-[(hexylcarbamoyl)oxy]phenyl}phenyl)propanoic acid"	""	"compound (-)-10r [PMID: 26774927]|example 19 [WO2014023643]"	"CCCCCCNC(=O)Oc1cccc(c1)c1ccc(cc1F)[C@H](C(=O)O)C"	"USQOVYLRWBOSQC-OAHLLOKOSA-N"	"InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m1/s1"	"yes"	""	""
"1214"	"(<i>R</i>)-cetirizine"	""	"Synthetic organic"	"yes"	""	""	""	"135650416"	"1549000"	""	""	"CHEMBL1201191"	""	""	""	""	"2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid"	"levocetirizine"	"Vozet&reg;|Xyzal&reg;"	"OC(=O)COCCN1CCN(CC1)[C@@H](c1ccc(cc1)Cl)c1ccccc1"	"ZKLPARSLTMPFCP-OAQYLSRUSA-N"	"InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1"	""	""	""
"157"	"(<i>R</i>)-DOI"	""	"Synthetic organic"	""	""	""	""	"135650418"	"9840090"	""	""	"CHEMBL134519"	""	""	""	""	"(2R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine"	""	"(-)-DOI"	"COc1cc(I)c(cc1C[C@H](N)C)OC"	"BGMZUEKZENQUJY-SSDOTTSWSA-N"	"InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1"	""	""	""
"2519"	"(-)-(<i>R</i>)-efonidipine"	""	"Synthetic organic"	""	""	""	""	"135650419"	"9830707"	""	""	""	""	""	""	""	"2-(phenyl-(phenylmethyl)amino)ethyl (4R)-5-(5,5-dimethyl-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate"	"efonidipine"	""	"CC1=C(C(=O)OCCN(c2ccccc2)Cc2ccccc2)[C@H](C(=C(N1)C)P1(=O)OCC(CO1)(C)C)c1cccc(c1)[N+](=O)[O-]"	"NSVFSAJIGAJDMR-WJOKGBTCSA-N"	"InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3/t31-/m1/s1"	""	""	""
"7340"	"(<i>R</i>)-flurbiprofen"	""	"Synthetic organic"	""	""	""	""	"178103912"	"92337"	""	""	"CHEMBL190083"	""	""	""	""	"(2R)-2-(3-fluoro-4-phenylphenyl)propanoic acid"	"flurbiprofen|tarenflurbil"	"MPC-7869"	"OC(=O)[C@@H](c1ccc(c(c1)F)c1ccccc1)C"	"SYTBZMRGLBWNTM-SNVBAGLBSA-N"	"InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1"	""	""	""
"65"	"(<i>R</i>)-flurocarazolol"	""	"Synthetic organic"	""	""	""	""	"135650898"	"9995893"	""	""	"CHEMBL418834"	""	""	""	""	"(2R)-1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol"	""	""	"FCC(NC[C@H](COc1cccc2c1c1ccccc1[nH]2)O)C"	"QHLGXPUIUKSADT-ZGTCLIOFSA-N"	"InChI=1S/C18H21FN2O2/c1-12(9-19)20-10-13(22)11-23-17-8-4-7-16-18(17)14-5-2-3-6-15(14)21-16/h2-8,12-13,20-22H,9-11H2,1H3/t12?,13-/m1/s1"	""	""	""
"11564"	"irigenol"	""	"Natural product"	""	""	""	""	"441604936"	"5781144"	""	""	"CHEMBL1438439"	""	""	""	""	"5,6,7-trihydroxy-3-(3,4,5-trihydroxyphenyl)chromen-4-one"	""	"compound 4 [PMID: 28621943]|UI1956"	"Oc1cc(cc(c1O)O)c1coc2c(c1=O)c(O)c(c(c2)O)O"	"DFURNQJNFBMYHM-UHFFFAOYSA-N"	"InChI=1S/C15H10O8/c16-7-1-5(2-8(17)13(7)20)6-4-23-10-3-9(18)14(21)15(22)11(10)12(6)19/h1-4,16-18,20-22H"	""	""	""
"2506"	"<i>R</i>-(+)-methanandamide"	""	"Synthetic organic"	""	""	""	""	"53801074"	"6321351"	""	""	"CHEMBL120526"	""	""	""	""	"(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide"	""	"(R)-methanandamide|AM-356|methanandamide"	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](CO)C"	"SQKRUBZPTNJQEM-FQPARAGTSA-N"	"InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1"	""	""	""
"6823"	"irinotecan"	""	"Synthetic organic"	"yes"	""	""	""	"178103429"	"60838"	""	""	"CHEMBL481"	""	""	""	""	""	"irinotecan"	"(+)-irinotecan|biotecan|Campto&reg;|Camptosar&reg;|CPT-11|irinotecan hydrochloride|Onivyde&reg;"	"CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)OC(=O)N1CCC(CC1)N1CCCCC1"	"UWKQSNNFCGGAFS-XIFFEERXSA-N"	"InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1"	""	""	""
"8235"	"(<i>R</i>)-PFI-2"	""	"Synthetic organic"	""	""	""	""	"249565915"	"71300326"	""	""	""	""	""	""	""	"8-fluoro-N-[(2R)-1-oxo-1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide"	""	""	"O=C([C@H](NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)Cc1cccc(c1)C(F)(F)F)N1CCCC1"	"JCKGSPAAPQRPBW-OAQYLSRUSA-N"	"InChI=1S/C23H25F4N3O3S/c24-20-13-18(12-16-6-7-28-14-19(16)20)34(32,33)29-21(22(31)30-8-1-2-9-30)11-15-4-3-5-17(10-15)23(25,26)27/h3-5,10,12-13,21,28-29H,1-2,6-9,11,14H2/t21-/m1/s1"	""	""	""
"14202"	"(<i>R</i>)-SCH-23390"	""	"Peptide"	""	""	""	""	"518520829"	"3082393"	""	""	""	""	""	""	""	"(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol"	""	"(R)-SCH23390"	"CN1CCC2=CC(=C(C=C2[C@H](C1)C3=CC=CC=C3)O)Cl"	"GOTMKOSCLKVOGG-OAHLLOKOSA-N"	"InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1"	""	""	""
"12606"	"(<i>R)</i>-YNT-3708"	""	"Synthetic organic"	""	""	""	""	"479821396"	"167993664"	""	""	""	""	""	""	""	"(R,E)-3-(4-Methoxy-3-(N-(8-(2-(3-methoxyphenyl)-N-methylacetamido)-5,6,7,8-tetrahydronaphthalen-2-yl)sulfamoyl)phenyl)-N-(pyridin-4-yl)acrylamide"	""	"(R)-18 [PMID: 37043436]"	"O=C(/C=C/C1=CC=C(OC)C(S(NC2=CC3=C(CCC[C@H]3N(C(CC4=CC(OC)=CC=C4)=O)C)C=C2)(=O)=O)=C1)NC5=CC=NC=C5"	"CUXJBONFEXBSTQ-YTUVCLRASA-N"	"InChI=1S/C35H36N4O6S/c1-39(35(41)22-25-6-4-8-29(20-25)44-2)31-9-5-7-26-12-13-28(23-30(26)31)38-46(42,43)33-21-24(10-14-32(33)45-3)11-15-34(40)37-27-16-18-36-19-17-27/h4,6,8,10-21,23,31,38H,5,7,9,22H2,1-3H3,(H,36,37,40)/b15-11+/t31-/m1/s1"	""	""	""
"2288"	"(<i>R</i>)-zacopride"	""	"Synthetic organic"	""	""	""	""	"135650420"	"9819593"	""	""	"CHEMBL27846"	""	""	""	""	"4-amino-N-[(8R)-1-azabicyclo[2.2.2]octan-8-yl]-5-chloro-2-methoxybenzamide"	"zacopride"	""	"COc1cc(N)c(cc1C(=O)N[C@H]1CN2CCC1CC2)Cl"	"FEROPKNOYKURCJ-ZDUSSCGKSA-N"	"InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m0/s1"	""	""	""
"3887"	"IRL 2500"	""	"Peptide"	""	""	""	""	"178100723"	"5311192"	""	""	"CHEMBL72410"	""	""	""	""	"(2S)-2-[[(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid"	""	"IRL-2500|IRL2500"	"Cc1cc(C)cc(c1)C(=O)N([C@@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)c1ccccc1)C"	"UZDORQWMYRRLQV-JHOUSYSJSA-N"	"InChI=1S/C36H35N3O4/c1-23-17-24(2)19-28(18-23)35(41)39(3)33(20-25-13-15-27(16-14-25)26-9-5-4-6-10-26)34(40)38-32(36(42)43)21-29-22-37-31-12-8-7-11-30(29)31/h4-19,22,32-33,37H,20-21H2,1-3H3,(H,38,40)(H,42,43)/t32-,33+/m0/s1"	""	""	""
"11098"	"IRL752"	""	"Synthetic organic"	""	""	""	""	"434122159"	"135381565"	""	""	""	""	""	""	""	"(3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine"	""	"IRL 752|IRL-752"	"CO[C@]1(CNCC1)c1cccc(c1F)F"	"LJNFYMMXCXGFCP-LLVKDONJSA-N"	"InChI=1S/C11H13F2NO/c1-15-11(5-6-14-7-11)8-3-2-4-9(12)10(8)13/h2-4,14H,5-7H2,1H3/t11-/m1/s1"	""	""	""
"12869"	"irpagratinib"	""	"Synthetic organic"	""	""	""	""	"485205990"	"135181440"	""	""	""	""	""	""	""	"N-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide"	"irpagratinib"	"ABSK-011|ABSK011|example 790 [US10968220]"	"FC1=C(C(=C(C=C1OC)OC)F)C2=CC3=C(N=C(N=C3)N[C@@H]4COCC[C@@H]4NC(C=C)=O)C(=N2)N5CC(C5)(C)OC"	"PGRHEHZIRYNZDV-FUHWJXTLSA-N"	"InChI=1S/C28H32F2N6O5/c1-6-21(37)32-16-7-8-41-12-18(16)34-27-31-11-15-9-17(22-23(29)19(38-3)10-20(39-4)24(22)30)33-26(25(15)35-27)36-13-28(2,14-36)40-5/h6,9-11,16,18H,1,7-8,12-14H2,2-5H3,(H,32,37)(H,31,34,35)/t16-,18+/m0/s1"	""	""	""
"10973"	"Irresistin-16"	""	"Synthetic organic"	""	""	""	""	"405560414"	"44531726"	""	""	"CHEMBL587612"	""	""	""	""	"7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine"	""	"IRS-16|IRS16"	"Nc1nc(N)c2c(n1)ccc1c2ccn1Cc1ccc(cc1)c1ccccc1"	"CKQXMSDRDDHCOR-UHFFFAOYSA-N"	"InChI=1S/C23H19N5/c24-22-21-18-12-13-28(20(18)11-10-19(21)26-23(25)27-22)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13H,14H2,(H4,24,25,26,27)"	""	""	"yes"
"1406"	"(<i>R,S</i>)-4-PPG"	""	"Synthetic organic"	""	""	""	""	"135650421"	"4545574"	""	""	"CHEMBL277475"	""	""	""	""	"2-amino-2-(4-phosphonophenyl)acetic acid"	""	"(R,S)-4-phosphonophenylglycine|(RS)PPG"	"OC(=O)C(c1ccc(cc1)P(=O)(O)O)N"	"JRQRKFDFHAPMGQ-UHFFFAOYSA-N"	"InChI=1S/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)"	""	""	""
"369"	"(<i>R,S</i>)-PHPNECA"	""	"Synthetic organic"	""	""	""	""	"135650422"	"91827339"	""	""	""	""	""	""	""	""	""	"(<i>R,S</i>)-2-phenylhydroxypropynyl-NECA|2-(3-hydroxy-3-phenyl)propyn-1-yladenosine-5'-N-ethyluronamide"	"CCNC(=O)[C@H]1O[C@H]([C@H]([C@H]1O)O)n1cnc2c1nc(C#CC(c1ccccc1)O)nc2N"	"WOAZCBPWCCREDO-CERUIEQFSA-N"	"InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12?,15-,16+,17+,21-/m1/s1"	""	""	""
"4068"	"(<i>RS</i>)-(tetrazol-5-yl)glycine"	""	"Synthetic organic"	""	""	""	""	"178100891"	"126383"	""	""	"CHEMBL140784"	""	""	""	""	"2-amino-2-(1H-1,2,3,4-tetrazol-5-yl)acetic acid"	""	""	"OC(=O)C(c1nnn[nH]1)N"	"UKBRUIZWQZHXFL-UHFFFAOYSA-N"	"InChI=1S/C3H5N5O2/c4-1(3(9)10)2-5-7-8-6-2/h1H,4H2,(H,9,10)(H,5,6,7,8)"	""	""	""
"11877"	"iruplinalkib"	""	"Synthetic organic"	"yes"	""	""	""	"461663433"	"118639856"	""	""	""	""	""	""	""	"5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]pyrimidine-2,4-diamine"	"iruplinalkib"	"example 9 [US10053477B2]|Qixinke&reg;|WX-0593|WX0593"	"Clc1c(nc(nc1)Nc1c(cc(cc1)N1CCC2(CC1)CCN(CC2)C)OC)Nc1c(cccc1)P(=O)(C)C"	"ZPCCNHQDFZCULN-UHFFFAOYSA-N"	"InChI=1S/C29H38ClN6O2P/c1-35-15-11-29(12-16-35)13-17-36(18-14-29)21-9-10-23(25(19-21)38-2)33-28-31-20-22(30)27(34-28)32-24-7-5-6-8-26(24)39(3,4)37/h5-10,19-20H,11-18H2,1-4H3,(H2,31,32,33,34)"	""	""	""
"8517"	"IS1"	""	"Synthetic organic"	""	""	""	""	"252166719"	"2874943"	""	""	"CHEMBL1499206"	""	""	""	""	"N-[(Z)-1-furan-2-yl-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide"	""	""	"O=C(/C(=C/c1ccco1)/NC(=O)c1ccccc1)NCc1cccnc1"	"ANTQNDKESCDJPE-PDGQHHTCSA-N"	"InChI=1S/C20H17N3O3/c24-19(16-7-2-1-3-8-16)23-18(12-17-9-5-11-26-17)20(25)22-14-15-6-4-10-21-13-15/h1-13H,14H2,(H,22,25)(H,23,24)/b18-12-"	""	""	""
"8518"	"IS20"	""	"Synthetic organic"	""	""	""	""	"252166720"	"5442665"	""	""	"CHEMBL1387323"	""	""	""	""	"N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide"	""	""	"COc1ccc(cc1)/C=C(/C(=O)NCc1cccnc1)\NC(=O)c1ccccc1"	"KKDANILRTKQMGA-STZFKDTASA-N"	"InChI=1S/C23H21N3O3/c1-29-20-11-9-17(10-12-20)14-21(26-22(27)19-7-3-2-4-8-19)23(28)25-16-18-6-5-13-24-15-18/h2-15H,16H2,1H3,(H,25,28)(H,26,27)/b21-14-"	""	""	""
"8444"	"ISA-2011B"	""	"Synthetic organic"	""	""	""	""	"252166654"	"49853637"	""	""	""	""	""	""	""	""	""	""	"Clc1ccc2c(c1)c(c[nH]2)[C@H]1N2C(=O)CN(C(=O)[C@@H]2Cc2c1cc1OCOc1c2)C"	"FSEZESVJDPKRDS-UWJYYQICSA-N"	"InChI=1S/C22H18ClN3O4/c1-25-9-20(27)26-17(22(25)28)4-11-5-18-19(30-10-29-18)7-13(11)21(26)15-8-24-16-3-2-12(23)6-14(15)16/h2-3,5-8,17,21,24H,4,9-10H2,1H3/t17-,21-/m0/s1"	""	""	""
"11223"	"ISAM-140"	""	"Synthetic organic"	""	""	""	""	"434122283"	"17198004"	""	""	"CHEMBL3787197"	""	""	""	""	"propan-2-yl 4-(furan-2-yl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate"	""	"compound 22b [PMID: 26824742]|ISAM140"	"CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C"	"NYHLRBMDXQBOIB-UHFFFAOYSA-N"	"InChI=1S/C19H19N3O3/c1-11(2)25-18(23)16-12(3)20-19-21-13-7-4-5-8-14(13)22(19)17(16)15-9-6-10-24-15/h4-11,17H,1-3H3,(H,20,21)"	""	""	""
"3332"	"I-SAP"	""	"Synthetic organic"	""	""	""	""	"178100363"	"22524604"	""	""	""	""	""	""	""	"(Z)-7-[(1R,2S,3S,5S)-3-[(4-iodophenyl)sulfonylamino]-7,7-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid"	""	""	"OC(=O)CCC/C=C\C[C@@H]1[C@H](C[C@@H]2C[C@H]1C2(C)C)NS(=O)(=O)c1ccc(cc1)I"	"SZNMERGTFJHNSM-JSMWPFPQSA-N"	"InChI=1S/C22H30INO4S/c1-22(2)15-13-19(22)18(7-5-3-4-6-8-21(25)26)20(14-15)24-29(27,28)17-11-9-16(23)10-12-17/h3,5,9-12,15,18-20,24H,4,6-8,13-14H2,1-2H3,(H,25,26)/b5-3-/t15-,18-,19+,20-/m0/s1"	""	""	""
"6515"	"isatin sulfonamide 34 [PMID: 11384246]"	""	"Synthetic organic"	""	""	""	""	"178103129"	"9847835"	""	""	"CHEMBL439753"	""	""	""	""	"5-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-1-(phenylmethyl)indole-2,3-dione"	""	""	"O=C1C(=O)N(c2c1cc(cc2)S(=O)(=O)N1CCC[C@H]1COc1ccccc1)Cc1ccccc1"	"PKOUAUWPBMZQCH-FQEVSTJZSA-N"	"InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1"	""	""	""
"13775"	"(-)-isatispironeol A"	""	"Natural product"	""	""	""	""	"507750408"	"172879837"	""	""	""	""	""	""	""	"(1S,3S,4R)-1-[(1S)-2-hydroxy-1-{4-[(1Z)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}ethyl]-3-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-7,9-dimethoxy-2-oxaspiro[4.5]deca-6,9-dien-8-one"	""	"compound 1b [PMID: 36758886]"	"[H][C@@]1(CO)[C@]([H])(O[C@]([H])([C@H](CO)OC2=CC=C(/C=C\CO)C=C2OC)C13C=C(OC)C(=O)C(OC)=C3)C4=CC(OC)=C(O)C=C4"	"UQDKSOUGOFMVTF-GNGDPUPUSA-N"	"InChI=1S/C31H36O11/c1-37-23-13-19(8-9-21(23)35)29-20(16-33)31(14-25(39-3)28(36)26(15-31)40-4)30(42-29)27(17-34)41-22-10-7-18(6-5-11-32)12-24(22)38-2/h5-10,12-15,20,27,29-30,32-35H,11,16-17H2,1-4H3/b6-5-/t20-,27+,29-,30-/m1/s1"	""	""	""
"8719"	"isatuximab"	""	"Antibody"	"yes"	""	""	""	"252827377"	"0"	""	""	""	""	""	""	""	""	"isatuximab"	"ch38SB19|hu38SB19|isatuximab-irfc|SAR-650984|SAR650984|Sarclisa Escena&reg; (subcutaneous isatuximab)|Sarclisa&reg;"	""	""	""	""	""	""
"9802"	"iscalimab"	""	"Antibody"	""	""	""	""	"354702274"	"0"	""	""	""	""	""	""	""	""	"iscalimab"	"CFZ-533|CFZ533|NVP-CFZ533|OM11-62MF"	""	""	""	"yes"	""	""
"7506"	"ischemin"	""	"Synthetic organic"	""	""	""	""	"187051808"	"135566302"	""	""	""	""	""	""	""	"5-[(2E)-2-(2-amino-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2,4-dimethylbenzenesulfonic acid"	""	"MS120"	"NC1=CC(=O)C(=C/C/1=N\Nc1cc(c(cc1C)C)S(=O)(=O)O)C"	"WGEVKJVUKOELFY-QGOAFFKASA-N"	"InChI=1S/C15H17N3O4S/c1-8-4-10(3)15(23(20,21)22)7-12(8)17-18-13-5-9(2)14(19)6-11(13)16/h4-7,17H,16H2,1-3H3,(H,20,21,22)/b18-13+"	""	""	""
"4649"	"<i>scyllo</i>-inositol"	""	"Metabolite"	""	""	""	""	"178101366"	"892"	""	""	"CHEMBL468154"	""	""	""	""	"(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol"	""	"AZD 103|cocositol|quercinitol"	"O[C@@H]1[C@@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O"	"CDAISMWEOUEBRE-CDRYSYESSA-N"	"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-"	""	""	""
"10822"	"iseganan"	""	"Peptide"	""	""	""	""	"405560263"	"16131103"	""	""	"CHEMBL2110753"	""	""	""	""	""	"iseganan"	"IB-367|IB-367-03"	"O=C(CNC(=O)[C@H](CCCNC(=N)N)N)NCC(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2)Cc1ccccc1)CCCNC(=N)N)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N)CCCNC(=N)N)C(C)C)CC(C)C"	"GUCYBPFJNGVFEB-XELKFLSISA-N"	"InChI=1S/C78H126N30O18S4/c1-39(2)28-49(99-57(111)32-93-56(110)31-94-63(115)45(79)16-10-24-89-75(81)82)66(118)103-53-36-128-130-38-55(72(124)107-60(40(3)4)73(125)96-34-58(112)97-46(62(80)114)17-11-25-90-76(83)84)106-74(126)61(41(5)6)108-71(123)54-37-129-127-35-52(104-68(120)51(102-70(53)122)30-43-20-22-44(109)23-21-43)69(121)100-47(18-12-26-91-77(85)86)64(116)95-33-59(113)98-48(19-13-27-92-78(87)88)65(117)101-50(67(119)105-54)29-42-14-8-7-9-15-42/h7-9,14-15,20-23,39-41,45-55,60-61,109H,10-13,16-19,24-38,79H2,1-6H3,(H2,80,114)(H,93,110)(H,94,115)(H,95,116)(H,96,125)(H,97,112)(H,98,113)(H,99,111)(H,100,121)(H,101,117)(H,102,122)(H,103,118)(H,104,120)(H,105,119)(H,106,126)(H,107,124)(H,108,123)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-,61-/m0/s1"	""	""	"yes"
"12136"	"isepamicin"	""	"Synthetic organic"	"yes"	""	""	""	"472319258"	"3037209"	""	""	"CHEMBL272080"	""	""	""	""	"(2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide"	"isepamicin"	"HAPA-B|Sch 21420"	"C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN)O)O)O)N)NC(=O)[C@H](CN)O)O"	"UDIIBEDMEYAVNG-ZKFPOVNWSA-N"	"InChI=1S/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-/m0/s1"	""	""	"yes"
"6551"	"(<i>S</i>)-2,3-epoxysqualene"	""	"Metabolite"	""	""	""	""	"178103165"	"5459811"	""	""	""	""	""	""	""	"(3S)-2,2-dimethyl-3-[(7E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]oxirane"	""	"(S)-2,3-epoxysqualene|squalene 2,3-epoxide"	"C/C(=C\CC/C=C(/CC/C=C(/CC[C@@H]1OC1(C)C)\C)\C)/CC/C=C(/CCC=C(C)C)\C"	"QYIMSPSDBYKPPY-RSKUXYSASA-N"	"InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+/t29-/m0/s1"	""	""	""
"9796"	"(<i>S</i>)-23 [PMID: 27933945]"	""	"Synthetic organic"	""	""	""	""	"354702268"	"122707120"	""	""	""	""	""	""	""	"2-fluoro-5-[2-[(4S)-4-(4-methyl-1,1-dioxothian-4-yl)-2-oxopyrrolidin-1-yl]ethoxy]benzonitrile"	""	""	"N#Cc1cc(OCCN2C[C@@H](CC2=O)C2(C)CCS(=O)(=O)CC2)ccc1F"	"SYEMWCXBADSSGE-OAHLLOKOSA-N"	"InChI=1S/C19H23FN2O4S/c1-19(4-8-27(24,25)9-5-19)15-11-18(23)22(13-15)6-7-26-16-2-3-17(20)14(10-16)12-21/h2-3,10,15H,4-9,11,13H2,1H3/t15-/m1/s1"	"yes"	""	""
"1407"	"(<i>S</i>)-3,4-DCPG"	""	"Synthetic organic"	""	""	""	""	"135650423"	"16062593"	""	""	"CHEMBL143210"	""	""	""	""	"4-[(1S)-1-amino-2-hydroxy-2-oxoethyl]phthalic acid"	""	"(S)-3,4-dicarboxylphenylglycine"	"N[C@@H](c1ccc(c(c1)C(=O)O)C(=O)O)C(=O)O"	"IJVMOGKBEVRBPP-ZETCQYMHSA-N"	"InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1"	""	""	""
"1366"	"(<i>S</i>)-3HPG"	""	"Synthetic organic"	""	""	""	""	"135650424"	"6604712"	""	""	"CHEMBL442347"	""	""	""	""	"(2S)-2-amino-2-(3-hydroxyphenyl)acetic acid"	""	"3-hydroxyphenylglycine"	"OC(=O)[C@H](c1cccc(c1)O)N"	"DQLYTFPAEVJTFM-ZETCQYMHSA-N"	"InChI=1S/C8H9NO3/c9-7(8(11)12)5-2-1-3-6(10)4-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1"	""	""	""
"4069"	"(<i>S</i>)-4-AHCP"	""	"Synthetic organic"	""	""	""	""	"178100892"	"5288598"	""	""	"CHEMBL28472"	""	""	""	""	"(2S)-2-amino-3-(3-oxo-7,8-dihydro-6H-cyclohepta[d][1,2]oxazol-4-yl)propanoic acid"	""	""	"OC(=O)[C@H](CC1=CCCCc2c1c(O)no2)N"	"HJEPOXZLPHUVFE-ZETCQYMHSA-N"	"InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1"	""	""	""
"1374"	"(<i>S</i>)-4C3HPG"	""	"Synthetic organic"	""	""	""	""	"135650425"	"5311455"	""	""	"CHEMBL39372"	""	""	""	""	"4-[(1S)-1-amino-2-hydroxy-2-oxoethyl]-2-hydroxybenzoic acid"	""	""	"N[C@@H](c1ccc(c(c1)O)C(=O)O)C(=O)O"	"GXZSAQLJWLCLOX-ZETCQYMHSA-N"	"InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-5(8(12)13)6(11)3-4/h1-3,7,11H,10H2,(H,12,13)(H,14,15)/t7-/m0/s1"	""	""	""
"4070"	"(<i>S</i>)-5-fluorowillardiine"	""	"Synthetic organic"	""	""	""	""	"178100893"	"126569"	""	""	"CHEMBL123132"	""	""	""	""	"(2S)-2-amino-3-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid"	""	""	"OC(=O)[C@H](Cn1cc(F)c(=O)[nH]c1=O)N"	"DBWPFHJYSTVBCZ-BYPYZUCNSA-N"	"InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1"	""	""	""
"4071"	"(<i>S</i>)-5-iodowillardiine"	""	"Synthetic organic"	""	""	""	""	"178100894"	"447196"	""	""	"CHEMBL121915"	""	""	""	""	"(2S)-2-amino-3-(5-iodo-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid"	""	""	"OC(=O)[C@H](Cn1cc(I)c(=O)[nH]c1=O)N"	"AXXYLTBQIQBTES-BYPYZUCNSA-N"	"InChI=1S/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1"	""	""	""
"1238"	"(<i>S</i>)-&alpha;-methylhistamine"	""	"Synthetic organic"	""	""	""	""	"135650426"	"6603865"	""	""	"CHEMBL11919"	""	""	""	""	"(2S)-1-(3H-imidazol-4-yl)propan-2-amine"	""	"(S)-&#945;-MeHA"	"C[C@@H](Cc1cnc[nH]1)N"	"XNQIOISZPFVUFG-YFKPBYRVSA-N"	"InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m0/s1"	""	""	""
"8999"	"(<i>S</i>)-ARN2508"	""	"Synthetic organic"	""	""	""	""	"310264777"	"117072556"	""	""	""	""	""	""	""	"(2S)-2-(3-fluoro-4-{3-[(hexylcarbamoyl)oxy]phenyl}phenyl)propanoic acid"	""	"compound (+)-10r [PMID: 26774927]|example 20 [WO2014023643]"	"CCCCCCNC(=O)Oc1cccc(c1)c1ccc(cc1F)[C@@H](C(=O)O)C"	"USQOVYLRWBOSQC-HNNXBMFYSA-N"	"InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m0/s1"	"yes"	""	""
"8676"	"<i>S</i>-BMPA"	""	"Synthetic organic"	""	""	""	""	"252166876"	"5287850"	""	""	"CHEMBL90403"	""	""	""	""	"(2S)-2-(phenylmethyl)-3-sulfanylpropanoic acid"	""	""	"SC[C@H](C(=O)O)Cc1ccccc1"	"ZUEBVBPVXLQMQR-SECBINFHSA-N"	"InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)/t9-/m1/s1"	""	""	""
"1215"	"(<i>S</i>)-cetirizine"	""	"Synthetic organic"	""	""	""	""	"135650427"	"150716"	""	""	"CHEMBL1334217"	""	""	""	""	"2-[2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid"	""	""	"OC(=O)COCCN1CCN(CC1)[C@H](c1ccc(cc1)Cl)c1ccccc1"	"ZKLPARSLTMPFCP-NRFANRHFSA-N"	"InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m0/s1"	""	""	""
"4097"	"<i>S</i>-(-)CPB"	""	"Synthetic organic"	""	""	""	""	"178100920"	"151501"	""	""	"CHEMBL23477"	""	""	""	""	"2-(4-chlorophenoxy)butanoic acid"	""	""	"CCC(C(=O)O)Oc1ccc(cc1)Cl"	"CEJKAKCQVUWNNA-UHFFFAOYSA-N"	"InChI=1S/C10H11ClO3/c1-2-9(10(12)13)14-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H,12,13)"	""	""	""
"4098"	"<i>S</i>-(-)CPP"	""	"Synthetic organic"	""	""	""	""	"178100921"	"18703"	""	""	"CHEMBL23629"	""	""	""	""	"2-(4-chlorophenoxy)propanoic acid"	""	""	"CC(C(=O)O)Oc1ccc(cc1)Cl"	"DKHJWWRYTONYHB-UHFFFAOYSA-N"	"InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)"	""	""	""
"7581"	"(<i>S</i>)-crizotinib"	""	"Synthetic organic"	""	""	""	""	"223365916"	"56671814"	""	""	"CHEMBL1825141"	""	""	""	""	"3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine"	""	"<i>ent</i>-crizotinib"	"Nc1ncc(cc1O[C@H](c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CCNCC1"	"KTEIFNKAUNYNJU-LBPRGKRZSA-N"	"InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m0/s1"	""	""	""
"66"	"(<i>S</i>)-flurocarazolol"	""	"Synthetic organic"	""	""	""	""	"135651039"	"10358392"	""	""	"CHEMBL326418"	""	""	""	""	"(2S)-1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol"	""	""	"FCC(NC[C@@H](COc1cccc2c1c1ccccc1[nH]2)O)C"	"QHLGXPUIUKSADT-ABLWVSNPSA-N"	"InChI=1S/C18H21FN2O2/c1-12(9-19)20-10-13(22)11-23-17-8-4-7-16-18(17)14-5-2-3-6-15(14)21-16/h2-8,12-13,20-22H,9-11H2,1H3/t12?,13-/m0/s1"	""	""	""
"8899"	"(<i>S</i>)-liquiritigenin"	""	"Natural product"	""	""	""	""	"310264680"	"114829"	""	""	"CHEMBL252642"	""	""	""	""	"(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one"	""	""	"C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O"	"FURUXTVZLHCCNA-AWEZNQCLSA-N"	"InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1"	"yes"	""	""
"6493"	"<i>S</i>-OOPP"	""	"Synthetic organic"	""	""	""	""	"178103107"	"25227533"	""	""	"CHEMBL1214256"	""	""	""	""	"N-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide"	""	""	"O=C(N[C@H]1COC1=O)CCc1ccccc1"	"UUEMOTWYJKOUPP-JTQLQIEISA-N"	"InChI=1S/C12H13NO3/c14-11(13-10-8-16-12(10)15)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)/t10-/m0/s1"	""	""	""
"11073"	"<i>S</i>‐Y048"	""	"Synthetic organic"	""	""	""	""	"434122134"	"122588231"	""	""	""	""	""	""	""	"(3S)-5-[5-chloro-2-[6-(3-chlorophenyl)hexyl]-1-methylindol-3-yl]-3-methyl-5-oxopentanoic acid"	""	"S-Y048"	"C[C@@H](CC(=O)c1c(CCCCCCc2cccc(c2)Cl)n(c2c1cc(Cl)cc2)C)CC(=O)O"	"XGNFPJZMWOIDAH-SFHVURJKSA-N"	"InChI=1S/C27H31Cl2NO3/c1-18(15-26(32)33)14-25(31)27-22-17-21(29)12-13-23(22)30(2)24(27)11-6-4-3-5-8-19-9-7-10-20(28)16-19/h7,9-10,12-13,16-18H,3-6,8,11,14-15H2,1-2H3,(H,32,33)/t18-/m0/s1"	""	""	""
"2289"	"(<i>S</i>)-zacopride"	""	"Synthetic organic"	""	""	""	""	"135650429"	"6604914"	""	""	"CHEMBL28992"	""	""	""	""	"4-amino-N-[(8S)-1-azabicyclo[2.2.2]octan-8-yl]-5-chloro-2-methoxybenzamide"	"zacopride"	""	"COc1cc(N)c(cc1C(=O)N[C@@H]1CN2CCC1CC2)Cl"	"FEROPKNOYKURCJ-CYBMUJFWSA-N"	"InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1"	""	""	""
"14484"	"islatravir"	""	"Synthetic organic"	"yes"	""	""	""	"528429805"	"6483431"	""	""	"CHEMBL517231"	""	""	""	""	"(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol"	"islatravir"	"4'-Ethynyl-2-fluoro-2'-deoxyadenosine|E2-FdA|Idvynso&reg; (DOR/ISL)|MK-8591|MK8591"	"C#C[C@]1([C@H](C[C@@H](O1)N2C=NC3=C(N=C(N=C32)F)N)O)CO"	"IKKXOSBHLYMWAE-QRPMWFLTSA-N"	"InChI=1S/C12H12FN5O3/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19-20H,3-4H2,(H2,14,16,17)/t6-,7+,12+/m0/s1"	""	""	""
"13936"	"ISM5939"	""	"Synthetic organic"	""	""	""	""	"513757621"	"175670512"	""	""	""	""	""	""	""	""	""	"ISM-5939"	"COC1=C(C2=C(C=N1)N=C(C)N2CC3=C(F)C=C(C=N3)S(N)(=C)=O)C4=CC=CC=C4"	"QTMGHITUORAPCE-UHFFFAOYSA-N"	"InChI=1S/C21H20FN5O2S/c1-13-26-17-11-25-21(29-2)19(14-7-5-4-6-8-14)20(17)27(13)12-18-16(22)9-15(10-24-18)30(3,23)28/h4-11H,3,12H2,1-2H3,(H2,23,28)"	""	""	""
"9984"	"ISO-1"	""	"Synthetic organic"	""	""	""	""	"374883871"	"4633677"	""	""	"CHEMBL210858"	""	""	""	""	"methyl 2-[3-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,2-oxazolidin-5-yl]acetate"	""	"IN1228"	"COC(=O)CC1ONC(=C2C=CC(=O)C=C2)C1"	"CLVQGFPQFNASJH-UHFFFAOYSA-N"	"InChI=1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,13H,6-7H2,1H3"	"yes"	""	""
"7781"	"isoamyl-agomelatine"	""	"Synthetic organic"	""	""	""	""	"223366114"	"57381997"	""	""	"CHEMBL1946226"	""	""	""	""	"N-[2-[7-methoxy-3-(3-methylbutyl)naphthalen-1-yl]ethyl]acetamide"	""	""	"COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)CCC(C)C"	"DGWFQLYAVLGONI-UHFFFAOYSA-N"	"InChI=1S/C20H27NO2/c1-14(2)5-6-16-11-17-7-8-19(23-4)13-20(17)18(12-16)9-10-21-15(3)22/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,21,22)"	""	""	""
"5506"	"isoamylamine"	""	"Metabolite"	""	""	""	""	"178102152"	"7894"	""	""	"CHEMBL42003"	""	""	""	""	"3-METHYLBUTAN-1-AMINE"	""	""	"NCCC(C)C"	"BMFVGAAISNGQNM-UHFFFAOYSA-N"	"InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3"	""	""	""
"388"	"isobutylmethylxanthine"	""	"Synthetic organic"	""	""	""	""	"135650363"	"3758"	""	""	"CHEMBL275084"	""	""	""	""	"1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione"	""	"IBMX|methylisobutylxanthine"	"CC(Cn1c(=O)n(C)c(=O)c2c1nc[nH]2)C"	"APIXJSLKIYYUKG-UHFFFAOYSA-N"	"InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)"	""	""	""
"1060"	"isobutyric acid"	""	"Metabolite"	""	""	""	""	"135651494"	"6590"	""	""	"CHEMBL108778"	""	""	""	""	"2-Methylpropanoic acid"	""	"isobutyrate"	"CC(C(=O)O)C"	"KQNPFQTWMSNSAP-UHFFFAOYSA-N"	"InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)"	""	""	""
"1934"	"isocarbacyclin"	""	"Synthetic organic"	""	""	""	""	"135650430"	"5311244"	""	""	""	""	""	""	""	"5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid"	""	"9-O-methanoprostaglandin I"	"CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1CC(=C2)CCCCC(=O)O)O"	"JANVYOZZTKSZGN-WCAFQOMDSA-N"	"InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h10-12,16-20,22-23H,2-9,13-14H2,1H3,(H,24,25)/b11-10+/t16-,17-,18+,19-,20+/m0/s1"	""	""	""
"7204"	"isocarboxazid"	""	"Synthetic organic"	"yes"	""	""	""	"178103779"	"3759"	""	""	"CHEMBL1201168"	""	""	""	""	"N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide"	"isocarboxazid"	"Marplan&reg;"	"Cc1onc(c1)C(=O)NNCc1ccccc1"	"XKFPYPQQHFEXRZ-UHFFFAOYSA-N"	"InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)"	""	""	""
"12548"	"Isochlorogenic acid A"	""	"Natural product"	""	""	""	""	"479821338"	"6474310"	""	""	"CHEMBL4289566"	""	""	""	""	"(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid"	""	"3,5-DCQA|3,5-Dicaffeoylquinic acid"	"C1C(C[C@H](C([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(O)C(=O)O"	"KRZBCHWVBQOTNZ-RDJMKVHDSA-N"	"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1"	""	""	""
"12549"	"Isochlorogenic acid B"	""	"Natural product"	""	""	""	""	"479821339"	"5281780"	""	""	"CHEMBL249448"	""	""	""	""	"(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid"	""	"3,4-Dicaffeoylquinic acid|3,4-DICQA"	"C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O"	"UFCLZKMFXSILNL-PSEXTPKNSA-N"	"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1"	""	""	""
"13571"	"isocorypalmine"	""	"Natural product"	""	""	""	""	"504705390"	"440229"	""	""	"CHEMBL2334891"	""	""	""	""	"(13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol"	""	"(S)-Isocorypalmine|l-Isocorypalmine|tetrahydrocolumbamine"	"COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC"	"KDFKJOFJHSVROC-INIZCTEOSA-N"	"InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1"	""	""	""
"7205"	"isoetarine"	""	"Synthetic organic"	"yes"	""	""	""	"178103780"	"3762"	""	""	"CHEMBL1201213"	""	""	""	""	"4-{1-hydroxy-2-[(propan-2-yl)amino]butyl}benzene-1,2-diol"	"isoetarine"	"Bronkometer&reg;|Bronkosol&reg;|WIN-3406"	"CCC(C(c1ccc(c(c1)O)O)O)NC(C)C"	"HUYWAWARQUIQLE-UHFFFAOYSA-N"	"InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3"	"yes"	""	""
"7980"	"isoferulic acid"	""	"Synthetic organic"	""	""	""	""	"252166475"	"736186"	""	""	"CHEMBL233295"	""	""	""	""	"3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid"	""	""	"COc1ccc(cc1O)/C=C/C(=O)O"	"QURCVMIEKCOAJU-HWKANZROSA-N"	"InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+"	""	""	""
"2505"	"isoflurane"	""	"Synthetic organic"	"yes"	""	""	""	"53801075"	"3763"	""	""	"CHEMBL1256"	""	""	""	""	"2-Chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane"	"isoflurane"	"Forane&reg;"	"FC(OC(C(F)(F)F)Cl)F"	"PIWKPBJCKXDKJR-UHFFFAOYSA-N"	"InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H"	""	""	""
"5991"	"isogranulatimide"	""	"Synthetic organic"	""	""	""	""	"178102613"	"135418335"	""	""	"CHEMBL413188"	""	""	""	""	"2,4,9,19-tetraazapentacyclo[10.7.0.0^{2,6}.0^{7,11}.0^{13,18}]nonadeca-1(12),3,5,7(11),13,15,17-heptaene-8,10-dione"	""	"IZA|pyridone 6"	"O=c1[nH]c(=O)c2c1c1c3ccccc3[nH]c1n1c2cnc1"	"WXUJAQBSBZLVEV-UHFFFAOYSA-N"	"InChI=1S/C15H8N4O2/c20-14-11-9-5-16-6-19(9)13-10(12(11)15(21)18-14)7-3-1-2-4-8(7)17-13/h1-6,17H,(H,18,20,21)"	""	""	""
"4226"	"isoguvacine"	""	"Synthetic organic"	""	""	""	""	"178101043"	"3765"	""	""	"CHEMBL39071"	""	""	""	""	"1,2,3,6-tetrahydropyridine-4-carboxylic acid"	""	""	"OC(=O)C1=CCNCC1"	"KRVDMABBKYMBHG-UHFFFAOYSA-N"	"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)"	""	""	""
"12761"	"isoniazid"	""	"Synthetic organic"	"yes"	""	""	""	"483123309"	"3767"	""	""	"CHEMBL64"	""	""	""	""	"pyridine-4-carbohydrazide"	"isoniazid"	"isonicotinic acid hydrazide|Nydrazid&reg;|Rimifon&reg;"	"C1=CN=CC=C1C(=O)NN"	"QRXWMOHMRWLFEY-UHFFFAOYSA-N"	"InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)"	""	""	"yes"
"4227"	"isonipecotic acid"	""	"Synthetic organic"	""	""	""	""	"178101044"	"3773"	""	""	"CHEMBL279998"	""	""	""	""	"piperidine-4-carboxylic acid"	""	""	"OC(=O)C1CCNCC1"	"SRJOCJYGOFTFLH-UHFFFAOYSA-N"	"InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)"	""	""	""
"3048"	"isopentenyl diphosphate"	""	"Metabolite"	""	""	""	""	"135651495"	"1195"	""	""	"CHEMBL356362"	""	""	""	""	"3-methylbut-3-enyl phosphono hydrogen phosphate"	""	"IPP|IPPP|isopentenyl pyrophosphate"	"CC(=C)CCOP(=O)(OP(=O)(O)O)O"	"NUHSROFQTUXZQQ-UHFFFAOYSA-N"	"InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)"	""	""	""
"536"	"isoprenaline"	""	"Synthetic organic"	"yes"	""	""	""	"135650431"	"3779"	""	""	"CHEMBL434"	""	""	""	""	"4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol"	"isoprenaline"	"isoproterenol|Isuprel&reg;|Medihaler-Iso&reg;"	"CC(NCC(c1ccc(c(c1)O)O)O)C"	"JWZZKOKVBUJMES-UHFFFAOYSA-N"	"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3"	""	""	""
"1041"	"isopropylureido-FLFLF"	""	"Peptide"	""	""	""	""	"135652216"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2462"	"isopulegol"	""	"Synthetic organic"	""	""	""	""	"135650123"	"170833"	""	""	"CHEMBL237994"	""	""	""	""	"(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol"	""	"coolact P"	"C[C@@H]1CC[C@H]([C@@H](C1)O)C(=C)C"	"ZYTMANIQRDEHIO-KXUCPTDWSA-N"	"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1"	""	""	""
"10071"	"isoquinoline 17 [PMID: 30122040]"	""	"Synthetic organic"	""	""	""	""	"375973258"	"134813907"	""	""	""	""	""	""	""	"2-(N-{4-[N-(carboxymethyl)4-methoxybenzenesulfonamido]isoquinolin-1-yl}4-methoxybenzenesulfonamido)acetic acid"	""	""	"COc1ccc(cc1)S(=O)(=O)N(c1ncc(c2c1cccc2)N(S(=O)(=O)c1ccc(cc1)OC)CC(=O)O)CC(=O)O"	"SDNGUWKKARNBMG-UHFFFAOYSA-N"	"InChI=1S/C27H25N3O10S2/c1-39-18-7-11-20(12-8-18)41(35,36)29(16-25(31)32)24-15-28-27(23-6-4-3-5-22(23)24)30(17-26(33)34)42(37,38)21-13-9-19(40-2)10-14-21/h3-15H,16-17H2,1-2H3,(H,31,32)(H,33,34)"	""	""	""
"13568"	"isoquinoline alkaloid 15 [PMID: 33485157]"	""	"Natural product"	""	""	""	""	"504705387"	"172431607"	""	""	""	""	""	""	""	"2,7-dihydroxy-6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium"	""	"N,O-dimethylcoclaurine N-oxide"	"COC1=CC=C(CC2C3=C(CC[N+]2(C)O)C=C(CO)C(O)=C3)C=C1"	"OSWFCCCCILGMTI-UHFFFAOYSA-O"	"InChI=1S/C19H23NO4/c1-20(23)8-7-14-10-15(12-21)19(22)11-17(14)18(20)9-13-3-5-16(24-2)6-4-13/h3-6,10-11,18,21,23H,7-9,12H2,1-2H3/p+1"	""	""	""
"10299"	"isosakuranetin"	""	"Natural product"	""	""	""	""	"381744980"	"160481"	""	""	"CHEMBL470266"	""	""	""	""	"(2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one"	""	"4'-Methylnaringenin|naringenin 4'-methyl ether"	"COc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O"	"HMUJXQRRKBLVOO-AWEZNQCLSA-N"	"InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1"	""	""	""
"7051"	"isosorbide dinitrate"	""	"Synthetic organic"	"yes"	""	""	""	"178103630"	"6883"	""	""	"CHEMBL6622"	""	""	""	""	"[(3S,3aS,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] nitrate"	"isosorbide dinitrate"	"Dilatrate-Sr&reg;|ISDN|Isordil&reg;"	"[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-]"	"MOYKHGMNXAOIAT-JGWLITMVSA-N"	"InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1"	""	""	""
"7052"	"isosorbide mononitrate"	""	"Synthetic organic"	"yes"	""	""	""	"178103631"	"27661"	""	""	"CHEMBL1311"	""	""	""	""	"[(3R,3aS,6S,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] nitrate"	"isosorbide mononitrate"	"AHR-4698|BM-22-145|Imdur&reg;|IS-5-MN|ISMN|Monosorb&reg;"	"[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O"	"YWXYYJSYQOXTPL-SLPGGIOYSA-N"	"InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1"	""	""	""
"2900"	"isothiourea-1a"	""	"Synthetic organic"	""	""	""	""	"135650432"	"11176403"	""	""	"CHEMBL452864"	""	""	""	""	"N,N'-dicyclohexyl({5H,6H-imidazo[2,1-b][1,3]thiazol-3-ylmethyl}sulfanyl)methanimidamide"	""	"IT1a"	"C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12"	"ZEZPDHKACVMMCD-UHFFFAOYSA-N"	"InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)"	""	""	""
"2899"	"isothiourea-1t"	""	"Synthetic organic"	""	""	""	""	"135650433"	"25147749"	""	""	"CHEMBL460491"	""	""	""	""	"6-dimethyl-5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}methyl)sulfanyl]methanimidamide"	""	"IT1t"	"CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1"	"OOSUDWRRWZVFEB-UHFFFAOYSA-N"	"InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23)"	"yes"	""	""
"12955"	"isotonitazene"	""	"Synthetic organic"	""	""	""	""	"485206076"	"145721979"	""	""	""	""	""	""	""	"N,N-diethyl-2-[5-nitro-2-[(4-propan-2-yloxyphenyl)methyl]benzimidazol-1-yl]ethanamine"	""	""	"CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)OC(C)C"	"OIOQREYBGDAYGT-UHFFFAOYSA-N"	"InChI=1S/C23H30N4O3/c1-5-25(6-2)13-14-26-22-12-9-19(27(28)29)16-21(22)24-23(26)15-18-7-10-20(11-8-18)30-17(3)4/h7-12,16-17H,5-6,13-15H2,1-4H3"	""	""	""
"7600"	"isotretinoin"	""	"Synthetic organic"	"yes"	""	""	""	"223365935"	"5282379"	""	""	"CHEMBL547"	""	""	""	""	"(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid"	"isotretinoin"	"13-cis retinoic acid"	"C/C(=C\C=C\C(=C/C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C"	"SHGAZHPCJJPHSC-XFYACQKRSA-N"	"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-"	""	""	""
"12129"	"isovanillobiocin"	""	"Natural product"	""	""	""	""	"472319251"	"54713406"	""	""	"CHEMBL1275899"	""	""	""	""	"[(2S,3R,4R,5R)-2-[8-chloro-4-hydroxy-3-[(4-hydroxy-3-methoxybenzoyl)amino]-2-oxochromen-7-yl]oxy-4-hydroxy-5-methoxy-6,6-dimethyloxan-3-yl] 5-methyl-1H-pyrrole-2-carboxylate"	""	"novclobiocin 312"	"Cc1ccc([nH]1)C(=O)O[C@@H]1[C@@H]([C@H](C(O[C@H]1Oc1c(c2c(cc1)c(c(c(=O)o2)NC(=O)c1cc(c(cc1)O)OC)O)Cl)(C)C)OC)O"	"AKYRQFMQZJFLAE-AUHTVUCRSA-N"	"InChI=1S/C31H31ClN2O12/c1-13-6-9-16(33-13)28(39)45-25-23(37)26(42-5)31(2,3)46-30(25)43-18-11-8-15-22(36)21(29(40)44-24(15)20(18)32)34-27(38)14-7-10-17(35)19(12-14)41-4/h6-12,23,25-26,30,33,35-37H,1-5H3,(H,34,38)/t23-,25+,26+,30+/m0/s1"	""	""	"yes"
"6287"	"isovelleral"	""	"Synthetic organic"	""	""	""	""	"178102907"	"37839"	""	""	"CHEMBL518292"	""	""	""	""	"(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6, 6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde"	""	"(+)-isovelleral|iso-velleral"	"O=CC1=C[C@@H]2CC(C[C@@H]2[C@@]2([C@@]1(C=O)C2)C)(C)C"	"PJAAESPGJOSQGZ-DZGBDDFRSA-N"	"InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1"	""	""	""
"7527"	"isoxazole azepine compound 3"	""	"Synthetic organic"	""	""	""	""	"187051828"	"57345400"	""	""	"CHEMBL2431090"	""	""	""	""	""	""	""	"NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)sc(c2C)C"	"DRSQZZRFHBWKKZ-AWEZNQCLSA-N"	"InChI=1S/C20H18ClN3O2S/c1-9-11(3)27-20-16(9)18(12-4-6-13(21)7-5-12)23-14(8-15(22)25)19-17(20)10(2)24-26-19/h4-7,14H,8H2,1-3H3,(H2,22,25)/t14-/m0/s1"	""	""	""
"12492"	"Isox-Cha-Chg-Ala-Arg-Dpr(4FB)-NH2"	""	"Peptide"	""	""	""	""	"479821282"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"12493"	"Isox-Cha-Chg-ARK(Sulfo-Cy5)-NH2"	""	"Peptide"	""	""	"yes"	""	"479821283"	"167993645"	""	""	""	""	""	""	""	"1-(5-{[(5S)-5-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S)-3-cyclohexyl-2-[(1,2-oxazol-5-yl)formamido]propanamido]-2-phenylacetamido]propanamido]pentanamido]-5-carbamoylpentyl]carbamoyl}pentyl)-3,3-dimethyl-2-[(1E,3E)-5-[(2E)-1,3,3-trimethyl-5-sulfonato-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3H-indol-1-ium-5-sulfonate"	""	""	"C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)C2=CC=NO2)C3=CC=CC=C3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNC(=O)CCCCC[N+]4=C(/C=C/C=C/C=C\5/N(C)C6=C(C=C(C=C6)S([O-])(=O)=O)C5(C)C)C(C)(C)C7=C4C=CC(=C7)S([O-])(=O)=O)C(N)=O"	"VXLISXCVTHKWNE-XZFSOASESA-M"	"InChI=1S/C68H91N13O14S2/c1-43(75-65(88)59(45-24-13-8-14-25-45)79-63(86)52(40-44-22-11-7-12-23-44)78-64(87)55-35-38-74-95-55)61(84)77-51(27-21-37-73-66(70)71)62(85)76-50(60(69)83)26-18-19-36-72-58(82)30-17-10-20-39-81-54-34-32-47(97(92,93)94)42-49(54)68(4,5)57(81)29-16-9-15-28-56-67(2,3)48-41-46(96(89,90)91)31-33-53(48)80(56)6/h8-9,13-16,24-25,28-29,31-35,38,41-44,50-52,59H,7,10-12,17-23,26-27,30,36-37,39-40H2,1-6H3,(H13-,69,70,71,72,73,75,76,77,78,79,82,83,84,85,86,87,88,89,90,91,92,93,94)/p-1/t43-,50-,51-,52-,59-/m0/s1"	""	""	""
"2513"	"(+)-isradipine"	""	"Synthetic organic"	""	""	""	""	"135650434"	"158617"	""	""	"CHEMBL400875"	""	""	""	""	"O5-methyl O3-propan-2-yl (4S)-4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate"	"isradipine"	"(+)-PN 200-110|(+-)-isradipine|PN200-110"	"COC(=O)C1=C(C)NC(=C([C@H]1c1cccc2c1non2)C(=O)OC(C)C)C"	"HMJIYCCIJYRONP-INIZCTEOSA-N"	"InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3/t16-/m0/s1"	""	""	""
"4488"	"isradipine"	""	"Synthetic organic"	"yes"	""	""	""	"178101216"	"3784"	""	""	"CHEMBL1648"	""	""	""	""	"O5-methyl O3-propan-2-yl 4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate"	"isradipine"	"(&plusmn;)-isradipine|DynaCirc&reg;|PN-200-110|Prescal&reg;"	"COC(=O)C1=C(C)NC(=C(C1c1cccc2c1non2)C(=O)OC(C)C)C"	"HMJIYCCIJYRONP-UHFFFAOYSA-N"	"InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3"	""	""	""
"1857"	"israpafant"	""	"Synthetic organic"	""	""	""	""	"135651337"	"119175"	""	""	"CHEMBL2107428"	""	""	""	""	"7-(2-chlorophenyl)-9,13-dimethyl-4-{2-[4-(2-methylpropyl)phenyl]ethyl}-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaene"	"israpafant"	"Y 24180|Y-24180"	"CC(Cc1ccc(cc1)CCc1sc2c(c1)C(=NC(c1n2c(C)nn1)C)c1ccccc1Cl)C"	"RMSWMRJVUJSDGN-UHFFFAOYSA-N"	"InChI=1S/C28H29ClN4S/c1-17(2)15-21-11-9-20(10-12-21)13-14-22-16-24-26(23-7-5-6-8-25(23)29)30-18(3)27-32-31-19(4)33(27)28(24)34-22/h5-12,16-18H,13-15H2,1-4H3"	""	""	""
"8930"	"istiratumab"	""	"Antibody"	""	""	""	""	"310264711"	"0"	""	""	""	""	""	""	""	""	"istiratumab"	"MM-141|MM141"	""	""	""	""	""	""
"13068"	"istisociclib"	""	"Synthetic organic"	""	""	""	""	"491299850"	"146502834"	""	""	"CHEMBL5199065"	""	""	""	""	"(1S,3S)-3-N-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine"	"istisociclib"	"compound 28 [PMID: 37967851]|KB-0742|KB0742"	"CCC(CC)C1=NC2=CC=NN2C(=C1)N[C@H]3CC[C@@H](C3)N"	"VYKCLMALANGCDF-STQMWFEESA-N"	"InChI=1S/C16H25N5/c1-3-11(4-2)14-10-16(19-13-6-5-12(17)9-13)21-15(20-14)7-8-18-21/h7-8,10-13,19H,3-6,9,17H2,1-2H3/t12-,13-/m0/s1"	""	""	""
"5608"	"istradefylline"	""	"Synthetic organic"	"yes"	""	""	""	"178102242"	"5311037"	""	""	"CHEMBL431770"	""	""	""	""	"8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione"	"istradefylline"	"KW-6002|KW6002|Nourianz&reg;"	"COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC"	"IQVRBWUUXZMOPW-PKNBQFBNSA-N"	"InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+"	""	""	""
"9704"	"isunakinra"	""	"Peptide"	""	""	""	""	"348353663"	"0"	""	""	"CHEMBL3545190"	""	""	""	""	""	"isunakinra"	"EBI-005"	""	""	""	"yes"	""	""
"5812"	"[<i><sup>t</sup></i>Bu-D-Gly<sup>5</sup>]NPS"	""	"Peptide"	""	""	""	""	"178102437"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11985"	"isuzinaxib"	""	"Synthetic organic"	""	""	""	""	"464244126"	"51036475"	""	""	"CHEMBL4650894"	""	""	""	""	""	"isuzinaxib"	"APX-115|APX115|EWHA-18278 (free base)"	"CCCc1c([nH]n(c1=O)c1ccccn1)c1ccccc1"	"GIWZEELPLKPYBA-UHFFFAOYSA-N"	"InChI=1S/C17H17N3O/c1-2-8-14-16(13-9-4-3-5-10-13)19-20(17(14)21)15-11-6-7-12-18-15/h3-7,9-12,19H,2,8H2,1H3"	""	""	""
"11032"	"IT-62-B"	""	"Synthetic organic"	""	""	""	""	"405560473"	"139584829"	""	""	""	""	""	""	""	"(7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[[(1S,11S,12S)-4-(1-hydroxypropan-2-yl)-9-(2-hydroxypropyl)-7,12-dimethyl-3-oxo-5,8,10,13-tetraoxa-2-azatricyclo[9.4.0.02,6]pentadecan-14-yl]oxy]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione"	""	""	"OCC(C1OC2N(C1=O)[C@H]1CC(O[C@H]([C@H]1OC(OC2C)CC(O)C)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C)C"	"JVRLFIBJALHFAP-JLHPLHHJSA-N"	"InChI=1S/C39H47NO15/c1-15(14-41)35-37(48)40-22-11-26(51-17(3)36(22)54-25(10-16(2)42)52-18(4)38(40)55-35)53-24-13-39(49,19(5)43)12-21-28(24)34(47)30-29(32(21)45)31(44)20-8-7-9-23(50-6)27(20)33(30)46/h7-9,15-18,22,24-26,35-36,38,41-42,45,47,49H,10-14H2,1-6H3/t15?,16?,17-,18?,22-,24-,25?,26?,35?,36+,38?,39-/m0/s1"	""	""	"yes"
"8364"	"itacitinib"	""	"Synthetic organic"	""	""	""	""	"252166576"	"53380437"	""	""	""	""	""	""	""	"2-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile"	"itacitinib"	"Examlpe 294 [WO2011112662]|INCB-039110"	"N#CCC1(CN(C1)C1CCN(CC1)C(=O)c1ccnc(c1F)C(F)(F)F)n1ncc(c1)c1ncnc2c1cc[nH]2"	"KTBSXLIQKWEBRB-UHFFFAOYSA-N"	"InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)"	"yes"	""	""
"10632"	"itacnosertib"	""	"Synthetic organic"	""	""	""	""	"404859079"	"86290265"	""	""	""	""	""	""	""	"2-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-pyridin-2-ylpyridin-3-yl)pyrimidine-2,4-diamine"	"itacnosertib"	"example 11 [WO2014151871A9]|TP-0184|TP0184"	"COc1cc(ccc1N1CCN(CC1)C)Nc1nccc(n1)Nc1cccnc1c1ccccn1"	"XSQKEVGTZSBVBR-UHFFFAOYSA-N"	"InChI=1S/C26H28N8O/c1-33-14-16-34(17-15-33)22-9-8-19(18-23(22)35-2)30-26-29-13-10-24(32-26)31-21-7-5-12-28-25(21)20-6-3-4-11-27-20/h3-13,18H,14-17H2,1-2H3,(H2,29,30,31,32)"	""	""	""
"11826"	"ITH15004"	""	"Synthetic organic"	""	""	""	""	"461663382"	"162651518"	""	""	""	""	""	""	""	"2-(6-chloro-9H-purin-9-yl)-1-(2,4-dichlorophenyl)-1-ethanone"	""	"compound 6 [PMID: 33560845]|ITH-15004"	"Clc1c2ncn(c2ncn1)CC(=O)c1c(cc(cc1)Cl)Cl"	"NLRGSGVPLHCTPK-UHFFFAOYSA-N"	"InChI=1S/C13H7Cl3N4O/c14-7-1-2-8(9(15)3-7)10(21)4-20-6-19-11-12(16)17-5-18-13(11)20/h1-3,5-6H,4H2"	""	""	""
"13123"	"ITK7"	""	"Synthetic organic"	""	""	""	""	"491299905"	"137701959"	""	""	"CHEMBL5191676"	""	""	""	""	"8-methyl-7-prop-1-ynyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one"	""	""	"CC#CC1=C(C)C2=C(C=C1)C(=O)NC(CSC3=NC=CC=N3)=N2"	"VRECINGNBPANGK-UHFFFAOYSA-N"	"InChI=1S/C17H14N4OS/c1-3-5-12-6-7-13-15(11(12)2)20-14(21-16(13)22)10-23-17-18-8-4-9-19-17/h4,6-9H,10H2,1-2H3,(H,20,21,22)"	""	""	""
"9421"	"itolizumab"	""	"Antibody"	"yes"	""	""	""	"328083521"	"0"	""	""	""	""	""	""	""	""	"itolizumab"	"Alzumab&reg;|T1h"	""	""	""	"yes"	""	""
"1743"	"ITP"	""	"Metabolite"	""	""	""	""	"135651496"	"135398643"	""	""	"CHEMBL1233686"	""	""	""	""	"[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate"	""	"inosine triphosphate"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1[nH]cnc2=O"	"HAEJPQIATWHALX-KQYNXXCUSA-N"	"InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1"	""	""	""
"11426"	"itraconazole"	""	"Synthetic organic"	"yes"	""	""	""	"440816795"	"55283"	""	""	"CHEMBL22587"	""	""	""	""	"2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one"	"itraconazole"	"ITZ|R-51211|R51211|Sporanox&reg;"	"CCC(n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC[C@H]1CO[C@](O1)(Cn1cncn1)c1ccc(cc1Cl)Cl)C"	"VHVPQPYKVGDNFY-ZPGVKDDISA-N"	"InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1"	""	""	""
"6499"	"<i>trans</i>-2-methylcrotonic acid"	""	"Natural product"	""	""	""	""	"178103113"	"125468"	""	""	"CHEMBL52416"	""	""	""	""	"2-methylbut-2-enoic acid"	""	"tiglic acid"	"C/C(=C\C)/C(=O)O"	"UIERETOOQGIECD-ONEGZZNKSA-N"	"InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+"	""	""	""
"4099"	"<i>trans</i>-3-ACPBPA"	""	"Synthetic organic"	""	""	""	""	"178100922"	"11629817"	""	""	""	""	""	""	""	"[(1R,3R)-3-aminocyclopentyl](butyl)phosphinic acid"	""	""	"CCCCP(=O)([C@@H]1CC[C@H](C1)N)O"	"UQGQAMARAMOEID-RKDXNWHRSA-N"	"InChI=1S/C9H20NO2P/c1-2-3-6-13(11,12)9-5-4-8(10)7-9/h8-9H,2-7,10H2,1H3,(H,11,12)/t8-,9-/m1/s1"	""	""	""
"968"	"<i>trans</i>-flupenthixol"	""	"Synthetic organic"	""	""	""	""	"135651274"	"5281878"	""	""	"CHEMBL42055"	""	""	""	""	"2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol"	"flupentixol"	"(E)-flupenthixol|beta-flupenthixol|flupentixol hydrochloride|trans-(E)-flupentixol"	"OCCN1CCN(CC1)CC/C=C/1\c2ccccc2Sc2c1cc(cc2)C(F)(F)F"	"NJMYODHXAKYRHW-BLLMUTORSA-N"	"InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+"	""	""	""
"1209"	"(+)-<i>trans</i>-H<sub>2</sub>-PAT"	""	"Synthetic organic"	""	""	""	""	"135650436"	"10106214"	""	""	"CHEMBL127307"	""	""	""	""	"(2S,4R)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine"	""	""	"CN([C@@H]1Cc2ccccc2[C@H](C1)c1ccccc1)C"	"DXJUCAUQIHNOAF-SJLPKXTDSA-N"	"InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1"	""	""	""
"1212"	"(-)-<i>trans</i>-H<sub>2</sub>-PAT"	""	"Synthetic organic"	""	""	""	""	"135650435"	"10015055"	""	""	""	""	""	""	""	"(2R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine"	""	"H2-Pat"	"CN([C@H]1Cc2ccccc2[C@@H](C1)c1ccccc1)C"	"DXJUCAUQIHNOAF-WMZOPIPTSA-N"	"InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m0/s1"	""	""	""
"909"	"itriglumide"	""	"Synthetic organic"	""	""	""	""	"135650437"	"6604121"	""	""	"CHEMBL1256717"	""	""	""	""	"(3R)-5-[[2-(8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylphenyl]amino]-3-naphthalen-1-yl-5-oxopentanoic acid"	"itriglumide"	"CR-2945"	"OC(=O)C[C@H](c1cccc2c1cccc2)CC(=O)Nc1c(C)cc(cc1C(=O)N1CCC2(CC1)CCCC2)C"	"MFOOVZCXWVAWOV-RUZDIDTESA-N"	"InChI=1S/C33H38N2O4/c1-22-18-23(2)31(28(19-22)32(39)35-16-14-33(15-17-35)12-5-6-13-33)34-29(36)20-25(21-30(37)38)27-11-7-9-24-8-3-4-10-26(24)27/h3-4,7-11,18-19,25H,5-6,12-17,20-21H2,1-2H3,(H,34,36)(H,37,38)/t25-/m1/s1"	""	""	""
"3854"	"iturelix"	""	"Peptide"	""	""	""	""	"178100693"	"16130938"	""	""	""	""	""	""	""	""	"iturelix"	"antide|D 21074|ORF 23541"	"OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N)C)CCCCNC(C)C)CC(C)C)CCCCNC(=O)c1cccnc1)CCCCNC(=O)c1cccnc1)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1"	"QRYFGTULTGLGHU-NBERXCRTSA-N"	"InChI=1S/C82H108ClN17O14/c1-50(2)41-65(76(108)95-64(26-11-12-37-88-51(3)4)82(114)100-40-18-27-70(100)81(113)91-52(5)71(84)103)96-75(107)63(25-10-14-39-90-73(105)60-23-17-36-87-48-60)93-74(106)62(24-9-13-38-89-72(104)59-22-16-35-86-47-59)94-80(112)69(49-101)99-79(111)68(45-56-19-15-34-85-46-56)98-78(110)67(43-54-29-32-61(83)33-30-54)97-77(109)66(92-53(6)102)44-55-28-31-57-20-7-8-21-58(57)42-55/h7-8,15-17,19-23,28-36,42,46-48,50-52,62-70,88,101H,9-14,18,24-27,37-41,43-45,49H2,1-6H3,(H2,84,103)(H,89,104)(H,90,105)(H,91,113)(H,92,102)(H,93,106)(H,94,112)(H,95,108)(H,96,107)(H,97,109)(H,98,110)(H,99,111)/t52-,62+,63-,64+,65+,66-,67-,68-,69+,70+/m1/s1"	""	""	""
"8880"	"IU1"	""	"Synthetic organic"	""	""	""	""	"252827537"	"675434"	""	""	"CHEMBL1410015"	""	""	""	""	"1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone"	""	""	"Fc1ccc(cc1)n1c(C)cc(c1C)C(=O)CN1CCCC1"	"JUWDSDKJBMFLHE-UHFFFAOYSA-N"	"InChI=1S/C18H21FN2O/c1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3"	""	""	""
"14644"	"IU1-47"	""	"Synthetic organic"	""	""	""	""	"530846892"	"675477"	""	""	"CHEMBL5559452"	""	""	""	""	"1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone"	""	""	"CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)CN3CCCCC3"	"VXQIPRWKLACSKZ-UHFFFAOYSA-N"	"InChI=1S/C19H23ClN2O/c1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17/h6-9,12H,3-5,10-11,13H2,1-2H3"	""	""	""
"2357"	"ivabradine"	""	"Synthetic organic"	"yes"	""	""	""	"135650438"	"132999"	""	""	"CHEMBL471737"	""	""	""	""	"3-[3-[[(8S)-3,4-dimethoxy-8-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one"	"ivabradine"	"Corlanor&reg;|Corlentor&reg;|Procoralan&reg;|S-16257"	"COc1cc2C[C@@H](c2cc1OC)CN(CCCN1CCc2c(CC1=O)cc(c(c2)OC)OC)C"	"ACRHBAYQBXXRTO-OAQYLSRUSA-N"	"InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/t21-/m1/s1"	""	""	""
"4342"	"ivacaftor"	""	"Synthetic organic"	"yes"	""	""	""	"178101159"	"16220172"	""	""	"CHEMBL2010601"	""	""	""	""	"N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide"	"ivacaftor"	"compound 48 [PMID: 25441013]|Kalydeco&reg;|VX-770"	"O=C(c1c[nH]c2c(c1=O)cccc2)Nc1cc(O)c(cc1C(C)(C)C)C(C)(C)C"	"PURKAOJPTOLRMP-UHFFFAOYSA-N"	"InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)"	""	""	""
"11878"	"ivarmacitinib"	""	"Synthetic organic"	"yes"	""	""	""	"461663434"	"71622431"	""	""	""	""	""	""	""	"(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide"	"ivarmacitinib"	"Asuda&reg; (China)|example 34 [WO2013091539A1]|SHR-0302|SHR0302"	"CN(C1C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1nc(ns1)OC)c1ncnc2c1cc[nH]2"	"DNBCBAXDWNDRNO-FOSCPWQOSA-N"	"InChI=1S/C18H22N8O2S/c1-25(15-13-3-4-19-14(13)20-9-21-15)12-5-10-7-26(8-11(10)6-12)18(27)23-17-22-16(28-2)24-29-17/h3-4,9-12H,5-8H2,1-2H3,(H,19,20,21)(H,22,23,24,27)/t10-,11+,12?"	"yes"	""	""
"2373"	"ivermectin"	""	"Synthetic organic"	"yes"	""	""	""	"135650439"	"6427057"	""	""	""	""	""	""	""	"(1'R,2R,4'S,10'E,14'E,16'E,21'R)-6-(butan-2-yl)-21',24'-dihydroxy-12'-{[(2R,4S,6S)-5-{[(2S,4S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one"	"ivermectin"	"Heartgard&reg;|ivermectin B<sub>1a</sub>|MK-933|Sklice&reg;|Soolantra&reg;"	"CO[C@H]1C[C@H](OC2C(C)/C=C/C=C/3\COC4C3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3CC(C/C=C/2\C)O[C@]2(C3)CCC(C(O2)C(CC)C)C)O[C@H](C1O[C@H]1C[C@H](OC)C([C@@H](O1)C)O)C"	"AZSNMRSAGSSBNP-ZLRQRZFZSA-N"	"InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25?,26?,28?,30-,31-,33?,34-,35-,36-,37-,38-,39-,40+,41?,42?,43?,44?,45?,47+,48?/m0/s1"	""	""	"yes"
"13396"	"ivonescimab"	""	"Antibody"	"yes"	""	""	""	"496703366"	"0"	""	""	""	""	""	""	""	""	"ivonescimab"	"AK-112|AK112|Idafang&reg; (China)|SMT-112|SMT112"	""	""	""	"yes"	""	""
"9217"	"ivosidenib"	""	"Synthetic organic"	"yes"	""	""	""	"315661293"	"71657455"	""	""	""	""	""	""	""	"(2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide"	"ivosidenib"	"AG-120|AG120|Tibsovo&reg;"	"N#Cc1ccnc(c1)N1C(=O)CC[C@H]1C(=O)N([C@@H](c1ccccc1Cl)C(=O)NC1CC(C1)(F)F)c1cncc(c1)F"	"WIJZXSAJMHAVGX-DHLKQENFSA-N"	"InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1"	""	""	""
"13524"	"IWY357"	""	"Synthetic organic"	""	""	""	""	"500839934"	"171922539"	""	""	""	""	""	""	""	""	""	"IWY-357|NVP-IWY357"	"FS(F)(F)(F)(C1=CC=C2NC(C3=NC(C(NCC(C)(C)N)=O)=CN=C3)=C(C)C2=C1)F"	"HPXREYVNZDJZJA-UHFFFAOYSA-N"	"InChI=1S/C18H20F5N5OS/c1-10-12-6-11(30(19,20,21,22)23)4-5-13(12)28-16(10)14-7-25-8-15(27-14)17(29)26-9-18(2,3)24/h4-8,28H,9,24H2,1-3H3,(H,26,29)"	""	"yes"	""
"6824"	"ixabepilone"	""	"Synthetic organic"	"yes"	""	""	""	"178103430"	"6445540"	""	""	"CHEMBL1201752"	""	""	""	""	"(1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-1,5,7,9,9-pentamethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-13-azabicyclo[14.1.0]heptadecane-8,12-dione"	"ixabepilone"	"azaepothilone B|BMS 247550-1|BMS-247550|BMS-247550-01|Ixempra&reg;"	"O=C1N[C@@H](C[C@@H]2O[C@]2(C)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)/C(=C/c1csc(n1)C)/C"	"FABUFPQFXZVHFB-PVYNADRNSA-N"	"InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1"	""	""	""
"8450"	"ixazomib"	""	"Synthetic organic"	"yes"	""	""	""	"252166660"	"25183872"	""	""	"CHEMBL2141296"	""	""	""	""	"[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]boronic acid"	"ixazomib"	"MLN-2238|MLN2238|Ninlaro&reg;"	"OB([C@@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)CC(C)C)O"	"MXAYKZJJDUDWDS-LBPRGKRZSA-N"	"InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1"	""	""	""
"7541"	"ixekizumab"	""	"Antibody"	"yes"	""	""	""	"187051842"	"0"	""	""	""	""	""	""	""	""	"ixekizumab"	"LY-2439821|LY2439821|Taltz&reg;"	""	""	""	"yes"	""	""
"14566"	"izalontamab brengitecan"	""	"Antibody"	"yes"	""	""	""	"530846814"	"0"	""	""	""	""	""	""	""	""	"izalontamab brengitecan"	"BL-B01D1|BMS-986507|BMS986507|Iza-bren&reg;"	""	""	""	""	""	""
"10458"	"izencitinib"	""	"Synthetic organic"	""	""	""	""	"385612218"	"124090478"	""	""	""	""	""	""	""	"3-[(1R,5S)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile"	"izencitinib"	"example 1 [WO2016191524A1]|JNJ-8398|JNJ8398|TD-1473|TD1473"	"N#CCCN1[C@@H]2CC[C@H]1CC(C2)Nc1nc(Nc2n[nH]c(c2)C)cc2c1cccn2"	"DADAEARVGOQWHV-ALOPSCKCSA-N"	"InChI=1S/C22H26N8/c1-14-10-21(29-28-14)26-20-13-19-18(4-2-8-24-19)22(27-20)25-15-11-16-5-6-17(12-15)30(16)9-3-7-23/h2,4,8,10,13,15-17H,3,5-6,9,11-12H2,1H3,(H3,25,26,27,28,29)/t15?,16-,17+"	"yes"	""	""
"14464"	"izilendustat"	""	"Synthetic organic"	""	""	""	""	"528429785"	"52912218"	""	""	"CHEMBL3115298"	""	""	""	""	"tert-butyl 4-[[1-[(4-chlorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate"	"izilendustat"	"AKB‐4924|Akebia‐4924|GB-004|GB004"	"CC(C)(C)OC(=O)N1CCN(CC1)CC2=C(C(=O)N(C=C2)CC3=CC=C(C=C3)Cl)O"	"UPJZLOCUUOIMNC-UHFFFAOYSA-N"	"InChI=1S/C22H28ClN3O4/c1-22(2,3)30-21(29)25-12-10-24(11-13-25)15-17-8-9-26(20(28)19(17)27)14-16-4-6-18(23)7-5-16/h4-9,27H,10-15H2,1-3H3"	""	""	""
"7743"	"izorlisib"	""	"Synthetic organic"	""	""	""	""	"223366076"	"49784945"	""	""	"CHEMBL1684984"	""	""	""	""	"5-[7-methanesulfonyl-2-(morpholin-4-yl)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine"	"izorlisib"	"CH 5132799|CH-5132799|CH5132799|MEN-1611|MEN1611"	"Nc1ncc(cn1)c1nc(nc2c1CCN2S(=O)(=O)C)N1CCOCC1"	"JEGHXKRHKHPBJD-UHFFFAOYSA-N"	"InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18)"	""	""	""
"3070"	"J-104118"	""	"Synthetic organic"	""	""	""	""	"135650440"	"10460101"	""	""	"CHEMBL61985"	""	""	""	""	"(2S)-2-({[(2S,3S)-4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-yl]carbamoyl}methyl)butanedioic acid"	""	"J 104118"	"O=C(C[C@H](C(=O)O)CC(=O)O)N[C@H]([C@H](c1ccc(c(c1)F)c1ccccc1)Cc1ccc(c(c1)Cl)Cl)C"	"NBRLADMQSZWKGO-XUEUYAKLSA-N"	"InChI=1S/C28H26Cl2FNO5/c1-16(32-26(33)14-20(28(36)37)15-27(34)35)22(11-17-7-10-23(29)24(30)12-17)19-8-9-21(25(31)13-19)18-5-3-2-4-6-18/h2-10,12-13,16,20,22H,11,14-15H2,1H3,(H,32,33)(H,34,35)(H,36,37)/t16-,20-,22+/m0/s1"	""	""	""
"3110"	"J-104123"	""	"Synthetic organic"	""	""	""	""	"135650441"	"9848748"	""	""	"CHEMBL143820"	""	""	""	""	"(3R)-4-{[(2S,3S,4E)-3-[(3,4-dichlorophenyl)methyl]-5-(naphthalen-2-yl)pent-4-en-2-yl]carbamoyl}-3-methylbutanoic acid"	""	""	"C[C@@H](CC(=O)O)CC(=O)N[C@H]([C@@H](Cc1ccc(c(c1)Cl)Cl)/C=C/c1ccc2c(c1)cccc2)C"	"LVRZMZFXRFKCCY-KSYFVSBMSA-N"	"InChI=1S/C28H29Cl2NO3/c1-18(14-28(33)34)13-27(32)31-19(2)23(16-21-9-12-25(29)26(30)17-21)11-8-20-7-10-22-5-3-4-6-24(22)15-20/h3-12,15,17-19,23H,13-14,16H2,1-2H3,(H,31,32)(H,33,34)/b11-8+/t18-,19+,23-/m1/s1"	""	""	""
"1691"	"J-113397"	""	"Synthetic organic"	""	""	""	""	"135650442"	"5311194"	""	""	"CHEMBL357076"	""	""	""	""	"1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one"	""	"J-113,397|J113397"	"OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1"	"MBGVUMXBUGIIBQ-LEWJYISDSA-N"	"InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m0/s1"	""	""	""
"6075"	"J18 (galanin analogue)"	""	"Peptide"	""	""	""	""	"178102696"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6076"	"J20 (galanin analogue)"	""	"Peptide"	""	""	""	""	"178102697"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10115"	"J-2156"	""	"Synthetic organic"	""	""	""	""	"381118825"	"11442741"	""	""	""	""	""	""	""	"(2S)-4-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanamide"	""	"J 2156|J2156"	"NCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NS(=O)(=O)c1ccc(c2c1cccc2)C"	"VTNCZBXJSGKDLS-SFTDATJTSA-N"	"InChI=1S/C24H28N4O4S/c1-16-11-12-22(19-10-6-5-9-18(16)19)33(31,32)28-20(13-14-25)24(30)27-21(23(26)29)15-17-7-3-2-4-8-17/h2-12,20-21,28H,13-15,25H2,1H3,(H2,26,29)(H,27,30)/t20-,21-/m0/s1"	""	""	""
"12804"	"J27644"	""	"Synthetic organic"	""	""	""	""	"483123352"	"168433306"	""	""	""	""	""	""	""	"4-{[8-Chloro-3,4-dihydro-2,4-dioxoquinazolin-1(2H)-yl]methyl}-N-hydroxybenzamide"	""	"compound 15 [PMID: 37463500]|J-27644"	"O=C1C2=CC=CC(Cl)=C2N(CC3=CC=C(C(NO)=O)C=C3)C(N1)=O"	"OWMZGLVMABQUAQ-UHFFFAOYSA-N"	"InChI=1S/C16H12ClN3O4/c17-12-3-1-2-11-13(12)20(16(23)18-15(11)22)8-9-4-6-10(7-5-9)14(21)19-24/h1-7,24H,8H2,(H,19,21)(H,18,22,23)"	""	""	""
"10429"	"J30-8"	""	"Synthetic organic"	""	""	""	""	"385612189"	"4078145"	""	""	""	""	""	""	""	"3-[(2Z,5Z)-2-[(2-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-5-fluoro-2,3-dihydro-1H-indol-2-one"	""	""	"Fc1ccc2c(c1)/C(=C\1/S/C(=N\c3ccccc3Cl)/NC1=O)/C(=O)N2"	"HNOFQKYBQYGFNQ-YPKPFQOOSA-N"	"InChI=1S/C17H9ClFN3O2S/c18-10-3-1-2-4-12(10)21-17-22-16(24)14(25-17)13-9-7-8(19)5-6-11(9)20-15(13)23/h1-7H,(H,20,23)(H,21,22,24)/b14-13-"	""	""	""
"13352"	"Jagged2"	"Human"	"Peptide"	""	""	""	""	"496703322"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10156"	"JAK3 inhibitor 32"	""	"Synthetic organic"	""	""	""	""	"381118866"	"137321159"	""	""	""	""	""	""	""	"N-((1R,3S)-3-Cyanamido-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl)-3-cyanobenzenesulfonamide"	""	"compound 32 [PMID: 30423248]"	"N#CN[C@H]1C[C@H](c2c1cc(cc2)c1ncnc2c1cc[nH]2)NS(=O)(=O)c1cccc(c1)F"	"MLJSOTTYIVCEQO-VQTJNVASSA-N"	"InChI=1S/C22H17FN6O2S/c23-14-2-1-3-15(9-14)32(30,31)29-20-10-19(26-11-24)18-8-13(4-5-16(18)20)21-17-6-7-25-22(17)28-12-27-21/h1-9,12,19-20,26,29H,10H2,(H,25,27,28)/t19-,20+/m0/s1"	"yes"	""	""
"10157"	"JAK3 inhibitor 34"	""	"Synthetic organic"	""	""	""	""	"381118867"	"137321160"	""	""	""	""	""	""	""	"(S)-N-(6-(5-Phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl)cyanamide"	""	"compound 34 [PMID: 30423248]"	"N#CN[C@H]1CCc2c1cc(cc2)c1ncnc2c1c(c[nH]2)c1ccccc1"	"LOSIDNZHKAVMKF-IBGZPJMESA-N"	"InChI=1S/C22H17N5/c23-12-25-19-9-8-15-6-7-16(10-17(15)19)21-20-18(14-4-2-1-3-5-14)11-24-22(20)27-13-26-21/h1-7,10-11,13,19,25H,8-9H2,(H,24,26,27)/t19-/m0/s1"	"yes"	""	""
"5993"	"JAK3 inhibitor II"	""	"Synthetic organic"	""	""	""	""	"178102615"	"3795"	""	""	"CHEMBL473773"	""	""	""	""	"2-bromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol"	""	"WHI-P154"	"COc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1)Br)O"	"CBIAKDAYHRWZCU-UHFFFAOYSA-N"	"InChI=1S/C16H14BrN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-13(21)11(17)5-9/h3-8,21H,1-2H3,(H,18,19,20)"	""	""	""
"5994"	"JAK3 inhibitor IV"	""	"Synthetic organic"	""	""	""	""	"178102616"	"3797"	""	""	"CHEMBL596674"	""	""	""	""	"3-[benzyl(propan-2-yl)amino]-1-(naphthalen-2-yl)propan-1-one"	""	"ZM-39923|ZM39923"	"CC(N(Cc1ccccc1)CCC(=O)c1ccc2c(c1)cccc2)C"	"JSASWRWALCMOQP-UHFFFAOYSA-N"	"InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3"	""	""	""
"5995"	"JAK3 inhibitor VI"	""	"Synthetic organic"	""	""	""	""	"178102617"	"9947841"	""	""	"CHEMBL323994"	""	""	""	""	"(3Z)-5-(pyridin-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one; methanesulfonic acid"	""	""	"O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(cc2)c1cccnc1"	"IQNTXIMXKCURDC-YBEGLDIGSA-N"	"InChI=1S/C18H13N3O/c22-18-16(10-14-4-2-8-20-14)15-9-12(5-6-17(15)21-18)13-3-1-7-19-11-13/h1-11,20H,(H,21,22)/b16-10-"	""	""	""
"10148"	"JAK inhibitor 17b"	""	"Synthetic organic"	""	""	""	""	"381118858"	"137321156"	""	""	""	""	""	""	""	"4-(Cyclohexylmethyl)-7,8-dimethoxy-1,4-dihydro-5H-benzo[c]pyrrolo[2,3-h][1,6]naphthyridin-5-one"	""	""	"COc1cc2c(=O)n(CC3CCCCC3)c3c(c2cc1OC)cnc1c3cc[nH]1"	"RSFALMGMTQBFJZ-UHFFFAOYSA-N"	"InChI=1S/C23H25N3O3/c1-28-19-10-16-17(11-20(19)29-2)23(27)26(13-14-6-4-3-5-7-14)21-15-8-9-24-22(15)25-12-18(16)21/h8-12,14H,3-7,13H2,1-2H3,(H,24,25)"	"yes"	""	""
"10147"	"JAK inhibitor 20a"	""	"Synthetic organic"	""	""	""	""	"381118857"	"137321155"	""	""	""	""	""	""	""	"(R)-1-(2-(7,8-Dimethoxy-5-oxo-1,5-dihydro-4H-benzo[c]pyrrolo[2,3-h][1,6]naphthyridin-4-yl)butanoyl)azetidine-3-carbonitrile"	""	""	"N#CC1CN(C1)C(=O)[C@H](n1c(=O)c2cc(OC)c(cc2c2c1c1cc[nH]c1nc2)OC)CC"	"ZDNBWZRRFSXDFS-GOSISDBHSA-N"	"InChI=1S/C24H23N5O4/c1-4-18(24(31)28-11-13(9-25)12-28)29-21-14-5-6-26-22(14)27-10-17(21)15-7-19(32-2)20(33-3)8-16(15)23(29)30/h5-8,10,13,18H,4,11-12H2,1-3H3,(H,26,27)/t18-/m1/s1"	"yes"	""	""
"5992"	"JAK inhibitor I"	""	"Synthetic organic"	""	""	""	""	"178102614"	"5494425"	""	""	"CHEMBL21156"	""	""	""	""	"4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1(17),2(6),4,7(12),8,13,15-heptaen-11-one"	""	"CMP-6"	"Fc1ccc2c(c1)c1c(=O)[nH]ccc1c1c2[nH]c(n1)C(C)(C)C"	"VNDWQCSOSCCWIP-UHFFFAOYSA-N"	"InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)"	""	""	""
"14393"	"jaktinib"	""	"Synthetic organic"	"yes"	""	""	""	"523352185"	"76853606"	""	""	""	""	""	""	""	"N-(cyanomethyl)-4-[2-[4-(3,3,5,5-tetradeuteriomorpholin-4-yl)anilino]pyrimidin-4-yl]benzamide"	""	"momelotinib-3,3,5,5-d4|Zepuping&reg; (China)"	"[2H]C1(COCC(N1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N)([2H])[2H])[2H]"	"ZVHNDZWQTBEVRY-RYIWKTDQSA-N"	"InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)/i13D2,14D2"	""	""	""
"13950"	"janagliflozin"	""	"Synthetic organic"	"yes"	""	""	""	"513757635"	"91820686"	""	""	"CHEMBL4107297"	""	""	""	""	"(2S,3R,4R,5S,6R)-2-[3-[[4-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]phenyl]methyl]-4-chlorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol"	""	"Huiyoujing&reg;|XZP-5695|XZP5695"	"C1[C@H]2[C@@H]1CC(C2)OC3=CC=C(C=C3)CC4=C(C=CC(=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)Cl"	"WDBIPGHUEJEKTC-VWQPKTIXSA-N"	"InChI=1S/C25H29ClO6/c26-20-6-3-14(25-24(30)23(29)22(28)21(12-27)32-25)8-17(20)7-13-1-4-18(5-2-13)31-19-10-15-9-16(15)11-19/h1-6,8,15-16,19,21-25,27-30H,7,9-12H2/t15-,16+,19?,21-,22-,23+,24-,25+/m1/s1"	""	""	""
"1262"	"JB 98064"	""	"Synthetic organic"	""	""	""	""	"135650443"	"10810249"	""	""	"CHEMBL80582"	""	""	""	""	"1-[(4-chlorophenyl)methyl]-1-(7-pyrrolidin-1-ylheptyl)guanidine"	""	"JB-98064"	"Clc1ccc(cc1)CN(C(=N)N)CCCCCCCN1CCCC1"	"ZRIVDXCYPBUSKL-UHFFFAOYSA-N"	"InChI=1S/C19H31ClN4/c20-18-10-8-17(9-11-18)16-24(19(21)22)15-5-3-1-2-4-12-23-13-6-7-14-23/h8-11H,1-7,12-16H2,(H3,21,22)"	""	""	""
"12481"	"JBI-589"	""	"Synthetic organic"	""	""	""	""	"479821271"	"138578805"	""	""	""	""	""	""	""	"[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone"	""	"compound 13 [WO2022034616A1]|JBI589"	"CC1=C(N=C2C=C(C=CN12)C(=O)N3CCC[C@@H](N)C3)C4=CC5=CC=CC=C5N4CC6=CC=C(F)C=C6"	"DUVCPNSLXBKGOK-XMMPIXPASA-N"	"InChI=1S/C29H28FN5O/c1-19-28(32-27-16-22(12-14-34(19)27)29(36)33-13-4-6-24(31)18-33)26-15-21-5-2-3-7-25(21)35(26)17-20-8-10-23(30)11-9-20/h2-3,5,7-12,14-16,24H,4,6,13,17-18,31H2,1H3/t24-/m1/s1"	""	""	""
"12982"	"JBJ-04-125-02"	""	"Synthetic organic"	""	""	""	""	"485206103"	"124173751"	""	""	""	""	""	""	""	"(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide"	""	""	"C1CN(CCN1)C2=CC=C(C=C2)C3=CC4=C(CN(C4=O)[C@H](C5=C(C=CC(=C5)F)O)C(=O)NC6=NC=CS6)C=C3"	"VHQVOTINPRYDAO-AREMUKBSSA-N"	"InChI=1S/C29H26FN5O3S/c30-21-5-8-25(36)24(16-21)26(27(37)33-29-32-11-14-39-29)35-17-20-2-1-19(15-23(20)28(35)38)18-3-6-22(7-4-18)34-12-9-31-10-13-34/h1-8,11,14-16,26,31,36H,9-10,12-13,17H2,(H,32,33,37)/t26-/m1/s1"	""	""	""
"12001"	"JBJ-09-063"	""	"Synthetic organic"	""	""	""	""	"464244142"	"163358785"	""	""	""	""	""	""	""	""	""	""	"CN1CCC(CC1)c1ccc(cc1)c1cc2c(CN(C(C(=O)Nc3nccs3)c3c(O)ccc(F)c3)C2=O)cc1"	"SYTVDTWRIZNVEW-UHFFFAOYSA-N"	"InChI=1S/C31H29FN4O3S/c1-35-13-10-21(11-14-35)19-2-4-20(5-3-19)22-6-7-23-18-36(30(39)25(23)16-22)28(26-17-24(32)8-9-27(26)37)29(38)34-31-33-12-15-40-31/h2-9,12,15-17,21,28,37H,10-11,13-14,18H2,1H3,(H,33,34,38)"	""	""	""
"1564"	"JCF 109"	""	"Synthetic organic"	""	""	""	""	"135650444"	"73755001"	""	""	""	""	""	""	""	""	""	"JCF-109|JCF109"	"O=N(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CC[C@H](CC1)CNc1ccc2c(c1)cccc2"	"BPBPTEVVRMSHTB-WGSAOQKQSA-N"	"InChI=1S/C24H27N3O4S/c28-27(29)23-7-3-4-8-24(23)32(30,31)26-17-19-11-9-18(10-12-19)16-25-22-14-13-20-5-1-2-6-21(20)15-22/h1-8,13-15,18-19,25-26H,9-12,16-17H2/t18-,19-"	""	""	""
"14559"	"JD03-02"	""	"Synthetic organic"	""	""	""	""	"528429880"	"178342687"	""	""	""	""	""	""	""	""	""	""	"C=1C=CC(Cl)=CC1OC2=NC=3N(C)C(=O)N(CCCCN(C)C)C(=O)C3N2CC=4C=CC(Cl)=CC4"	"YXWQJGAYCNABIK-UHFFFAOYSA-N"	"InChI=1S/C25H27Cl2N5O3/c1-29(2)13-4-5-14-31-23(33)21-22(30(3)25(31)34)28-24(35-20-8-6-7-19(27)15-20)32(21)16-17-9-11-18(26)12-10-17/h6-12,15H,4-5,13-14,16H2,1-3H3"	""	""	""
"10690"	"JD5037"	""	"Synthetic organic"	""	""	""	""	"404859137"	"66553204"	""	""	""	""	""	""	""	"(2S)-2-[[[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-[(4-chlorophenyl)sulfonylamino]methylidene]amino]-3-methylbutanamide"	""	"JD-5037"	"Clc1ccc(cc1)C1=NN(C[C@@H]1c1ccccc1)/C(=N\[C@H](C(=O)N)C(C)C)/NS(=O)(=O)c1ccc(cc1)Cl"	"GTCSIQFTNPTSLO-RPWUZVMVSA-N"	"InChI=1S/C27H27Cl2N5O3S/c1-17(2)24(26(30)35)31-27(33-38(36,37)22-14-12-21(29)13-15-22)34-16-23(18-6-4-3-5-7-18)25(32-34)19-8-10-20(28)11-9-19/h3-15,17,23-24H,16H2,1-2H3,(H2,30,35)(H,31,33)/t23-,24+/m1/s1"	""	""	""
"7362"	"JDTic"	""	"Synthetic organic"	""	""	""	""	"178103934"	"9956146"	""	""	"CHEMBL415247"	""	""	""	""	"(3R)-7-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide"	""	"compound 10 [PMID: 11495579]"	"Oc1ccc2c(c1)CN[C@H](C2)C(=O)N[C@@H](C(C)C)CN1CC[C@@]([C@H](C1)C)(C)c1cccc(c1)O"	"ZLVXBBHTMQJRSX-VMGNSXQWSA-N"	"InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1"	""	""	""
"10249"	"Jedi1"	""	"Synthetic organic"	""	""	""	""	"381744931"	"736516"	""	""	""	""	""	""	""	"2-methyl-5-phenylfuran-3-carboxylic acid"	""	""	"OC(=O)c1cc(oc1C)c1ccccc1"	"VLMNACSEESRUAK-UHFFFAOYSA-N"	"InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)"	""	""	""
"14227"	"JEDI-1444"	""	"Synthetic organic"	""	""	""	""	"521588867"	"166075264"	""	""	""	""	""	""	""	"2-[methyl(methylsulfonyl)amino]-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide"	""	""	"CN(C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)S(=O)(=O)C"	"JURGWQSEARSCQN-UHFFFAOYSA-N"	"InChI=1S/C26H27F3N4O5S2/c1-31(39(2,35)36)24-9-4-3-8-23(24)25(34)30-20-10-12-22(13-11-20)40(37,38)33-16-14-32(15-17-33)21-7-5-6-19(18-21)26(27,28)29/h3-13,18H,14-17H2,1-2H3,(H,30,34)"	""	""	"yes"
"10111"	"Jedi2"	""	"Synthetic organic"	""	""	""	""	"381118821"	"2796026"	""	""	""	""	""	""	""	"2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid"	""	"Jedi 2|Jedi-2"	"OC(=O)c1cc(oc1C)c1cccs1"	"YXDCRSXNEOKXDE-UHFFFAOYSA-N"	"InChI=1S/C10H8O3S/c1-6-7(10(11)12)5-8(13-6)9-3-2-4-14-9/h2-5H,1H3,(H,11,12)"	""	""	""
"13332"	"JEDI-852"	""	"Synthetic organic"	""	""	""	""	"496703302"	"1228113"	""	""	"CHEMBL1432883"	""	""	""	""	"2-(methyl-methylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide"	""	""	"CN(C1=C(C=CC=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)S(C)(=O)=O"	"WMMQKHOYQUOGHM-UHFFFAOYSA-N"	"InChI=1S/C20H25N3O5S2/c1-22(29(2,25)26)19-9-5-4-8-18(19)20(24)21-16-10-12-17(13-11-16)30(27,28)23-14-6-3-7-15-23/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,21,24)"	""	""	"yes"
"9668"	"JFD00064"	""	"Synthetic organic"	""	""	""	""	"348353627"	"2817201"	""	""	""	""	""	""	""	"2-[(1-cyanophenanthren-3-yl)methyl]phenanthrene-1-carbonitrile"	""	""	"N#Cc1c(ccc2c1ccc1c2cccc1)Cc1cc(C#N)c2c(c1)c1ccccc1cc2"	"IXJJCXATJSXNJM-UHFFFAOYSA-N"	"InChI=1S/C31H18N2/c32-18-24-16-20(17-30-26-8-4-2-6-22(26)9-12-27(24)30)15-23-11-14-28-25-7-3-1-5-21(25)10-13-29(28)31(23)19-33/h1-14,16-17H,15H2"	""	""	""
"11403"	"JH112"	""	"Synthetic organic"	""	""	""	""	"440816772"	"146675152"	""	""	""	""	""	""	""	"[(2S)-2-[(2S)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone"	""	"compound 2 [PMID: 32669442]"	"CC[C@@H]([C@H]1CN(CCCN1C(=O)c1cc(C)ccc1n1nccn1)c1oc2c(n1)cc(cc2)Cl)C"	"CRLKYMWQHWKXAE-FDDCHVKYSA-N"	"InChI=1S/C26H29ClN6O2/c1-4-18(3)23-16-31(26-30-21-15-19(27)7-9-24(21)35-26)12-5-13-32(23)25(34)20-14-17(2)6-8-22(20)33-28-10-11-29-33/h6-11,14-15,18,23H,4-5,12-13,16H2,1-3H3/t18-,23+/m0/s1"	""	""	""
"14115"	"JH-LPH-33"	""	"Synthetic organic"	""	""	""	""	"518520742"	"145946109"	""	""	""	""	""	""	""	"1-[5-[4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone"	""	""	"CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC(=C4)C(F)(F)F)Cl"	"PDEIRNVIXFZSSJ-UHFFFAOYSA-N"	"InChI=1S/C21H21ClF3N3O3S/c1-14(29)28-5-4-15-10-19(2-3-20(15)28)32(30,31)27-8-6-26(7-9-27)18-12-16(21(23,24)25)11-17(22)13-18/h2-3,10-13H,4-9H2,1H3"	""	""	"yes"
"9886"	"JH-VIII-49"	""	"Synthetic organic"	""	""	""	""	"363894180"	"133081964"	""	""	""	""	""	""	""	""	""	"compound 19 [Hatcher <i>et al.</i>, 2018]"	"CN([C@H]1CC[C@]2(C(=CC[C@@H]3C2CC[C@]2([C@H]3CC[C@@H]2c2ccc3c(c2)cncc3)C)C1)C)C"	"IWZSHWBGHQBIML-ZGGLMWTQSA-N"	"InChI=1S/C30H40N2/c1-29-14-11-24(32(3)4)18-23(29)7-8-25-27-10-9-26(30(27,2)15-12-28(25)29)21-6-5-20-13-16-31-19-22(20)17-21/h5-7,13,16-17,19,24-28H,8-12,14-15,18H2,1-4H3/t24-,25-,26+,27-,28?,29-,30+/m0/s1"	""	""	""
"9887"	"JH-XI-10-02"	""	"Synthetic organic"	""	""	""	""	"363894181"	"133081965"	""	""	""	""	""	""	""	""	""	""	"O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)c(NCCOCCOCCOCCOCCC(=O)N([C@H]1CC[C@]3(C(C1)CC[C@@H]1C3CC[C@]3([C@H]1CC[C@@H]3c1ccc3c(c1)cncc3)C)C)C)ccc2"	"JECHBTRAPARMGI-KMIZWFMDSA-N"	"InChI=1S/C53H69N5O9/c1-52-19-15-38(32-37(52)9-10-39-42-12-11-41(53(42,2)20-16-43(39)52)35-8-7-34-17-21-54-33-36(34)31-35)57(3)47(60)18-23-64-25-27-66-29-30-67-28-26-65-24-22-55-44-6-4-5-40-48(44)51(63)58(50(40)62)45-13-14-46(59)56-49(45)61/h4-8,17,21,31,33,37-39,41-43,45,55H,9-16,18-20,22-30,32H2,1-3H3,(H,56,59,61)/t37?,38-,39-,41+,42-,43?,45?,52-,53+/m0/s1"	""	""	""
"12908"	"JH-XII-03-02"	""	"Synthetic organic"	""	""	""	""	"485206029"	"146552766"	""	""	""	""	""	""	""	"2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[3-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione"	""	"compound 6 [PMID: 37591317]"	"CC1(CC1)OC2=CC=C3C(=C2)C(=NN3)C4=NC=NC(=C4)N5CCN(CC5)C(=O)CCOCCOCCOCCOCCNC6=C7C(=CC=C6)C(=O)N(C8CCC(=O)NC8=O)C7=O"	"XYGRYBJBOSXMHE-UHFFFAOYSA-N"	"InChI=1S/C43H51N9O10/c1-43(10-11-43)62-28-5-6-31-30(25-28)39(49-48-31)33-26-35(46-27-45-33)50-13-15-51(16-14-50)37(54)9-17-58-19-21-60-23-24-61-22-20-59-18-12-44-32-4-2-3-29-38(32)42(57)52(41(29)56)34-7-8-36(53)47-40(34)55/h2-6,25-27,34,44H,7-24H2,1H3,(H,48,49)(H,47,53,55)"	""	""	""
"6523"	"JI-38"	""	"Peptide"	""	""	""	""	"178103137"	"0"	""	""	""	""	""	""	""	""	""	"[Dat<sup>1</sup>,Gln<sup>8</sup>,Orn<sup>12,21</sup>,Abu<sup>15</sup>,Nle<sup>27</sup>Asp<sup>28</sup>,Agm<sup>29</sup>]hGH-RH-(1-29)"	""	""	""	""	""	""
"2574"	"jingzhaotoxin-III"	""	"Peptide"	""	""	""	""	"135652217"	"0"	"P62520"	""	""	""	""	""	""	""	""	"&beta;-theraphotoxin-Cj1a|&beta;-TRTX-Cj1a|Jingzhaotoxin-3|JZTX-III"	""	""	""	""	""	""
"2575"	"jingzhaotoxin-XI"	""	"Peptide"	""	""	""	""	"135652218"	"0"	"P0C247"	""	""	""	""	""	""	""	""	"&kappa;-theraphotoxin-Cj1a|&kappa;-TRTX-Cj1a|Jingzhaotoxin-11|JZTX-11|JZTX-XI"	""	""	""	""	""	""
"14303"	"JJH350"	""	"Synthetic organic"	""	""	""	""	"523352095"	"134813652"	""	""	""	""	""	""	""	""	""	"JJH-350"	"C(C#C)OC1=CC=C(C=C1)N2CCN(CC2)C(=O)ON3C(N4C(CN(CC4)C(C5=CC=C(C=C5)OC6=CC=CC=C6)=O)C3=O)=O"	"UOGVEDLHIDTQCQ-UHFFFAOYSA-N"	"InChI=1S/C33H31N5O7/c1-2-22-43-26-14-10-25(11-15-26)34-16-18-35(19-17-34)33(42)45-38-31(40)29-23-36(20-21-37(29)32(38)41)30(39)24-8-12-28(13-9-24)44-27-6-4-3-5-7-27/h1,3-15,29H,16-23H2"	""	""	""
"9481"	"JJKK 048"	""	"Synthetic organic"	""	""	""	""	"329968421"	"76313567"	""	""	""	""	""	""	""	"[4-[bis(1,3-benzodioxol-5-yl)methyl]piperidin-1-yl]-(1,2,4-triazol-1-yl)methanone"	""	"JJKK-048"	"O=C(n1cncn1)N1CCC(CC1)C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2"	"CLSNATLUIXZPMV-UHFFFAOYSA-N"	"InChI=1S/C23H22N4O5/c28-23(27-12-24-11-25-27)26-7-5-15(6-8-26)22(16-1-3-18-20(9-16)31-13-29-18)17-2-4-19-21(10-17)32-14-30-19/h1-4,9-12,15,22H,5-8,13-14H2"	""	""	""
"11458"	"JK1"	""	"Synthetic organic"	""	""	""	""	"440816827"	"155817522"	""	""	""	""	""	""	""	"(9S)-2-(2-chlorophenyl)-9-(4-hydroxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one"	""	"(<i>S</i>)-JK0621-D008"	"Oc1ccc(cc1)[C@H]1C2=C(CCCC2=O)Nc2n1nc(n2)c1ccccc1Cl"	"USSMQJUVPNGHNK-IBGZPJMESA-N"	"InChI=1S/C21H17ClN4O2/c22-15-5-2-1-4-14(15)20-24-21-23-16-6-3-7-17(28)18(16)19(26(21)25-20)12-8-10-13(27)11-9-12/h1-2,4-5,8-11,19,27H,3,6-7H2,(H,23,24,25)/t19-/m0/s1"	""	""	""
"12731"	"JL-2-39"	""	"Synthetic organic"	""	""	""	""	"483123279"	"168433301"	""	""	""	""	""	""	""	"3-((1S,5R,9R)-9-(2-Hydroxyethyl)-2-phenethyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol"	""	"JL-02-0111"	"OCC[C@H]1[C@H]2N(CC[C@@]1(CCC2)C=3C=C(C=CC3)O)CCC4=CC=CC=C4"	"UTWWZWIDXVPCJG-HJOGWXRNSA-N"	"InChI=1S/C24H31NO2/c26-17-12-22-23-10-5-13-24(22,20-8-4-9-21(27)18-20)14-16-25(23)15-11-19-6-2-1-3-7-19/h1-4,6-9,18,22-23,26-27H,5,10-17H2/t22-,23-,24-/m0/s1"	""	""	""
"9114"	"JMR-132"	""	"Peptide"	""	""	""	""	"315661199"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"12480"	"JMS-053"	""	"Synthetic organic"	""	""	""	""	"479821270"	"124141953"	""	""	"CHEMBL4445621"	""	""	""	""	"7-imino-2-phenylthieno[3,2-c]pyridine-4,6-dione"	""	"compound 13 [PMID: 33766767]"	"C1=CC=C(C=C1)C2=CC3=C(S2)C(=N)C(=O)NC3=O"	"CQHAROORCYWRRH-UHFFFAOYSA-N"	"InChI=1S/C13H8N2O2S/c14-10-11-8(12(16)15-13(10)17)6-9(18-11)7-4-2-1-3-5-7/h1-6,14H,(H,15,16,17)"	""	""	""
"10390"	"JMS-17-2"	""	"Synthetic organic"	""	""	""	""	"384403669"	"57382073"	""	""	""	""	""	""	""	"5-[3-[4-(4-Chlorophenyl)-1-piperidinyl]propyl]pyrrolo[1,2-a]quinoxalin-4(5H)-one"	""	"JMS 17-2"	"Clc1ccc(cc1)C1CCN(CC1)CCCn1c(=O)c2cccn2c2c1cccc2"	"WOSMCMULWWHMIV-UHFFFAOYSA-N"	"InChI=1S/C25H26ClN3O/c26-21-10-8-19(9-11-21)20-12-17-27(18-13-20)14-4-16-29-23-6-2-1-5-22(23)28-15-3-7-24(28)25(29)30/h1-3,5-11,15,20H,4,12-14,16-18H2"	""	""	""
"670"	"JMV1116"	""	"Peptide"	""	""	""	""	"135652219"	"0"	""	""	""	""	""	""	""	""	""	"JMV 1116|JMV-1116"	""	""	""	""	""	""
"656"	"JMV1431"	""	"Peptide"	""	""	""	""	"135652220"	"44316620"	""	""	"CHEMBL408846"	""	""	""	""	""	""	"JMV 1431|JMV-1431"	"OC[C@@H](C(=O)N[C@@H]1CSc2c(N(C1=O)CC(=O)O)cccc2)NC(=O)C(Cc1cccs1)NC(=O)CNC(=O)[C@@H]1CC(CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)C(CCCN=C(N)N)N)CCCN=C(N)N)O"	"YMROZBYZFLPAPA-RONNJKQASA-N"	"InChI=1S/C45H65N15O12S2/c46-26(8-3-13-51-44(47)48)37(66)55-27(9-4-14-52-45(49)50)41(70)58-15-5-11-32(58)43(72)59-20-24(62)17-33(59)40(69)53-19-35(63)54-28(18-25-7-6-16-73-25)38(67)56-29(22-61)39(68)57-30-23-74-34-12-2-1-10-31(34)60(42(30)71)21-36(64)65/h1-2,6-7,10,12,16,24,26-30,32-33,61-62H,3-5,8-9,11,13-15,17-23,46H2,(H,53,69)(H,54,63)(H,55,66)(H,56,67)(H,57,68)(H,64,65)(H4,47,48,51)(H4,49,50,52)/t24?,26?,27-,28?,29+,30-,32+,33+/m1/s1"	""	""	""
"3888"	"JMV180"	""	"Peptide"	""	""	""	""	"178100724"	"5311196"	""	""	""	""	""	""	""	"(3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxo-4-(2-phenylethoxy)butanoic acid"	""	"Boc-Tyr(SO<sub>3</sub>H)Ahx-Gly-Trp-Ahx-Asp<sup>2</sup>phenylethyl ester|JMV 180|JMV-180"	"CCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)OCCc1ccccc1)CC(=O)O)CCCC)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc1ccc(cc1)OS(=O)(=O)O"	"IOXMTWKALARBDR-FDXDWZSASA-N"	"InChI=1S/C51H67N7O15S/c1-6-8-18-38(55-47(64)40(58-50(67)72-51(3,4)5)27-33-21-23-35(24-22-33)73-74(68,69)70)45(62)53-31-43(59)54-41(28-34-30-52-37-20-14-13-17-36(34)37)48(65)56-39(19-9-7-2)46(63)57-42(29-44(60)61)49(66)71-26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,52H,6-9,18-19,25-29,31H2,1-5H3,(H,53,62)(H,54,59)(H,55,64)(H,56,65)(H,57,63)(H,58,67)(H,60,61)(H,68,69,70)/t38-,39-,40-,41-,42-/m0/s1"	""	""	""
"1568"	"JMV2004"	""	"Peptide"	""	""	""	""	"135652221"	"0"	""	""	""	""	""	""	""	""	""	"JMV 2004|JMV-2004"	""	""	""	""	""	""
"5872"	"JMV3008"	""	"Synthetic organic"	""	""	""	""	"178102496"	"74015851"	""	""	""	""	""	""	""	"(2S)-N-[(1R)-1-[4-(2,4-dimethoxyphenyl)-5-(3-ethylindol-1-yl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide"	""	""	"COc1ccc(c(c1)OC)n1c(nnc1n1cc(c2c1cccc2)CC)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1"	"YAWJYESYIAWFJX-URLMMPGGSA-N"	"InChI=1S/C35H37N7O3/c1-4-22-21-41(30-14-8-6-11-26(22)30)35-40-39-33(42(35)31-16-15-24(44-2)19-32(31)45-3)29(38-34(43)28-13-9-17-36-28)18-23-20-37-27-12-7-5-10-25(23)27/h5-8,10-12,14-16,19-21,28-29,36-37H,4,9,13,17-18H2,1-3H3,(H,38,43)/t28-,29+/m0/s1"	""	""	""
"898"	"JMV310"	""	"Peptide"	""	""	""	""	"135652222"	"0"	""	""	""	""	""	""	""	""	""	"JMV 310|JMV-310"	""	""	""	""	""	""
"1569"	"JMV431"	""	"Peptide"	""	""	""	""	"135652223"	"0"	""	""	""	""	""	""	""	""	""	"JMV 431|JMV-431"	""	""	""	""	""	""
"1570"	"JMV449"	""	"Peptide"	""	""	""	""	"135652224"	"164415"	""	""	""	""	""	""	""	"(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2,6-diaminohexyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid"	""	"JMV 449|JMV-449"	"NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C)Cc1ccc(cc1)O)NC[C@H](CCCCN)N"	"TZCYVPLNMOJUIL-GULBXNHPSA-N"	"InChI=1S/C38H66N8O7/c1-5-25(4)33(36(50)44-31(38(52)53)21-24(2)3)45-34(48)30(22-26-14-16-28(47)17-15-26)43-35(49)32-13-10-20-46(32)37(51)29(12-7-9-19-40)42-23-27(41)11-6-8-18-39/h14-17,24-25,27,29-33,42,47H,5-13,18-23,39-41H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)(H,52,53)/t25-,27-,29-,30-,31-,32-,33-/m0/s1"	""	""	""
"1571"	"JMV457"	""	"Peptide"	""	""	""	""	"135652225"	"0"	""	""	""	""	""	""	""	""	""	"<i>tert</i>-butoxy-carbonyl-Arg-Arg-Pro-D-Tyr-Ile-Leu-OH|JMV 457"	""	""	""	""	""	""
"1572"	"JMV458"	""	"Peptide"	""	""	""	""	"135652226"	"5311320"	""	""	""	""	""	""	""	"(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid"	""	"JMV 458|JMV-458"	"CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)CCCN=C(N)N)CCCN=C(N)N)C"	"KOHSYJYVCLITLX-OLPQHFNPSA-N"	"InChI=1S/C45H73N13O9/c1-8-26(4)35(39(62)55-33(41(64)65)22-25(2)3)57-37(60)32(23-27-24-52-29-15-10-9-14-28(27)29)54-38(61)34-18-13-21-58(34)40(63)31(17-12-20-51-43(48)49)53-36(59)30(16-11-19-50-42(46)47)56-44(66)67-45(5,6)7/h9-10,14-15,24-26,30-35,52H,8,11-13,16-23H2,1-7H3,(H,53,59)(H,54,61)(H,55,62)(H,56,66)(H,57,60)(H,64,65)(H4,46,47,50)(H4,48,49,51)/t26-,30-,31-,32-,33-,34-,35-/m0/s1"	""	""	""
"624"	"JMV594"	""	"Peptide"	""	""	""	""	"135652227"	"0"	""	""	""	""	""	""	""	""	""	"[D-Phe<sup>6</sup>,Statine<sup>13</sup>]Bombesin(6-14)|JMV 594"	""	""	""	""	""	""
"3889"	"JMV641"	""	"Peptide"	""	""	""	""	"178100725"	"0"	""	""	""	""	""	""	""	""	""	"JMV 641|JMV-641"	""	""	""	""	""	""
"13126"	"JN122"	""	"Synthetic organic"	""	""	""	""	"491299908"	"169494245"	""	""	""	""	""	""	""	"4-[[(2'R,3S,3'R,5'S)-6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-1'-ethylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl]amino]-3-methoxybenzoic acid"	""	"inhibitor (-)60 [PMID: 38062557]|JN-122"	"CCN1[C@H]([C@@]2(CNC3=C2C=CC(=C3)Cl)[C@H]([C@@H]1C(=O)NC4=C(C=C(C=C4)C(=O)O)OC)C5=CC(=CC=C5)Cl)CC(C)(C)C"	"AJQDQXYTMUFRRF-MKYOLNSUSA-N"	"InChI=1S/C33H37Cl2N3O4/c1-6-38-27(17-32(2,3)4)33(18-36-25-16-22(35)11-12-23(25)33)28(19-8-7-9-21(34)14-19)29(38)30(39)37-24-13-10-20(31(40)41)15-26(24)42-5/h7-16,27-29,36H,6,17-18H2,1-5H3,(H,37,39)(H,40,41)/t27-,28-,29+,33-/m0/s1"	""	""	""
"12986"	"JND3229"	""	"Synthetic organic"	""	""	""	""	"485206107"	"137628688"	""	""	""	""	""	""	""	"N-[4-[3-(2-chlorophenyl)-7-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]cyclohexyl]propanamide"	""	"JND-3229"	"CCC(=O)NC1CCC(CC1)N2C3=NC(=NC=C3CN(C2=O)C4=CC=CC=C4Cl)NC5=CC(=C(C=C5)N6CCN(CC6)C)C"	"WVLWGBZNXIVAKC-UHFFFAOYSA-N"	"InChI=1S/C33H41ClN8O2/c1-4-30(43)36-24-9-12-26(13-10-24)42-31-23(21-41(33(42)44)29-8-6-5-7-27(29)34)20-35-32(38-31)37-25-11-14-28(22(2)19-25)40-17-15-39(3)16-18-40/h5-8,11,14,19-20,24,26H,4,9-10,12-13,15-18,21H2,1-3H3,(H,36,43)(H,35,37,38)"	""	""	""
"1277"	"JNJ-10191584"	""	"Synthetic organic"	""	""	""	""	"135649827"	"10446295"	""	""	"CHEMBL185951"	""	""	""	""	"(6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone"	""	"compound 12|JNJ 10191584|VUF 6002|VUF6002"	"CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl"	"MOIWSUQWIOVGRH-UHFFFAOYSA-N"	"InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)"	"yes"	""	""
"6563"	"JNJ-10311795"	""	"Synthetic organic"	""	""	""	""	"178103177"	"10146470"	""	""	"CHEMBL374027"	""	""	""	""	"[2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid"	""	""	"OP(=O)(C(c1cccc2c1cccc2)C(=O)c1cc2ccccc2cc1C(=O)N(C1CCN(CC1)C(=O)c1ccc2c(c1)cccc2)C)O"	"XUJQPDQURBZEGJ-UHFFFAOYSA-N"	"InChI=1S/C40H35N2O6P/c1-41(32-19-21-42(22-20-32)39(44)31-18-17-26-9-2-3-11-28(26)23-31)40(45)36-25-30-13-5-4-12-29(30)24-35(36)37(43)38(49(46,47)48)34-16-8-14-27-10-6-7-15-33(27)34/h2-18,23-25,32,38H,19-22H2,1H3,(H2,46,47,48)"	"yes"	""	""
"1701"	"JNJ-10397049"	""	"Synthetic organic"	""	""	""	""	"135649646"	"9869934"	""	""	"CHEMBL359632"	""	""	""	""	"3-(2,4-dibromophenyl)-1-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]urea"	""	"compound 9 [PMID: 15261275]|JNJ 10397049|JNJ10397049"	"O=C(Nc1ccc(cc1Br)Br)N[C@H]1COC(O[C@H]1c1ccccc1)(C)C"	"RBKIJGLHFFQHBE-IRXDYDNUSA-N"	"InChI=1S/C19H20Br2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1"	""	""	""
"1385"	"JNJ16259685"	""	"Synthetic organic"	""	""	""	""	"135650879"	"11313361"	""	""	"CHEMBL254574"	""	""	""	""	"3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl-(4-methoxycyclohexyl)methanone"	""	"JNJ-16259685"	"COC1CCC(CC1)C(=O)c1ccc2c(c1)cc1c(n2)OCCC1"	"QOTAQTRFJWLFCR-UHFFFAOYSA-N"	"InChI=1S/C20H23NO3/c1-23-17-7-4-13(5-8-17)19(22)14-6-9-18-16(11-14)12-15-3-2-10-24-20(15)21-18/h6,9,11-13,17H,2-5,7-8,10H2,1H3"	""	""	""
"7442"	"JNJ-16567083"	""	"Synthetic organic"	""	""	""	""	"178104014"	"9948645"	""	""	"CHEMBL188906"	""	""	""	""	"(3-ethyl-2-methylquinolin-6-yl)-(4-methoxycyclohexyl)methanone"	""	""	"CO[C@@H]1CC[C@@H](CC1)C(=O)c1ccc2c(c1)cc(c(n2)C)CC"	"VEURHZYLLRSEGL-RHNCMZPLSA-N"	"InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3/t15-,18+"	""	""	""
"5206"	"JNJ1661010"	""	"Synthetic organic"	""	""	""	""	"178101892"	"2809273"	""	""	"CHEMBL460273"	""	""	""	""	"N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide"	""	"JNJ 1661010|JNJ-1661010"	"O=C(N1CCN(CC1)c1snc(n1)c1ccccc1)Nc1ccccc1"	"BHBOSTKQCZEAJM-UHFFFAOYSA-N"	"InChI=1S/C19H19N5OS/c25-18(20-16-9-5-2-6-10-16)23-11-13-24(14-12-23)19-21-17(22-26-19)15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,25)"	""	""	""
"877"	"JNJ-17156516"	""	"Synthetic organic"	""	""	""	""	"135650445"	"11488979"	""	""	"CHEMBL400111"	""	""	""	""	"(2S)-3-[5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid"	""	"JNJ 17156516"	"COc1ccc(cc1)n1nc(cc1c1ccc(c(c1)Cl)Cl)C[C@@H](c1cccc(c1)C)C(=O)O"	"UZCIUKFEIOCAOC-QFIPXVFZSA-N"	"InChI=1S/C26H22Cl2N2O3/c1-16-4-3-5-17(12-16)22(26(31)32)14-19-15-25(18-6-11-23(27)24(28)13-18)30(29-19)20-7-9-21(33-2)10-8-20/h3-13,15,22H,14H2,1-2H3,(H,31,32)/t22-/m0/s1"	""	""	""
"4228"	"JNJ17203212"	""	"Synthetic organic"	""	""	""	""	"178101045"	"11339118"	""	""	"CHEMBL254778"	""	""	""	""	"4-[3-(trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide"	""	"compound 41 [PMID: 15771431]|JNJ-17203212"	"O=C(N1CCN(CC1)c1ncccc1C(F)(F)F)Nc1ccc(cn1)C(F)(F)F"	"JFRYYGVYCWYIDQ-UHFFFAOYSA-N"	"InChI=1S/C17H15F6N5O/c18-16(19,20)11-3-4-13(25-10-11)26-15(29)28-8-6-27(7-9-28)14-12(17(21,22)23)2-1-5-24-14/h1-5,10H,6-9H2,(H,25,26,29)"	""	""	""
"8432"	"JNJ-18038683"	""	"Synthetic organic"	""	""	""	""	"252166642"	"11151899"	""	""	""	""	""	""	""	"3-(4-chlorophenyl)-1-(phenylmethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-d]azepine"	""	"JNJ 18038683"	"Clc1ccc(cc1)c1nn(c2c1CCNCC2)Cc1ccccc1"	"UKJPMZGILXATGT-UHFFFAOYSA-N"	"InChI=1S/C20H20ClN3/c21-17-8-6-16(7-9-17)20-18-10-12-22-13-11-19(18)24(23-20)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2"	""	""	""
"3966"	"JNJ1930942"	""	"Synthetic organic"	""	""	""	""	"178100792"	"44240744"	""	""	"CHEMBL270479"	""	""	""	""	"(2-{[4-fluoro-3-(trifluoromethyl)phenyl]amino}-4-(pyridin-4-yl)-1,3-thiazol-5-yl)methanol"	""	"JNJ-1930942"	"OCc1sc(nc1c1ccncc1)Nc1ccc(c(c1)C(F)(F)F)F"	"JBSVHWCIKVSTTH-UHFFFAOYSA-N"	"InChI=1S/C16H11F4N3OS/c17-12-2-1-10(7-11(12)16(18,19)20)22-15-23-14(13(8-24)25-15)9-3-5-21-6-4-9/h1-7,24H,8H2,(H,22,23)"	""	""	""
"6665"	"JNJ-26070109"	""	"Synthetic organic"	""	""	""	""	"178103277"	"11307323"	""	""	""	""	""	""	""	"4-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide"	""	"JNJ26070109"	"Brc1ccc(c(c1)NS(=O)(=O)c1cccc2c1nccn2)C(=O)N[C@@H](c1ccc(cc1F)F)C"	"TZKCPFFVWLRNRZ-CYBMUJFWSA-N"	"InChI=1S/C23H17BrF2N4O3S/c1-13(16-8-6-15(25)12-18(16)26)29-23(31)17-7-5-14(24)11-20(17)30-34(32,33)21-4-2-3-19-22(21)28-10-9-27-19/h2-13,30H,1H3,(H,29,31)/t13-/m1/s1"	""	""	""
"10586"	"JNJ-27141491"	""	"Synthetic organic"	""	""	""	""	"404859033"	"11617815"	""	""	""	""	""	""	""	"methyl 3-[(1R)-1-(3,4-difluorophenyl)propyl]-5-(1,2-oxazol-5-yl)-2-sulfanylidene-1H-imidazole-4-carboxylate"	""	"JNJ27141491"	"CC[C@@H](n1c(=S)[nH]c(c1C(=O)OC)c1ccno1)c1ccc(c(c1)F)F"	"SYARXICKXVXWNA-GFCCVEGCSA-N"	"InChI=1S/C17H15F2N3O3S/c1-3-12(9-4-5-10(18)11(19)8-9)22-15(16(23)24-2)14(21-17(22)26)13-6-7-20-25-13/h4-8,12H,3H2,1-2H3,(H,21,26)/t12-/m1/s1"	"yes"	""	""
"5689"	"JNJ-28312141"	""	"Synthetic organic"	""	""	""	""	"178102316"	"11676971"	""	""	"CHEMBL1908842"	""	""	""	""	"4-cyano-N-[2-(cyclohex-1-en-1-yl)-4-{1-[2-(dimethylamino)acetyl]piperidin-4-yl}phenyl]-1H-imidazole-2-carboxamide"	""	"JNJ 28312141"	"N#Cc1c[nH]c(n1)C(=O)Nc1ccc(cc1C1=CCCCC1)C1CCN(CC1)C(=O)CN(C)C"	"GUBJNPWVIUFSTR-UHFFFAOYSA-N"	"InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34)"	""	""	""
"11477"	"JNJ303"	""	"Synthetic organic"	""	""	""	""	"440816845"	"73016713"	""	""	""	""	""	""	""	"2-(4-chlorophenoxy)-N-[5-(methanesulfonamido)-2-adamantyl]-2-methylpropanamide"	""	"JNJ 303|JNJ-303"	"Clc1ccc(cc1)OC(C(=O)N[C@@H]1C2CC3CC1C[C@](C2)(C3)NS(=O)(=O)C)(C)C"	"OSGIRCJRKSAODN-YLGPJNIESA-N"	"InChI=1S/C21H29ClN2O4S/c1-20(2,28-17-6-4-16(22)5-7-17)19(25)23-18-14-8-13-9-15(18)12-21(10-13,11-14)24-29(3,26)27/h4-7,13-15,18,24H,8-12H2,1-3H3,(H,23,25)/t13?,14?,15?,18-,21-"	""	""	""
"14136"	"JNJ-37822681"	""	"Synthetic organic"	""	""	""	""	"518520763"	"16058752"	""	""	"CHEMBL3234237"	""	""	""	""	"N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine"	""	"JNJ37822681"	"C1CN(CCC1NC2=NN=C(C=C2)C(F)(F)F)CC3=CC(=C(C=C3)F)F"	"UVUYWJWYRLJHEN-UHFFFAOYSA-N"	"InChI=1S/C17H17F5N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25)"	""	""	""
"5727"	"JNJ-38431055"	""	"Synthetic organic"	""	""	""	""	"178102353"	"11691484"	""	""	"CHEMBL1951032"	""	""	""	""	"propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-methylsulfonylpyridin-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate"	""	"APD597|JNJ38431055"	"COc1c(ncnc1Nc1ccc(nc1C)S(=O)(=O)C)OC1CCN(CC1)C(=O)OC(C)C"	"WPDCHTSXOPUOII-UHFFFAOYSA-N"	"InChI=1S/C21H29N5O6S/c1-13(2)31-21(27)26-10-8-15(9-11-26)32-20-18(30-4)19(22-12-23-20)25-16-6-7-17(24-14(16)3)33(5,28)29/h6-7,12-13,15H,8-11H2,1-5H3,(H,22,23,25)"	""	""	""
"14649"	"JNJ-38877605-d1"	""	"Synthetic organic"	""	""	""	""	"530846897"	"130438359"	""	""	"CHEMBL5275126"	""	""	""	""	"2-deuterio-6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline"	""	"compound 3 [PMID: 30284817]|d1-JNJ38877605|DO-2"	"FC(C=1C=C2C=CC(=NC2=CC1)[2H])(C3=NN=C4N3N=C(C=C4)C=5C=NN(C5)C)F"	"JRWCBEOAFGHNNU-BNEYPBHNSA-N"	"InChI=1S/C19H13F2N7/c1-27-11-13(10-23-27)16-6-7-17-24-25-18(28(17)26-16)19(20,21)14-4-5-15-12(9-14)3-2-8-22-15/h2-11H,1H3/i8D"	""	""	""
"9437"	"JNJ-39319202"	""	"Synthetic organic"	""	""	""	""	"329968377"	"25126427"	""	""	""	""	""	""	""	"N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]thiophene-2-sulfonamide"	""	"compound 7a [PMID: 19731961]"	"CCN1CCN(CC1)c1cccc2c1CN(C2=O)[C@@H](c1ccc(c(c1)OC)OC)CCCNS(=O)(=O)c1cccs1"	"MWCLCGKVMLYVJI-RUZDIDTESA-N"	"InChI=1S/C30H38N4O5S2/c1-4-32-15-17-33(18-16-32)26-9-5-8-23-24(26)21-34(30(23)35)25(22-12-13-27(38-2)28(20-22)39-3)10-6-14-31-41(36,37)29-11-7-19-40-29/h5,7-9,11-13,19-20,25,31H,4,6,10,14-18,21H2,1-3H3/t25-/m1/s1"	""	""	""
"8984"	"JNJ-39758979"	""	"Synthetic organic"	""	""	""	""	"310264764"	"24994634"	""	""	"CHEMBL3236549"	""	""	""	""	"4-[(3R)-3-aminopyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine"	""	"JNJ 39758979|JNJ39758979"	"N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C"	"COOGVHJHSCBOQT-MRVPVSSYSA-N"	"InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1"	"yes"	""	""
"6330"	"JNJ-40068782"	""	"Synthetic organic"	""	""	""	""	"178102948"	"59234231"	""	""	""	""	""	""	""	"1-(cyclopropylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)-1,2-dihydropyridine-3-carbonitrile"	""	""	"N#Cc1c(ccn(c1=O)CC1CC1)N1CCC(CC1)c1ccccc1"	"RVRHQHDKALSKLY-UHFFFAOYSA-N"	"InChI=1S/C21H23N3O/c22-14-19-20(10-13-24(21(19)25)15-16-6-7-16)23-11-8-18(9-12-23)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,15H2"	""	""	""
"9050"	"JNJ40355003"	""	"Synthetic organic"	""	""	""	""	"315661135"	"46863664"	""	""	"CHEMBL2164602"	""	""	""	""	"4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide"	""	"compound 23 [PMID: 24900385]|JNJ-40355003"	"Clc1ccc(cc1)Oc1cccc(c1)CN1CCN(CC1)C(=O)Nc1cccnc1"	"CTYVKSQPMCSUOR-UHFFFAOYSA-N"	"InChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)"	""	""	""
"8946"	"JNJ-40411813"	""	"Synthetic organic"	""	""	""	""	"310264727"	"25195461"	""	""	""	""	""	""	""	"1-butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-2(1H)-pyridinone"	""	"ADX-71149|ADX71149|JNJ 40411813|JNJ40411813"	"CCCCn1ccc(c(c1=O)Cl)N1CCC(CC1)c1ccccc1"	"HYOGJHCDLQSAHX-UHFFFAOYSA-N"	"InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3"	""	""	""
"6317"	"JNJ-42153605"	""	"Synthetic organic"	""	""	""	""	"178102935"	"49765871"	""	""	"CHEMBL2179319"	""	""	""	""	"1-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-phenylpiperidine"	""	"JNJ 42153605"	"FC(c1c(ccn2c1nnc2CC1CC1)N1CCC(CC1)c1ccccc1)(F)F"	"BQAVZGJJQFJSMW-UHFFFAOYSA-N"	"InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2"	""	""	""
"9012"	"JNJ-42165279"	""	"Synthetic organic"	""	""	""	""	"310264790"	"54576693"	""	""	""	""	""	""	""	"N-(4-chloropyridin-3-yl)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine-1-carboxamide"	""	"Example 1 [WO2011139951 A1]|JNJ42165279"	"O=C(N1CCN(CC1)Cc1ccc2c(c1)OC(O2)(F)F)Nc1cnccc1Cl"	"YWGYNGCRVZLMCS-UHFFFAOYSA-N"	"InChI=1S/C18H17ClF2N4O3/c19-13-3-4-22-10-14(13)23-17(26)25-7-5-24(6-8-25)11-12-1-2-15-16(9-12)28-18(20,21)27-15/h1-4,9-10H,5-8,11H2,(H,23,26)"	""	""	""
"10661"	"JNJ-42226314"	""	"Synthetic organic"	""	""	""	""	"404859108"	"59625954"	""	""	""	""	""	""	""	"[1-(4-fluorophenyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone"	""	"JNJ 42226314|JNJ42226314"	"Fc1ccc(cc1)n1ccc2c1ccc(c2)C(=O)N1CC(C1)N1CCN(CC1)C(=O)c1nccs1"	"IVOACCSOISMVBL-UHFFFAOYSA-N"	"InChI=1S/C26H24FN5O2S/c27-20-2-4-21(5-3-20)32-9-7-18-15-19(1-6-23(18)32)25(33)31-16-22(17-31)29-10-12-30(13-11-29)26(34)24-28-8-14-35-24/h1-9,14-15,22H,10-13,16-17H2"	""	""	""
"8947"	"JNJ-46281222"	""	"Synthetic organic"	""	""	""	""	"310264728"	"49822115"	""	""	""	""	""	""	""	"3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine"	""	""	"FC(c1c(ccn2c1nnc2CC1CC1)CN1CCC(CC1)c1ccccc1)(F)F"	"LYDKDODJIBQNLK-UHFFFAOYSA-N"	"InChI=1S/C23H25F3N4/c24-23(25,26)21-19(10-13-30-20(14-16-6-7-16)27-28-22(21)30)15-29-11-8-18(9-12-29)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,14-15H2"	""	""	""
"7538"	"JNJ-47965567"	""	"Synthetic organic"	""	""	""	""	"187051839"	"66553218"	""	""	"CHEMBL2338352"	""	""	""	""	"N-[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl]-2-phenylsulfanylpyridine-3-carboxamide"	""	"JNJ-479655|JNJ47965567"	"O=C(c1cccnc1Sc1ccccc1)NCC1(CCOCC1)N1CCN(CC1)c1ccccc1"	"XREFXUCWSYMIOG-UHFFFAOYSA-N"	"InChI=1S/C28H32N4O2S/c33-26(25-12-7-15-29-27(25)35-24-10-5-2-6-11-24)30-22-28(13-20-34-21-14-28)32-18-16-31(17-19-32)23-8-3-1-4-9-23/h1-12,15H,13-14,16-22H2,(H,30,33)"	""	""	""
"3504"	"JNJ-5207787"	""	"Synthetic organic"	""	""	""	""	"178100491"	"10324083"	""	""	"CHEMBL21283"	""	""	""	""	"(E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(3-cyanophenyl)-N-[1-(2-cyclopentylethyl)piperidin-4-yl]prop-2-enamide"	""	"JNJ5207787"	"N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1"	"DSEJCLDJIFTPPH-FMIVXFBMSA-N"	"InChI=1S/C32H38N4O2/c1-24(37)35-20-14-28-10-11-30(22-31(28)35)36(32(38)12-9-26-7-4-8-27(21-26)23-33)29-15-18-34(19-16-29)17-13-25-5-2-3-6-25/h4,7-12,21-22,25,29H,2-3,5-6,13-20H2,1H3/b12-9+"	""	""	""
"1256"	"JNJ-5207852"	""	"Synthetic organic"	""	""	""	""	"135649651"	"2766326"	""	""	"CHEMBL129542"	""	""	""	""	"1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine"	""	"JNJ 5207852"	"C1CCN(CC1)CCCOc1ccc(cc1)CN1CCCCC1"	"PTKHFRNHJULJKT-UHFFFAOYSA-N"	"InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2"	""	""	""
"12508"	"JNJ-54717793"	""	"Synthetic organic"	""	""	""	""	"479821298"	"90412187"	""	""	""	""	""	""	""	"(3-fluoro-2-pyrimidin-2-ylphenyl)-[(1S,2R,4R)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone"	""	"JNJ54717793"	"C1C[C@H]2[C@@H](C[C@@H]1N2C(=O)C3=C(C(=CC=C3)F)C4=NC=CC=N4)NC5=NC=C(N=C5)C(F)(F)F"	"NWUAUSABGZEYEW-WQVCFCJDSA-N"	"InChI=1S/C22H18F4N6O/c23-14-4-1-3-13(19(14)20-27-7-2-8-28-20)21(33)32-12-5-6-16(32)15(9-12)31-18-11-29-17(10-30-18)22(24,25)26/h1-4,7-8,10-12,15-16H,5-6,9H2,(H,30,31)/t12-,15-,16+/m1/s1"	""	""	""
"13345"	"JNJ-6204"	""	"Synthetic organic"	""	""	""	""	"496703315"	"162760083"	""	""	"CHEMBL5081774"	""	""	""	""	"2-(5-fluoropyridin-2-yl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,6-bis(trideuteriomethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine"	""	"compound 21 [PMID: 38628796]|JNJ-78386204"	"[2H]C([2H])([2H])C1(CN2N=C(C(=C2CO1)C3=CC=NC4=C3C=NN4)C5=NC=C(F)C=C5)C([2H])([2H])[2H]"	"WZMIWVZGYMKUDV-WFGJKAKNSA-N"	"InChI=1S/C19H17FN6O/c1-19(2)10-26-15(9-27-19)16(12-5-6-21-18-13(12)8-23-24-18)17(25-26)14-4-3-11(20)7-22-14/h3-8H,9-10H2,1-2H3,(H,21,23,24)/i1D3,2D3"	""	""	""
"8766"	"JNJ-63533054"	""	"Synthetic organic"	""	""	""	""	"252827424"	"2548547"	""	""	"CHEMBL3633720"	""	""	""	""	"3-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide"	""	"compound 7c [PMID: 26396690]|JNJ63533054"	"O=C(N[C@H](c1ccccc1)C)CNC(=O)c1cccc(c1)Cl"	"MWDVCHRYCKXEBY-LBPRGKRZSA-N"	"InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1"	""	""	""
"12709"	"JNJ-63576253"	""	"Synthetic organic"	""	""	""	""	"483123257"	"130229812"	""	""	"CHEMBL4858811"	""	""	""	""	"5-[8-oxo-5-(6-piperidin-4-yloxypyridin-3-yl)-6-sulfanylidene-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile"	""	"compound 5 [PMID: 33470111]|JNJ63576253|TRC-253|TRC253"	"N#CC1=C(C=C(N2C(C3(CCC3)N(C4=CN=C(OC5CCNCC5)C=C4)C2=S)=O)C=N1)C(F)(F)F"	"OUEHJEYKNYQVRC-UHFFFAOYSA-N"	"InChI=1S/C23H21F3N6O2S/c24-23(25,26)17-10-15(13-29-18(17)11-27)31-20(33)22(6-1-7-22)32(21(31)35)14-2-3-19(30-12-14)34-16-4-8-28-9-5-16/h2-3,10,12-13,16,28H,1,4-9H2"	""	""	""
"12239"	"JNJ-64264681"	""	"Synthetic organic"	""	""	""	""	"473153827"	"129234005"	""	""	""	""	""	""	""	""	""	"compound 13 [PMID: 36314537]|JNJ64264681"	"C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3c2c1[nH]c(=O)n3c1cnc(cc1C)CC(C)C"	"OPLNLPWGEZNZFL-ZWKOTPCHSA-N"	"InChI=1S/C27H30N6O3S/c1-5-21(34)30-17-7-6-8-18(17)31-25(35)24-23-22-19(9-10-28-26(22)37-24)33(27(36)32-23)20-13-29-16(11-14(2)3)12-15(20)4/h5,9-10,12-14,17-18H,1,6-8,11H2,2-4H3,(H,30,34)(H,31,35)(H,32,36)/t17-,18+/m0/s1"	""	""	""
"12414"	"JNJ-65234637"	""	"Synthetic organic"	""	""	""	""	"479821205"	"156087292"	""	""	""	""	""	""	""	""	""	"compound 58 [PMID: 36793435]|JNJ65234637|OICR-12694|OICR12694"	"ClC=1C(=NC(=CC1NC(CN2C=C(C3=C2N=C4N(C3=O)CCC4)C=5C(=C(C(=C(C(=O)N)C5)O)F)F)=O)N6[C@H](CN(CC6)C)C)F"	"LGAFZGSECXDYIR-ZDUSSCGKSA-N"	"InChI=1S/C29H28ClF3N8O4/c1-13-10-38(2)6-7-40(13)19-9-17(22(30)26(33)36-19)35-20(42)12-39-11-16(14-8-15(27(34)44)25(43)24(32)23(14)31)21-28(39)37-18-4-3-5-41(18)29(21)45/h8-9,11,13,43H,3-7,10,12H2,1-2H3,(H2,34,44)(H,35,36,42)/t13-/m0/s1"	""	""	""
"13971"	"JNJ-6640"	""	"Synthetic organic"	""	""	""	""	"518520598"	"176516507"	""	""	""	""	""	""	""	"5-fluoro-4-[(3-methyl-1H-pyrazol-5-yl)oxy]-2-[(3S)-3-(pyridin-4-yl)pyrrolidin-1-yl]pyrimidine"	""	""	"CC1=NNC(OC2=NC(=NC=C2F)N3CC[C@H](C3)C4=CC=NC=C4)=C1"	"HOKZRBANYAPIKU-CYBMUJFWSA-N"	"InChI=1S/C17H17FN6O/c1-11-8-15(23-22-11)25-16-14(18)9-20-17(21-16)24-7-4-13(10-24)12-2-5-19-6-3-12/h2-3,5-6,8-9,13H,4,7,10H2,1H3,(H,22,23)/t13-/m1/s1"	""	""	"yes"
"11751"	"JNJ-67569762"	""	"Synthetic organic"	""	""	""	""	"458923786"	"156612914"	""	""	""	""	""	""	""	"N-[3-[(2S,5R)-6-amino-5-ethylsulfonyl-2-(fluoromethyl)-5-methyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide"	""	"compound 12 [PMID: 34553934]|JNJ67569762"	"CCS(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(ccc1F)NC(=O)c1cc2OC(F)(F)Oc2cn1"	"NDIQAOIHFVWZJQ-NHCUHLMSSA-N"	"InChI=1S/C22H22F4N4O5S/c1-3-36(32,33)20(2)6-7-21(11-23,30-19(20)27)13-8-12(4-5-14(13)24)29-18(31)15-9-16-17(10-28-15)35-22(25,26)34-16/h4-5,8-10H,3,6-7,11H2,1-2H3,(H2,27,30)(H,29,31)/t20-,21-/m1/s1"	""	""	""
"11507"	"JNJ-67856633"	""	"Synthetic organic"	""	""	""	""	"441604879"	"155925839"	""	""	""	""	""	""	""	"5-[4-(1-aminoethenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,2-dihydroisoquinolin-1-one"	""	"example 158 [WO2018119036]|JNJ67856633"	"NC(=C)c1cnn(c1C(F)(F)F)c1cccc2c1cc[nH]c2=O"	"JPUXFKNCQZIRSR-UHFFFAOYSA-N"	"InChI=1S/C15H11F3N4O/c1-8(19)11-7-21-22(13(11)15(16,17)18)12-4-2-3-10-9(12)5-6-20-14(10)23/h2-7H,1,19H2,(H,20,23)"	""	""	""
"11473"	"JNJ-67869386"	""	"Synthetic organic"	""	""	""	""	"440816841"	"155817525"	""	""	""	""	""	""	""	"4-fluoro-6-{[1-(5-fluoro-2-methylpyridin-4-yl)azetidin-3-yl]oxy}-1H-indazol-3-amine"	""	""	"Cc1ncc(c(c1)N1CC(C1)Oc1cc(F)c2c(c1)[nH]nc2N)F"	"YINCAUPIZHIQGR-UHFFFAOYSA-N"	"InChI=1S/C16H15F2N5O/c1-8-2-14(12(18)5-20-8)23-6-10(7-23)24-9-3-11(17)15-13(4-9)21-22-16(15)19/h2-5,10H,6-7H2,1H3,(H3,19,21,22)"	""	""	""
"5932"	"JNJ-7706621"	""	"Synthetic organic"	""	""	""	""	"178102555"	"5330790"	""	""	"CHEMBL191003"	""	""	""	""	"4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide"	""	"aurora kinase/Cdk inhibitor|JNJ7706621"	"Fc1cccc(c1C(=O)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N)F"	"KDKUVYLMPJIGKA-UHFFFAOYSA-N"	"InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)"	""	""	""
"1278"	"JNJ 7777120"	""	"Synthetic organic"	""	""	""	""	"135650446"	"4908365"	""	""	"CHEMBL129198"	""	""	""	""	"(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone"	""	"JNJ-7777120"	"CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl"	"HUQJRYMLJBBEDO-UHFFFAOYSA-N"	"InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3"	""	""	""
"11472"	"JNJ-799760"	""	"Synthetic organic"	""	""	""	""	"440816840"	"155289267"	""	""	""	""	""	""	""	"2-[4-(3,4-dimethoxyphenoxy)phenyl]-3H-benzimidazole-5-carboximidamide"	""	""	"COc1ccc(cc1OC)Oc1ccc(cc1)c1[nH]c2c(n1)cc(cc2)C(=N)N"	"QMVSFWHTZQVRCC-UHFFFAOYSA-N"	"InChI=1S/C22H20N4O3/c1-27-19-10-8-16(12-20(19)28-2)29-15-6-3-13(4-7-15)22-25-17-9-5-14(21(23)24)11-18(17)26-22/h3-12H,1-2H3,(H3,23,24)(H,25,26)"	""	""	""
"13827"	"JNJ-9676"	""	"Synthetic organic"	""	""	""	""	"507750460"	"170713044"	""	""	""	""	""	""	""	"(6S)-N-(3-cyanophenyl)-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide"	""	"JNJ9676"	"C[C@H]1CN2N=CC(C(=O)NC3=CC(=CC=C3)C#N)=C2C(=O)N1C4=CC=C(C=C4)C(F)(F)C5=CC=CC=C5"	"XXXBMVUCPXBZMT-SFHVURJKSA-N"	"InChI=1S/C28H21F2N5O2/c1-18-17-34-25(24(16-32-34)26(36)33-22-9-5-6-19(14-22)15-31)27(37)35(18)23-12-10-21(11-13-23)28(29,30)20-7-3-2-4-8-20/h2-14,16,18H,17H2,1H3,(H,33,36)/t18-/m0/s1"	""	""	""
"8058"	"JNK-IN-8"	""	"Synthetic organic"	""	""	""	""	"249565738"	"57340686"	""	""	"CHEMBL2216824"	""	""	""	""	"3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide"	""	""	"CN(C/C=C/C(=O)Nc1cccc(c1)C(=O)Nc1ccc(c(c1)C)Nc1nccc(n1)c1cccnc1)C"	"GJFCSAPFHAXMSF-UXBLZVDNSA-N"	"InChI=1S/C29H29N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-15,17-19H,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b10-6+"	""	""	""
"9377"	"JNK inhibitor 9l"	""	"Synthetic organic"	""	""	""	""	"328083479"	"25222038"	""	""	"CHEMBL585951"	""	""	""	""	"4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine"	""	"JNK-9L"	"Fc1cc(cc(c1)c1ccnc(n1)Nc1ccc(cc1)n1cnc(n1)N1CCOCC1)N1CCOCC1"	"AHMHIFXJPSHHPH-UHFFFAOYSA-N"	"InChI=1S/C26H27FN8O2/c27-20-15-19(16-23(17-20)33-7-11-36-12-8-33)24-5-6-28-25(31-24)30-21-1-3-22(4-2-21)35-18-29-26(32-35)34-9-13-37-14-10-34/h1-6,15-18H,7-14H2,(H,28,30,31)"	""	""	""
"5996"	"JNK inhibitor IX"	""	"Synthetic organic"	""	""	""	""	"178102618"	"766949"	""	""	"CHEMBL233001"	""	""	""	""	"N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamide"	""	"AC1LG8KT|BAS 01816608|TCS JNK 5a"	"N#Cc1c(sc2c1CCCC2)NC(=O)c1cccc2c1cccc2"	"WQGDQGAFSDMBLA-UHFFFAOYSA-N"	"InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)"	"yes"	""	""
"5999"	"JNK inhibitor, negative control"	""	"Synthetic organic"	""	""	""	""	"178102621"	"11665831"	""	""	"CHEMBL1802485"	""	""	""	""	"14-methyl-14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one"	""	"N1-Methyl-1,9-pyrazoloanthrone"	"O=c1c2ccccc2c2c3c1cccc3n(n2)C"	"ODZGYELAMAOARP-UHFFFAOYSA-N"	"InChI=1S/C15H10N2O/c1-17-12-8-4-7-11-13(12)14(16-17)9-5-2-3-6-10(9)15(11)18/h2-8H,1H3"	""	""	""
"5997"	"JNK inhibitor V"	""	"Synthetic organic"	""	""	""	""	"178102619"	"11422035"	""	""	"CHEMBL191384"	""	""	""	""	"2-[(2Z)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-(2-{[2-(pyridin-3-yl)ethyl]amino}pyrimidin-4-yl)acetonitrile"	""	"AS-601245|AS601245|SAPK inhibitor V"	"N#C/C(=c/1\sc2c([nH]1)cccc2)/c1ccnc(n1)NCCc1cccnc1"	"AVLYNJZZQYEFEA-XDJHFCHBSA-N"	"InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,25H,7,10H2,(H,23,24,26)/b19-15+"	""	""	""
"5998"	"JNK inhibitor VIII"	""	"Synthetic organic"	""	""	""	""	"178102620"	"11624601"	""	""	"CHEMBL210618"	""	""	""	""	"N-(4-amino-5-cyano-6-ethoxypyridin-2-yl)-2-(2,5-dimethoxyphenyl)acetamide"	""	"aminopyridine deriv. 2"	"CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(c1C#N)N"	"KQMPRSZTUSSXND-UHFFFAOYSA-N"	"InChI=1S/C18H20N4O4/c1-4-26-18-13(10-19)14(20)9-16(22-18)21-17(23)8-11-7-12(24-2)5-6-15(11)25-3/h5-7,9H,4,8H2,1-3H3,(H3,20,21,22,23)"	""	""	""
"13405"	"jobosic acid"	""	"Natural product"	""	""	""	""	"496703375"	"10220741"	""	""	""	""	""	""	""	"2,5-dimethyltetradecanoic acid"	""	"compound 1 [PMID: 38781491]"	"CC(C(=O)O)CCC(CCCCCCCCC)C"	"ILOORJBAWCAGSO-UHFFFAOYSA-N"	"InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-14(2)12-13-15(3)16(17)18/h14-15H,4-13H2,1-3H3,(H,17,18)"	""	""	""
"4229"	"joro spider toxin"	""	"Natural product"	""	""	""	""	"178101046"	"119582"	""	""	"CHEMBL313747"	""	""	""	""	"(2S)-N-{5-[3-({4-[(3-aminopropyl)amino]butyl}amino)propanamido]pentyl}-2-[2-(2,4-dihydroxyphenyl)acetamido]butanediamide"	""	""	"NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(cc1O)O)CC(=O)N"	"SJLRBGDPTALRDM-QFIPXVFZSA-N"	"InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1"	""	""	""
"12924"	"josamycin"	""	"Natural product"	"yes"	""	""	""	"485206045"	"5282165"	""	""	"CHEMBL224436"	""	""	""	""	"[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-dimethylamino-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate"	"josamycin"	"kitasamycin A3|leucomycin A3|turimycin A5"	"C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O"	"XJSFLOJWULLJQS-NGVXBBESSA-N"	"InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1"	""	""	"yes"
"3930"	"JP1302"	""	"Synthetic organic"	""	""	""	""	"178100759"	"540335"	""	""	"CHEMBL106525"	""	""	""	""	"N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine"	""	"JP-1302|MMV006172"	"CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2"	"QZKGUNQLVFEEBA-UHFFFAOYSA-N"	"InChI=1S/C24H24N4/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24/h2-13H,14-17H2,1H3,(H,25,26)"	""	""	""
"10395"	"JPC-3210"	""	"Synthetic organic"	""	""	""	""	"384403674"	"90122671"	""	""	""	""	""	""	""	"4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-fluoro-6-(trifluoromethyl)pyridin-3-yl]phenol"	""	"MMV646|MMV892646"	"Oc1c(CNC(C)(C)C)cc(cc1c1cnc(c(c1)F)C(F)(F)F)C(C)(C)C"	"DYULPLHABFGTOQ-UHFFFAOYSA-N"	"InChI=1S/C21H26F4N2O/c1-19(2,3)14-7-13(11-27-20(4,5)6)17(28)15(9-14)12-8-16(22)18(26-10-12)21(23,24)25/h7-10,27-28H,11H2,1-6H3"	""	"yes"	""
"5763"	"JPE1375"	""	"Peptide"	""	""	""	""	"178102388"	"0"	""	""	""	""	""	""	""	""	""	"JPE 1375"	""	""	""	""	""	""
"14180"	"JPIII"	""	"Synthetic organic"	""	""	""	""	"518520807"	"176516534"	""	""	""	""	""	""	""	"4-(2,5-dimethoxyphenyl)-N-[(pyridin-4-yl)methyl]aniline"	""	""	"COC1=C(C=C(C=C1)OC)C2=CC=C(NCC3=CC=NC=C3)C=C2"	"GJTAZMAAAURKMO-UHFFFAOYSA-N"	"InChI=1S/C20H20N2O2/c1-23-18-7-8-20(24-2)19(13-18)16-3-5-17(6-4-16)22-14-15-9-11-21-12-10-15/h3-13,22H,14H2,1-2H3"	""	""	""
"7511"	"(+)-JQ1"	""	"Synthetic organic"	""	""	""	""	"187051813"	"46907787"	""	""	"CHEMBL1957266"	""	""	""	""	""	""	""	"O=C(OC(C)(C)C)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C"	"DNVXATUJJDPFDM-KRWDZBQOSA-N"	"InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1"	""	""	""
"9332"	"JQEZ5"	""	"Synthetic organic"	""	""	""	""	"318164851"	"121322599"	""	""	""	""	""	""	""	"N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide"	""	"EZ-005|JQ5|JQE5"	"CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(nc2c1cnn2C(C)C)c1ccc(nc1)N1CCN(CC1)C"	"LQTWDAYNGMMHLV-UHFFFAOYSA-N"	"InChI=1S/C30H38N8O2/c1-6-7-21-14-20(4)34-30(40)24(21)17-32-29(39)23-15-26(35-28-25(23)18-33-38(28)19(2)3)22-8-9-27(31-16-22)37-12-10-36(5)11-13-37/h8-9,14-16,18-19H,6-7,10-13,17H2,1-5H3,(H,32,39)(H,34,40)"	""	""	""
"10595"	"JR14a"	""	"Synthetic organic"	""	""	""	""	"404859042"	"145996525"	""	""	""	""	""	""	""	"5-(Bis(4-chlorophenyl)methyl)-3-methylthiophene-2-carbonyl)-l-arginine hydrochloride"	""	""	"O=C(c1sc(cc1C)C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)N[C@H](C(=O)O)CCCNC(=N)N"	"OHRIKWUZKGNQKQ-IBGZPJMESA-N"	"InChI=1S/C25H26Cl2N4O3S/c1-14-13-20(21(15-4-8-17(26)9-5-15)16-6-10-18(27)11-7-16)35-22(14)23(32)31-19(24(33)34)3-2-12-30-25(28)29/h4-11,13,19,21H,2-3,12H2,1H3,(H,31,32)(H,33,34)(H4,28,29,30)/t19-/m0/s1"	"yes"	""	""
"13585"	"JSF-3285"	""	"Synthetic organic"	""	""	""	""	"504705404"	"137523337"	""	""	"CHEMBL5181555"	""	""	""	""	"4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide"	""	""	"CC1=C2C=C(C=CC2=NN1)NS(=O)(=O)CCCCF"	"AHVAAGWAEHSRBU-UHFFFAOYSA-N"	"InChI=1S/C12H16FN3O2S/c1-9-11-8-10(4-5-12(11)15-14-9)16-19(17,18)7-3-2-6-13/h4-5,8,16H,2-3,6-7H2,1H3,(H,14,15)"	""	""	"yes"
"10275"	"JT010"	""	"Synthetic organic"	""	""	""	""	"381744956"	"18524489"	""	""	""	""	""	""	""	""	""	"JT-010|molecule 1 [PMID: 26630251]"	"COCCCN(c1scc(n1)c1ccc(cc1)OC)C(=O)CCl"	"KZMAWJRXKGLWGS-UHFFFAOYSA-N"	"InChI=1S/C16H19ClN2O3S/c1-21-9-3-8-19(15(20)10-17)16-18-14(11-23-16)12-4-6-13(22-2)7-5-12/h4-7,11H,3,8-10H2,1-2H3"	""	""	""
"1692"	"JTC-801"	""	"Synthetic organic"	""	""	""	""	"135650447"	"5311340"	""	""	"CHEMBL140979"	""	""	""	""	"N-(4-amino-2-methylquinolin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide"	""	""	"CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C"	"VTGBZWHPJFMTKS-UHFFFAOYSA-N"	"InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)"	""	""	""
"2917"	"JTE-013"	""	"Synthetic organic"	""	""	""	""	"135650448"	"10223146"	""	""	"CHEMBL1368758"	""	""	""	""	"3-(2,6-dichloropyridin-4-yl)-1-[(1,3-dimethyl-4-propan-2-ylpyrazolo[4,5-e]pyridin-6-yl)amino]urea"	""	"JTE 013|JTE013|pyrazolopyridine analog"	"O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C"	"RNSLRQNDXRSASX-UHFFFAOYSA-N"	"InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27)"	""	""	""
"11364"	"JTV-803"	""	"Synthetic organic"	""	""	""	""	"440816733"	"9844392"	""	""	"CHEMBL1182177"	""	""	""	""	"4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-pyridin-4-ylpiperidine-4-carboxylic acid"	""	"JTV803"	"NC(=N)N1CCc2c(C1)cc(cc2)OCC1(CCN(CC1)c1ccncc1)C(=O)O"	"MISBTXJXWSXZBF-UHFFFAOYSA-N"	"InChI=1S/C22H27N5O3/c23-21(24)27-10-5-16-1-2-19(13-17(16)14-27)30-15-22(20(28)29)6-11-26(12-7-22)18-3-8-25-9-4-18/h1-4,8-9,13H,5-7,10-12,14-15H2,(H3,23,24)(H,28,29)"	""	""	""
"13647"	"juglone"	""	"Natural product"	""	""	""	""	"504705466"	"3806"	""	""	"CHEMBL43612"	""	""	""	""	"5-hydroxynaphthalene-1,4-dione"	""	""	"C1=CC2=C(C(=O)C=CC2=O)C(=C1)O"	"KQPYUDDGWXQXHS-UHFFFAOYSA-N"	"InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H"	""	""	""
"12864"	"Jun10541R"	""	"Synthetic organic"	""	""	""	""	"485205985"	"169422739"	""	""	""	""	""	""	""	"N-([1,1′-biphenyl]-4-yl)-2-cyano-N-((S)-2-oxo-2-(((S)-1-phenylethyl)amino)-1-(pyridin-3-yl)ethyl)acetamide"	""	""	"C1(=CC=C(C=C1)N(C(CC#N)=O)[C@H](C(N[C@@H](C)C2=CC=CC=C2)=O)C=3C=NC=CC3)C4=CC=CC=C4"	"SQGCCBUMOFAKRU-ZTOMLWHTSA-N"	"InChI=1S/C30H26N4O2/c1-22(23-9-4-2-5-10-23)33-30(36)29(26-13-8-20-32-21-26)34(28(35)18-19-31)27-16-14-25(15-17-27)24-11-6-3-7-12-24/h2-17,20-22,29H,18H2,1H3,(H,33,36)/t22-,29-/m0/s1"	""	""	""
"13481"	"Jun12682"	""	"Synthetic organic"	""	""	""	""	"500839891"	"169494310"	""	""	""	""	""	""	""	"5-[2-(dimethylamino)ethoxy]-N-[(1R)-1-[3-(1-ethylpyrazol-3-yl)-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methylbenzamide"	""	"Jun-12682"	"CCN1C=CC(=N1)C2=CC(=CC(=C2)[C@@H](C)NC(=O)C3=C(C=CC(=C3)OCCN(C)C)C)C4=CN(N=C4)C"	"ZOMNORZQANASQP-OAQYLSRUSA-N"	"InChI=1S/C29H36N6O2/c1-7-35-11-10-28(32-35)24-15-22(14-23(16-24)25-18-30-34(6)19-25)21(3)31-29(36)27-17-26(9-8-20(27)2)37-13-12-33(4)5/h8-11,14-19,21H,7,12-13H2,1-6H3,(H,31,36)/t21-/m1/s1"	""	""	""
"1106"	"JV-1-10"	""	"Peptide"	""	""	""	""	"135652228"	"0"	""	""	""	""	""	""	""	""	""	"[PhAc-Tyr<sup>1</sup>,D-Arg<sup>2</sup>,Phe(4-Cl)<sup>6</sup>,Arg<sup>9</sup>,Abu<sup>15</sup>,Nle<sup>27</sup>, D-Arg<sup>29</sup>]hGH-RH(1-29)NH2"	""	""	""	""	""	""
"1107"	"JV-1-36"	""	"Peptide"	""	""	""	""	"135652229"	"0"	""	""	""	""	""	""	""	""	""	"[PhAc-Tyr<sup>1</sup>,D-Arg<sup>2</sup>,Phe(4-Cl)<sup>6</sup>,Arg<sup>9</sup>,Abu<sup>15</sup>,Nle<sup>27</sup>,D-Arg<sup>28</sup>,Har<sup>29</sup>]hGH-RH(1-29)NH<sub>2</sub>|JV 1-36"	""	""	""	""	""	""
"1108"	"JV-1-37"	""	"Peptide"	""	""	""	""	"135652230"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1109"	"JV-1-38"	""	"Peptide"	""	""	""	""	"135652231"	"0"	""	""	""	""	""	""	""	""	""	"JV 1-38"	""	""	""	""	""	""
"1110"	"JV-1-39"	""	"Peptide"	""	""	""	""	"135652232"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1111"	"JV-1-40"	""	"Peptide"	""	""	""	""	"135652233"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1112"	"JV-1-41"	""	"Peptide"	""	""	""	""	"135652234"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1113"	"JV-1-42"	""	"Peptide"	""	""	""	""	"135652235"	"0"	""	""	""	""	""	""	""	""	""	"JV 1-42"	""	""	""	""	""	""
"1114"	"JV-1-43"	""	"Peptide"	""	""	""	""	"135652236"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1115"	"JV-1-62"	""	"Peptide"	""	""	""	""	"135652237"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1116"	"JV-1-63"	""	"Peptide"	""	""	""	""	"135652238"	"0"	""	""	""	""	""	""	""	""	""	"JV 1-63"	""	""	""	""	""	""
"5558"	"JWH015"	""	"Synthetic organic"	""	""	""	""	"178102197"	"4273754"	""	""	"CHEMBL306764"	""	""	""	""	"(2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone"	""	"JWH 015|JWH-015"	"CCCn1c(C)c(c2c1cccc2)C(=O)c1cccc2c1cccc2"	"LJSBBBWQTLXQEN-UHFFFAOYSA-N"	"InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3"	""	""	""
"9706"	"JWH-018"	""	"Synthetic organic"	""	""	""	""	"348353665"	"10382701"	""	""	"CHEMBL561013"	""	""	""	""	""	""	"AM-678|JWH 018|JWH018"	"CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2"	"JDNLPKCAXICMBW-UHFFFAOYSA-N"	"InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3"	""	""	""
"747"	"JWH-133"	""	"Synthetic organic"	""	""	""	""	"135650450"	"6918505"	""	""	"CHEMBL371214"	""	""	""	""	"(6aR,10aR)-6,6,9-trimethyl-3-(2-methylpentan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene"	""	"JWH 133|JWH133"	"CCCC(c1ccc2c(c1)OC([C@H]1[C@H]2CC(=CC1)C)(C)C)(C)C"	"YSBFLLZNALVODA-RBUKOAKNSA-N"	"InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1"	""	""	""
"11808"	"JX21108"	""	"Synthetic organic"	""	""	""	""	"458923843"	"162366977"	""	""	""	""	""	""	""	"2-[7-[(5-cyano-1-methylindol-3-yl)methyl]-2-aza-7-azoniaspiro[4.4]nonan-2-yl]-N-hydroxypyrimidine-5-carboxamide"	""	""	"Cn1cc(C[NH+]2CCC3(CCN(c4ncc(C(=O)NO)cn4)C3)C2)c2cc(C#N)ccc12"	"XYBGCCKUMXSCIP-UHFFFAOYSA-O"	"InChI=1S/C23H25N7O2/c1-28-12-18(19-8-16(9-24)2-3-20(19)28)13-29-6-4-23(14-29)5-7-30(15-23)22-25-10-17(11-26-22)21(31)27-32/h2-3,8,10-12,32H,4-7,13-15H2,1H3,(H,27,31)/p+1"	""	"yes"	""
"11945"	"JX35"	""	"Synthetic organic"	""	""	""	""	"461663500"	"162679550"	""	""	""	""	""	""	""	"2-{2-[(6-cyano-1-methyl-1H-indol-3-yl)methyl]-2,6-diazaspiro[3.4]octan-6-yl}-N-hydroxypyrimidine-5-carboxamide"	""	""	"ONC(=O)c1cnc(N2CC3(CN(Cc4cn(C)c5c4ccc(C#N)c5)C3)CC2)nc1"	"WBVFFDSDELAGSY-UHFFFAOYSA-N"	"InChI=1S/C22H23N7O2/c1-27-10-17(18-3-2-15(7-23)6-19(18)27)11-28-12-22(13-28)4-5-29(14-22)21-24-8-16(9-25-21)20(30)26-31/h2-3,6,8-10,31H,4-5,11-14H2,1H3,(H,26,30)"	""	"yes"	""
"4230"	"JYL1421"	""	"Synthetic organic"	""	""	""	""	"178101047"	"10295883"	""	""	"CHEMBL388824"	""	""	""	""	"3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-methanesulfonamidophenyl)methyl]thiourea"	""	"JYL-1421|SC-0030|SC0030"	"S=C(NCc1ccc(cc1)C(C)(C)C)NCc1ccc(c(c1)F)NS(=O)(=O)C"	"DUHBVFMCIJLUJX-UHFFFAOYSA-N"	"InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)"	""	""	""
"5207"	"JZL184"	""	"Synthetic organic"	""	""	""	""	"178101893"	"25021165"	""	""	"CHEMBL576786"	""	""	""	""	"4-nitrophenyl 4-[bis(2H-1,3-benzodioxol-5-yl)(hydroxy)methyl]piperidine-1-carboxylate"	""	"JZL 184|JZL-184"	"O=C(N1CCC(CC1)C(c1ccc2c(c1)OCO2)(c1ccc2c(c1)OCO2)O)Oc1ccc(cc1)[N+](=O)[O-]"	"SEGYOKHGGFKMCX-UHFFFAOYSA-N"	"InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2"	""	""	""
"8606"	"JZL195"	""	"Synthetic organic"	""	""	""	""	"252166807"	"46232606"	""	""	"CHEMBL606201"	""	""	""	""	"(4-nitrophenyl) 4-[(3-phenoxyphenyl)methyl]piperazine-1-carboxylate"	""	"JZL 195|JZL-195"	"O=C(N1CCN(CC1)Cc1cccc(c1)Oc1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]"	"QNYRAEKLMNDRFY-UHFFFAOYSA-N"	"InChI=1S/C24H23N3O5/c28-24(32-22-11-9-20(10-12-22)27(29)30)26-15-13-25(14-16-26)18-19-5-4-8-23(17-19)31-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2"	""	""	""
"13266"	"K02288"	""	"Synthetic organic"	""	""	""	""	"491300048"	"46173038"	""	""	"CHEMBL1230714"	""	""	""	""	"3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol"	""	"hit 3 [PMID: 38177100]"	"COC1=CC(=CC(=C1OC)OC)C2=C(N=CC(=C2)C3=CC(=CC=C3)O)N"	"CJLMANFTWLNAKC-UHFFFAOYSA-N"	"InChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-22-20(16)21)12-5-4-6-15(23)7-12/h4-11,23H,1-3H3,(H2,21,22)"	""	""	""
"11515"	"K11777"	""	"Synthetic organic"	""	""	""	""	"441604887"	"52946595"	""	""	""	""	""	""	""	"N-[(2S)-1-[[(3S)-1-(benzenesulfonyl)-5-phenylpentan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpiperazine-1-carboxamide"	""	"K-777|K777|N-methyl-Pip-F-hF-VS&phi;|NMePip-Phe-hPhe-VSPh|S-001|SLV213"	"CN1CCN(CC1)C(=O)N[C@H](C(=O)N[C@H](CCS(=O)(=O)c1ccccc1)CCc1ccccc1)Cc1ccccc1"	"VZSXPUDQSLKVIR-JDXGNMNLSA-N"	"InChI=1S/C32H40N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,28,30H,17-25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1"	""	""	""
"1359"	"K185"	""	"Synthetic organic"	""	""	""	""	"135650451"	"5311198"	""	""	"CHEMBL274438"	""	""	""	""	"N-[2-(11-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]butanamide"	""	"K 185|K-185"	"CCCC(=O)NCCc1c2c3ccccc3CCCn2c2c1cc(OC)cc2"	"SPIFQXPRSJKRAO-UHFFFAOYSA-N"	"InChI=1S/C24H28N2O2/c1-3-7-23(27)25-14-13-20-21-16-18(28-2)11-12-22(21)26-15-6-9-17-8-4-5-10-19(17)24(20)26/h4-5,8,10-12,16H,3,6-7,9,13-15H2,1-2H3,(H,25,27)"	""	""	""
"336"	"K-252a"	""	"Natural product"	""	""	""	""	"135652695"	"490561"	""	""	"CHEMBL416056"	""	""	""	""	""	""	"K252a|ST50826373|staurosporine aglycone"	"COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O"	"KOZFSFOOLUUIGY-IYYJOCMQSA-N"	"InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m0/s1"	""	""	""
"3890"	"K31440"	""	"Peptide"	""	""	""	""	"178100726"	"134813884"	""	""	""	""	""	""	""	""	""	"Ac-(D-Tyr<sup>11</sup>,His<sup>12</sup>,Nle<sup>17</sup>)sauvagine(11-40)|K 31440|K-31440"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](O)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)CCCN=C(N)N)CC(=O)N)CC(=O)N)C)C)CCC(=O)N)CCC(=O)N)CCCCN)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)Cc1c[nH]cn1)CC(C)C)CC(C)C)CCCN=C(N)N)CCCCN)CCC(=O)O)CCC(=O)O)CCCCN)CCC(=O)N)CCC(=O)O"	"MTYZMMGEGHDKQA-WQJRYCLWSA-N"	"InChI=1S/C156H264N46O47/c1-20-80(14)122(199-140(234)93(36-26-30-60-160)180-133(227)94(37-31-61-172-155(167)168)181-142(236)103(63-75(4)5)193-145(239)106(66-78(10)11)196-147(241)108(69-87-73-171-74-174-87)191-128(222)89(161)68-86-39-41-88(204)42-40-86)152(246)189-102(49-56-120(216)217)141(235)200-123(81(15)21-2)151(245)188-101(48-55-119(214)215)139(233)179-91(34-24-28-58-158)131(225)185-98(45-52-114(164)207)136(230)187-100(47-54-118(212)213)138(232)178-92(35-25-29-59-159)132(226)186-99(46-53-117(210)211)137(231)177-90(33-23-27-57-157)130(224)184-97(44-51-113(163)206)135(229)183-96(43-50-112(162)205)129(223)176-83(17)126(220)175-84(18)127(221)190-109(70-115(165)208)149(243)197-110(71-116(166)209)148(242)182-95(38-32-62-173-156(169)170)134(228)192-104(64-76(6)7)143(237)194-105(65-77(8)9)144(238)195-107(67-79(12)13)146(240)198-111(72-121(218)219)150(244)202-125(85(19)203)153(247)201-124(154(248)249)82(16)22-3/h39-42,73-85,89-111,122-125,203-204H,20-38,43-72,157-161H2,1-19H3,(H2,162,205)(H2,163,206)(H2,164,207)(H2,165,208)(H2,166,209)(H,171,174)(H,175,220)(H,176,223)(H,177,231)(H,178,232)(H,179,233)(H,180,227)(H,181,236)(H,182,242)(H,183,229)(H,184,224)(H,185,225)(H,186,226)(H,187,230)(H,188,245)(H,189,246)(H,190,221)(H,191,222)(H,192,228)(H,193,239)(H,194,237)(H,195,238)(H,196,241)(H,197,243)(H,198,240)(H,199,234)(H,200,235)(H,201,247)(H,202,244)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H,248,249)(H4,167,168,172)(H4,169,170,173)/t80-,81-,82-,83-,84-,85+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,122-,123-,124-,125-/m0/s1"	""	""	""
"3891"	"K41498"	""	"Peptide"	""	""	""	""	"178100727"	"134813885"	""	""	""	""	""	""	""	""	""	"[D-Phe<sup>11</sup>,His<sup>12</sup>,Nle<sup>17</sup>]sauvagine(11-40)|K 41498|K-41498"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](O)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)CCCN=C(N)N)CC(=O)N)CC(=O)N)C)C)CCC(=O)N)CCC(=O)N)CCCCN)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCN=C(N)N)CCCCN)CCC(=O)O)CCC(=O)O)CCCCN)CCC(=O)N)CCC(=O)O"	"NXDTZPDUWWAHAM-JXLAGIIJSA-N"	"InChI=1S/C156H264N46O46/c1-20-81(14)122(199-140(233)93(41-29-33-61-160)180-133(226)94(42-34-62-172-155(167)168)181-142(235)103(64-76(4)5)193-145(238)106(67-79(10)11)196-147(240)108(70-88-74-171-75-174-88)191-128(221)89(161)69-87-36-24-23-25-37-87)152(245)189-102(50-57-120(215)216)141(234)200-123(82(15)21-2)151(244)188-101(49-56-119(213)214)139(232)179-91(39-27-31-59-158)131(224)185-98(46-53-114(164)206)136(229)187-100(48-55-118(211)212)138(231)178-92(40-28-32-60-159)132(225)186-99(47-54-117(209)210)137(230)177-90(38-26-30-58-157)130(223)184-97(45-52-113(163)205)135(228)183-96(44-51-112(162)204)129(222)176-84(17)126(219)175-85(18)127(220)190-109(71-115(165)207)149(242)197-110(72-116(166)208)148(241)182-95(43-35-63-173-156(169)170)134(227)192-104(65-77(6)7)143(236)194-105(66-78(8)9)144(237)195-107(68-80(12)13)146(239)198-111(73-121(217)218)150(243)202-125(86(19)203)153(246)201-124(154(247)248)83(16)22-3/h23-25,36-37,74-86,89-111,122-125,203H,20-22,26-35,38-73,157-161H2,1-19H3,(H2,162,204)(H2,163,205)(H2,164,206)(H2,165,207)(H2,166,208)(H,171,174)(H,175,219)(H,176,222)(H,177,230)(H,178,231)(H,179,232)(H,180,226)(H,181,235)(H,182,241)(H,183,228)(H,184,223)(H,185,224)(H,186,225)(H,187,229)(H,188,244)(H,189,245)(H,190,220)(H,191,221)(H,192,227)(H,193,238)(H,194,236)(H,195,237)(H,196,240)(H,197,242)(H,198,239)(H,199,233)(H,200,234)(H,201,246)(H,202,243)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,247,248)(H4,167,168,172)(H4,169,170,173)/t81-,82-,83-,84-,85-,86+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,122-,123-,124-,125-/m0/s1"	""	""	""
"10150"	"K-604"	""	"Synthetic organic"	""	""	""	""	"381118860"	"9892288"	""	""	"CHEMBL3890942"	""	""	""	""	"2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide"	""	"compound 2 [PMID: 30433781]|K604"	"CSc1cc(C)nc(c1NC(=O)CN1CCN(CC1)CCSc1nc2c([nH]1)cccc2)SC"	"VGGMTOYKEDKFLN-UHFFFAOYSA-N"	"InChI=1S/C23H30N6OS3/c1-16-14-19(31-2)21(22(24-16)32-3)27-20(30)15-29-10-8-28(9-11-29)12-13-33-23-25-17-6-4-5-7-18(17)26-23/h4-7,14H,8-13,15H2,1-3H3,(H,25,26)(H,27,30)"	""	""	""
"10347"	"K-80003"	""	"Synthetic organic"	""	""	""	""	"381745028"	"46224594"	""	""	""	""	""	""	""	"2-[(3Z)-6-fluoro-2-methyl-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]acetic acid"	""	""	"OC(=O)CC1=C(C)/C(=C/c2ccc(cc2)C(C)C)/c2c1cc(F)cc2"	"QCXBVGNDRYQVJO-GRSHGNNSSA-N"	"InChI=1S/C22H21FO2/c1-13(2)16-6-4-15(5-7-16)10-19-14(3)20(12-22(24)25)21-11-17(23)8-9-18(19)21/h4-11,13H,12H2,1-3H3,(H,24,25)/b19-10-"	""	""	""
"9651"	"K-8794"	""	"Synthetic organic"	""	""	""	""	"340590281"	"9810112"	""	""	""	""	""	""	""	"3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxy-N-(2,6-dimethylphenyl)propanamide"	""	""	"COc1ccccc1Oc1c(OCCC(=O)Nc2c(C)cccc2C)nc(nc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1"	"MTNFANNLCUMCNB-UHFFFAOYSA-N"	"InChI=1S/C36H38N6O6S/c1-23-11-9-12-24(2)30(23)39-29(43)19-22-47-35-31(48-28-14-8-7-13-27(28)46-6)32(40-34(41-35)33-37-20-10-21-38-33)42-49(44,45)26-17-15-25(16-18-26)36(3,4)5/h7-18,20-21H,19,22H2,1-6H3,(H,39,43)(H,40,41,42)"	""	""	""
"9663"	"KA1010"	""	"Synthetic organic"	""	""	""	""	"348353622"	"46852450"	""	""	"CHEMBL3675757"	""	""	""	""	"7-(dipyridin-2-ylamino)-N-hydroxyheptanamide"	""	""	"ONC(=O)CCCCCCN(c1ccccn1)c1ccccn1"	"QKTORDWLHYWRJF-UHFFFAOYSA-N"	"InChI=1S/C17H22N4O2/c22-17(20-23)11-3-1-2-8-14-21(15-9-4-6-12-18-15)16-10-5-7-13-19-16/h4-7,9-10,12-13,23H,1-3,8,11,14H2,(H,20,22)"	"yes"	""	""
"12269"	"KA2507"	""	"Synthetic organic"	""	""	""	""	"473153857"	"117703516"	""	""	""	""	""	""	""	"4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide"	""	""	"c1cc(ccc1CN(c1nccnc1)c1nccnc1)C(=O)NO"	"LXHMTDHBMRZSHJ-UHFFFAOYSA-N"	"InChI=1S/C16H14N6O2/c23-16(21-24)13-3-1-12(2-4-13)11-22(14-9-17-5-7-19-14)15-10-18-6-8-20-15/h1-10,24H,11H2,(H,21,23)"	""	""	""
"13277"	"kaempferitrin"	""	"Natural product"	""	""	""	""	"491300059"	"5486199"	""	""	"CHEMBL251766"	""	""	""	""	"5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one"	""	"kaempferol 3,7-dirhamnoside|lespedin|lespenefril"	"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O"	"PUPKKEQDLNREIM-QNSQPKOQSA-N"	"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1"	""	""	""
"11052"	"kaempferol"	""	"Natural product"	""	""	""	""	"405560493"	"5280863"	""	""	"CHEMBL150"	""	""	""	""	"3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one"	""	"Robigenin"	"Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O"	"IYRMWMYZSQPJKC-UHFFFAOYSA-N"	"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H"	""	""	"yes"
"4231"	"kainate"	""	"Natural product"	""	""	""	""	"178101048"	"73755076"	""	""	""	""	""	""	""	"(2S,3S,4S)-3-(carboxylatomethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylate"	""	""	"[O-]C(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)[O-])C(=C)C"	"VLSMHEGGTFMBBZ-OOZYFLPDSA-L"	"InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/p-2/t6-,7+,9-/m0/s1"	""	""	""
"2546"	"kaliotoxin"	""	"Peptide"	""	""	""	""	"135652239"	"90488859"	"Q9NII7"	""	""	""	""	""	""	""	""	"BmKTX|KTX|potassium channel toxin &alpha;-KTx 3.6"	"CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC1CSSCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC3CSSCC(C(=O)NC(C(=O)NC(C(=O)N4CCCC4C(=O)NC(CSSCC(NC(=O)C(NC3=O)CC5=CNC=N5)C(=O)NC(C(C)O)C(=O)N6CCCC6C(=O)NC(CCCCN)C(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N2)CCCCN)CC7=CC=CC=C7)CCCNC(=N)N)CCSC)C)CC(=O)O)CCCCN)CCCCN)CC(C)C)NC(=O)C(NC(=O)C8CCCN8C(=O)C(NC(=O)CNC(=O)C(NC1=O)CO)CO)CCC(=O)N)CCCCN)CCCNC(=N)N)CC(=O)N)CCSC)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)CN"	"VRARWAGTAUYUOO-UHFFFAOYSA-N"	"InChI=1S/C171H283N55O49S8/c1-13-89(8)134(222-148(253)101(48-50-130(237)238)204-163(268)132(87(4)5)220-126(233)72-178)165(270)212-110(70-125(181)232)153(258)221-133(88(6)7)164(269)203-97(39-20-26-56-175)144(249)216-117-82-281-278-79-114-154(259)201-103(52-65-277-12)147(252)210-109(69-124(180)231)152(257)199-98(42-29-59-187-170(182)183)140(245)197-96(38-19-25-55-174)143(248)215-116-81-280-279-80-115(217-145(250)100(47-49-123(179)230)202-160(265)120-44-32-62-225(120)167(272)113(78-228)196-129(236)76-191-138(243)112(77-227)213-158(117)263)156(261)207-106(66-86(2)3)150(255)205-104(40-21-27-57-176)166(271)224-61-31-45-121(224)162(267)219-118(83-282-283-84-119(218-151(256)108(209-157(116)262)68-93-73-186-85-192-93)159(264)223-135(91(10)229)168(273)226-63-33-46-122(226)161(266)206-105(169(274)275)41-22-28-58-177)155(260)200-95(37-18-24-54-173)141(246)211-111(71-131(239)240)149(254)193-90(9)136(241)189-74-127(234)195-102(51-64-276-11)146(251)198-99(43-30-60-188-171(184)185)142(247)208-107(67-92-34-15-14-16-35-92)137(242)190-75-128(235)194-94(139(244)214-114)36-17-23-53-172/h14-16,34-35,73,85-91,94-122,132-135,227-229H,13,17-33,36-72,74-84,172-178H2,1-12H3,(H2,179,230)(H2,180,231)(H2,181,232)(H,186,192)(H,189,241)(H,190,242)(H,191,243)(H,193,254)(H,194,235)(H,195,234)(H,196,236)(H,197,245)(H,198,251)(H,199,257)(H,200,260)(H,201,259)(H,202,265)(H,203,269)(H,204,268)(H,205,255)(H,206,266)(H,207,261)(H,208,247)(H,209,262)(H,210,252)(H,211,246)(H,212,270)(H,213,263)(H,214,244)(H,215,248)(H,216,249)(H,217,250)(H,218,256)(H,219,267)(H,220,233)(H,221,258)(H,222,253)(H,223,264)(H,237,238)(H,239,240)(H,274,275)(H4,182,183,187)(H4,184,185,188)"	""	""	""
"650"	"kallidin"	"Human"	"Peptide"	""	""	""	""	"135651794"	"5311111"	"P01042"	"ENSG00000113889"	""	""	""	""	""	"(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid"	""	"[Lys]bradykinin|kallidin II|Lys-BK|Lysyl-bradykinin"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N)N"	"FYSKZKQBTVLYEQ-FSLKYBNLSA-N"	"InChI=1S/C56H85N17O12/c57-24-8-7-18-36(58)46(76)67-37(19-9-25-63-55(59)60)51(81)73-29-13-23-44(73)53(83)72-28-11-21-42(72)49(79)65-32-45(75)66-39(30-34-14-3-1-4-15-34)47(77)70-41(33-74)52(82)71-27-12-22-43(71)50(80)69-40(31-35-16-5-2-6-17-35)48(78)68-38(54(84)85)20-10-26-64-56(61)62/h1-6,14-17,36-44,74H,7-13,18-33,57-58H2,(H,65,79)(H,66,75)(H,67,76)(H,68,78)(H,69,80)(H,70,77)(H,84,85)(H4,59,60,63)(H4,61,62,64)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1"	""	""	""
"843"	"kallstroemin D"	""	"Natural product"	""	""	""	""	"135652696"	"73754998"	""	""	""	""	""	""	""	""	""	""	"CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)OC1OC(COC2OC(C)C(C(C2OC2(CC(O)C(C(O2)C)O)OC2OC(C)C(C(C2O)O)O)O)O)C(C(C1O)O)O)C"	"JXANHBVHGVNOQZ-UHFFFAOYSA-N"	"InChI=1S/C51H82O20/c1-21-10-15-50(63-19-21)22(2)34-32(69-50)17-30-28-9-8-26-16-27(11-13-48(26,6)29(28)12-14-49(30,34)7)66-45-42(60)40(58)38(56)33(67-45)20-62-47-44(41(59)37(55)24(4)65-47)70-51(18-31(52)35(53)25(5)68-51)71-46-43(61)39(57)36(54)23(3)64-46/h8,21-25,27-47,52-61H,9-20H2,1-7H3"	""	""	""
"12132"	"kanamycin"	""	"Natural product"	"yes"	""	""	""	"472319254"	"6032"	""	""	"CHEMBL1384"	""	""	""	""	"(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol"	"kanamycin"	"kanamycin A"	"C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN)O)O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)N)O)N"	"SBUJHOSQTJFQJX-NOAMYHISSA-N"	"InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1"	""	""	"yes"
"11476"	"&kappa;M-conotoxin RIIIK"	""	"Peptide"	""	""	""	""	"440816844"	"0"	""	""	""	""	""	""	""	""	""	"&kappa;M-RIIIK|kappaM-RIIIK"	""	""	""	""	""	""
"2088"	"kassinin"	""	"Peptide"	""	""	""	""	"135652240"	"45749"	"P08611"	""	""	""	""	""	""	"3-amino-4-[[1-[2-[[6-amino-1-[[1-[[1-[[5-amino-1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid"	""	""	"NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CCSC)CC(C)C)C(C)C)Cc1ccccc1)CCC(=O)N)CC(=O)O)CO)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(CC(=O)O)N"	"NXTPETCPVNEEOP-UHFFFAOYSA-N"	"InChI=1S/C59H95N15O18S/c1-30(2)24-38(53(86)66-35(49(63)82)20-23-93-7)65-44(77)28-64-58(91)47(31(3)4)72-55(88)39(25-33-14-9-8-10-15-33)69-52(85)37(18-19-43(62)76)67-54(87)40(27-46(80)81)70-56(89)41(29-75)71-51(84)36(16-11-12-21-60)68-57(90)42-17-13-22-74(42)59(92)48(32(5)6)73-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,75H,11-13,16-29,60-61H2,1-7H3,(H2,62,76)(H2,63,82)(H,64,91)(H,65,77)(H,66,86)(H,67,87)(H,68,90)(H,69,85)(H,70,89)(H,71,84)(H,72,88)(H,73,83)(H,78,79)(H,80,81)"	""	""	""
"10970"	"Katanosin B"	""	"Natural product"	""	""	""	""	"405560411"	"197270"	""	""	""	""	""	""	""	"2-amino-N-[1-[[6-(2-amino-1-hydroxy-2-oxoethyl)-15-butan-2-yl-18-[3-(diaminomethylideneamino)propyl]-12-(1-hydroxyethyl)-3-(hydroxymethyl)-24-(1-hydroxy-2-methylpropyl)-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-28-phenyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide"	""	"Lysobactin"	"OCC1NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(OC1=O)c1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)N)CC(C)C)C(C(C)C)O)CC(C)C)CCCN=C(N)N)C(CC)C)C(O)C)C(C(=O)N)O"	"KQMKBWMQSNKASI-UHFFFAOYSA-N"	"InChI=1S/C58H97N15O17/c1-12-30(10)39-53(85)71-40(31(11)75)52(84)64-24-38(76)69-42(45(78)47(60)79)55(87)68-37(25-74)57(89)90-46(32-17-14-13-15-18-32)43(73-51(83)36(23-28(6)7)66-48(80)33(59)21-26(2)3)56(88)72-41(44(77)29(8)9)54(86)67-35(22-27(4)5)50(82)65-34(49(81)70-39)19-16-20-63-58(61)62/h13-15,17-18,26-31,33-37,39-46,74-75,77-78H,12,16,19-25,59H2,1-11H3,(H2,60,79)(H,64,84)(H,65,82)(H,66,80)(H,67,86)(H,68,87)(H,69,76)(H,70,81)(H,71,85)(H,72,88)(H,73,83)(H4,61,62,63)"	""	""	"yes"
"7659"	"KB-130015"	""	"Synthetic organic"	""	""	""	""	"223365994"	"9872203"	""	""	"CHEMBL157885"	""	""	""	""	"2-[2,6-diiodo-4-[(2-methyl-1-benzofuran-3-yl)methyl]phenoxy]acetic acid"	""	"KB 130015|KB130015"	"OC(=O)COc1c(I)cc(cc1I)Cc1c(C)oc2c1cccc2"	"OLIKCJUMYWSDIV-UHFFFAOYSA-N"	"InChI=1S/C18H14I2O4/c1-10-13(12-4-2-3-5-16(12)24-10)6-11-7-14(19)18(15(20)8-11)23-9-17(21)22/h2-5,7-8H,6,9H2,1H3,(H,21,22)"	""	""	""
"2638"	"KB-141"	""	"Synthetic organic"	""	""	""	""	"135650452"	"9863447"	""	""	"CHEMBL41036"	""	""	""	""	"2-[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]acetic acid"	""	"KB 141|KB141"	"OC(=O)Cc1cc(Cl)c(c(c1)Cl)Oc1ccc(c(c1)C(C)C)O"	"OZYQIQVPUZANTM-UHFFFAOYSA-N"	"InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)"	""	""	""
"11046"	"KB-5246"	""	"Synthetic organic"	""	""	""	""	"405560487"	"197272"	""	""	""	""	""	""	""	""	""	"KB5246|LS-99630"	"CN1CCN(CC1)C1=C2OCC3=NSC4=C(C(=O)CC(=C1F)C4C23)C(=O)O"	"BVTDWOWPDCPIOM-UHFFFAOYSA-N"	"InChI=1S/C18H18FN3O4S/c1-21-2-4-22(5-3-21)15-14(19)8-6-10(23)13(18(24)25)17-11(8)12-9(20-27-17)7-26-16(12)15/h11-12H,2-7H2,1H3,(H,24,25)"	""	""	"yes"
"7370"	"KB-74935"	""	"Synthetic organic"	""	""	""	""	"178103942"	"44160268"	""	""	"CHEMBL550175"	""	""	""	""	"3-chloro-4-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonylbenzamide"	""	"KB 74935"	"Fc1ccc(c(c1)C(F)(F)F)N1CCN([C@@H](C1)C)S(=O)(=O)c1ccc(cc1Cl)C(=O)N"	"OMWNFYWEMXUREB-LLVKDONJSA-N"	"InChI=1S/C19H18ClF4N3O3S/c1-11-10-26(16-4-3-13(21)9-14(16)19(22,23)24)6-7-27(11)31(29,30)17-5-2-12(18(25)28)8-15(17)20/h2-5,8-9,11H,6-7,10H2,1H3,(H2,25,28)/t11-/m1/s1"	""	""	""
"9369"	"kb-NB142-70"	""	"Synthetic organic"	""	""	""	""	"328083471"	"45258277"	""	""	"CHEMBL1672571"	""	""	""	""	"9-hydroxy-3,4-dihydro-2H-[1]benzothiolo[2,3-f][1,4]thiazepin-5-one"	""	"kb NB 142-70"	"Oc1cc2c3SCCNC(=O)c3sc2cc1"	"DHUAGGSHTKPOHU-UHFFFAOYSA-N"	"InChI=1S/C11H9NO2S2/c13-6-1-2-8-7(5-6)9-10(16-8)11(14)12-3-4-15-9/h1-2,5,13H,3-4H2,(H,12,14)"	""	""	""
"10660"	"KBP-066"	""	"Peptide"	""	""	""	""	"404859107"	"0"	""	""	""	""	""	""	""	""	""	"DACRA|KBP 066|KBP066"	""	""	""	""	""	""
"10683"	"KBP-088"	""	"Peptide"	""	""	""	""	"404859130"	"0"	""	""	""	""	""	""	""	""	""	"DACRA|KBP 088|KBP088|KeyBiosciencePeptide 088"	""	""	""	""	""	""
"9691"	"KBP-7018"	""	"Synthetic organic"	""	""	""	""	"348353650"	"136216081"	""	""	""	""	""	""	""	"methyl (3Z)-3-[[[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]amino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylate"	""	"compound 3 [Huang <i>et al</i>., 2017]"	"COC(=O)c1ccc2c(c1)NC(=O)/C/2=C(/c1ccccc1)\Nc1ccc2c(c1)CCN2C(=O)CN1CCOCC1"	"JVDJHTYIWQIOCA-ZIADKAODSA-N"	"InChI=1S/C31H30N4O5/c1-39-31(38)22-7-9-24-25(18-22)33-30(37)28(24)29(20-5-3-2-4-6-20)32-23-8-10-26-21(17-23)11-12-35(26)27(36)19-34-13-15-40-16-14-34/h2-10,17-18,32H,11-16,19H2,1H3,(H,33,37)/b29-28-"	"yes"	""	""
"4232"	"KB-R7943"	""	"Synthetic organic"	""	""	""	""	"178101049"	"9823846"	""	""	""	""	""	""	""	"methanesulfonic acid; 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethylsulfanylmethanimidamide"	""	""	"CS(=O)(=O)O.NC(=N)SCCc1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]"	"WGIKEBHIKKWJLG-UHFFFAOYSA-N"	"InChI=1S/C16H17N3O3S.CH4O3S/c17-16(18)23-10-9-12-3-7-15(8-4-12)22-11-13-1-5-14(6-2-13)19(20)21;1-5(2,3)4/h1-8H,9-11H2,(H3,17,18);1H3,(H,2,3,4)"	""	""	""
"6507"	"KC-12615"	""	"Synthetic organic"	""	""	""	""	"178103121"	"6918344"	""	""	""	""	""	""	""	"(2R)-2-[[1-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoyl]cyclopentyl]methyl]-4-phenylbutanoic acid"	""	""	"OC(=O)CN1C(=O)[C@H](CCc2c1cccc2)NC(=O)C1(CCCC1)C[C@H](C(=O)O)CCc1ccccc1"	"RSRHEOWMSRYTNB-PKTZIBPZSA-N"	"InChI=1S/C29H34N2O6/c32-25(33)19-31-24-11-5-4-10-21(24)14-15-23(26(31)34)30-28(37)29(16-6-7-17-29)18-22(27(35)36)13-12-20-8-2-1-3-9-20/h1-5,8-11,22-23H,6-7,12-19H2,(H,30,37)(H,32,33)(H,35,36)/t22-,23+/m1/s1"	""	""	""
"12845"	"KC-130"	""	"Synthetic organic"	""	""	""	""	"483123393"	"168433319"	""	""	""	""	""	""	""	"N-(3-(4-(3-((1-Acryloylpyrrolidin-3-yl)oxy)-1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-1,2,3-triazol-1-yl)-2,4-difluorophenyl)-[1,1′-biphenyl]-3-sulfonamide"	""	"compound 8 [PMID: 37220641]|KC130"	"FC1=CC=C(NS(C2=CC=CC(C3=CC=CC=C3)=C2)(=O)=O)C(F)=C1N4N=NC(C5=CN=C6NN=C(OC7CCN(C(C=C)=O)C7)C6=C5)=C4"	"BTVPMDAMCUGYJV-UHFFFAOYSA-N"	"InChI=1S/C33H26F2N8O4S/c1-2-29(44)42-14-13-23(18-42)47-33-25-16-22(17-36-32(25)38-39-33)28-19-43(41-37-28)31-26(34)11-12-27(30(31)35)40-48(45,46)24-10-6-9-21(15-24)20-7-4-3-5-8-20/h2-12,15-17,19,23,40H,1,13-14,18H2,(H,36,38,39)"	""	""	""
"12176"	"KC-180-2"	""	"Synthetic organic"	""	""	""	""	"472319298"	"165368934"	""	""	""	""	""	""	""	""	""	""	"N1(CCC1)c1ccc(cc1)c1ccc(nc1)CC(=O)NCc1ccccc1"	"KUPDBUBFYCYCNJ-UHFFFAOYSA-N"	"InChI=1S/C23H23N3O/c27-23(25-16-18-5-2-1-3-6-18)15-21-10-7-20(17-24-21)19-8-11-22(12-9-19)26-13-4-14-26/h1-3,5-12,17H,4,13-16H2,(H,25,27)"	""	""	""
"12792"	"KCL-286"	""	"Synthetic organic"	""	""	""	""	"483123340"	"121414283"	""	""	"CHEMBL4459692"	""	""	""	""	"4-[5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid"	""	"BHBA-001|BHBA001|C-286|C286|compound 10 [PMID: 30792038]|KCL286"	"CC1=CC=C(C)C2=C1OC(=C2)C3=NC(=NO3)C4=CC=C(C=C4)C(O)=O"	"AVCXUODHLRZJJP-UHFFFAOYSA-N"	"InChI=1S/C19H14N2O4/c1-10-3-4-11(2)16-14(10)9-15(24-16)18-20-17(21-25-18)12-5-7-13(8-6-12)19(22)23/h3-9H,1-2H3,(H,22,23)"	""	""	""
"10141"	"KDM5 inhibitor N71"	""	"Synthetic organic"	""	""	""	""	"381118851"	"137321153"	""	""	""	""	""	""	""	""	""	""	"CN(C/C=C/C(=O)Nc1cccc(c1)C(c1cc2c(s1)c(ccn2)C(=O)O)OCCN1CCCCC1)C"	"KIIDGZQVWULCMZ-JXMROGBWSA-N"	"InChI=1S/C28H34N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6-12,18-19,26H,3-5,13-17H2,1-2H3,(H,30,33)(H,34,35)/b10-7+"	""	""	""
"8576"	"KDOAM25"	""	"Synthetic organic"	""	""	""	""	"252166777"	"91810435"	""	""	""	""	""	""	""	"2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide"	""	"KDOAM-25"	"CCN(C(=O)CNCc1nccc(c1)C(=O)N)CCN(C)C"	"PNFMVADNCOGWME-UHFFFAOYSA-N"	"InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)"	""	""	""
"11863"	"KDU691"	""	"Synthetic organic"	""	""	""	""	"461663419"	"90157166"	""	""	"CHEMBL3325608"	""	""	""	""	"N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide"	""	""	"CNC(=O)c1ccc(cc1)c1cnc2n1cc(nc2)C(=O)N(C)c1ccc(cc1)Cl"	"TYMFFISSODJRDV-UHFFFAOYSA-N"	"InChI=1S/C22H18ClN5O2/c1-24-21(29)15-5-3-14(4-6-15)19-11-26-20-12-25-18(13-28(19)20)22(30)27(2)17-9-7-16(23)8-10-17/h3-13H,1-2H3,(H,24,29)"	""	"yes"	""
"13949"	"KDX1381"	""	"Synthetic organic"	""	""	""	""	"513757634"	"162435223"	""	""	""	""	""	""	""	"N-[2-[4-[[4-(2-acetyl-5-fluoro-1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-fluoro-6-hydroxyphenyl)benzenesulfonamide"	""	"compound 19 [PMID: 40493957]|KDX-1381"	"O=S(NCCN1CCC(CC1)CN2N=NC(=C2)C3=C(C(C)=O)NC4=CC=C(F)C=C43)(C5=CC=C(C6=C(O)C=CC=C6F)C=C5)=O"	"PDUWTNSNRYDIMZ-UHFFFAOYSA-N"	"InChI=1S/C32H32F2N6O4S/c1-20(41)32-31(25-17-23(33)7-10-27(25)36-32)28-19-40(38-37-28)18-21-11-14-39(15-12-21)16-13-35-45(43,44)24-8-5-22(6-9-24)30-26(34)3-2-4-29(30)42/h2-10,17,19,21,35-36,42H,11-16,18H2,1H3"	""	""	""
"2013"	"KE 108"	""	"Peptide"	""	""	""	""	"135652241"	"0"	""	""	""	""	""	""	""	""	""	"KE-108|KE108"	""	""	""	""	""	""
"11656"	"kelatorphan"	""	"Synthetic organic"	""	""	""	""	"442878682"	"123982"	""	""	"CHEMBL85320"	""	""	""	""	""	""	""	"C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO"	"OJCFZTVYDSKXNM-GXSJLCMTSA-N"	"InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1"	""	""	""
"6000"	"kenpaullone"	""	"Synthetic organic"	""	""	""	""	"178102622"	"3820"	""	""	"CHEMBL296586"	""	""	""	""	"14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12,14,16-heptaen-9-one"	""	"9-bromopaullone"	"O=C1Nc2ccccc2c2c(C1)c1cc(Br)ccc1[nH]2"	"QQUXFYAWXPMDOE-UHFFFAOYSA-N"	"InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)"	""	""	""
"4233"	"ketamine"	""	"Synthetic organic"	"yes"	""	""	""	"178101050"	"3821"	""	""	"CHEMBL742"	""	""	""	""	"2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one"	"ketamine"	"Ketalar|ketamine HCl"	"CNC1(CCCCC1=O)c1ccccc1Cl"	"YQEZLKZALYSWHR-UHFFFAOYSA-N"	"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3"	""	""	""
"88"	"ketanserin"	""	"Synthetic organic"	"yes"	""	""	""	"135650453"	"3822"	""	""	"CHEMBL51"	""	""	""	""	"3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione"	"ketanserin"	"ketaserin|R41 468"	"Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2"	"FPCCSQOGAWCVBH-UHFFFAOYSA-N"	"InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)"	""	""	""
"2568"	"ketoconazole"	""	"Synthetic organic"	"yes"	""	""	""	"135650454"	"3823"	""	""	"CHEMBL157101"	""	""	""	""	"1-[4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone"	"ketoconazole"	"Nizoral&reg;|R-41400"	"Clc1ccc(c(c1)Cl)C1(OCC(O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1"	"XMAYWYJOQHXEEK-UHFFFAOYSA-N"	"InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3"	""	""	""
"4795"	"ketoprofen"	""	"Synthetic organic"	"yes"	""	""	""	"178101497"	"3825"	""	""	"CHEMBL571"	""	""	""	""	"2-(3-benzoylphenyl)propanoic acid"	"ketoprofen"	"Actron&reg;|Orudis&reg;"	"OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C"	"DKYWVDODHFEZIM-UHFFFAOYSA-N"	"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)"	"yes"	""	""
"6661"	"ketorolac"	""	"Synthetic organic"	"yes"	""	""	""	"178103273"	"3826"	""	""	"CHEMBL469"	""	""	""	""	"5-(benzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid"	"ketorolac"	"Acular&reg;|Toradol&reg;"	"OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1"	"OZWKMVRBQXNZKK-UHFFFAOYSA-N"	"InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)"	"yes"	""	""
"7206"	"ketotifen"	""	"Synthetic organic"	"yes"	""	""	""	"178103781"	"3827"	""	""	"CHEMBL534"	""	""	""	""	"10-(1-methylpiperidin-4-ylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one"	"ketotifen"	"HC-20511|Zaditor&reg;"	"CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1"	"ZCVMWBYGMWKGHF-UHFFFAOYSA-N"	"InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3"	""	""	""
"12653"	"keverprazan"	""	"Synthetic organic"	"yes"	""	""	""	"483123201"	"132164139"	""	""	""	""	""	""	""	"1-[5-(2-fluorophenyl)-1-[3-(3-methoxypropoxy)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine"	""	"Example 1 [WO2016119505A1]|Keprason&reg;"	"CNCC1=CN(C(=C1)C2=C(F)C=CC=C2)S(=O)(=O)C3=CC=CC(OCCCOC)=C3"	"UDHVRDAZIAGHFG-UHFFFAOYSA-N"	"InChI=1S/C22H25FN2O4S/c1-24-15-17-13-22(20-9-3-4-10-21(20)23)25(16-17)30(26,27)19-8-5-7-18(14-19)29-12-6-11-28-2/h3-5,7-10,13-14,16,24H,6,11-12,15H2,1-2H3"	""	""	""
"428"	"KF 17837S"	""	"Synthetic organic"	""	""	""	""	"135650455"	"123739"	""	""	""	""	""	""	""	"8-(3,4-dimethoxyphenyl)-7-methyl-1,3-dipropylpurine-2,6-dione"	""	""	"CCCn1c(=O)n(CCC)c(=O)c2c1nc(n2C)c1ccc(c(c1)OC)OC"	"FSUNYKAEJIVAHY-UHFFFAOYSA-N"	"InChI=1S/C20H26N4O4/c1-6-10-23-18-16(19(25)24(11-7-2)20(23)26)22(3)17(21-18)13-8-9-14(27-4)15(12-13)28-5/h8-9,12H,6-7,10-11H2,1-5H3"	""	""	""
"4734"	"KF24345"	""	"Synthetic organic"	""	""	""	""	"178101445"	"9938824"	""	""	"CHEMBL1628532"	""	""	""	""	"3-{1-[6,7-diethoxy-2-(morpholin-4-yl)quinazolin-4-yl]piperidin-4-yl}-1,6-dimethyl-1,2,3,4-tetrahydroquinazoline-2,4-dione"	""	"KF 24345|KF-24345"	"CCOc1cc2c(cc1OCC)nc(nc2N1CCC(CC1)n1c(=O)c2cc(C)ccc2n(c1=O)C)N1CCOCC1"	"MXOWYPVUVPQDNZ-UHFFFAOYSA-N"	"InChI=1S/C31H38N6O5/c1-5-41-26-18-22-24(19-27(26)42-6-2)32-30(36-13-15-40-16-14-36)33-28(22)35-11-9-21(10-12-35)37-29(38)23-17-20(3)7-8-25(23)34(4)31(37)39/h7-8,17-19,21H,5-6,9-16H2,1-4H3"	""	""	""
"5618"	"KF26777"	""	"Synthetic organic"	""	""	""	""	"178102252"	"135409562"	""	""	"CHEMBL2181965"	""	""	""	""	"2-(4-bromophenyl)-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one"	""	"KF 26777"	"CCCn1c2nc([nH]c2c2=NCCn2c1=O)c1ccc(cc1)Br"	"GYGNZJDWTHECQT-UHFFFAOYSA-N"	"InChI=1S/C16H16BrN5O/c1-2-8-21-15-12(14-18-7-9-22(14)16(21)23)19-13(20-15)10-3-5-11(17)6-4-10/h3-6H,2,7-9H2,1H3,(H,19,20)"	""	""	""
"6533"	"KGP94"	""	"Synthetic organic"	""	""	""	""	"178103147"	"52944285"	""	""	"CHEMBL1269632"	""	""	""	""	"[(E)-[(3-bromophenyl)(3-hydroxyphenyl)methylidene]amino]thiourea"	""	""	"NC(=S)N/N=C(/c1cccc(c1)Br)\c1cccc(c1)O"	"ZDBKSZKTCPOBFR-LGMDPLHJSA-N"	"InChI=1S/C14H12BrN3OS/c15-11-5-1-3-9(7-11)13(17-18-14(16)20)10-4-2-6-12(19)8-10/h1-8,19H,(H3,16,18,20)/b17-13-"	""	""	""
"6703"	"KH064"	""	"Synthetic organic"	""	""	""	""	"178103314"	"446400"	""	""	"CHEMBL1084102"	""	""	""	""	"(4S)-4-(7-phenylheptanoylamino)-5-[4-(phenylmethoxy)phenyl]pentanoic acid"	""	"sPLA<sub>2</sub>-2A inhibitor,  compound 2b"	"OC(=O)CC[C@@H](Cc1ccc(cc1)OCc1ccccc1)NC(=O)CCCCCCc1ccccc1"	"KWLUIYFCMHKLKY-NDEPHWFRSA-N"	"InChI=1S/C31H37NO4/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)23-26-17-20-29(21-18-26)36-24-27-14-8-4-9-15-27/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1"	""	""	""
"5306"	"KH28"	""	"Peptide"	""	""	""	""	"178101988"	"0"	""	""	""	""	""	""	""	""	""	"KH 28|KH-28"	""	""	""	""	""	""
"10216"	"KH7"	""	"Synthetic organic"	""	""	""	""	"381744898"	"135496218"	""	""	""	""	""	""	""	"2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-[(~{E})-(5-bromo-2-hydroxyphenyl)methylideneamino]propanamide"	""	"KH 7|KH-7"	"Brc1ccc(c(c1)/C=N/NC(=O)C(Sc1nc2c([nH]1)cccc2)C)O"	"WILMXUAKQKGGCC-DJKKODMXSA-N"	"InChI=1S/C17H15BrN4O2S/c1-10(25-17-20-13-4-2-3-5-14(13)21-17)16(24)22-19-9-11-8-12(18)6-7-15(11)23/h2-10,23H,1H3,(H,20,21)(H,22,24)/b19-9+"	""	"yes"	""
"8055"	"KH-CB19"	""	"Synthetic organic"	""	""	""	""	"249565735"	"44237094"	""	""	"CHEMBL1236620"	""	""	""	""	"ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methylindole-2-carboxylate"	""	"KH CB19"	"CCOC(=O)c1c(/C(=C\N)/C#N)c2c(n1C)c(Cl)c(cc2)Cl"	"CXJCGSPAPOTTSF-VURMDHGXSA-N"	"InChI=1S/C15H13Cl2N3O2/c1-3-22-15(21)14-11(8(6-18)7-19)9-4-5-10(16)12(17)13(9)20(14)2/h4-6H,3,18H2,1-2H3/b8-6-"	""	""	""
"2907"	"Ki16425"	""	"Synthetic organic"	""	""	""	""	"135650457"	"10367662"	""	""	""	""	""	""	""	"3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoic acid"	""	""	"OC(=O)CCSCc1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1Cl)C)C"	"LLIFMNUXGDHTRO-UHFFFAOYSA-N"	"InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)"	""	""	""
"5690"	"Ki-20227"	""	"Synthetic organic"	""	""	""	""	"178102317"	"9869779"	""	""	"CHEMBL1908396"	""	""	""	""	"1-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-2-methoxyphenyl}-3-[1-(1,3-thiazol-2-yl)ethyl]urea"	""	"Ki 20227|Ki20227"	"COc1cc(ccc1NC(=O)NC(c1nccs1)C)Oc1ccnc2c1cc(OC)c(c2)OC"	"SHPFDGWALWEPGS-UHFFFAOYSA-N"	"InChI=1S/C24H24N4O5S/c1-14(23-26-9-10-34-23)27-24(29)28-17-6-5-15(11-20(17)30-2)33-19-7-8-25-18-13-22(32-4)21(31-3)12-16(18)19/h5-14H,1-4H3,(H2,27,28,29)"	""	""	""
"11016"	"kibdelomycin A"	""	"Natural product"	""	""	""	""	"405560457"	"71457656"	""	""	"CHEMBL2205317"	""	""	""	""	"[(2S,3S,4S,5S,6R)-2-[(3Z,5S)-3-[[(2S,4aR,5R,8aS)-5-[(2R,4R,5R,6R)-4-[(1S)-1-[(3,4-dichloro-1H-pyrrole-2-carbonyl)amino]ethyl]-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-8-methylidene-2,4a,5,6,7,8a-hexahydro-1H-naphthalen-1-yl]-hydroxymethylidene]-2,4-dioxo-5-propan-2-ylpyrrolidin-1-yl]-5-carbamoyloxy-3-methoxy-6-methyloxan-4-yl] acetate"	""	""	"CO[C@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)N)[C@H](O[C@@H]1N1C(=O)/C(=C(/C2[C@@H](C)C=C[C@@H]3[C@@H]2C(=C)CC[C@H]3O[C@@H]2O[C@H](C)[C@H]([C@](C2)(O)[C@@H](NC(=O)c2[nH]cc(c2Cl)Cl)C)O)\O)/C(=O)[C@@H]1C(C)C)C"	"ZPMXCTSMZFCELU-DEIVJSAASA-N"	"InChI=1S/C43H58Cl2N4O14/c1-16(2)32-34(52)29(40(55)49(32)41-37(58-9)36(61-22(8)50)35(19(5)60-41)63-42(46)56)33(51)28-18(4)10-12-23-25(13-11-17(3)27(23)28)62-26-14-43(57,38(53)20(6)59-26)21(7)48-39(54)31-30(45)24(44)15-47-31/h10,12,15-16,18-21,23,25-28,32,35-38,41,47,51,53,57H,3,11,13-14H2,1-2,4-9H3,(H2,46,56)(H,48,54)/b33-29-/t18-,19+,20+,21-,23-,25+,26-,27-,28?,32-,35-,36-,37-,38+,41-,43+/m0/s1"	""	""	"yes"
"13866"	"KI-CDK9d-32"	""	"Synthetic organic"	""	""	""	""	"513757551"	"175670499"	""	""	""	""	""	""	""	""	""	""	"CCCC1=NC2=CC=NN2C(N[C@@H]3CC[C@H](C3)NC(=O)C4=CC=C(CN5CCN(CC5)C6=CC7=C(C=C6)C(=O)N(C7)C8CCC(=O)NC8=O)C=C4)=C1"	"DQQMOQXMKRXELC-XMOVUWPTSA-N"	"InChI=1S/C39H45N9O4/c1-2-3-28-22-35(48-34(41-28)14-15-40-48)42-29-8-9-30(21-29)43-37(50)26-6-4-25(5-7-26)23-45-16-18-46(19-17-45)31-10-11-32-27(20-31)24-47(39(32)52)33-12-13-36(49)44-38(33)51/h4-7,10-11,14-15,20,22,29-30,33,42H,2-3,8-9,12-13,16-19,21,23-24H2,1H3,(H,43,50)(H,44,49,51)/t29-,30-,33?/m1/s1"	""	""	""
"13940"	"KIN-8741"	""	"Synthetic organic"	""	""	""	""	"513757625"	"168842984"	""	""	""	""	""	""	""	"N-[3,5-difluoro-4-[6-[(2S)-1-hydroxypropan-2-yl]oxy-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide"	""	"compound 9 [PMID: 40459881]"	"FC1=CC(NC(C2=C(OC)C=CN=C2)=O)=CC(F)=C1OC3=CC=NC4=CC(OC)=C(O[C@@H](C)CO)C=C43"	"GCIKJNJUNJFZPR-AWEZNQCLSA-N"	"InChI=1S/C26H23F2N3O6/c1-14(13-32)36-24-10-16-20(11-23(24)35-3)30-7-5-22(16)37-25-18(27)8-15(9-19(25)28)31-26(33)17-12-29-6-4-21(17)34-2/h4-12,14,32H,13H2,1-3H3,(H,31,33)/t14-/m0/s1"	""	""	""
"10081"	"kinase inhibitor 2 [PMID: 30199702]"	""	"Synthetic organic"	""	""	""	""	"375973268"	"134813913"	""	""	""	""	""	""	""	"8-(propan-2-yl)-N4-{[4-(pyridin-2-yl)phenyl]methyl}-N2-[(1r,4r)-4-aminocyclohexyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine"	""	""	"N[C@@H]1CC[C@H](CC1)Nc1nc(NCc2ccc(cc2)c2ccccn2)n2c(n1)c(cn2)C(C)C"	"PRJNNPMIUGYOST-MEMLXQNLSA-N"	"InChI=1S/C26H32N8/c1-17(2)22-16-30-34-24(22)32-25(31-21-12-10-20(27)11-13-21)33-26(34)29-15-18-6-8-19(9-7-18)23-5-3-4-14-28-23/h3-9,14,16-17,20-21H,10-13,15,27H2,1-2H3,(H2,29,31,32,33)/t20-,21-"	""	""	""
"3711"	"kisspeptin-10"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651796"	"0"	"Q7TSB7|Q6Y4S4"	"ENSMUSG00000116158|ENSRNOG00000047481"	""	""	""	""	""	""	""	"KP-10"	""	""	""	""	""	""
"1283"	"kisspeptin-10"	"Human"	"Peptide"	""	""	""	""	"135651795"	"25240297"	""	"ENSG00000170498"	"CHEMBL376756"	""	""	""	""	""	""	"KP-10|KP10"	"OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CCCN=C(N)N)CC(C)C)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CC(=O)N)CC(=O)N"	"RITKWYDZSSQNJI-INXYWQKQSA-N"	"InChI=1S/C63H83N17O14/c1-34(2)24-45(58(90)74-43(18-11-23-70-63(68)69)57(89)75-44(54(67)86)26-35-12-5-3-6-13-35)73-53(85)32-72-56(88)46(27-36-14-7-4-8-15-36)77-62(94)50(33-81)80-61(93)49(30-52(66)84)79-59(91)47(28-38-31-71-42-17-10-9-16-40(38)42)78-60(92)48(29-51(65)83)76-55(87)41(64)25-37-19-21-39(82)22-20-37/h3-10,12-17,19-22,31,34,41,43-50,71,81-82H,11,18,23-30,32-33,64H2,1-2H3,(H2,65,83)(H2,66,84)(H2,67,86)(H,72,88)(H,73,85)(H,74,90)(H,75,89)(H,76,87)(H,77,94)(H,78,92)(H,79,91)(H,80,93)(H4,68,69,70)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1"	""	""	""
"1284"	"kisspeptin-13"	"Human"	"Peptide"	""	""	""	""	"135651797"	"101134421"	"Q15726"	"ENSG00000170498"	""	""	""	""	""	""	""	"KP-13|KP13"	""	""	""	""	""	""
"1285"	"kisspeptin-14"	"Human"	"Peptide"	""	""	""	""	"135651798"	"0"	"Q15726"	"ENSG00000170498"	""	""	""	""	""	""	""	"KP-14"	""	""	""	""	""	""
"1286"	"kisspeptin-15"	""	"Peptide"	""	""	""	""	"135652242"	"155817401"	""	""	""	""	""	""	""	""	""	"KP-15"	"CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"	"UPGGDOAAEKSKQI-UGPGGNGJSA-N"	"InChI=1S/C88H123N23O23/c1-46(2)33-57(77(123)100-56(24-15-31-96-88(94)95)76(122)109-66(87(133)134)37-49-19-9-6-10-20-49)99-72(117)44-98-75(121)58(35-48-17-7-5-8-18-48)102-84(130)67(45-112)110-82(128)62(40-70(92)115)106-79(125)60(38-51-43-97-55-23-12-11-21-53(51)55)104-80(126)61(39-69(91)114)105-78(124)59(36-50-26-28-52(113)29-27-50)103-81(127)63(41-71(93)116)107-85(131)68-25-16-32-111(68)86(132)65(34-47(3)4)108-83(129)64(42-73(118)119)101-74(120)54(90)22-13-14-30-89/h5-12,17-21,23,26-29,43,46-47,54,56-68,97,112-113H,13-16,22,24-25,30-42,44-45,89-90H2,1-4H3,(H2,91,114)(H2,92,115)(H2,93,116)(H,98,121)(H,99,117)(H,100,123)(H,101,120)(H,102,130)(H,103,127)(H,104,126)(H,105,124)(H,106,125)(H,107,131)(H,108,129)(H,109,122)(H,110,128)(H,118,119)(H,133,134)(H4,94,95,96)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1"	""	""	""
"1287"	"kisspeptin-28"	""	"Peptide"	""	""	""	""	"135652243"	"155817402"	""	""	""	""	""	""	""	""	""	"KP-28"	"CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)O"	"ZVRORVZRRLARFN-PSGMQYSGSA-N"	"InChI=1S/C119H190N36O42/c1-9-59(6)92(117(195)155-41-17-25-84(155)118(196)197)148-98(176)65(27-31-86(122)165)135-95(173)63(18-10-34-127-119(124)125)134-103(181)73(51-158)144-101(179)70(44-62-46-126-56-130-62)140-109(187)79-20-12-35-149(79)111(189)60(7)131-102(180)72(50-157)143-99(177)68(42-57(2)3)132-89(168)48-129-106(184)78-19-11-36-150(78)112(190)67(28-32-87(123)166)138-96(174)64(26-30-85(121)164)136-107(185)80-21-13-37-151(80)113(191)76(54-161)133-90(169)47-128-94(172)71(49-156)141-105(183)74(52-159)142-97(175)66(29-33-91(170)171)137-108(186)81-22-14-38-152(81)115(193)83-24-16-40-154(83)116(194)82-23-15-39-153(82)114(192)77(55-162)146-100(178)69(43-58(4)5)139-104(182)75(53-160)145-110(188)93(61(8)163)147-88(167)45-120/h46,56-61,63-84,92-93,156-163H,9-45,47-55,120H2,1-8H3,(H2,121,164)(H2,122,165)(H2,123,166)(H,126,130)(H,128,172)(H,129,184)(H,131,180)(H,132,168)(H,133,169)(H,134,181)(H,135,173)(H,136,185)(H,137,186)(H,138,174)(H,139,182)(H,140,187)(H,141,183)(H,142,175)(H,143,177)(H,144,179)(H,145,188)(H,146,178)(H,147,167)(H,148,176)(H,170,171)(H,196,197)(H4,124,125,127)/t59-,60-,61+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,92-,93-/m0/s1"	""	""	""
"3709"	"kisspeptin-52"	"Mouse"	"Peptide"	""	""	""	""	"135651799"	"0"	"Q6Y4S4"	"ENSMUSG00000116158"	""	""	""	""	""	""	""	"KP-52"	""	""	""	""	""	""
"3710"	"kisspeptin-52"	"Rat"	"Peptide"	""	""	""	""	"135651800"	"0"	"Q7TSB7"	"ENSRNOG00000047481"	""	""	""	""	""	""	""	"KP-52"	""	""	""	""	""	""
"1288"	"kisspeptin-54"	"Human"	"Peptide"	""	""	""	""	"135651801"	"0"	"Q15726"	"ENSG00000170498"	""	""	""	""	""	""	""	"KP-54|KP54|metastin"	""	""	""	""	""	""
"1289"	"kisspeptin-9"	""	"Peptide"	""	""	""	""	"135652244"	"155817403"	""	""	""	""	""	""	""	""	""	"KP-9"	"CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O"	"ANGOCTQQCKYVPZ-FTBSUAHMSA-N"	"InChI=1S/C38H61N9O15/c1-19(2)15-22(41-32(55)23(17-48)42-34(57)30(20(3)50)44-28(51)16-39)31(54)43-24(18-49)35(58)46-13-5-8-26(46)37(60)47-14-6-9-27(47)36(59)45-12-4-7-25(45)33(56)40-21(38(61)62)10-11-29(52)53/h19-27,30,48-50H,4-18,39H2,1-3H3,(H,40,56)(H,41,55)(H,42,57)(H,43,54)(H,44,51)(H,52,53)(H,61,62)/t20-,21+,22+,23+,24+,25+,26+,27+,30+/m1/s1"	""	""	""
"8609"	"KL044"	""	"Synthetic organic"	""	""	""	""	"252166810"	"91827381"	""	""	""	""	""	""	""	"2-(9H-carbazol-9-yl)-N-(2-chloro-6-cyanophenyl)acetamide"	""	"KL-044"	"N#Cc1cccc(c1NC(=O)Cn1c2ccccc2c2c1cccc2)Cl"	"ZDAKKNHUWVTCRS-UHFFFAOYSA-N"	"InChI=1S/C21H14ClN3O/c22-17-9-5-6-14(12-23)21(17)24-20(26)13-25-18-10-3-1-7-15(18)16-8-2-4-11-19(16)25/h1-11H,13H2,(H,24,26)"	""	""	""
"4234"	"KM11060"	""	"Synthetic organic"	""	""	""	""	"178101051"	"1241327"	""	""	"CHEMBL1905600"	""	""	""	""	"7-chloro-4-{4-[(4-chlorobenzene)sulfonyl]piperazin-1-yl}quinoline"	""	"KM 11060|KM-11060"	"Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccnc2c1ccc(c2)Cl"	"GIEHIZKCIZLXLF-UHFFFAOYSA-N"	"InChI=1S/C19H17Cl2N3O2S/c20-14-1-4-16(5-2-14)27(25,26)24-11-9-23(10-12-24)19-7-8-22-18-13-15(21)3-6-17(18)19/h1-8,13H,9-12H2"	""	""	""
"8702"	"KML110"	""	"Synthetic organic"	""	""	""	""	"252166902"	"91827387"	""	""	""	""	""	""	""	""	""	""	"CN1CCN(CC1)C(=O)C1=C(c2ccccc2)c2c(C1C)ccc(c2)[N+](=O)[O-]"	"BBPOBHFPZPRPGB-UHFFFAOYSA-N"	"InChI=1S/C22H23N3O3/c1-15-18-9-8-17(25(27)28)14-19(18)21(16-6-4-3-5-7-16)20(15)22(26)24-12-10-23(2)11-13-24/h3-9,14-15H,10-13H2,1-2H3"	""	""	""
"9482"	"KML29"	""	"Synthetic organic"	""	""	""	""	"329968422"	"71656212"	""	""	""	""	""	""	""	"1,1,1,3,3,3-hexafluoropropan-2-yl 4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]piperidine-1-carboxylate"	""	""	"O=C(N1CCC(CC1)C(c1ccc2c(c1)OCO2)(c1ccc2c(c1)OCO2)O)OC(C(F)(F)F)C(F)(F)F"	"SXHQLPHDBLTFPM-UHFFFAOYSA-N"	"InChI=1S/C24H21F6NO7/c25-23(26,27)20(24(28,29)30)38-21(32)31-7-5-13(6-8-31)22(33,14-1-3-16-18(9-14)36-11-34-16)15-2-4-17-19(10-15)37-12-35-17/h1-4,9-10,13,20,33H,5-8,11-12H2"	"yes"	""	""
"12521"	"KMN-159"	""	"Synthetic organic"	""	""	""	""	"479821311"	"72722131"	""	""	"CHEMBL3918816"	""	""	""	""	""	""	"compound 8 [PMID: 30964292]"	"FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F"	"ZSUOOBFOIDLLEI-GPVXIOJZSA-N"	"InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1"	""	""	""
"8896"	"KMUP-1"	""	"Synthetic organic"	""	""	""	""	"310264677"	"10453764"	""	""	""	""	""	""	""	"7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione"	""	"KMUP 1"	"Clc1ccccc1N1CCN(CC1)CCn1cnc2c1c(=O)n(C)c(=O)n2C"	"NIDVDYQCGWISJZ-UHFFFAOYSA-N"	"InChI=1S/C19H23ClN6O2/c1-22-17-16(18(27)23(2)19(22)28)26(13-21-17)12-9-24-7-10-25(11-8-24)15-6-4-3-5-14(15)20/h3-6,13H,7-12H2,1-2H3"	""	""	""
"6001"	"KN-62"	""	"Synthetic organic"	""	""	""	""	"178102623"	"16760529"	""	""	""	""	""	""	""	"S-(isoquinolin-5-yl)-3-(4-{[(isoquinolin-5-yloxy)sulfanyl]peroxy}phenyl)-N-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)propane-2-sulfonamido"	""	"KN-62 (non-isomeric)"	"O=C(C(N(S(=O)(=O)c1cccc2c1ccnc2)C)Cc1ccc(cc1)OOSOc1cccc2c1ccnc2)N1CCN(CC1)c1ccccc1"	"BLLBARDQJSOSJD-UHFFFAOYSA-N"	"InChI=1S/C38H35N5O6S2/c1-41(51(45,46)37-12-6-8-30-27-40-20-18-34(30)37)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)47-49-50-48-36-11-5-7-29-26-39-19-17-33(29)36/h2-20,26-27,35H,21-25H2,1H3"	""	""	""
"4235"	"KN62"	""	"Synthetic organic"	""	""	""	""	"178101052"	"5312126"	""	""	"CHEMBL28324"	""	""	""	""	"4-[(2S)-2-(N-methylisoquinoline-5-sulfonamido)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl isoquinoline-5-sulfonate"	""	"KN 62|KN-62|KN62 (S isomer)"	"O=C([C@@H](N(S(=O)(=O)c1cccc2c1ccnc2)C)Cc1ccc(cc1)OS(=O)(=O)c1cccc2c1ccnc2)N1CCN(CC1)c1ccccc1"	"RJVLFQBBRSMWHX-DHUJRADRSA-N"	"InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1"	""	""	""
"6002"	"KN-93"	""	"Synthetic organic"	""	""	""	""	"178102624"	"5312122"	""	""	"CHEMBL155333"	""	""	""	""	"N-[2-({[(2E)-3-(4-chlorophenyl)prop-2-en-1-yl](methyl)amino}methyl)phenyl]-2-hydroxy-S'-(4-methoxyphenyl)ethane-1-sulfonamido"	""	""	"OCCN(S(=O)(=O)c1ccc(cc1)OC)c1ccccc1CN(C/C=C/c1ccc(cc1)Cl)C"	"LLLQTDSSHZREGW-AATRIKPKSA-N"	"InChI=1S/C26H29ClN2O4S/c1-28(17-5-6-21-9-11-23(27)12-10-21)20-22-7-3-4-8-26(22)29(18-19-30)34(31,32)25-15-13-24(33-2)14-16-25/h3-16,30H,17-20H2,1-2H3/b6-5+"	""	""	""
"10007"	"Ko 143"	""	"Synthetic organic"	""	""	""	""	"374883894"	"10322450"	""	""	""	""	""	""	""	"(3S,6S,12aS)-1,2,3,4,6,7,12,12a-Octahydro-9-methoxy-6-(2-methylpropyl)-1,4-dioxopyrazino[1',2':1,6]pyrido[3,4-b]indole-3-propanoic acid 1,1-dimethylethyl ester"	""	"Ko-143|Ko143"	"COc1ccc2c(c1)[nH]c1c2C[C@@H]2N([C@H]1CC(C)C)C(=O)[C@@H](NC2=O)CCC(=O)OC(C)(C)C"	"NXNRAECHCJZNRF-JBACZVJFSA-N"	"InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1"	""	""	""
"9976"	"KO-947"	""	"Synthetic organic"	""	""	""	""	"374883863"	"136653617"	""	""	""	""	""	""	""	"6-benzyl-3-pyridin-4-yl-2,5-dihydro-1H-pyrazolo[4,3-g]quinazolin-7-one"	""	"KO947"	"O=C1Nc2cc3[nH]nc(c3cc2CN1Cc1ccccc1)c1ccncc1"	"ODIUJYZERXVGEI-UHFFFAOYSA-N"	"InChI=1S/C21H17N5O/c27-21-23-18-11-19-17(20(25-24-19)15-6-8-22-9-7-15)10-16(18)13-26(21)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,23,27)(H,24,25)"	""	""	""
"1446"	"KOS1326"	""	"Synthetic organic"	""	""	""	""	"135652697"	"10259168"	""	""	"CHEMBL51522"	""	""	""	""	"(1R,2R,3S,4S,5R,8R,9S,10R,11R)-2-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-9,10-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one"	""	"4'' deoxy EM-A enolether"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@](C2)(C)OC)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C"	"UJUXMUPAZCCNTJ-ANUGEFLXSA-N"	"InChI=1S/C37H65NO11/c1-14-26-37(10,42)31(40)22(5)29-19(2)16-36(9,49-29)32(48-34-28(39)25(38(11)12)15-20(3)45-34)23(6)30(24(7)33(41)46-26)47-27-18-35(8,43-13)17-21(4)44-27/h20-28,30-32,34,39-40,42H,14-18H2,1-13H3/t20-,21+,22+,23+,24-,25+,26-,27+,28-,30+,31-,32-,34+,35+,36-,37-/m1/s1"	""	""	""
"14361"	"KP-736"	""	"Synthetic organic"	""	""	""	""	"523352153"	"9690115"	""	""	""	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridin-2-yl)methoxyimino]acetyl]amino]-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	""	""	"C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\OCC3=CC(=O)C(=CN3O)O)/C4=CSC(=N4)N)C(=O)O)CSC5=CN=NS5"	"PKNTVKPWSREWQQ-ARLAXHMGSA-N"	"InChI=1S/C21H18N8O8S4/c22-21-24-10(7-40-21)14(26-37-4-9-1-11(30)12(31)3-28(9)36)17(32)25-15-18(33)29-16(20(34)35)8(6-39-19(15)29)5-38-13-2-23-27-41-13/h1-3,7,15,19,31,36H,4-6H2,(H2,22,24)(H,25,32)(H,34,35)/b26-14-/t15-,19-/m1/s1"	""	""	"yes"
"10698"	"KPR-5714"	""	"Synthetic organic"	""	""	""	""	"404859145"	"135138454"	""	""	""	""	""	""	""	""	""	"KPR 5714|KPR5714"	"OCC([C@H](NC(=O)c1cccc(c1c1[nH]nc(c1)c1ccc(cc1)F)F)Cn1nccn1)(F)F"	"UEPRFRHXFVOHAM-LJQANCHMSA-N"	"InChI=1S/C22H18F4N6O2/c23-14-6-4-13(5-7-14)17-10-18(31-30-17)20-15(2-1-3-16(20)24)21(34)29-19(22(25,26)12-33)11-32-27-8-9-28-32/h1-10,19,33H,11-12H2,(H,29,34)(H,30,31)/t19-/m1/s1"	""	""	""
"8020"	"K-Ras(G12C) inhibitor 12"	""	"Synthetic organic"	""	""	""	""	"249565700"	"73555129"	""	""	""	""	""	""	""	"1-(4-{2-[(4-chloro-2-hydroxy-5-iodophenyl)amino]acetyl}piperazin-1-yl)prop-2-en-1-one"	""	""	"C=CC(=O)N1CCN(CC1)C(=O)CNc1cc(I)c(cc1O)Cl"	"JFIFBWVNHLXJFY-UHFFFAOYSA-N"	"InChI=1S/C15H17ClIN3O3/c1-2-14(22)19-3-5-20(6-4-19)15(23)9-18-12-8-11(17)10(16)7-13(12)21/h2,7-8,18,21H,1,3-6,9H2"	""	""	""
"8021"	"K-Ras(G12C) inhibitor 6"	""	"Synthetic organic"	""	""	""	""	"249565701"	"91623354"	""	""	""	""	""	""	""	"N-{1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}butanamide"	""	""	"CCCC(=O)NC1CCN(CC1)C(=O)COc1ccc(cc1Cl)Cl"	"XXJPOZZXKREAIA-UHFFFAOYSA-N"	"InChI=1S/C17H22Cl2N2O3/c1-2-3-16(22)20-13-6-8-21(9-7-13)17(23)11-24-15-5-4-12(18)10-14(15)19/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,20,22)"	""	""	""
"8022"	"K-Ras(G12C) inhibitor 9"	""	"Synthetic organic"	""	""	""	""	"249565702"	"71761630"	""	""	""	""	""	""	""	"N-(1-{2-[(4-chloro-5-iodo-2-methoxyphenyl)amino]acetyl}piperidin-4-yl)ethene-1-sulfonamide"	""	""	"COc1cc(Cl)c(cc1NCC(=O)N1CCC(CC1)NS(=O)(=O)C=C)I"	"ZGUSBCDCZNBNQT-UHFFFAOYSA-N"	"InChI=1S/C16H21ClIN3O4S/c1-3-26(23,24)20-11-4-6-21(7-5-11)16(22)10-19-14-9-13(18)12(17)8-15(14)25-2/h3,8-9,11,19-20H,1,4-7,10H2,2H3"	""	""	""
"3702"	"kremen 1"	"Human"	"Peptide"	""	""	""	""	"178100591"	"0"	"Q96MU8"	"ENSG00000183762"	""	""	""	""	""	""	""	"Dickkopf receptor|Kringle domain-containing transmembrane protein 1|Kringle-containing protein marking the eye and the nose"	""	""	""	""	""	""
"3703"	"kremen 2"	"Human"	"Peptide"	""	""	""	""	"178100592"	"0"	"Q8NCW0"	"ENSG00000131650"	""	""	""	""	""	""	""	"Dickkopf receptor 2|Kremen protein 2|Kringle domain-containing transmembrane protein 2|Kringle-containing protein marking the eye and the nose"	""	""	""	""	""	""
"12552"	"KS0365"	""	"Synthetic organic"	""	""	""	""	"479821342"	"167993653"	""	""	""	""	""	""	""	"2-(2-chloro-3-isopropylcyclopent-2-en-1-yl)-4-methylphenol"	""	""	"ClC=1C(CCC1C(C)C)C2=C(C=CC(=C2)C)O"	"OSGBHOYVDQQKET-UHFFFAOYSA-N"	"InChI=1S/C15H19ClO/c1-9(2)11-5-6-12(15(11)16)13-8-10(3)4-7-14(13)17/h4,7-9,12,17H,5-6H2,1-3H3"	""	""	""
"10006"	"KS 176"	""	"Synthetic organic"	""	""	""	""	"374883893"	"49779726"	""	""	""	""	""	""	""	"N-[4-(2-Hydroxyethyl)phenyl]-2-[(4-nitrobenzoyl)amino]benzamide"	""	"KS-176|KS176"	"OCCc1ccc(cc1)NC(=O)c1ccccc1NC(=O)c1ccc(cc1)[N+](=O)[O-]"	"LTWQQWSXYYXVGA-UHFFFAOYSA-N"	"InChI=1S/C22H19N3O5/c26-14-13-15-5-9-17(10-6-15)23-22(28)19-3-1-2-4-20(19)24-21(27)16-7-11-18(12-8-16)25(29)30/h1-12,26H,13-14H2,(H,23,28)(H,24,27)"	""	""	""
"14654"	"KSN-159-27"	""	"Synthetic organic"	""	""	""	""	"530846902"	"179075712"	""	""	""	""	""	""	""	""	""	""	"C=1C=2C=CC=CC2C=CC1NC(=O)NC=3C=CC=CC3OC=4N(C=5C(Cl)=CC=CC5)N=C(C)C4"	"PDDFXOIIZXICEQ-UHFFFAOYSA-N"	"InChI=1S/C27H21ClN4O2/c1-18-16-26(32(31-18)24-12-6-4-10-22(24)28)34-25-13-7-5-11-23(25)30-27(33)29-21-15-14-19-8-2-3-9-20(19)17-21/h2-17H,1H3,(H2,29,30,33)"	"yes"	""	""
"13547"	"KSP-1007"	""	"Synthetic organic"	""	""	""	""	"500839957"	"149866877"	""	""	""	""	""	""	""	"7-({1-[(2R)-2-amino-2-(1H-imidazol-4-yl)acetyl]azetidin-3-yl}oxy)-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid"	""	""	"C1=CC(=C(C2=C1CCB(O)O2)C(=O)O)OC3CN(C3)C(=O)[C@@H](C4=CNC=N4)N"	"CAHUDGVGUAJGGS-CQSZACIVSA-N"	"InChI=1S/C17H19BN4O6/c19-14(11-5-20-8-21-11)16(23)22-6-10(7-22)27-12-2-1-9-3-4-18(26)28-15(9)13(12)17(24)25/h1-2,5,8,10,14,26H,3-4,6-7,19H2,(H,20,21)(H,24,25)/t14-/m1/s1"	""	""	"yes"
"11964"	"KSQ-4279"	""	"Synthetic organic"	""	""	""	""	"464244105"	"150782011"	""	""	""	""	""	""	""	"6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine"	""	"example 143 [WO2020132269A1]|KSQ4279|RO-7623066|RO7623066|USP1-IN-1"	"COc1ncnc(C2CC2)c1c1nc2c(cnn2Cc2ccc(cc2)c2nc(cn2C(C)C)C(F)(F)F)cn1"	"KCBWAFJCKVKYHO-UHFFFAOYSA-N"	"InChI=1S/C27H25F3N8O/c1-15(2)37-13-20(27(28,29)30)35-24(37)18-6-4-16(5-7-18)12-38-25-19(11-34-38)10-31-23(36-25)21-22(17-8-9-17)32-14-33-26(21)39-3/h4-7,10-11,13-15,17H,8-9,12H2,1-3H3"	""	""	""
"2381"	"K<sup>+</sup>"	""	"Inorganic"	""	""	""	""	"135652739"	"813"	""	""	""	""	""	""	""	""	""	"potassium ion"	""	""	""	""	""	""
"10245"	"KT-109"	""	"Synthetic organic"	""	""	""	""	"381744927"	"53364540"	""	""	"CHEMBL2144065"	""	""	""	""	""	""	"KT109"	"O=C(N1CCCCC1Cc1ccccc1)n1nnc(c1)c1ccc(cc1)c1ccccc1"	"JKJMWHULJIOKPJ-UHFFFAOYSA-N"	"InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2"	"yes"	""	""
"13369"	"KT-333"	""	"Synthetic organic"	""	""	""	""	"496703339"	"171663344"	""	""	""	""	""	""	""	""	""	""	"C[C@H](NC(=O)C1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCC2=C(Cl)C(OC[C@H](CCC(N)=O)NC(=O)C3CC[C@@H]4CCN(C[C@H](NC(=O)C5=CC6=C(N5)C=CC(=C6)C(=O)P(O)(O)=O)C(=O)N34)C(C)=O)=CC=C2)C(C)(C)C)C7=CC=C(C=C7)C8=C(C)N=CS8"	"OANZCHOMQTZJOO-GKGQXZCKSA-N"	"InChI=1S/C60H74ClN10O14PS/c1-32(35-13-15-37(16-14-35)52-33(2)63-31-87-52)64-56(78)47-27-42(73)28-70(47)58(80)53(60(4,5)6)68-50(75)12-8-10-36-9-7-11-48(51(36)61)85-30-40(18-22-49(62)74)65-55(77)46-21-19-41-23-24-69(34(3)72)29-45(57(79)71(41)46)67-54(76)44-26-39-25-38(17-20-43(39)66-44)59(81)86(82,83)84/h7,9,11,13-17,20,25-26,31-32,40-42,45-47,53,66,73H,8,10,12,18-19,21-24,27-30H2,1-6H3,(H2,62,74)(H,64,78)(H,65,77)(H,67,76)(H,68,75)(H2,82,83,84)/t32-,40-,41+,42+,45-,46?,47?,53+/m0/s1"	""	""	""
"337"	"KT 5720"	""	"Synthetic organic"	""	""	""	""	"135652698"	"16219545"	""	""	""	""	""	""	""	"hexyl (15R,16R,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8,10,12,20,22,24-nonaene-16-carboxylate"	""	"KT5720"	"CCCCCCOC(=O)[C@@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O"	"ZHEHVZXPFVXKEY-IKZDWWSZSA-N"	"InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32-/m0/s1"	""	""	""
"338"	"KT 5823"	""	"Synthetic organic"	""	""	""	""	"135652699"	"108152"	""	""	""	""	""	""	""	"methyl (15S,16R,18R)-16-methoxy-4,15-dimethyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8,10,12,20,22,24-nonaene-16-carboxylate"	""	""	"COC(=O)[C@@]1(OC)C[C@H]2O[C@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CN(C1=O)C"	"QTYMDECKVKSGSM-YMUMJAELSA-N"	"InChI=1S/C29H25N3O5/c1-28-29(36-4,27(34)35-3)13-20(37-28)31-18-11-7-5-9-15(18)22-23-17(14-30(2)26(23)33)21-16-10-6-8-12-19(16)32(28)25(21)24(22)31/h5-12,20H,13-14H2,1-4H3/t20-,28+,29+/m1/s1"	""	""	""
"13125"	"KU0058948"	""	"Synthetic organic"	""	""	""	""	"491299907"	"11291932"	""	""	"CHEMBL380648"	""	""	""	""	"4-[[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one"	""	"compound 4 [PMID: 19354255]|KU-0058948"	"O=C(C1=CC(CC2=NNC(=O)C3=CC=CC=C23)=CC=C1F)N4CCCNCC4"	"HGEPGGJUGUMFHT-UHFFFAOYSA-N"	"InChI=1S/C21H21FN4O2/c22-18-7-6-14(12-17(18)21(28)26-10-3-8-23-9-11-26)13-19-15-4-1-2-5-16(15)20(27)25-24-19/h1-2,4-7,12,23H,3,8-11,13H2,(H,25,27)"	""	""	""
"8011"	"KU-0060648"	""	"Synthetic organic"	""	""	""	""	"249565691"	"11964036"	""	""	"CHEMBL1086377"	""	""	""	""	"2-(4-ethylpiperazin-1-yl)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide"	""	"KU 0060648"	"CCN1CCN(CC1)CC(=O)Nc1ccc(c2c1c1ccccc1s2)c1cccc2c1oc(cc2=O)N1CCOCC1"	"AATCBLYHOUOCTO-UHFFFAOYSA-N"	"InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)"	""	""	""
"9360"	"KU-0063794"	""	"Synthetic organic"	""	""	""	""	"328083462"	"16736978"	""	""	"CHEMBL1078983"	""	""	""	""	"[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[5,6-e]pyrimidin-7-yl]-2-methoxyphenyl]methanol"	""	"KU-63794|KU0063794"	"COc1ccc(cc1CO)c1ccc2c(n1)nc(nc2N1CCOCC1)N1C[C@H](C)O[C@@H](C1)C"	"RFSMUFRPPYDYRD-CALCHBBNSA-N"	"InChI=1S/C25H31N5O4/c1-16-13-30(14-17(2)34-16)25-27-23-20(24(28-25)29-8-10-33-11-9-29)5-6-21(26-23)18-4-7-22(32-3)19(12-18)15-31/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17+"	""	""	""
"14097"	"KU124"	""	"Synthetic organic"	""	""	""	""	"518520724"	"26727504"	""	""	""	""	""	""	""	"9,10,10-trioxo-N-(2-phenylphenyl)thioxanthene-3-carboxamide"	""	""	"C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O"	"HCYQBIOEHOPZMW-UHFFFAOYSA-N"	"InChI=1S/C26H17NO4S/c28-25-20-11-5-7-13-23(20)32(30,31)24-16-18(14-15-21(24)25)26(29)27-22-12-6-4-10-19(22)17-8-2-1-3-9-17/h1-16H,(H,27,29)"	""	""	""
"5928"	"KU-55933"	""	"Synthetic organic"	""	""	""	""	"178102551"	"5278396"	""	""	"CHEMBL222102"	""	""	""	""	"2-(morpholin-4-yl)-6-(thianthren-1-yl)-4H-pyran-4-one"	""	"ATM kinase inhibitor|KU55933"	"O=c1cc(oc(c1)c1cccc2c1Sc1ccccc1S2)N1CCOCC1"	"XRKYMMUGXMWDAO-UHFFFAOYSA-N"	"InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2"	""	""	""
"8041"	"KU-60019"	""	"Synthetic organic"	""	""	""	""	"249565721"	"15953870"	""	""	"CHEMBL2140173"	""	""	""	""	"2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide"	""	""	"O=C(Nc1ccc2c(c1)Cc1c(S2)c(ccc1)c1cc(=O)cc(o1)N1CCOCC1)CN1C[C@H](C)O[C@@H](C1)C"	"SCELLOWTHJGVIC-BGYRXZFFSA-N"	"InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+"	""	""	""
"2521"	"kurtoxin"	""	"Peptide"	""	""	""	""	"135652245"	"0"	"P58910"	""	""	""	""	""	""	""	""	"Ktx"	""	""	""	""	""	""
"622"	"kuwanon H"	""	"Natural product"	""	""	""	""	"135652700"	"5281668"	""	""	"CHEMBL506234"	""	""	""	""	"8-[(1S,5R,6S)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-1-cyclohex-2-enyl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one"	""	"kuwanone H"	"CC(=CCc1c(O)ccc(c1O)C(=O)[C@H]1[C@@H](CC(=C[C@@H]1c1c(O)cc(c2c1oc(c1ccc(cc1O)O)c(c2=O)CC=C(C)C)O)C)c1ccc(cc1O)O)C"	"DKBPTKFKCCNXNH-QXGWMLRCSA-N"	"InChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31-,32-,38-/m0/s1"	""	""	""
"10262"	"KV-37"	""	"Synthetic organic"	""	""	""	""	"381744943"	"134817174"	""	""	""	""	""	""	""	"(E)-3-[4-(3-methylbut-2-enyl)-3-(3-phenylpropanoylamino)phenyl]prop-2-enoic acid"	""	""	"O=C(Nc1cc(/C=C/C(=O)O)ccc1CC=C(C)C)CCc1ccccc1"	"SMYHHZFAWOLAAX-RVDMUPIBSA-N"	"InChI=1S/C23H25NO3/c1-17(2)8-12-20-13-9-19(11-15-23(26)27)16-21(20)24-22(25)14-10-18-6-4-3-5-7-18/h3-9,11,13,15-16H,10,12,14H2,1-2H3,(H,24,25)(H,26,27)/b15-11+"	""	""	""
"5691"	"KW-2449"	""	"Synthetic organic"	""	""	""	""	"178102318"	"11427553"	""	""	"CHEMBL1908397"	""	""	""	""	"3-[(E)-2-{4-[(piperazin-1-yl)carbonyl]phenyl}ethenyl]-2H-indazole"	""	"KW 2449"	"O=C(c1ccc(cc1)/C=C/c1[nH]nc2c1cccc2)N1CCNCC1"	"YYLKKYCXAOBSRM-JXMROGBWSA-N"	"InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+"	""	""	""
"1977"	"KW-3635"	""	"Synthetic organic"	""	""	""	""	"135650460"	"19088577"	""	""	""	""	""	""	""	"(11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate"	""	"KW3635"	"[O-]C(=O)c1ccc2c(c1)/C(=C/Cn1cnc3c1cc(C)c(c3)C)/c1ccccc1CO2"	"WZXFXUCKNJCHJG-ZVBGSRNCSA-M"	"InChI=1S/C26H22N2O3/c1-16-11-23-24(12-17(16)2)28(15-27-23)10-9-21-20-6-4-3-5-19(20)14-31-25-8-7-18(26(29)30)13-22(21)25/h3-9,11-13,15H,10,14H2,1-2H3,(H,29,30)/p-1/b21-9+"	""	""	""
"10004"	"KX2-361"	""	"Synthetic organic"	""	""	""	""	"374883891"	"11545920"	""	""	""	""	""	""	""	"N-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)pyridin-2-yl]acetamide"	""	"KX-02|KX2 361|KX2361"	"O=C(Cc1ccc(cn1)c1ccc(cc1)N1CCOCC1)NCc1cccc(c1)F"	"CMKKPJNMYLOUCE-UHFFFAOYSA-N"	"InChI=1S/C24H24FN3O2/c25-21-3-1-2-18(14-21)16-27-24(29)15-22-7-4-20(17-26-22)19-5-8-23(9-6-19)28-10-12-30-13-11-28/h1-9,14,17H,10-13,15-16H2,(H,27,29)"	""	""	""
"13031"	"KYH1872"	""	"Synthetic organic"	""	""	""	""	"485206152"	"169422758"	""	""	""	""	""	""	""	"2-{2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-1-[3-(2-{2-[4-(4-{[7-(3-methanesulfonamidophenyl)thieno[3,2-d]pyrimidin-2-yl]amino}phenyl)piperazin-1-yl]ethoxy}ethoxy)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]propanamido]acetamido}acetic acid"	""	"KYH-1872|PROTAC 26 [PMID: 37567174]"	"CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)CCOCCOCCN4CCN(CC4)C5=CC=C(NC6=NC7=C(SC=C7C8=CC(NS(C)(=O)=O)=CC=C8)C=N6)C=C5)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(O)=O"	"MXFVVHYSLPOJHX-CTXKALHZSA-N"	"InChI=1S/C57H77N13O13S3/c1-37(52(75)59-34-48(71)58-35-50(73)74)61-53(76)43(18-31-84-2)63-54(77)44-10-5-20-69(44)56(79)46-12-7-21-70(46)55(78)45-11-6-19-68(45)49(72)17-27-82-29-30-83-28-26-66-22-24-67(25-23-66)41-15-13-39(14-16-41)62-57-60-33-47-51(64-57)42(36-85-47)38-8-4-9-40(32-38)65-86(3,80)81/h4,8-9,13-16,32-33,36-37,43-46,65H,5-7,10-12,17-31,34-35H2,1-3H3,(H,58,71)(H,59,75)(H,61,76)(H,63,77)(H,73,74)(H,60,62,64)/t37-,43-,44-,45-,46-/m0/s1"	""	""	""
"2918"	"kynurenic acid"	""	"Metabolite"	""	""	""	""	"135651497"	"3845"	""	""	"CHEMBL299155"	""	""	""	""	"4-oxo-1H-quinoline-2-carboxylic acid"	""	"KYNA|transtorine"	"OC(=O)c1cc(=O)c2c([nH]1)cccc2"	"HCZHHEIFKROPDY-UHFFFAOYSA-N"	"InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)"	""	""	""
"9347"	"KYT-0353"	""	"Synthetic organic"	""	""	""	""	"328083449"	"24853505"	""	""	""	""	""	""	""	"(2S)-2-amino-3-[4-[(5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-dichlorophenyl]propanoic acid"	""	"COMPOUND-JP [US20160279103]|JPH-203|JPH203|KYT0353"	"OC(=O)[C@H](Cc1cc(Cl)c(c(c1)Cl)OCc1cc(N)cc2c1oc(n2)c1ccccc1)N"	"XNRZJPQTMQZBCE-SFHVURJKSA-N"	"InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1"	""	""	""
"2194"	"L023103"	""	"Synthetic organic"	""	""	""	""	"135650461"	"135413562"	""	""	"CHEMBL445816"	""	""	""	""	"3-[4-[(4-chlorophenyl)-[2-oxo-2-[2-(2-oxoindol-3-yl)hydrazinyl]ethyl]sulfamoyl]phenyl]-N-(3-dimethylaminopropyl)propanamide"	""	"L 023103|L-023103"	"CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C"	"BUKWNCANUKACAQ-UHFFFAOYSA-N"	"InChI=1S/C30H33ClN6O5S/c1-36(2)19-5-18-32-27(38)17-10-21-8-15-24(16-9-21)43(41,42)37(23-13-11-22(31)12-14-23)20-28(39)34-35-29-25-6-3-4-7-26(25)33-30(29)40/h3-4,6-9,11-16H,5,10,17-20H2,1-2H3,(H,32,38)(H,34,39)(H,33,35,40)"	""	""	""
"2046"	"L-054,522"	""	"Synthetic organic"	""	""	""	""	"135650462"	"15965425"	""	""	"CHEMBL99895"	""	""	""	""	"tert-butyl (2S)-6-amino-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]amino]butanoyl]amino]hexanoate"	""	"L 054522|L054522"	"NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2"	"WFCIXKAZBUIFTR-PKIMSIDOSA-N"	"InChI=1S/C35H47N7O5/c1-22(25-21-37-26-12-6-5-11-24(25)26)30(31(43)38-28(14-9-10-18-36)32(44)47-35(2,3)4)40-33(45)41-19-16-23(17-20-41)42-29-15-8-7-13-27(29)39-34(42)46/h5-8,11-13,15,21-23,28,30,37H,9-10,14,16-20,36H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t22-,28-,30+/m0/s1"	""	""	""
"1565"	"L-152,804"	""	"Synthetic organic"	""	""	""	""	"135650463"	"624746"	""	""	"CHEMBL491762"	""	""	""	""	"9-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-one"	""	"L-152804|L152804"	"OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C"	"CCJIUBMPDVWYLU-UHFFFAOYSA-N"	"InChI=1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19,24H,9-12H2,1-4H3"	""	""	""
"577"	"L-156,602"	""	"Peptide"	""	""	""	""	"178100217"	"0"	""	""	""	""	""	""	""	""	""	"L 156602|PD 124966"	""	""	""	""	""	""
"1952"	"L-161,982 (EP<sub>4</sub>A)"	""	"Synthetic organic"	""	""	""	""	"135650237"	"5312129"	""	""	""	""	""	""	""	"N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-5-methylthiophene-2-carboxamide"	""	"EP4A|L-161982|L161982"	"CCCCc1nn(c(=O)n1Cc1ccc(cc1)c1ccccc1S(=O)(=O)NC(=O)c1ccc(s1)C)c1ccccc1C(F)(F)F"	"JYZLVNVGBRFRME-UHFFFAOYSA-N"	"InChI=1S/C32H29F3N4O4S2/c1-3-4-13-29-36-39(26-11-7-6-10-25(26)32(33,34)35)31(41)38(29)20-22-15-17-23(18-16-22)24-9-5-8-12-28(24)45(42,43)37-30(40)27-19-14-21(2)44-27/h5-12,14-19H,3-4,13,20H2,1-2H3,(H,37,40)"	"yes"	""	""
"3936"	"L-162,313"	""	"Synthetic organic"	""	""	""	""	"178100764"	"6603900"	""	""	"CHEMBL288174"	""	""	""	""	"butyl N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[5,4-b]pyridin-3-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate"	""	"L 162313|L-162313"	"CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(CC)nc2c1nc(C)cc2C)CC(C)C"	"RINPELQWLUGERM-UHFFFAOYSA-N"	"InChI=1S/C30H38N4O4S2/c1-7-9-14-38-30(35)33-40(36,37)29-25(17-24(39-29)15-19(3)4)23-12-10-22(11-13-23)18-34-26(8-2)32-27-20(5)16-21(6)31-28(27)34/h10-13,16-17,19H,7-9,14-15,18H2,1-6H3,(H,33,35)"	""	""	""
"6895"	"L-163,101"	""	"Synthetic organic"	""	""	""	""	"178103477"	"73755245"	""	""	""	""	""	""	""	"N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2-methylpropyl)phenyl]sulfonylbenzamide"	""	"L-163101"	"CCc1nc2c(n1Cc1ccc(cc1)c1cc(ccc1S(=O)(=O)NC(=O)c1ccccc1)CC(C)C)nc(cc2C)C"	"BRUYKNQQCIYYNP-UHFFFAOYSA-N"	"InChI=1S/C34H36N4O3S/c1-6-31-36-32-23(4)19-24(5)35-33(32)38(31)21-25-12-15-27(16-13-25)29-20-26(18-22(2)3)14-17-30(29)42(40,41)37-34(39)28-10-8-7-9-11-28/h7-17,19-20,22H,6,18,21H2,1-5H3,(H,37,39)"	""	""	""
"2691"	"L-165041"	""	"Synthetic organic"	""	""	""	""	"135650464"	"6603901"	""	""	"CHEMBL153057"	""	""	""	""	"2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy]acetic acid"	""	"L165041"	"CCCc1c(OCCCOc2ccc(cc2)OCC(=O)O)ccc(c1O)C(=O)C"	"HBBVCKCCQCQCTJ-UHFFFAOYSA-N"	"InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)"	""	""	""
"2690"	"L-165461"	""	"Synthetic organic"	""	""	""	""	"135650465"	"9889841"	""	""	"CHEMBL279053"	""	""	""	""	"2-[3-chloro-4-[3-[(3-ethyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propylsulfanyl]phenyl]acetic acid"	""	"L 165461|L165461"	"CCCc1c(OCCCSc2ccc(cc2Cl)CC(=O)O)ccc2c1onc2CC"	"LBEYMGDIPDOUKK-UHFFFAOYSA-N"	"InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)"	""	""	""
"3505"	"L-168,049"	""	"Synthetic organic"	""	""	""	""	"178100492"	"5311276"	""	""	"CHEMBL351772"	""	""	""	""	"4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine"	""	"L 168049|L-168049|L168049"	"CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br"	"HHBOWXZOLYQFNY-UHFFFAOYSA-N"	"InChI=1S/C24H20BrClN2O/c1-2-13-29-23-8-5-18(25)14-20(23)21-15-22(16-3-6-19(26)7-4-16)28-24(21)17-9-11-27-12-10-17/h3-12,14-15,28H,2,13H2,1H3"	""	""	""
"2072"	"L-362,823"	""	"Peptide"	""	""	""	""	"135652246"	"0"	""	""	""	""	""	""	""	""	""	"L 362823|L-362823"	""	""	""	""	""	""
"2014"	"L-362,855"	""	"Peptide"	""	""	""	""	"135652247"	"0"	""	""	""	""	""	""	""	""	""	"L 362855|L-362855"	""	""	""	""	""	""
"2047"	"L-363,301"	""	"Peptide"	""	""	""	""	"135652248"	"0"	""	""	""	""	""	""	""	""	""	"L 363301|L 363568|MK 301|MSD-L 363301"	""	""	""	""	""	""
"2048"	"L-363,377"	""	"Peptide"	""	""	""	""	"135652249"	"70692642"	""	""	"CHEMBL2052017"	""	""	""	""	""	""	"L 363377|L-363377"	""	""	""	""	""	""
"2049"	"L-363,409"	""	"Peptide"	""	""	""	""	"135652250"	"0"	""	""	""	""	""	""	""	""	""	"L 363409|MK 363-409"	""	""	""	""	""	""
"2241"	"L-365,209"	""	"Peptide"	""	""	""	""	"135652251"	"9810632"	""	""	"CHEMBL127686"	""	""	""	""	""	""	"L 365209|L-365209"	"CC[C@@H]([C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N(C(=O)[C@H]2N(C(=O)[C@@H]3N(C1=O)N=CCC3)N=CCC2)C)Cc1ccccc1)C"	"IFHSSGUGRIXWQU-NSTWBPGMSA-N"	"InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29+,30-,31-,32+,33+,34-/m0/s1"	""	""	""
"879"	"L-365260"	""	"Synthetic organic"	""	""	""	""	"135650467"	"104929"	""	""	"CHEMBL289498"	""	""	""	""	"1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea"	""	"(R)-L 365260|L 365260|L365260"	"Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2"	"KDFQABSFVYLGPM-UHFFFAOYSA-N"	"InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)"	""	""	""
"2242"	"L-366,509"	""	"Synthetic organic"	""	""	""	""	"135650468"	"3083288"	""	""	""	""	""	""	""	"2-[6-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-6-bicyclo[2.2.1]heptanyl]acetic acid"	""	"L-366509"	"OC(=O)CC1(O)CC2C(C1(CC2)CS(=O)(=O)N1CCC2(CC1)C=Cc1c2cccc1)(C)C"	"XKVDTEPESVJNPJ-UHFFFAOYSA-N"	"InChI=1S/C25H33NO5S/c1-22(2)19-8-10-24(22,25(29,15-19)16-21(27)28)17-32(30,31)26-13-11-23(12-14-26)9-7-18-5-3-4-6-20(18)23/h3-7,9,19,29H,8,10-17H2,1-2H3,(H,27,28)"	""	""	""
"2243"	"L-366,682"	""	"Peptide"	""	""	""	""	"135652252"	"196819"	""	""	""	""	""	""	""	"(2S)-1-[(2R)-2-amino-3-(3H-imidazol-4-yl)propanoyl]-N-[(2R)-1-[[(2S,3S)-1-[(2S)-2-formyl-2-(piperidine-1-carbonyl)piperidin-1-yl]-3-methyl-1-oxopent-4-en-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide"	""	"cyclo(Pro-Trp-Ile-Pip-Pip-His)|L 366682"	"C=C[C@@H]([C@@H](C(=O)N1CCCC[C@]1(C=O)C(=O)N1CCCCC1)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1cnc[nH]1)N)C"	"QHUGACUEEILSLD-NNWJBWDNSA-N"	"InChI=1S/C40H53N9O6/c1-3-26(2)34(38(54)49-19-10-7-15-40(49,24-50)39(55)47-16-8-4-9-17-47)46-35(51)32(20-27-22-43-31-13-6-5-12-29(27)31)45-36(52)33-14-11-18-48(33)37(53)30(41)21-28-23-42-25-44-28/h3,5-6,12-13,22-26,30,32-34,43H,1,4,7-11,14-21,41H2,2H3,(H,42,44)(H,45,52)(H,46,51)/t26-,30+,32+,33-,34-,40-/m0/s1"	""	""	""
"2244"	"L-366,875"	""	"Peptide"	""	""	""	""	"135652253"	"0"	""	""	""	""	""	""	""	""	""	"L 366875|L-366875"	""	""	""	""	""	""
"2245"	"L-366,948"	""	"Peptide"	""	""	""	""	"135652254"	"188397"	""	""	""	""	""	""	""	"(2S)-2-amino-N-[(2S,3S)-1-[(2S)-1-[(2R)-2-amino-3-[2,2-bis(piperidine-1-carbonyl)imidazol-4-yl]propanoyl]-2-formylpyrrolidin-2-yl]-3-methyl-1-oxopentan-2-yl]-3-naphthalen-2-ylpropanamide"	""	"L 366948|L-366948"	"CC[C@@H]([C@@H](C(=O)[C@@]1(C=O)CCCN1C(=O)[C@@H](CC1=NC(N=C1)(C(=O)N1CCCCC1)C(=O)N1CCCCC1)N)NC(=O)[C@H](Cc1ccc2c(c1)cccc2)N)C"	"OCVKQRQVXSMCCJ-HWFQYKCLSA-N"	"InChI=1S/C42H56N8O6/c1-3-28(2)35(46-37(53)33(43)24-29-15-16-30-13-6-7-14-31(30)23-29)36(52)41(27-51)17-12-22-50(41)38(54)34(44)25-32-26-45-42(47-32,39(55)48-18-8-4-9-19-48)40(56)49-20-10-5-11-21-49/h6-7,13-16,23,26-28,33-35H,3-5,8-12,17-22,24-25,43-44H2,1-2H3,(H,46,53)/t28-,33-,34+,35-,41-/m0/s1"	""	""	""
"2246"	"L-367,773"	""	"Synthetic organic"	""	""	""	""	"135650469"	"10413997"	""	""	"CHEMBL338522"	""	""	""	""	"N-[(1S,4R,6S)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-6-bicyclo[2.2.1]heptanyl]-2-(3H-imidazol-4-yl)acetamide"	""	"L 367773|L-367773"	"O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C"	"VQAVBHLGXVZOKM-RASJMTDNSA-N"	"InChI=1S/C28H38N4O3S/c1-26(2)21-8-10-28(26,24(15-21)31-25(33)16-22-17-29-19-30-22)18-36(34,35)32-13-11-27(12-14-32)9-7-20-5-3-4-6-23(20)27/h3-6,17,19,21,24H,7-16,18H2,1-2H3,(H,29,30)(H,31,33)/t21-,24+,28-/m1/s1"	""	""	""
"2247"	"L-367,938"	""	"Synthetic organic"	""	""	""	""	"135650470"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2248"	"L-368,228"	""	"Synthetic organic"	""	""	""	""	"135650471"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2249"	"L-368,899"	""	"Synthetic organic"	""	""	""	""	"135650472"	"9872389"	""	""	"CHEMBL1253853"	""	""	""	""	"(2S)-2-amino-N-[(1S,4R,6S)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-6-bicyclo[2.2.1]heptanyl]-4-methylsulfonylbutanamide"	""	"L 368,899|L 368899|L-368899"	"O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C"	"MWIASLNTAGRGGA-ZJPWWDJASA-N"	"InChI=1S/C26H42N4O5S2/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31)/t20-,21+,23+,26-/m1/s1"	""	""	""
"2250"	"L-368,930"	""	"Synthetic organic"	""	""	""	""	"135650473"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2251"	"L-369,020"	""	"Synthetic organic"	""	""	""	""	"135650474"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2252"	"L-371,257"	""	"Synthetic organic"	""	""	""	""	"135650475"	"6918320"	""	""	"CHEMBL24781"	""	""	""	""	"1-[1-[4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one"	""	"L 371257|L-371257"	"COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C"	"WDERJSQJYIJOPD-UHFFFAOYSA-N"	"InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3"	""	""	""
"2253"	"L-372662"	""	"Synthetic organic"	""	""	""	""	"135650476"	"5311202"	""	""	"CHEMBL306645"	""	""	""	""	"1-[1-[2-methoxy-4-[1-[(2-methyl-1-oxidopyridin-1-ium-3-yl)methyl]piperidin-4-yl]oxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one"	""	"L012255|L372662"	"COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-]"	"SKWSXDUHUVMPBT-UHFFFAOYSA-N"	"InChI=1S/C33H38N4O6/c1-23-24(7-5-15-36(23)40)21-34-16-13-27(14-17-34)43-28-9-10-29(31(20-28)41-2)32(38)35-18-11-26(12-19-35)37-30-8-4-3-6-25(30)22-42-33(37)39/h3-10,15,20,26-27H,11-14,16-19,21-22H2,1-2H3"	""	""	""
"11703"	"L-45"	""	"Synthetic organic"	""	""	""	""	"442878729"	"131698638"	""	""	"CHEMBL4570969"	""	""	""	""	"(1S,2S)-1-N,1-N-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine"	""	"L-Moses"	"CN([C@H]([C@@H](Nc1nn2c(C)nnc2c2c1cccc2)C)c1ccccc1)C"	"MSFPLTWUFWOKBX-IFXJQAMLSA-N"	"InChI=1S/C21H24N6/c1-14(19(26(3)4)16-10-6-5-7-11-16)22-20-17-12-8-9-13-18(17)21-24-23-15(2)27(21)25-20/h5-14,19H,1-4H3,(H,22,25)/t14-,19+/m0/s1"	""	"yes"	""
"1879"	"L-644,698"	""	"Synthetic organic"	""	""	""	""	"135650477"	"9908595"	""	""	"CHEMBL117168"	""	""	""	""	"4-[3-[3-(3-hydroxyoctyl)-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoic acid"	""	"L-644698|L644698"	"CCCCCC(CCN1C(CCCc2ccc(cc2)C(=O)O)SCC1=O)O"	"NDAXAJCKSWCWQI-UHFFFAOYSA-N"	"InChI=1S/C21H31NO4S/c1-2-3-4-7-18(23)13-14-22-19(24)15-27-20(22)8-5-6-16-9-11-17(12-10-16)21(25)26/h9-12,18,20,23H,2-8,13-15H2,1H3,(H,25,26)"	""	""	""
"4238"	"L655708"	""	"Synthetic organic"	""	""	""	""	"178101055"	"4203080"	""	""	""	""	""	""	""	"ethyl 15-methoxy-12-oxo-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(13),3,5,14,16-pentaene-5-carboxylate"	""	"L 655708|L-655,708"	"CCOC(=O)c1ncn2c1C1CCCN1C(=O)c1c2ccc(c1)OC"	"YKYOQIXTECBVBB-UHFFFAOYSA-N"	"InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3"	""	""	""
"3426"	"L659989"	""	"Synthetic organic"	""	""	""	""	"178100430"	"9934870"	""	""	""	""	""	""	""	"(2S,5S)-2-(3-methoxy-5-methylsulfonyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane"	""	"L-659,989|L-659989"	"CCCOc1c(OC)cc(cc1S(=O)(=O)C)[C@@H]1CC[C@H](O1)c1cc(OC)c(c(c1)OC)OC"	"NZWPFJNQOZFEDT-ROUUACIJSA-N"	"InChI=1S/C24H32O8S/c1-7-10-31-24-21(29-4)13-16(14-22(24)33(6,25)26)18-9-8-17(32-18)15-11-19(27-2)23(30-5)20(12-15)28-3/h11-14,17-18H,7-10H2,1-6H3/t17-,18-/m0/s1"	""	""	""
"4239"	"L689560"	""	"Synthetic organic"	""	""	""	""	"178101056"	"121918"	""	""	""	""	""	""	""	"(2S,4R)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid"	""	"compound 35 (Leeson <i>et al.</i>, 1992)|L-689,560|L-689560"	"O=C(N[C@@H]1C[C@H](Nc2c1c(Cl)cc(c2)Cl)C(=O)O)Nc1ccccc1"	"UCKHICKHGAOGAP-KGLIPLIRSA-N"	"InChI=1S/C17H15Cl2N3O3/c18-9-6-11(19)15-12(7-9)21-14(16(23)24)8-13(15)22-17(25)20-10-4-2-1-3-5-10/h1-7,13-14,21H,8H2,(H,23,24)(H2,20,22,25)/t13-,14+/m1/s1"	""	""	""
"5208"	"L690330"	""	"Synthetic organic"	""	""	""	""	"178101894"	"132449"	""	""	"CHEMBL34819"	""	""	""	""	"[1-(4-hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid"	""	"L 690330|L-690,330|L-690330"	"Oc1ccc(cc1)OC(P(=O)(O)O)(P(=O)(O)O)C"	"JKOCAAWWDVHWKB-UHFFFAOYSA-N"	"InChI=1S/C8H12O8P2/c1-8(17(10,11)12,18(13,14)15)16-7-4-2-6(9)3-5-7/h2-5,9H,1H3,(H2,10,11,12)(H2,13,14,15)"	""	""	""
"5868"	"L-692,429"	""	"Synthetic organic"	""	""	""	""	"178102492"	"121879"	""	""	"CHEMBL308716"	""	""	""	""	"3-amino-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide"	""	"L 692429|L-692429|MK 0751"	"O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2"	"SBJLJOFPWOYATP-XMMPIXPASA-N"	"InChI=1S/C29H31N7O2/c1-29(2,30)17-26(37)31-24-16-15-21-7-3-6-10-25(21)36(28(24)38)18-19-11-13-20(14-12-19)22-8-4-5-9-23(22)27-32-34-35-33-27/h3-14,24H,15-18,30H2,1-2H3,(H,31,37)(H,32,33,34,35)/t24-/m1/s1"	""	""	""
"15"	"L-694,247"	""	"Synthetic organic"	""	""	""	""	"135650478"	"132059"	""	""	"CHEMBL39317"	""	""	""	""	"N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide"	""	"L-694247"	"NCCc1c[nH]c2c1cc(cc2)c1onc(n1)Cc1ccc(cc1)NS(=O)(=O)C"	"HKXMQLISPYELRD-UHFFFAOYSA-N"	"InChI=1S/C20H21N5O3S/c1-29(26,27)25-16-5-2-13(3-6-16)10-19-23-20(28-24-19)14-4-7-18-17(11-14)15(8-9-21)12-22-18/h2-7,11-12,22,25H,8-10,21H2,1H3"	""	""	""
"9027"	"L6H21"	""	"Synthetic organic"	""	""	""	""	"315661112"	"5346378"	""	""	"CHEMBL2013139"	""	""	""	""	"(E)-3-(2,3-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one"	""	""	"COc1ccc(cc1)C(=O)/C=C/c1cccc(c1OC)OC"	"IECVLMVZGCYCSZ-FMIVXFBMSA-N"	"InChI=1S/C18H18O4/c1-20-15-10-7-13(8-11-15)16(19)12-9-14-5-4-6-17(21-2)18(14)22-3/h4-12H,1-3H3/b12-9+"	"yes"	""	""
"4240"	"L701324"	""	"Synthetic organic"	""	""	""	""	"178101057"	"54682505"	""	""	"CHEMBL31741"	""	""	""	""	"7-chloro-2-hydroxy-3-(3-phenoxyphenyl)-1,4-dihydroquinolin-4-one"	""	"compund 13 [PMID: 8182696]|L-701,324|L-701324"	"Clc1ccc2c(c1)[nH]c(c(c2=O)c1cccc(c1)Oc1ccccc1)O"	"FLVRDMUHUXVRET-UHFFFAOYSA-N"	"InChI=1S/C21H14ClNO3/c22-14-9-10-17-18(12-14)23-21(25)19(20(17)24)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25)"	""	""	""
"11042"	"L-701677"	""	"Synthetic organic"	""	""	""	""	"405560483"	"9810699"	""	""	"CHEMBL273931"	""	""	""	""	"(2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,8,10,12,14-heptamethyl-1-oxa-7-azacyclopentadecan-15-one"	""	"L-701,677"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](N(C[C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O"	"CVVWWIGGJJALDG-CFLXSVEWSA-N"	"InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)20(2)19-40(13)21(3)17-36(8,45)33(52-35-29(41)26(39(11)12)16-22(4)48-35)23(5)30(24(6)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21+,22+,23-,24+,25-,26-,27+,28-,29+,30-,31+,32-,33+,35-,36+,37+,38+/m0/s1"	""	""	"yes"
"2104"	"L-703,606"	""	"Synthetic organic"	""	""	""	""	"135650480"	"132629"	""	""	"CHEMBL24999"	""	""	""	""	"(7R,8R)-7-[di(phenyl)methyl]-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine"	""	"L-703606"	"Ic1ccccc1CN[C@@H]1C2CCN([C@@H]1C(c1ccccc1)c1ccccc1)CC2"	"WSLTYZVXORBNLB-KAYWLYCHSA-N"	"InChI=1S/C27H29IN2/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,29H,15-19H2/t26-,27-/m1/s1"	""	""	""
"10980"	"L-708365"	""	"Synthetic organic"	""	""	""	""	"405560421"	"10462917"	""	""	""	""	""	""	""	"(2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-7-prop-2-enyl-1-oxa-7-azacyclopentadecan-15-one"	""	"L 708,365|L 708365|L-708,365"	"C=CCN1C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]([C@H]([C@@H]([C@H]([C@](C[C@H]1C)(C)O)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)OC)O)C"	"ZZRQNCPNJLVUMK-UZSBJOJWSA-N"	"InChI=1S/C40H74N2O12/c1-15-17-42-21-22(3)33(44)40(11,48)29(16-2)52-36(46)26(7)32(53-30-20-39(10,49-14)34(45)27(8)51-30)25(6)35(38(9,47)19-23(42)4)54-37-31(43)28(41(12)13)18-24(5)50-37/h15,22-35,37,43-45,47-48H,1,16-21H2,2-14H3/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32-,33+,34-,35+,37-,38+,39+,40+/m0/s1"	""	""	"yes"
"3069"	"L-731120"	""	"Synthetic organic"	""	""	""	""	"135650481"	"9931928"	""	""	"CHEMBL78491"	""	""	""	""	"1-[(6E)-6,8-dimethyl-9-phenylnon-6-en-1-yl]-2-hydroxypropane-1,2,3-tricarboxylic acid"	""	"L 731120"	"OC(=O)CC(C(C(=O)O)CCCCC/C(=C/C(Cc1ccccc1)C)/C)(C(=O)O)O"	"NLNJIEVMUWDLAZ-DTQAZKPQSA-N"	"InChI=1S/C23H32O7/c1-16(13-17(2)14-18-10-6-4-7-11-18)9-5-3-8-12-19(21(26)27)23(30,22(28)29)15-20(24)25/h4,6-7,10-11,13,17,19,30H,3,5,8-9,12,14-15H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/b16-13+"	""	""	""
"3068"	"L-731128"	""	"Synthetic organic"	""	""	""	""	"135650482"	"9889873"	""	""	"CHEMBL78492"	""	""	""	""	"1-[(10E)-6,8-dimethyl-11-phenylundec-10-en-1-yl]-2-hydroxypropane-1,2,3-tricarboxylic acid"	""	"L 731128"	"CC(CC(C/C=C/c1ccccc1)C)CCCCCC(C(C(=O)O)(CC(=O)O)O)C(=O)O"	"DSEOFKAKDCUIFI-NTEUORMPSA-N"	"InChI=1S/C25H36O7/c1-18(16-19(2)11-9-14-20-12-6-4-7-13-20)10-5-3-8-15-21(23(28)29)25(32,24(30)31)17-22(26)27/h4,6-7,9,12-14,18-19,21,32H,3,5,8,10-11,15-17H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/b14-9+"	""	""	""
"9461"	"L-732,138"	""	"Synthetic organic"	""	""	""	""	"329968401"	"132837"	""	""	"CHEMBL22870"	""	""	""	""	"[3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate"	""	"L-732138|L732138"	"CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2"	"BYYQYXVAWXAYQC-IBGZPJMESA-N"	"InChI=1S/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/m0/s1"	""	""	""
"13432"	"L-733,060"	""	"Synthetic organic"	""	""	""	""	"500839842"	"132846"	""	""	"CHEMBL27006"	""	""	""	""	"(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine"	""	"L-733060"	"FC(F)(F)C1=CC(=CC(CO[C@H]2CCCN[C@H]2C3=CC=CC=C3)=C1)C(F)(F)F"	"FCDRFVCGMLUYPG-ROUUACIJSA-N"	"InChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2/t17-,18-/m0/s1"	""	""	""
"3117"	"L-735021"	""	"Synthetic organic"	""	""	""	""	"135650483"	"9853075"	""	""	"CHEMBL131201"	""	""	""	""	"(6R,7R)-1-(5-benzylhexyl)-4,7-dihydroxy-6-{[(4E)-6-methyl-9-phenylnon-4-enoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid"	""	"L 735021"	"CC(CCCc1ccccc1)/C=C/CCC(=O)O[C@@H]1[C@@H](O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCCCC(Cc1ccccc1)C"	"ZOTNYZYRJOAANS-OIAIRNFISA-N"	"InChI=1S/C38H48O12/c1-25(16-13-21-27-17-5-3-6-18-27)14-9-10-22-29(39)48-31-30(40)36(23-12-11-15-26(2)24-28-19-7-4-8-20-28)49-32(33(41)42)37(47,34(43)44)38(31,50-36)35(45)46/h3-9,14,17-20,25-26,30-32,40,47H,10-13,15-16,21-24H2,1-2H3,(H,41,42)(H,43,44)(H,45,46)/b14-9+/t25?,26?,30-,31-,32?,36?,37?,38?/m1/s1"	""	""	""
"2592"	"L735821"	""	"Synthetic organic"	""	""	""	""	"135650484"	"5282279"	""	""	"CHEMBL332826"	""	""	""	""	"(E)-3-(2,4-dichlorophenyl)-N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]prop-2-enamide"	""	"C13853"	"O=C(N[C@@H]1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2)/C=C/c1ccc(cc1Cl)Cl"	"BYULDQRRUINTAA-SWDTZWKESA-N"	"InChI=1S/C25H19Cl2N3O2/c1-30-21-10-6-5-9-19(21)23(17-7-3-2-4-8-17)29-24(25(30)32)28-22(31)14-12-16-11-13-18(26)15-20(16)27/h2-15,24H,1H3,(H,28,31)/b14-12+/t24-/m1/s1"	""	""	""
"880"	"L-736380"	""	"Synthetic organic"	""	""	""	""	"135650485"	"9935175"	""	""	"CHEMBL2093059"	""	""	""	""	"1-[(3R)-5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-(methyl-(2H-tetrazol-5-yl)amino)phenyl]urea"	""	"L 736380|L736380"	"O=C(N[C@@H]1N=C(C2CCCCC2)c2c(N(C1=O)C)cccc2)Nc1cccc(c1)N(c1n[nH]nn1)C"	"MYPNMQPMQUAOTH-QFIPXVFZSA-N"	"InChI=1S/C25H29N9O2/c1-33(24-29-31-32-30-24)18-12-8-11-17(15-18)26-25(36)28-22-23(35)34(2)20-14-7-6-13-19(20)21(27-22)16-9-4-3-5-10-16/h6-8,11-16,22H,3-5,9-10H2,1-2H3,(H2,26,28,36)(H,29,30,31,32)/t22-/m0/s1"	""	""	""
"8030"	"L-739,750"	""	"Synthetic organic"	""	""	""	""	"249565710"	"5287548"	""	""	""	""	""	""	""	"(2S)-2-[[(2S)-2-[(2S,3S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methylpentoxy]-3-phenylpropanoyl]amino]-4-methylsulfonylbutanoic acid"	""	"L 739750"	"CC[C@@H]([C@H](NC[C@H](CS)N)CO[C@H](C(=O)N[C@H](C(=O)O)CCS(=O)(=O)C)Cc1ccccc1)C"	"SIEXHGZWGJLLAC-OSTWSGHESA-N"	"InChI=1S/C23H39N3O6S2/c1-4-16(2)20(25-13-18(24)15-33)14-32-21(12-17-8-6-5-7-9-17)22(27)26-19(23(28)29)10-11-34(3,30)31/h5-9,16,18-21,25,33H,4,10-15,24H2,1-3H3,(H,26,27)(H,28,29)/t16-,18+,19-,20+,21-/m0/s1"	""	""	""
"881"	"L-740093"	""	"Synthetic organic"	""	""	""	""	"135650486"	"132980"	""	""	"CHEMBL420783"	""	""	""	""	"1-[(3R)-5-(3-azabicyclo[3.2.2]nonan-3-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea"	""	"L 740093|L-740,093|L740093"	"Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2"	"QYERABWMFRRINX-XWEVFREBSA-N"	"InChI=1S/C26H31N5O2/c1-17-6-5-7-20(14-17)27-26(33)29-23-25(32)30(2)22-9-4-3-8-21(22)24(28-23)31-15-18-10-11-19(16-31)13-12-18/h3-9,14,18-19,23H,10-13,15-16H2,1-2H3,(H2,27,29,33)/t18?,19?,23-/m0/s1"	""	""	""
"177"	"L-741,626"	""	"Synthetic organic"	""	""	""	""	"135650487"	"133633"	""	""	"CHEMBL445102"	""	""	""	""	"4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol"	""	"L 741626|L741626"	"Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2"	"LLBLNMUONVVVPG-UHFFFAOYSA-N"	"InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2"	""	""	""
"3302"	"L741742"	""	"Synthetic organic"	""	""	""	""	"178100339"	"133008"	""	""	"CHEMBL444309"	""	""	""	""	"4-[5-(4-chlorophenyl)-4-methyl-1,2-oxazol-3-yl]-1-(2-phenylethyl)piperidine"	""	"L 741742|L-741,742|L-741742"	"Clc1ccc(cc1)c1onc(c1C)C1CCN(CC1)CCc1ccccc1"	"QDMAKDIDFJTXEL-UHFFFAOYSA-N"	"InChI=1S/C23H25ClN2O/c1-17-22(25-27-23(17)20-7-9-21(24)10-8-20)19-12-15-26(16-13-19)14-11-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3"	""	""	""
"3467"	"L742791"	""	"Synthetic organic"	""	""	""	""	"178100461"	"16118894"	""	""	"CHEMBL276257"	""	""	""	""	"N-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-4-iodobenzenesulfonamide"	""	"compound 3 [PMID:9873496]|L 742791|L-742,791"	"O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I"	"ZNTDIRUBXSTBGJ-NRFANRHFSA-N"	"InChI=1S/C23H25IN2O5S/c24-18-3-11-23(12-4-18)32(29,30)26-19-5-1-17(2-6-19)13-14-25-15-21(28)16-31-22-9-7-20(27)8-10-22/h1-12,21,25-28H,13-16H2/t21-/m0/s1"	""	""	""
"3303"	"L745870"	""	"Synthetic organic"	""	""	""	""	"178100340"	"5311200"	""	""	"CHEMBL267014"	""	""	""	""	"3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine"	""	"L 745870|L-745,870"	"Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2"	"OGJGQVFWEPNYSB-UHFFFAOYSA-N"	"InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)"	""	""	""
"3463"	"L-748328"	""	"Synthetic organic"	""	""	""	""	"53801070"	""	""	""	""	""	""	""	""	"3-[(2S)-2-hydroxy-3-[2-[4-(phenylsulfonylamino)phenyl]ethylamino]propoxy]benzenesulfonamide"	""	""	"O[C@H](COc1cccc(c1)S(=O)(=O)N)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1"	"CVPJSQZQNBKALR-FQEVSTJZSA-N"	"InChI=1S/C23H27N3O6S2/c24-33(28,29)23-8-4-5-21(15-23)32-17-20(27)16-25-14-13-18-9-11-19(12-10-18)26-34(30,31)22-6-2-1-3-7-22/h1-12,15,20,25-27H,13-14,16-17H2,(H2,24,28,29)/t20-/m0/s1"	""	""	""
"3932"	"L748337"	""	"Synthetic organic"	""	""	""	""	"178100761"	"10028830"	""	""	""	""	""	""	""	"N-[[3-[(2S)-2-hydroxy-3-[2-[4-(phenylsulfonylamino)phenyl]ethylamino]propoxy]phenyl]methyl]acetamide"	""	"L 748337|L-748,337"	"O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1"	"AWIONHVPTYTSHZ-DEOSSOPVSA-N"	"InChI=1S/C26H31N3O5S/c1-20(30)28-17-22-6-5-7-25(16-22)34-19-24(31)18-27-15-14-21-10-12-23(13-11-21)29-35(32,33)26-8-3-2-4-9-26/h2-13,16,24,27,29,31H,14-15,17-19H2,1H3,(H,28,30)/t24-/m0/s1"	""	""	""
"978"	"L-750,667"	""	"Synthetic organic"	""	""	""	""	"135650488"	"6603897"	""	""	"CHEMBL60518"	""	""	""	""	"3-[[4-(4-iodophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine"	""	"L-750667|L750667|Lopac-L-133"	"Ic1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2"	"OOEUHRGMLFVKQO-UHFFFAOYSA-N"	"InChI=1S/C18H19IN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)"	""	""	""
"3931"	"L755507"	""	"Synthetic organic"	""	""	""	""	"178100760"	"9829836"	""	""	"CHEMBL12998"	""	""	""	""	"1-hexyl-3-[4-[[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]sulfamoyl]phenyl]urea"	""	"L 755507|L-755,507|L-755507"	"CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O"	"NYYJKMXNVNFOFQ-MHZLTWQESA-N"	"InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1"	""	""	""
"748"	"L-759,633"	""	"Synthetic organic"	""	""	""	""	"135650489"	"5311215"	""	""	"CHEMBL57367"	""	""	""	""	"(6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene"	""	"L-759633|L759633"	"CCCCCCC(c1cc(OC)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)C)(C)C)(C)C"	"SUFMHSFGODDLKI-NHCUHLMSSA-N"	"InChI=1S/C26H40O2/c1-8-9-10-11-14-25(3,4)19-16-22(27-7)24-20-15-18(2)12-13-21(20)26(5,6)28-23(24)17-19/h12,16-17,20-21H,8-11,13-15H2,1-7H3/t20-,21-/m1/s1"	""	""	""
"749"	"L-759,656"	""	"Synthetic organic"	""	""	""	""	"135650490"	"5311216"	""	""	"CHEMBL294013"	""	""	""	""	"(6aR,10aR)-1-methoxy-6,6-dimethyl-9-methylidene-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene"	""	"L-759656|L759656"	"CCCCCCC(c1cc(OC)c2c(c1)OC([C@H]1[C@H]2CC(=C)CC1)(C)C)(C)C"	"BJIIKHXAZBTGLF-NHCUHLMSSA-N"	"InChI=1S/C26H40O2/c1-8-9-10-11-14-25(3,4)19-16-22(27-7)24-20-15-18(2)12-13-21(20)26(5,6)28-23(24)17-19/h16-17,20-21H,2,8-15H2,1,3-7H3/t20-,21-/m1/s1"	""	""	""
"10349"	"L760735"	""	"Synthetic organic"	""	""	""	""	"381745030"	"9809077"	""	""	""	""	""	""	""	"1-[5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine"	""	""	"CN(Cc1n[nH]nc1CN1CCO[C@@H]([C@@H]1c1ccc(cc1)F)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C"	"USRYEHHMJIRICK-ZNZBMKLDSA-N"	"InChI=1S/C26H28F7N5O2/c1-15(17-10-18(25(28,29)30)12-19(11-17)26(31,32)33)40-24-23(16-4-6-20(27)7-5-16)38(8-9-39-24)14-22-21(13-37(2)3)34-36-35-22/h4-7,10-12,15,23-24H,8-9,13-14H2,1-3H3,(H,34,35,36)/t15-,23+,24-/m1/s1"	""	""	""
"2696"	"L-764406"	""	"Synthetic organic"	""	""	""	""	"135650491"	"9818466"	""	""	""	""	""	""	""	"2-chloro-3-(phenylsulfonylmethyl)quinoxaline"	""	"L 764406|L764406"	"Clc1nc2ccccc2nc1CS(=O)(=O)c1ccccc1"	"AMNQYONRCBZMGT-UHFFFAOYSA-N"	"InChI=1S/C15H11ClN2O2S/c16-15-14(17-12-8-4-5-9-13(12)18-15)10-21(19,20)11-6-2-1-3-7-11/h1-9H,10H2"	""	""	""
"506"	"L-765314"	""	"Synthetic organic"	""	""	""	""	"135650492"	"6603904"	""	""	"CHEMBL19476"	""	""	""	""	"phenylmethyl (2S)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-(tert-butylcarbamoyl)piperazine-1-carboxylate"	""	"L-765,314"	"COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1"	"CGWOIDCAGBKOQL-FQEVSTJZSA-N"	"InChI=1S/C27H34N6O5/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30)/t20-/m0/s1"	""	""	""
"16"	"L-772,405"	""	"Synthetic organic"	""	""	""	""	"135650493"	"9847194"	""	""	"CHEMBL313714"	""	""	""	""	"(2R)-2-(4-fluorophenyl)-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethanol"	""	"L 772405|L-772405"	"OC[C@@H](c1ccc(cc1)F)NC1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)n1cnnc1"	"HNKDAQNYMJNLCC-SANMLTNESA-N"	"InChI=1S/C26H31FN6O/c27-21-5-3-19(4-6-21)26(16-34)31-22-9-12-32(13-10-22)11-1-2-20-15-28-25-8-7-23(14-24(20)25)33-17-29-30-18-33/h3-8,14-15,17-18,22,26,28,31,34H,1-2,9-13,16H2/t26-/m0/s1"	""	""	""
"114"	"L-775,606"	""	"Synthetic organic"	""	""	""	""	"135650494"	"6426760"	""	""	"CHEMBL292779"	""	""	""	""	"3-[3-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole"	""	"L-775606"	"Fc1cccc(c1)CCN1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)n1cnnc1"	"ZUTQCPBDRJBADG-UHFFFAOYSA-N"	"InChI=1S/C25H29FN6/c26-22-5-1-3-20(15-22)8-10-31-13-11-30(12-14-31)9-2-4-21-17-27-25-7-6-23(16-24(21)25)32-18-28-29-19-32/h1,3,5-7,15-19,27H,2,4,8-14H2"	""	""	""
"9129"	"L779450"	""	"Synthetic organic"	""	""	""	""	"315661214"	"9950176"	""	""	"CHEMBL373011"	""	""	""	""	"2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol"	""	"compound 1 [PMID:18346893]|compound 2 [PMID: 16260133]|L-779,450|L-779450"	"Oc1cc(ccc1Cl)c1nc([nH]c1c1ccncc1)c1ccccc1"	"WXJLXRNWMLWVFB-UHFFFAOYSA-N"	"InChI=1S/C20H14ClN3O/c21-16-7-6-15(12-17(16)25)19-18(13-8-10-22-11-9-13)23-20(24-19)14-4-2-1-3-5-14/h1-12,25H,(H,23,24)"	""	""	""
"2050"	"L-779,976"	""	"Synthetic organic"	""	""	""	""	"135650495"	"5311372"	""	""	""	""	""	""	""	"N-[(2R,3S)-1-[[(1R,3R)-3-(aminomethyl)cyclohexyl]methylamino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide"	""	"L 779976|L-779976"	"NC[C@@H]1CCC[C@H](C1)CNC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2"	"DDVPVAOEMZRZQU-JONNCTARSA-N"	"InChI=1S/C33H43N7O3/c1-21(26-20-35-27-10-3-2-9-25(26)27)30(31(41)36-19-23-8-6-7-22(17-23)18-34)38-32(42)39-15-13-24(14-16-39)40-29-12-5-4-11-28(29)37-33(40)43/h2-5,9-12,20-24,30,35H,6-8,13-19,34H2,1H3,(H,36,41)(H,37,43)(H,38,42)/t21-,22+,23+,30+/m0/s1"	""	""	""
"2688"	"L-783483"	""	"Synthetic organic"	""	""	""	""	"135650496"	"9935197"	""	""	"CHEMBL23296"	""	""	""	""	"2-[3-chloro-4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propylsulfanyl]phenyl]acetic acid"	""	"F<sub>3</sub>MethylAA"	"CCCc1c(OCCCSc2ccc(cc2Cl)CC(=O)O)ccc2c1onc2C(F)(F)F"	"TZBRFAASYWFUGK-UHFFFAOYSA-N"	"InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)"	""	""	""
"2689"	"L-796449"	""	"Synthetic organic"	""	""	""	""	"135650497"	"9891946"	""	""	"CHEMBL278994"	""	""	""	""	"2-[3-chloro-4-[3-[(3-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propylsulfanyl]phenyl]acetic acid"	""	"L 796449|L-796,449|L796449"	"CCCc1c(OCCCSc2ccc(cc2Cl)CC(=O)O)ccc2c1occ2c1ccccc1"	"KAPDPGZDHUCILF-UHFFFAOYSA-N"	"InChI=1S/C28H27ClO4S/c1-2-7-22-25(12-11-21-23(18-33-28(21)22)20-8-4-3-5-9-20)32-14-6-15-34-26-13-10-19(16-24(26)29)17-27(30)31/h3-5,8-13,16,18H,2,6-7,14-15,17H2,1H3,(H,30,31)"	""	""	""
"2073"	"L-796,778"	""	"Synthetic organic"	""	""	""	""	"135650498"	"5311373"	""	""	""	""	""	""	""	"methyl (2S)-6-amino-2-[[(2R)-2-[[(2S)-1-[(4-nitrophenyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamoylamino]hexanoyl]amino]hexanoate"	""	"L-796778|L796778"	"NCCCC[C@@H](C(=O)OC)NC(=O)[C@H](NC(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])Cc1ccccc1)CCCC"	"KEATTYUTWJKTRT-DSITVLBTSA-N"	"InChI=1S/C29H40N6O7/c1-3-4-12-23(26(36)32-24(28(38)42-2)13-8-9-18-30)33-29(39)34-25(19-20-10-6-5-7-11-20)27(37)31-21-14-16-22(17-15-21)35(40)41/h5-7,10-11,14-17,23-25H,3-4,8-9,12-13,18-19,30H2,1-2H3,(H,31,37)(H,32,36)(H2,33,34,39)/t23-,24+,25+/m1/s1"	""	""	""
"2015"	"L-797,591"	""	"Synthetic organic"	""	""	""	""	"135650499"	"9938757"	""	""	""	""	""	""	""	"(2R)-N-(6-amino-2,2,4-trimethylhexyl)-3-naphthalen-1-yl-2-[(2-phenylethyl-(2-pyridin-2-ylethyl)carbamoyl)amino]propanamide"	""	"L797591"	"NCCC(CC(CNC(=O)[C@@H](Cc1cccc2c1cccc2)NC(=O)N(CCc1ccccn1)CCc1ccccc1)(C)C)C"	"MZKKCMXXGCRPGX-LMZJGDDPSA-N"	"InChI=1S/C38H49N5O2/c1-29(19-22-39)27-38(2,3)28-41-36(44)35(26-32-16-11-15-31-14-7-8-18-34(31)32)42-37(45)43(24-20-30-12-5-4-6-13-30)25-21-33-17-9-10-23-40-33/h4-18,23,29,35H,19-22,24-28,39H2,1-3H3,(H,41,44)(H,42,45)/t29?,35-/m1/s1"	""	""	""
"1941"	"L-798,106"	""	"Synthetic organic"	""	""	""	""	"135650500"	"15551229"	""	""	"CHEMBL218071"	""	""	""	""	"(E)-N-(5-bromo-2-methoxyphenyl)sulfonyl-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enamide"	""	"L-798106|L798106"	"COc1ccc(cc1S(=O)(=O)NC(=O)/C=C/c1ccccc1Cc1ccc2c(c1)cccc2)Br"	"ODTKFNUPVBULRJ-NTCAYCPXSA-N"	"InChI=1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+"	"yes"	""	""
"2082"	"L-803,087"	""	"Synthetic organic"	""	""	""	""	"135650501"	"5311374"	""	""	"CHEMBL1450103"	""	""	""	""	"methyl (2S)-5-(diaminomethylideneamino)-2-[4-(5,7-difluoro-2-phenyl-1H-indol-3-yl)butanoylamino]pentanoate"	""	"L803087"	"COC(=O)[C@@H](NC(=O)CCCc1c([nH]c2c1cc(F)cc2F)c1ccccc1)CCCN=C(N)N"	"OPNMQSFIGUSHDH-FQEVSTJZSA-N"	"InChI=1S/C25H29F2N5O3/c1-35-24(34)20(10-6-12-30-25(28)29)31-21(33)11-5-9-17-18-13-16(26)14-19(27)23(18)32-22(17)15-7-3-2-4-8-15/h2-4,7-8,13-14,20,32H,5-6,9-12H2,1H3,(H,31,33)(H4,28,29,30)/t20-/m0/s1"	""	""	""
"2016"	"L-817,818"	""	"Synthetic organic"	""	""	""	""	"135650502"	"5311375"	""	""	"CHEMBL252764"	""	""	""	""	"[(2S)-2-aminopropyl] (2S)-6-amino-2-[[2-(2-naphthalen-2-yl-1H-benzo[g]indol-3-yl)acetyl]amino]hexanoate"	""	"L 817818|L-817818|L817818"	"NCCCC[C@@H](C(=O)OC[C@@H](N)C)NC(=O)Cc1c([nH]c2c1ccc1c2cccc1)c1ccc2c(c1)cccc2"	"NFVRGDRCCNEGBS-LGGPFLRQSA-N"	"InChI=1S/C33H36N4O3/c1-21(35)20-40-33(39)29(12-6-7-17-34)36-30(38)19-28-27-16-15-23-9-4-5-11-26(23)32(27)37-31(28)25-14-13-22-8-2-3-10-24(22)18-25/h2-5,8-11,13-16,18,21,29,37H,6-7,12,17,19-20,34-35H2,1H3,(H,36,38)/t21-,29-/m0/s1"	""	""	""
"5844"	"L-826266"	""	"Synthetic organic"	""	""	""	""	"178102469"	"9808643"	""	""	""	""	""	""	""	"(E)-N-(5-bromo-2-methoxyphenyl)sulfonyl-3-[5-chloro-2-(naphthalen-2-ylmethyl)phenyl]prop-2-enamide"	""	"compound 10b [PMID: 11504634]|LS-193774|MF266-3"	"COc1ccc(cc1S(=O)(=O)NC(=O)/C=C/c1cc(Cl)ccc1Cc1ccc2c(c1)cccc2)Br"	"DYXFUJYHEDGCLS-UKTHLTGXSA-N"	"InChI=1S/C27H21BrClNO4S/c1-34-25-12-10-23(28)17-26(25)35(32,33)30-27(31)13-9-22-16-24(29)11-8-21(22)15-18-6-7-19-4-2-3-5-20(19)14-18/h2-14,16-17H,15H2,1H3,(H,30,31)/b13-9+"	""	""	""
"4241"	"L838417"	""	"Synthetic organic"	""	""	""	""	"178101058"	"9908880"	""	""	"CHEMBL373250"	""	""	""	""	"5-({[7-tert-butyl-3-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}methyl)-1-methyl-1H-1,2,4-triazole"	""	"L 838,417|L-838417"	"Fc1ccc(c(c1)c1nnc2n1nc(OCc1ncnn1C)c(c2)C(C)(C)C)F"	"BQDUNOMMYOKHEP-UHFFFAOYSA-N"	"InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3"	""	""	""
"7860"	"L873724"	""	"Synthetic organic"	""	""	""	""	"223366190"	"9913088"	""	""	"CHEMBL437501"	""	""	""	""	"(2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide"	""	"L-873724"	"CC(C[C@@H](C(=O)NCC#N)N[C@H](C(F)(F)F)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)C)C"	"VYFDSJLOCIGIKP-SFTDATJTSA-N"	"InChI=1S/C23H26F3N3O3S/c1-15(2)14-20(22(30)28-13-12-27)29-21(23(24,25)26)18-6-4-16(5-7-18)17-8-10-19(11-9-17)33(3,31)32/h4-11,15,20-21,29H,13-14H2,1-3H3,(H,28,30)/t20-,21-/m0/s1"	""	""	""
"1880"	"L-888,291"	""	"Synthetic organic"	""	""	""	""	"135650503"	"44450494"	""	""	"CHEMBL264421"	""	""	""	""	"2-{9-[(4-chlorophenyl)sulfanyl]-6-fluoro-1H,2H,3H-benzo[b]pyrrolizin-1-yl}acetic acid"	""	"L-883,595"	"OC(=O)CC1CCn2c1c(Sc1ccc(cc1)Cl)c1c2cc(cc1)F"	"GSBAVONRPNJJOH-UHFFFAOYSA-N"	"InChI=1S/C19H15ClFNO2S/c20-12-1-4-14(5-2-12)25-19-15-6-3-13(21)10-16(15)22-8-7-11(18(19)22)9-17(23)24/h1-6,10-11H,7-9H2,(H,23,24)"	""	""	""
"1907"	"L-888,607"	""	"Synthetic organic"	""	""	""	""	"135650504"	"44403763"	""	""	"CHEMBL370606"	""	""	""	""	"2-[(1S)-9-[(4-chlorophenyl)sulfanyl]-6-fluoro-1H,2H,3H-benzo[b]pyrrolizin-1-yl]acetic acid"	""	"L-888607"	"OC(=O)C[C@@H]1CCn2c1c(Sc1ccc(cc1)Cl)c1c2cc(cc1)F"	"GSBAVONRPNJJOH-NSHDSACASA-N"	"InChI=1S/C19H15ClFNO2S/c20-12-1-4-14(5-2-12)25-19-15-6-3-13(21)10-16(15)22-8-7-11(18(19)22)9-17(23)24/h1-6,10-11H,7-9H2,(H,23,24)/t11-/m0/s1"	""	""	""
"3357"	"L902688"	""	"Synthetic organic"	""	""	""	""	"178100383"	"11316084"	""	""	"CHEMBL1956373"	""	""	""	""	"(5R)-5-[(1E,3R)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-1,2,3,4-tetrazol-5-yl)hexyl]pyrrolidin-2-one"	""	"8-aza-1-decarboxy-11-deoxy-16,16-difluoro-16-phenyl-&omega;-tetranor-1-(5-tetrazolo) PGE1"	"O=C1CC[C@@H](N1CCCCCCc1nnn[nH]1)/C=C/[C@H](C(c1ccccc1)(F)F)O"	"WPTLQOYLIXWRNN-SLKVGHROSA-N"	"InChI=1S/C21H27F2N5O2/c22-21(23,16-8-4-3-5-9-16)18(29)13-11-17-12-14-20(30)28(17)15-7-2-1-6-10-19-24-26-27-25-19/h3-5,8-9,11,13,17-18,29H,1-2,6-7,10,12,14-15H2,(H,24,25,26,27)/b13-11+/t17-,18+/m0/s1"	""	""	""
"389"	"L-97-1"	""	"Synthetic organic"	""	""	""	""	"135650505"	"11627742"	""	""	""	""	""	""	""	"3-[2-(4-aminophenyl)ethyl]-7-[2-(ethyl-(2-hydroxyethyl)amino)ethyl]-8-(phenylmethyl)-1-propylpurine-2,6-dione"	""	""	"OCCN(CCn1c(Cc2ccccc2)nc2c1c(=O)n(CCC)c(=O)n2CCc1ccc(cc1)N)CC"	"QVEHDKFBFDUCEZ-UHFFFAOYSA-N"	"InChI=1S/C29H38N6O3/c1-3-15-35-28(37)26-27(34(29(35)38)16-14-22-10-12-24(30)13-11-22)31-25(21-23-8-6-5-7-9-23)33(26)18-17-32(4-2)19-20-36/h5-13,36H,3-4,14-21,30H2,1-2H3"	""	""	""
"7207"	"labetalol"	""	"Synthetic organic"	"yes"	""	""	""	"178103782"	"3869"	""	""	"CHEMBL429"	""	""	""	""	"2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzene-1-carboximidic acid"	"labetalol"	"AH-5158A|Normodyne&reg;|SCH-15719W|Trandate&reg;"	"CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O"	"SGUAFYQXFOLMHL-UHFFFAOYSA-N"	"InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)"	""	""	""
"8251"	"labetuzumab"	""	"Antibody"	""	""	""	""	"249565931"	"0"	""	""	""	""	""	""	""	""	"labetuzumab"	"CEACIDE&reg;|hMN14"	""	""	""	""	""	""
"8252"	"labetuzumab govitecan"	""	"Antibody"	""	""	""	""	"249565932"	"0"	""	""	""	""	""	""	""	""	"labetuzumab govitecan"	"hMN-14-SN-38|hMN-14-SN-38 ADC|IMMU 130|IMMU-130"	""	""	""	""	""	""
"672"	"labradimil"	""	"Peptide"	""	""	""	""	"135652255"	"6918284"	""	""	"CHEMBL2105864"	""	""	""	""	"(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-methoxyphenyl)propyl]amino]-5-(diaminomethylideneamino)pentanoic acid"	"labradimil"	"[Hyp<sup>3</sup>,Thi<sup>5</sup>,4-Me-Tyr<sup>8</sup>&psi;(CH<sub>2</sub>-NH)Arg<sup>9</sup>]bradykinin|cereport|lobradimil|RMP-7"	"COc1ccc(cc1)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)N)O)CO)CN[C@H](C(=O)O)CCCN=C(N)N"	"IDXCXSCCZNCXCL-XMADEQCMSA-N"	"InChI=1S/C49H75N15O12S/c1-76-31-14-12-28(13-15-31)21-29(24-57-34(47(74)75)9-3-17-56-49(53)54)59-43(70)37-10-4-18-62(37)45(72)36(27-65)61-41(68)35(23-32-7-6-20-77-32)60-40(67)25-58-42(69)39-22-30(66)26-64(39)46(73)38-11-5-19-63(38)44(71)33(50)8-2-16-55-48(51)52/h6-7,12-15,20,29-30,33-39,57,65-66H,2-5,8-11,16-19,21-27,50H2,1H3,(H,58,69)(H,59,70)(H,60,67)(H,61,68)(H,74,75)(H4,51,52,55)(H4,53,54,56)/t29-,30+,33-,34-,35-,36-,37-,38-,39-/m0/s1"	""	""	""
"12870"	"labuxtinib"	""	"Synthetic organic"	""	""	""	""	"485205991"	"71280305"	""	""	"CHEMBL3962292"	""	""	""	""	"N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide"	"labuxtinib"	"Compound 1 [WO2022109595]|example F91 [WO2013033070]|THB-335|THB335"	"F[C@@H]1[C@H](C1)C2=NC(=NO2)C=3C=CC(=C(C3)NC(=O)C4=CN=C5N4C=CC=C5)C"	"RHNJOZCVGSBEAG-KBPBESRZSA-N"	"InChI=1S/C20H16FN5O2/c1-11-5-6-12(18-24-20(28-25-18)13-9-14(13)21)8-15(11)23-19(27)16-10-22-17-4-2-3-7-26(16)17/h2-8,10,13-14H,9H2,1H3,(H,23,27)/t13-,14-/m0/s1"	"yes"	""	""
"11740"	"lacidipine"	""	"Synthetic organic"	"yes"	""	""	""	"458923775"	"5311217"	""	""	""	""	""	""	""	"diethyl 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate"	"lacidipine"	"GR-43659X|GR43659X|GX 1048|GX-1048|GX1048|Lacipil&reg;|Molap&reg;|Motens&reg;"	"CCOC(=O)C1=C(NC(=C(C1c1ccccc1/C=C/C(=O)OC(C)(C)C)C(=O)OCC)C)C"	"GKQPCPXONLDCMU-CCEZHUSRSA-N"	"InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+"	""	""	""
"7472"	"lacosamide"	""	"Synthetic organic"	"yes"	""	""	""	"187051775"	"219078"	""	""	"CHEMBL58323"	""	""	""	""	"(2R)-2-acetamido-3-methoxy-N-(phenylmethyl)propanamide"	"lacosamide"	"ADD 234037|erlosamide|harkeroside|SPM 927|Vimpat&reg;"	"COC[C@H](C(=O)NCc1ccccc1)NC(=O)C"	"VPPJLAIAVCUEMN-GFCCVEGCSA-N"	"InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1"	""	""	""
"14494"	"Lac-Phe"	""	"Synthetic organic"	""	""	""	""	"528429815"	"11075454"	""	""	""	""	""	""	""	"(2S)-2-[[(2S)-2-hydroxypropanoyl]amino]-3-phenylpropanoic acid"	""	"Lactoyl Phenylalanine|N-L-lactoyl-Phe|N-Lactoyl-Phe|N-lactoyl-phenylalanine"	"C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)O"	"IIRJJZHHNGABMQ-WPRPVWTQSA-N"	"InChI=1S/C12H15NO4/c1-8(14)11(15)13-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,15)(H,16,17)/t8-,10-/m0/s1"	""	""	""
"13900"	"lactisole"	""	"Synthetic organic"	""	""	""	""	"513757585"	"151199"	""	""	"CHEMBL573448"	""	""	""	""	"2-(4-methoxyphenoxy)propanoic acid"	""	"(&plusmn;)-lactisole|2-PMP-PA"	"CC(C(=O)O)OC1=CC=C(C=C1)OC"	"MIEKOFWWHVOKQX-UHFFFAOYSA-N"	"InChI=1S/C10H12O4/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9/h3-7H,1-2H3,(H,11,12)"	""	""	""
"11022"	"lactivicin"	""	"Natural product"	""	""	""	""	"405560463"	"9881937"	""	""	"CHEMBL1909427"	""	""	""	""	"2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylic acid"	""	"compound 1 [PMID: 17676039]|LTV"	"CC(=O)NC1CON(C1=O)C1(CCC(=O)O1)C(=O)O"	"ZUEKKUYIXILDAF-UHFFFAOYSA-N"	"InChI=1S/C10H12N2O7/c1-5(13)11-6-4-18-12(8(6)15)10(9(16)17)3-2-7(14)19-10/h6H,2-4H2,1H3,(H,11,13)(H,16,17)"	""	""	"yes"
"10228"	"lactomedin 1"	""	"Peptide"	""	""	""	""	"381744910"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"12499"	"lactucopicrin"	""	"Natural product"	""	""	""	""	"479821289"	"174880"	""	""	""	""	""	""	""	"[(3aR,4S,9aS,9bR)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate"	""	"lactopicrin|lactupicrin"	"CC1=C2[C@@H]([C@@H]3[C@@H]([C@H](C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3)C(=CC2=O)CO"	"UMVSOHBRAQTGQI-XGARDCMYSA-N"	"InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3/t17-,20+,21-,22-/m0/s1"	""	""	""
"14662"	"lacutamab"	""	"Antibody"	""	""	""	""	"530846910"	"0"	""	""	""	""	""	""	""	""	"lacutamab"	"IPH-4102|IPH4102"	""	""	""	"yes"	""	""
"8014"	"laduviglusib"	""	"Synthetic organic"	""	""	""	""	"249565694"	"9956119"	""	""	"CHEMBL412142"	""	""	""	""	"6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile"	"laduviglusib"	"CHIR 99021|CHIR-99021|CHIR99021|CT-99021|CT99021"	"N#Cc1ccc(nc1)NCCNc1ncc(c(n1)c1ccc(cc1Cl)Cl)c1ncc([nH]1)C"	"AQGNHMOJWBZFQQ-UHFFFAOYSA-N"	"InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)"	""	""	""
"720"	"L-alanine"	""	"Metabolite"	""	""	""	""	"135651498"	"5950"	""	""	"CHEMBL279597"	""	""	""	""	"(2S)-2-aminopropanoic acid"	"alanine"	"L-Ala"	"C[C@@H](C(=O)O)N"	"QNAYBMKLOCPYGJ-REOHCLBHSA-N"	"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1"	""	""	""
"5217"	"L-&alpha;-methyldopa"	""	"Synthetic organic"	"yes"	""	""	""	"178101902"	"38853"	""	""	"CHEMBL459"	""	""	""	""	"(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid"	"methyldopa"	"Aldomet&reg;|Aldoril&reg;|Dopamet&reg;|L-&alpha;-Methyl-3,4-dihydroxyphenylalanine"	"OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C"	"CJCSPKMFHVPWAR-JTQLQIEISA-N"	"InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1"	""	""	""
"12673"	"lamivudine"	""	"Synthetic organic"	"yes"	""	""	""	"483123221"	"60825"	""	""	"CHEMBL141"	""	""	""	""	"4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one"	"lamivudine"	"BCH-189|BCH189|Epivir&reg;|GR-109714X"	"C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N"	"JTEGQNOMFQHVDC-NKWVEPMBSA-N"	"InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1"	""	""	""
"2622"	"lamotrigine"	""	"Synthetic organic"	"yes"	""	""	""	"135650506"	"3878"	""	""	"CHEMBL741"	""	""	""	""	"6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine"	"lamotrigine"	"Lamictal&reg;"	"Nc1nnc(c(n1)N)c1cccc(c1Cl)Cl"	"PYZRQGJRPPTADH-UHFFFAOYSA-N"	"InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)"	""	""	""
"8294"	"lampalizumab"	""	"Antibody"	""	""	""	""	"252166506"	"0"	""	""	""	""	""	""	""	""	"lampalizumab"	"anti-factor D|FCFD4514S|RG7417"	""	""	""	""	""	""
"7789"	"lanabecestat"	""	"Synthetic organic"	""	""	""	""	"223366120"	"67979346"	""	""	""	""	""	""	""	"4-methoxy-5'-methyl-6'-(5-(prop-1-yn-1-yl)pyridin-3-yl)-3'H-dispiro(cyclohexane-1,2'-inden-1',2'-imidazol)-4'-amine"	"lanabecestat"	"AZD 3293|AZD-3293|LY3314814"	"CC#Cc1cncc(c1)c1ccc2c(c1)[C@]1(N=C(C(=N1)C)N)C1(C2)CCC(CC1)OC"	"WKDNQONLGXOZRG-BOPKNSRXSA-N"	"InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22?,25?,26-/m0/s1"	""	""	""
"9094"	"lanadelumab"	""	"Antibody"	"yes"	""	""	""	"315661179"	"0"	""	""	""	""	""	""	""	""	"lanadelumab"	"DX-2930|lanadelumab-flyo|Takhzyro&reg;|X124-G01"	""	""	""	""	""	""
"13192"	"landiolol"	""	"Synthetic organic"	"yes"	""	""	""	"491299974"	"114905"	""	""	"CHEMBL1742466"	""	""	""	""	"[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-[4-[(2S)-2-hydroxy-3-[2-(morpholine-4-carbonylamino)ethylamino]propoxy]phenyl]propanoate"	"landiolol"	"ONO-1101|ONO1101|Rapiblyk&reg;"	"CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@H](CNCCNC(=O)N3CCOCC3)O)C"	"WMDSZGFJQKSLLH-RBBKRZOGSA-N"	"InChI=1S/C25H39N3O8/c1-25(2)35-18-22(36-25)17-34-23(30)8-5-19-3-6-21(7-4-19)33-16-20(29)15-26-9-10-27-24(31)28-11-13-32-14-12-28/h3-4,6-7,20,22,26,29H,5,8-18H2,1-2H3,(H,27,31)/t20-,22+/m0/s1"	""	""	""
"8730"	"landogrozumab"	""	"Antibody"	""	""	""	""	"252827388"	"0"	""	""	""	""	""	""	""	""	"landogrozumab"	"LY-2495655|LY2495655"	""	""	""	""	""	""
"3510"	"lanepitant"	""	"Synthetic organic"	""	""	""	""	"178100496"	"3086681"	""	""	"CHEMBL42407"	""	""	""	""	"N-[(2R)-1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide"	"lanepitant"	"LY 303870|LY-303870|LY303870"	"COc1ccccc1CN(C(=O)C)C[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCC(CC1)N1CCCCC1"	"CVXJAPZTZWLRBP-MUUNZHRXSA-N"	"InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-4-7-13-32(26)41-2)23-28(20-27-21-34-31-12-6-5-11-30(27)31)35-33(40)24-36-18-14-29(15-19-36)37-16-8-3-9-17-37/h4-7,10-13,21,28-29,34H,3,8-9,14-20,22-24H2,1-2H3,(H,35,40)/t28-/m1/s1"	""	""	""
"7681"	"lanicemine"	""	"Synthetic organic"	""	""	""	""	"223366016"	"9794203"	""	""	"CHEMBL467084"	""	""	""	""	"(1S)-1-phenyl-2-pyridin-2-ylethanamine"	"lanicemine"	"AR-R15896AR|ARL 15896|AZD-6765|AZD6765"	"N[C@H](c1ccccc1)Cc1ccccn1"	"FWUQWDCOOWEXRY-ZDUSSCGKSA-N"	"InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2/t13-/m0/s1"	""	""	""
"12737"	"lanifibranor"	""	"Synthetic organic"	""	""	""	""	"483123285"	"68677842"	""	""	"CHEMBL4091374"	""	""	""	""	""	"lanifibranor"	"compound 5 [PMID: 29446942]|IVA-337|IVA337"	"ClC1=CC=C2N(S(=O)(C3=CC=4SC=NC4C=C3)=O)C(CCCC(O)=O)=CC2=C1"	"OQDQIFQRNZIEEJ-UHFFFAOYSA-N"	"InChI=1S/C19H15ClN2O4S2/c20-13-4-7-17-12(8-13)9-14(2-1-3-19(23)24)22(17)28(25,26)15-5-6-16-18(10-15)27-11-21-16/h4-11H,1-3H2,(H,23,24)"	""	""	""
"11789"	"laniquidar"	""	"Synthetic organic"	""	""	""	""	"458923824"	"6450806"	""	""	"CHEMBL539378"	""	""	""	""	"methyl 11-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]piperidin-4-ylidene]-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carboxylate"	"laniquidar"	""	"COC(=O)c1cnc2n1CCc1ccccc1C2=C1CCN(CC1)CCc1ccc(cc1)OCc1nc2ccccc2cc1"	"TULGGJGJQXESOO-UHFFFAOYSA-N"	"InChI=1S/C37H36N4O3/c1-43-37(42)34-24-38-36-35(32-8-4-2-6-27(32)19-23-41(34)36)29-17-21-40(22-18-29)20-16-26-10-14-31(15-11-26)44-25-30-13-12-28-7-3-5-9-33(28)39-30/h2-15,24H,16-23,25H2,1H3"	""	""	""
"14318"	"lanopepden"	""	"Synthetic organic"	""	""	""	""	"523352110"	"52918384"	""	""	"CHEMBL3301608"	""	""	""	""	"N-[(2R)-3-[2-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide"	"lanopepden"	"GSK1322322"	"CC1=NC(=C(C(=N1)N2CCN3CCOC[C@@H]3C2)F)NNC(=O)[C@H](CC4CCCC4)CN(C=O)O"	"SWHNZGMQMGFQGW-MSOLQXFVSA-N"	"InChI=1S/C22H34FN7O4/c1-15-24-20(19(23)21(25-15)29-7-6-28-8-9-34-13-18(28)12-29)26-27-22(32)17(11-30(33)14-31)10-16-4-2-3-5-16/h14,16-18,33H,2-13H2,1H3,(H,27,32)(H,24,25,26)/t17-,18+/m1/s1"	""	""	"yes"
"14660"	"lanoracopan"	""	"Synthetic organic"	"yes"	""	""	""	"530846908"	"164517045"	""	""	""	""	""	""	""	"4-((2S,4S)-4-(cyclopropylmethoxy)-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid"	"lanoracopan"	"Example 5 target compound [WO2022028507]|MY 008211A|MY-008|Yishining&reg; (China)"	"CC1=CC(=C(C2=C1NC=C2)CN3CC[C@@H](C[C@H]3C4=CC=C(C=C4)C(=O)O)OCC5CC5)OC"	"YJJUEZFALZMWAP-URXFXBBRSA-N"	"InChI=1S/C27H32N2O4/c1-17-13-25(32-2)23(22-9-11-28-26(17)22)15-29-12-10-21(33-16-18-3-4-18)14-24(29)19-5-7-20(8-6-19)27(30)31/h5-9,11,13,18,21,24,28H,3-4,10,12,14-16H2,1-2H3,(H,30,31)/t21-,24-/m0/s1"	"yes"	""	""
"2746"	"lanosterol"	""	"Metabolite"	""	""	""	""	"135651499"	"246983"	""	""	"CHEMBL225111"	""	""	""	""	"(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol"	""	"(3&beta;)-lanosta-8,24-dien-3-ol|(3&beta;,20R)-lanosta-8,24-dien-3-ol|lanosterin"	"CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)C"	"CAHGCLMLTWQZNJ-BQNIITSRSA-N"	"InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1"	""	""	""
"9764"	"lanraplenib"	""	"Synthetic organic"	""	""	""	""	"354702237"	"118161062"	""	""	""	""	""	""	""	"6-(6-aminopyrazin-2-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine"	"lanraplenib"	"compound 39 [PMID: 32292557]|Ex.-2, US9290505|example 2 [US9290505]|GS-9876|GS9876"	"Nc1cncc(n1)c1cn2ccnc2c(n1)Nc1ccc(cc1)N1CCN(CC1)C1COC1"	"XCIGZBVOUQVIPI-UHFFFAOYSA-N"	"InChI=1S/C23H25N9O/c24-21-12-25-11-19(28-21)20-13-32-6-5-26-23(32)22(29-20)27-16-1-3-17(4-2-16)30-7-9-31(10-8-30)18-14-33-15-18/h1-6,11-13,18H,7-10,14-15H2,(H2,24,28)(H,27,29)"	"yes"	""	""
"2031"	"lanreotide"	""	"Peptide"	"yes"	""	""	""	"135652022"	"71349"	""	""	""	""	""	""	""	"10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide"	"lanreotide"	"BIM 23014|DC 13-116|lanreotide acetate|Somatuline&reg;"	"NCCCCC1NC(=O)C(NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(=O)N)C(O)C)NC(=O)C(Cc1ccc2c(c1)cccc2)N)Cc1c[nH]c2c1cccc2"	"PUDHBTGHUJUUFI-UHFFFAOYSA-N"	"InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)"	""	""	""
"7208"	"lansoprazole"	""	"Synthetic organic"	"yes"	""	""	""	"178103783"	"3883"	""	""	"CHEMBL480"	""	""	""	""	"2-{[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanesulfinyl}-1H-1,3-benzodiazole"	"lansoprazole"	"A-65006|AG-1749|Prevacid&reg;"	"O=S(c1nc2c([nH]1)cccc2)Cc1nccc(c1C)OCC(F)(F)F"	"MJIHNNLFOKEZEW-UHFFFAOYSA-N"	"InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)"	""	""	""
"1410"	"L-AP4"	""	"Synthetic organic"	""	""	""	""	"135650507"	"179394"	""	""	"CHEMBL33567"	""	""	""	""	"(2S)-2-amino-4-phosphonobutanoic acid"	""	"L-2-amino-4-phosphonobutiric acid|S-2-amino-4-phosphonobutyrate"	"OC(=O)[C@H](CCP(=O)(O)O)N"	"DDOQBQRIEWHWBT-VKHMYHEASA-N"	"InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1"	""	""	""
"5692"	"lapatinib"	""	"Synthetic organic"	"yes"	""	""	""	"178102319"	"208908"	""	""	"CHEMBL554"	""	""	""	""	"N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine"	"lapatinib"	"FMM|GW 572016|GW572016|Tykerb&reg;|Tyverb&reg;"	"Fc1cccc(c1)COc1ccc(cc1Cl)Nc1ncnc2c1cc(cc2)c1ccc(o1)CNCCS(=O)(=O)C"	"BCFGMOOMADDAQU-UHFFFAOYSA-N"	"InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)"	""	""	""
"7639"	"laquinimod"	""	"Synthetic organic"	""	""	""	""	"223365974"	"54677946"	""	""	"CHEMBL66092"	""	""	""	""	"5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide"	""	"ABR-215062|TV-5600"	"CCN(C(=O)c1c(O)c2c(Cl)cccc2n(c1=O)C)c1ccccc1"	"GKWPCEFFIHSJOE-UHFFFAOYSA-N"	"InChI=1S/C19H17ClN2O3/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24/h4-11,23H,3H2,1-2H3"	""	""	""
"13724"	"larazotide"	""	"Peptide"	""	""	""	""	"507750358"	"9810532"	""	""	"CHEMBL2105646"	""	""	""	""	"2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid"	"larazotide"	"AT-1001|AT-2347|AT1001|AT2347"	"CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CN"	"ORFLZNAGUTZRLQ-ZMBVWFSWSA-N"	"InChI=1S/C32H55N9O10/c1-16(2)12-20(38-30(49)26(17(3)4)39-24(44)14-35-23(43)13-33)28(47)40-27(18(5)6)31(50)37-19(9-10-22(34)42)32(51)41-11-7-8-21(41)29(48)36-15-25(45)46/h16-21,26-27H,7-15,33H2,1-6H3,(H2,34,42)(H,35,43)(H,36,48)(H,37,50)(H,38,49)(H,39,44)(H,40,47)(H,45,46)/t19-,20-,21-,26-,27-/m0/s1"	""	""	""
"1576"	"large neuromedin N"	"Human"	"Peptide"	""	""	""	""	"135652256"	"0"	"P30990"	"ENSG00000133636"	""	""	""	""	""	""	""	"large NN|NmN-125"	""	""	""	""	""	""
"5304"	"large neuromedin N"	"Rat"	"Peptide"	""	""	""	""	"178101986"	"0"	"P20068"	"ENSRNOG00000004179"	""	""	""	""	""	""	""	"NmN-125"	""	""	""	""	""	""
"5303"	"large neuromedin N"	"Mouse"	"Peptide"	""	""	""	""	"178101985"	"0"	"Q9D3P9"	"ENSMUSG00000019890"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1577"	"large neurotensin"	"Human"	"Peptide"	""	""	""	""	"135652257"	"0"	"P30990"	"ENSG00000133636"	""	""	""	""	""	""	""	"large NT"	""	""	""	""	""	""
"11143"	"Large proline-rich protein BAG6"	""	"Peptide"	""	""	""	""	"434122203"	"0"	""	""	""	""	""	""	""	""	""	"BAG6"	""	""	""	"yes"	""	""
"721"	"L-arginine"	""	"Metabolite"	""	""	""	""	"135651500"	"6322"	""	""	"CHEMBL1485"	""	""	""	""	"(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid"	"argimesna"	"L-Arg"	"OC(=O)[C@H](CCCN=C(N)N)N"	"ODKSFYDXXFIFQN-BYPYZUCNSA-N"	"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1"	""	""	""
"5324"	"L-argininosuccinic acid"	""	"Metabolite"	""	""	""	""	"53801007"	"16950"	""	""	""	""	""	""	""	"(2S)-2-[[N'-[(4S)-4-amino-5-hydroxy-5-oxopentyl]carbamimidoyl]amino]butanedioic acid"	""	"L-arginosuccinate|L-arginosuccinic acid"	"N=C(N[C@H](C(=O)O)CC(=O)O)NCCC[C@@H](C(=O)O)N"	"KDZOASGQNOPSCU-WDSKDSINSA-N"	"InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1"	""	""	""
"14119"	"lariocidin"	""	"Peptide"	""	""	""	""	"518520746"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"
"10295"	"larixyl acetate"	""	"Synthetic organic"	""	""	""	""	"381744976"	"91746934"	""	""	""	""	""	""	""	"[(4aS)-4-(3-acetyloxy-3-methylpent-4-enyl)-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate"	""	""	"C=CC(OC(=O)C)(CCC1C(=C)CC(C2C1(C)CCCC2(C)C)OC(=O)C)C"	"CFEOXVWJRPHLSF-UHFFFAOYSA-N"	"InChI=1S/C24H38O4/c1-9-23(7,28-18(4)26)14-11-19-16(2)15-20(27-17(3)25)21-22(5,6)12-10-13-24(19,21)8/h9,19-21H,1-2,10-15H2,3-8H3"	""	""	""
"3356"	"laropiprant"	""	"Synthetic organic"	""	""	""	""	"178100382"	"9867642"	""	""	"CHEMBL426559"	""	""	""	""	"2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methanesulfonyl-1H,2H,3H,4H-cyclopenta[b]indol-3-yl]acetic acid"	"laropiprant"	"MK-0524|MK0524"	"OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F"	"NXFFJDQHYLNEJK-CYBMUJFWSA-N"	"InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1"	""	""	""
"13419"	"laroprovstat"	""	"Synthetic organic"	""	""	""	""	"496703389"	"154653847"	""	""	""	""	""	""	""	"1-[6-[[(1S,3S)-3-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]cyclopentyl]amino]pyridin-3-yl]pyridin-2-one"	"laroprovstat"	"AZD-0780|AZD0780|example 458B [US11248001B2]"	"FC(F)OC1=CN=C(N[C@H]2CC[C@@H](C2)NC3=CC=C(C=N3)N4C=CC=CC4=O)N=C1"	"NCHUWRLOTSAFFN-KBPBESRZSA-N"	"InChI=1S/C20H20F2N6O2/c21-19(22)30-16-11-24-20(25-12-16)27-14-5-4-13(9-14)26-17-7-6-15(10-23-17)28-8-2-1-3-18(28)29/h1-3,6-8,10-14,19H,4-5,9H2,(H,23,26)(H,24,25,27)/t13-,14-/m0/s1"	""	""	""
"8909"	"larotrectinib"	""	"Synthetic organic"	"yes"	""	""	""	"310264690"	"46188928"	""	""	""	""	""	""	""	"(3S)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide"	"larotrectinib"	"(S)-N-(5-((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide|example 14 [US8865698 B2]|LOXO-101|Vitrakvi&reg;"	"O[C@H]1CCN(C1)C(=O)Nc1cnn2c1nc(cc2)N1CCC[C@@H]1c1cc(F)ccc1F"	"NYNZQNWKBKUAII-KBXCAEBGSA-N"	"InChI=1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1"	""	""	""
"12319"	"lartesertib"	""	"Synthetic organic"	""	""	""	""	"479821110"	"122599280"	""	""	""	""	""	""	""	"8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxypyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one"	"lartesertib"	"compound 1M [PMID: 34662544]|M-4076|M4076"	"Cc1nn(cc1c1c(cc2c(c1)c1c(cn2)n(c(=O)n1c1c(cncc1OC)F)C)OC)C"	"WNEFOSMCGCLLJU-UHFFFAOYSA-N"	"InChI=1S/C23H21FN6O3/c1-12-15(11-28(2)27-12)13-6-14-17(7-19(13)32-4)26-9-18-21(14)30(23(31)29(18)3)22-16(24)8-25-10-20(22)33-5/h6-11H,1-5H3"	""	""	""
"13745"	"larubrilstat"	""	"Synthetic organic"	""	""	""	""	"507750378"	"167014213"	""	""	""	""	""	""	""	"[2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone"	"larubrilstat"	"Compound 2-1 [US20240083873A1]"	"N1=C2C(=CC=C1)[C@@H](CC2)NC3=NC=C(C=N3)C(=O)N4CC5(CC4)CCOCC5"	"WSBBIJRYOPKHQG-GOSISDBHSA-N"	"InChI=1S/C21H25N5O2/c27-19(26-9-5-21(14-26)6-10-28-11-7-21)15-12-23-20(24-13-15)25-18-4-3-17-16(18)2-1-8-22-17/h1-2,8,12-13,18H,3-7,9-11,14H2,(H,23,24,25)/t18-/m1/s1"	""	""	""
"5617"	"LAS38096"	""	"Synthetic organic"	""	""	""	""	"178102251"	"11716665"	""	""	"CHEMBL375293"	""	""	""	""	"4-furan-2-yl-N-pyridin-3-yl-5-pyrimidin-4-ylpyrimidin-2-amine"	""	""	"n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1"	"YRPIMMMBNUUYLG-UHFFFAOYSA-N"	"InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)"	""	""	""
"4781"	"L-ascorbic acid"	""	"Metabolite"	""	""	""	""	"178101483"	"54670067"	""	""	"CHEMBL196"	""	""	""	""	"(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one"	"ascorbic acid"	"vitamin C"	"OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O"	"CIWBSHSKHKDKBQ-JLAZNSOCSA-N"	"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1"	""	""	""
"10823"	"lascufloxacin"	""	"Synthetic organic"	"yes"	""	""	""	"405560264"	"71528768"	""	""	""	""	""	""	""	"7-[(3S,4S)-3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-6-fluoro-1-(2-fluoroethyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid"	"lascufloxacin"	"KRP-AM1977|Lasvic&reg;"	"FCCn1cc(C(=O)O)c(=O)c2c1c(OC)c(N1C[C@@H]([C@@H](C1)F)CNC1CC1)c(c2)F"	"ZFIOCUITTUUVPV-MEDUHNTESA-N"	"InChI=1S/C21H24F3N3O4/c1-31-20-17-13(19(28)14(21(29)30)9-26(17)5-4-22)6-15(23)18(20)27-8-11(16(24)10-27)7-25-12-2-3-12/h6,9,11-12,16,25H,2-5,7-8,10H2,1H3,(H,29,30)/t11-,16+/m0/s1"	""	""	"yes"
"3928"	"lasmiditan"	""	"Synthetic organic"	"yes"	""	""	""	"178100757"	"11610526"	""	""	"CHEMBL3039520"	""	""	""	""	"2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)pyridin-2-yl]benzamide"	"lasmiditan"	"COL-144|LY573144|Reyvow&reg;"	"CN1CCC(CC1)C(=O)c1cccc(n1)NC(=O)c1c(F)cc(cc1F)F"	"XEDHVZKDSYZQBF-UHFFFAOYSA-N"	"InChI=1S/C19H18F3N3O2/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,27)"	""	""	""
"13746"	"lasmotinib"	""	"Synthetic organic"	""	""	""	""	"507750379"	"130358571"	""	""	"CHEMBL4802136"	""	""	""	""	"3-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide"	"lasmotinib"	"PHI-101|PHI101"	"C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C#CC3=CC(=CC=C3)F)NC(=O)N"	"ULVAGWVTXBTFRN-AWEZNQCLSA-N"	"InChI=1S/C19H19FN4O2S/c20-13-4-1-3-12(9-13)6-7-15-10-16(24-19(21)26)17(27-15)18(25)23-14-5-2-8-22-11-14/h1,3-4,9-10,14,22H,2,5,8,11H2,(H,23,25)(H3,21,24,26)/t14-/m0/s1"	""	""	""
"7542"	"lasofoxifene"	""	"Synthetic organic"	""	""	""	""	"187051843"	"216416"	""	""	"CHEMBL328190"	""	""	""	""	"(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol"	"lasofoxifene"	"lasofoxifene tartrate"	"Oc1ccc2c(c1)CC[C@@H]([C@@H]2c1ccc(cc1)OCCN1CCCC1)c1ccccc1"	"GXESHMAMLJKROZ-IAPPQJPRSA-N"	"InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1"	""	""	""
"4533"	"L-asparagine"	""	"Metabolite"	""	""	""	""	"178101254"	"6267"	""	""	"CHEMBL58832"	""	""	""	""	"(2S)-2-amino-3-carbamoylpropanoic acid"	""	"L-Asn"	"NC(=O)C[C@@H](C(=O)O)N"	"DCXYFEDJOCDNAF-REOHCLBHSA-N"	"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1"	""	""	""
"3309"	"L-aspartic acid"	""	"Metabolite"	""	""	""	""	"135651597"	"5960"	""	""	"CHEMBL274323"	""	""	""	""	"(2S)-2-aminobutanedioic acid"	"aspartic acid"	"L-Asp|L-aspartate"	"OC(=O)C[C@@H](C(=O)O)N"	"CKLJMWTZIZZHCS-REOHCLBHSA-N"	"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1"	""	""	""
"11066"	"LASSBio-1524"	""	"Synthetic organic"	""	""	""	""	"405560507"	"52915756"	""	""	"CHEMBL1760505"	""	""	""	""	"N-[(E)-(4-nitrophenyl)methylideneamino]naphthalene-2-carboxamide"	""	""	"O=C(c1ccc2c(c1)cccc2)N/N=C/c1ccc(cc1)[N+](=O)[O-]"	"RUQCGNRXDVIDAJ-XDHOZWIPSA-N"	"InChI=1S/C18H13N3O3/c22-18(16-8-7-14-3-1-2-4-15(14)11-16)20-19-12-13-5-9-17(10-6-13)21(23)24/h1-12H,(H,20,22)/b19-12+"	"yes"	""	""
"5899"	"lasso D"	"Rat"	"Peptide"	""	""	""	""	"178102522"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14265"	"lassomycin"	""	"Peptide"	""	""	""	""	"521588905"	"102602724"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CN"	"NLWVIEFILMVVQV-OBXQOZEMSA-N"	"InChI=1S/C82H142N30O20/c1-12-45(10)59(40-113)111-75(129)57(36-61(85)115)110-70(124)51(25-19-31-97-82(92)93)102-67(121)48(22-16-28-94-79(86)87)100-63(117)39-98-78(132)65(44(8)9)112-77(131)55(34-43(6)7)108-71(125)52(26-27-60(84)114)105-76(130)58(37-64(118)119)106-66(120)46(11)99-72(126)56(35-47-20-14-13-15-21-47)109-74(128)54(33-42(4)5)107-69(123)50(24-18-30-96-81(90)91)103-68(122)49(23-17-29-95-80(88)89)104-73(127)53(32-41(2)3)101-62(116)38-83/h13-15,20-21,40-46,48-59,65H,12,16-19,22-39,83H2,1-11H3,(H2,84,114)(H2,85,115)(H,98,132)(H,99,126)(H,100,117)(H,101,116)(H,102,121)(H,103,122)(H,104,127)(H,105,130)(H,106,120)(H,107,123)(H,108,125)(H,109,128)(H,110,124)(H,111,129)(H,112,131)(H,118,119)(H4,86,87,94)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t45-,46-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59+,65-/m0/s1"	""	""	"yes"
"2434"	"La<sup>3+</sup>"	""	"Inorganic"	""	""	""	""	"135652740"	"104897"	""	""	""	""	""	""	""	""	""	"lanthanum ion"	""	""	""	""	""	""
"10527"	"LASW1393"	""	"Synthetic organic"	""	""	""	""	"387065609"	"71062030"	""	""	""	""	""	""	""	"2-[(1r,4r)-4-{8-oxo-2-[(2-oxo-1,2-dihydropyridin-3-yl)amino]-8,9-dihydro-7H-purin-9-yl}cyclohexyl]acetonitrile"	""	"compound 34 [PMID: 31609613]|LASW-1393"	"N#CC[C@@H]1CC[C@H](CC1)n1c(=O)[nH]c2c1nc(nc2)Nc1ccc[nH]c1=O"	"NIIBPFADTOPKBI-HAQNSBGRSA-N"	"InChI=1S/C18H19N7O2/c19-8-7-11-3-5-12(6-4-11)25-15-14(23-18(25)27)10-21-17(24-15)22-13-2-1-9-20-16(13)26/h1-2,9-12H,3-7H2,(H,20,26)(H,23,27)(H,21,22,24)/t11-,12-"	"yes"	""	""
"12031"	"latamoxef"	""	"Synthetic organic"	"yes"	""	""	""	"464244172"	"47499"	""	""	"CHEMBL74632"	""	""	""	""	"(6R,7R)-7-[[2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"latamoxef"	"6059-S|LY127935|moxalactam|Moxam&reg;"	"Cn1c(nnn1)SCC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)C(c2ccc(cc2)O)C(=O)O)OC)OC1)C(=O)O"	"JWCSIUVGFCSJCK-CAVRMKNVSA-N"	"InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12?,18-,20+/m1/s1"	""	""	"yes"
"9635"	"latanoprostene bunod"	""	"Synthetic organic"	"yes"	""	""	""	"340590265"	"11156438"	""	""	"CHEMBL2364612"	""	""	""	""	"4-nitrooxybutyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate"	"latanoprostene bunod"	"BOL-303259-X|NCX-116|PF-3187207|Vyzulta&reg;"	"O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O"	"LOVMMUBRQUFEAH-UIEAZXIASA-N"	"InChI=1S/C27H41NO8/c29-22(15-14-21-10-4-3-5-11-21)16-17-24-23(25(30)20-26(24)31)12-6-1-2-7-13-27(32)35-18-8-9-19-36-28(33)34/h1,3-6,10-11,22-26,29-31H,2,7-9,12-20H2/b6-1-/t22-,23+,24+,25-,26+/m0/s1"	""	""	""
"1960"	"latanoprost (free acid form)"	""	"Synthetic organic"	"yes"	""	""	""	"135650508"	"6441636"	""	""	"CHEMBL1050"	""	""	""	""	"(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid"	""	"latanoprost-free acid|PHXA85"	"O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O"	"HNPFPERDNWXAGS-NFVOFSAMSA-N"	"InChI=1S/C23H34O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,18-22,24-26H,2,7,10-16H2,(H,27,28)/b6-1-/t18-,19+,20+,21-,22+/m0/s1"	""	""	""
"1961"	"latanoprost (isopropyl ester)"	""	"Synthetic organic"	"yes"	""	""	""	"135650509"	"5311221"	""	""	"CHEMBL1051"	""	""	""	""	"propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate"	"latanoprost"	"PHXA-41|XA-41|Xalatan&reg;"	"O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O"	"GGXICVAJURFBLW-CEYXHVGTSA-N"	"InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1"	""	""	""
"13685"	"latozinemab"	""	"Antibody"	""	""	""	""	"507750319"	"0"	""	""	""	""	""	""	""	""	"latozinemab"	"AL-001|AL001"	""	""	""	""	""	""
"12404"	"LAU159"	""	"Synthetic organic"	""	""	""	""	"479821195"	"124111373"	""	""	"CHEMBL4087508"	""	""	""	""	"8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one"	""	"compound 16 [PMID: 23472852]|LAU 159|LAU-159"	"Clc1cc2c3c(c[nH]c2cc1)c(=O)n(n3)c1cc(ccc1)OC"	"WQYIIWQWPXNTAK-UHFFFAOYSA-N"	"InChI=1S/C17H12ClN3O2/c1-23-12-4-2-3-11(8-12)21-17(22)14-9-19-15-6-5-10(18)7-13(15)16(14)20-21/h2-9,19H,1H3"	""	""	""
"12405"	"LAU463"	""	"Synthetic organic"	""	""	""	""	"479821196"	"124111379"	""	""	"CHEMBL4092332"	""	""	""	""	""	""	"compound 8n [PMID: 29481759]"	"COC1=CC=C(C=C1)N2N=C3C(=CNC4=C3C=CC(Br)=C4)C2=O"	"CAJJWNTVLDPILI-UHFFFAOYSA-N"	"InChI=1S/C17H12BrN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-8-10(18)2-7-13(15)16(14)20-21/h2-9,19H,1H3"	""	""	""
"5534"	"lauric acid"	""	"Metabolite"	""	""	""	""	"178102176"	"3893"	""	""	"CHEMBL108766"	""	""	""	""	"Dodecanoic acid"	""	"dodecoic acid|dodecylic acid|duodecyclic acid|n-dodecanoic acid|vulvic acid"	"CCCCCCCCCCCC(=O)O"	"POULHZVOKOAJMA-UHFFFAOYSA-N"	"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)"	""	""	""
"13719"	"lavendustin A"	""	"Natural product"	""	""	""	""	"507750353"	"3894"	""	""	"CHEMBL103552"	""	""	""	""	"5-[(2,5-dihydroxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid"	""	"RG-14355|RG14355"	"C1=CC=C(C(=C1)CN(CC2=C(C=CC(=C2)O)O)C3=CC(=C(C=C3)O)C(=O)O)O"	"ULTTYPMRMMDONC-UHFFFAOYSA-N"	"InChI=1S/C21H19NO6/c23-16-6-8-19(25)14(9-16)12-22(11-13-3-1-2-4-18(13)24)15-5-7-20(26)17(10-15)21(27)28/h1-10,23-26H,11-12H2,(H,27,28)"	""	""	""
"14617"	"lavengratinib"	""	"Synthetic organic"	""	""	""	""	"530846865"	"156150646"	""	""	""	""	""	""	""	"3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one"	"lavengratinib"	"Example No. 15 [US12351576]"	"ClC1=C(C(=C(C=C1OC)OC)Cl)C=2C(N(C3=CC(=NC=C3C2)C=4C=NN(C4)CCN5CCOCC5)C)=O"	"SQMXIBXIVSOOII-UHFFFAOYSA-N"	"InChI=1S/C26H27Cl2N5O4/c1-31-20-11-19(17-14-30-33(15-17)5-4-32-6-8-37-9-7-32)29-13-16(20)10-18(26(31)34)23-24(27)21(35-2)12-22(36-3)25(23)28/h10-15H,4-9H2,1-3H3"	""	""	""
"6640"	"lazabemide"	""	"Synthetic organic"	""	""	""	""	"178103253"	"71307"	""	""	"CHEMBL279390"	""	""	""	""	"N-(2-aminoethyl)-5-chloropyridine-2-carboxamide"	"lazabemide"	""	"NCCNC(=O)c1ccc(cn1)Cl"	"JZXRLKWWVNUZRB-UHFFFAOYSA-N"	"InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)"	""	""	""
"10136"	"lazertinib"	""	"Synthetic organic"	"yes"	""	""	""	"381118846"	"121269225"	""	""	""	""	""	""	""	"N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxy-2-morpholin-4-ylphenyl]prop-2-enamide"	"lazertinib"	"Compound 73 [WO2016060443A2]|GNS-1480|GNS1480|Lazcluze&reg;|Leclaza&reg;|YH-25448|YH25448"	"C=CC(=O)Nc1cc(Nc2nccc(n2)n2cc(c(n2)c2ccccc2)CN(C)C)c(cc1N1CCOCC1)OC"	"RRMJMHOQSALEJJ-UHFFFAOYSA-N"	"InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34)"	""	""	""
"4686"	"L-azetidine-2-carboxylate"	""	"Natural product"	""	""	""	""	"178101400"	"16486"	""	""	"CHEMBL1165239"	""	""	""	""	"(2S)-azetidine-2-carboxylic acid"	""	""	"OC(=O)[C@@H]1CCN1"	"IADUEWIQBXOCDZ-VKHMYHEASA-N"	"InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1"	""	""	""
"10653"	"lazucirnon"	""	"Synthetic organic"	""	""	""	""	"404859100"	"59534386"	""	""	"CHEMBL3670800"	""	""	""	""	"2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide"	"lazucirnon"	"AKST-4290|AKST4290|ALK-4290|ALK4290|Example 11 [WO2012045803A1]"	"O=C([C@H]1CCC(=O)N1C1CCN(CC1)Cc1ccc(c(c1)C)Cl)Nc1nc(C)cc(c1)C(=O)N(C)C"	"DWKNOLCXIFYNFV-HSZRJFAPSA-N"	"InChI=1S/C27H34ClN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1"	"yes"	""	""
"11105"	"LB-100"	""	"Synthetic organic"	""	""	""	""	"434122166"	"45101433"	""	""	"CHEMBL4297300"	""	""	""	""	"(1R,4S)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid"	""	"LB100"	"CN1CCN(CC1)C(=O)C1[C@@H]2CC[C@H](C1C(=O)O)O2"	"JUQMLSGOTNKJKI-IZUQBHJASA-N"	"InChI=1S/C13H20N2O4/c1-14-4-6-15(7-5-14)12(16)10-8-2-3-9(19-8)11(10)13(17)18/h8-11H,2-7H2,1H3,(H,17,18)/t8-,9+,10?,11?/m0/s1"	""	""	""
"14441"	"LB10517"	""	"Synthetic organic"	""	""	""	""	"528429762"	"9577988"	""	""	""	""	""	""	""	"(6R,7R)-3-[(E)-3-(4-amino-6-iminopyrimidin-1-yl)prop-1-enyl]-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1S)-1-(3,4-dihydroxyphenyl)-2-hydroxy-2-oxoethoxy]iminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	""	"LK10517"	"C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N/O[C@@H](C3=CC(=C(C=C3)O)O)C(=O)O)/C4=CSC(=N4)N)C(=O)O)/C=C/CN5C=NC(=CC5=N)N"	"KIRBXZCFZVFSBG-MOLNTNENSA-N"	"InChI=1S/C27H25N9O9S2/c28-16-7-17(29)35(10-31-16)5-1-2-12-8-46-24-19(23(40)36(24)20(12)25(41)42)33-22(39)18(13-9-47-27(30)32-13)34-45-21(26(43)44)11-3-4-14(37)15(38)6-11/h1-4,6-7,9-10,19,21,24,29,37-38H,5,8,28H2,(H2,30,32)(H,33,39)(H,41,42)(H,43,44)/b2-1+,29-17?,34-18+/t19-,21+,24-/m1/s1"	""	""	"yes"
"8029"	"LB42708"	""	"Synthetic organic"	""	""	""	""	"249565709"	"10099206"	""	""	""	""	""	""	""	"[1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrol-3-yl]-morpholin-4-ylmethanone"	""	""	"Brc1ccc(cc1)Cn1cncc1Cn1cc(c(c1)c1cccc2c1cccc2)C(=O)N1CCOCC1"	"GUUIRIMAQGOLHT-UHFFFAOYSA-N"	"InChI=1S/C30H27BrN4O2/c31-24-10-8-22(9-11-24)17-35-21-32-16-25(35)18-33-19-28(27-7-3-5-23-4-1-2-6-26(23)27)29(20-33)30(36)34-12-14-37-15-13-34/h1-11,16,19-21H,12-15,17-18H2"	""	""	""
"8028"	"LB42908"	""	"Synthetic organic"	""	""	""	""	"249565708"	"91623355"	""	""	""	""	""	""	""	"1-(1-{[1-(3a,7a-dihydro-2H-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]methyl}-4-(naphthalen-1-yl)-1H-pyrrole-3-carbonyl)-4-methylpiperazine"	""	"LB 42908"	"CN1CCN(CC1)C(=O)c1cn(cc1c1cccc2c1cccc2)Cc1cncn1CC1=CC2C(C=C1)OCO2"	"VZWZHIJGBPHRDI-UHFFFAOYSA-N"	"InChI=1S/C32H33N5O3/c1-34-11-13-36(14-12-34)32(38)29-20-35(19-28(29)27-8-4-6-24-5-2-3-7-26(24)27)18-25-16-33-21-37(25)17-23-9-10-30-31(15-23)40-22-39-30/h2-10,15-16,19-21,30-31H,11-14,17-18,22H2,1H3"	""	""	""
"12536"	"LBA"	""	"Synthetic organic"	""	""	""	""	"479821326"	"2950887"	""	""	"CHEMBL4540384"	""	""	""	""	"4-chloro-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid"	""	""	"CC(OC1=CC=C(Cl)C=C1C)C(=O)NC2=C(C=CC(Cl)=C2)C(O)=O"	"OSXUWZRUCZLQBD-UHFFFAOYSA-N"	"InChI=1S/C17H15Cl2NO4/c1-9-7-11(18)4-6-15(9)24-10(2)16(21)20-14-8-12(19)3-5-13(14)17(22)23/h3-8,10H,1-2H3,(H,20,21)(H,22,23)"	""	""	""
"4625"	"L-&beta;-BA"	""	"Synthetic organic"	""	""	""	""	"178101343"	"11622683"	""	""	"CHEMBL458273"	""	""	""	""	"(2S,3S)-2-amino-3-(phenylmethyl)butanedioic acid"	""	"L-&beta;-threo-benzyl-aspartate"	"N[C@@H]([C@@H](C(=O)O)Cc1ccccc1)C(=O)O"	"KMVYGTIPJNGNRD-IUCAKERBSA-N"	"InChI=1S/C11H13NO4/c12-9(11(15)16)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1"	""	""	""
"4236"	"L-&beta;&gamma;-meATP"	""	"Synthetic organic"	""	""	""	""	"178101053"	"91532"	""	""	"CHEMBL133463"	""	""	""	""	"({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}methyl)phosphonic acid"	""	"&beta;&gamma;-methylene-adenosine 5'-triphosphate"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(CP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N"	"UFZTZBNSLXELAL-IOSLPCCCSA-N"	"InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1"	""	""	""
"11043"	"LBM-415"	""	"Synthetic organic"	""	""	""	""	"405560484"	"9690139"	""	""	"CHEMBL221667"	""	""	""	""	"(2S)-N-(5-fluoro-1-hydroxypyridin-2-ylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide"	""	"LBM415|NVP LBM-415|NVP-PDF-713|PDF-713|VIC-104959"	"CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N=c1ccc(cn1O)F)CN(C=O)O"	"AYCMYBACERJYNY-HIFRSBDPSA-N"	"InChI=1S/C18H25FN4O5/c1-2-3-5-13(10-21(27)12-24)18(26)22-9-4-6-15(22)17(25)20-16-8-7-14(19)11-23(16)28/h7-8,11-13,15,27-28H,2-6,9-10H2,1H3/t13-,15+/m1/s1"	""	""	"yes"
"12980"	"LC52-0332"	""	"Synthetic organic"	""	""	""	""	"485206101"	"169422751"	""	""	""	""	""	""	""	"(3S)-2-oxo-3-(4-{[3-phenyl-1-(propan-2-yl)-1H-indazol-6-yl]methoxy}phenyl)butanoic acid"	""	""	"CC(C)N1N=C(C2=C1C=C(COC3=CC=C(C=C3)[C@H](C)C(=O)C(O)=O)C=C2)C4=CC=CC=C4"	"NNGTYHAZCPUAKB-SFHVURJKSA-N"	"InChI=1S/C27H26N2O4/c1-17(2)29-24-15-19(9-14-23(24)25(28-29)21-7-5-4-6-8-21)16-33-22-12-10-20(11-13-22)18(3)26(30)27(31)32/h4-15,17-18H,16H2,1-3H3,(H,31,32)/t18-/m0/s1"	""	""	""
"4780"	"L-carnitine"	""	"Metabolite"	""	""	""	""	"178101482"	"10917"	""	""	"CHEMBL1149"	""	""	""	""	"(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate"	"carnitine"	""	"O[C@@H](C[N+](C)(C)C)CC(=O)[O-]"	"PHIQHXFUZVPYII-ZCFIWIBFSA-N"	"InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1"	""	""	""
"11236"	"LCB1"	""	"Peptide"	""	""	""	""	"434122296"	"154699466"	""	""	""	""	""	""	""	""	""	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CCC(=O)O)C(C)C)CCC(=O)O)CCC(=O)O)CC(C)C)CC(C)C)CCCNC(=N)N)CCC(=O)O)C)CCC(=O)O)CCC(=O)O)CC(C)C)CC(C)C)CCCNC(=N)N)CCC(=O)O)CC(=O)O)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CCCCN)CCC(=O)O)CC(C)C)CCC(=O)N)CCCCN)Cc1ccc(cc1)O)CCC(=O)O)CCSC)CCCNC(=N)N)CC(C)C)CC(C)C)CC(=O)O)CCC(=O)O)CC(C)C)C)CCC(=O)O)C)CO)CCSC)CCCNC(=N)N)CO)CC(=O)O)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)Cc1ccccc1)CCSC"	"NDMHMGNPFJKEIS-HNVXLNGZSA-N"	""	""	""	""
"11237"	"LCB3"	""	"Peptide"	""	""	""	""	"434122297"	"0"	""	""	""	""	""	""	""	""	""	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(C)C)CC(C)C)CCCNC(=N)N)CCC(=O)O)CC(C)C)CC(C)C)CCC(=O)O)CCCCN)CC(C)C)CCC(=O)O)CCC(=O)O)C(C)C)C(C)C)CCCCN)CCC(=O)O)CC(C)C)CCCCN)CCC(=O)N)CCCNC(=N)N)CC(=O)O)CC(=O)N)CC(=O)N)CCCCN)Cc1ccc(cc1)O)C)CCCCN)CC(=O)O)C)CC(C)C)CCC(=O)O)Cc1ccccc1)CC(C)C)CCC(=O)N)Cc1ccccc1)C(C)C)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)N)CC(=O)O)CC(=O)O)CCC(=O)O)CC(C)C)Cc1nc[nH]c1)CCSC)CC(C)C)CCSC)CC(=O)O)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)C)CC(C)C)Cc1nc[nH]c1)Cc1ccccc1)C)CCCCN)CC(=O)O)CCC(=O)O)CCC(=O)O)CCCCN"	"AYKCULXVFGARTK-NUIKKLCPSA-N"	""	""	""	""
"1368"	"L-CCG-I"	""	"Synthetic organic"	""	""	""	""	"135650510"	"5310956"	""	""	"CHEMBL280563"	""	""	""	""	"(1S,2S)-2-[(1S)-1-amino-2-hydroxy-2-oxoethyl]cyclopropane-1-carboxylic acid"	""	"3,4-Cyclopropylglutamate|CCPG|L-2-(Carboxypropyl)glycine"	"N[C@@H]([C@H]1C[C@@H]1C(=O)O)C(=O)O"	"GZOVEPYOCJWRFC-HZLVTQRSSA-N"	"InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1"	""	""	""
"2349"	"L-(cis)-diltiazem"	""	"Synthetic organic"	""	""	""	""	"135650511"	"198107"	""	""	"CHEMBL1397935"	""	""	""	""	"[(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate"	""	""	"COc1ccc(cc1)[C@H]1Sc2ccccc2N(C(=O)[C@H]1OC(=O)C)CCN(C)C"	"HSUGRBWQSSZJOP-LEWJYISDSA-N"	"InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m0/s1"	""	""	""
"722"	"L-citrulline"	""	"Metabolite"	""	""	""	""	"135650512"	"9750"	""	""	"CHEMBL444814"	""	""	""	""	"(2S)-2-amino-5-(carbamoylamino)pentanoic acid"	""	""	"NC(=O)NCCC[C@@H](C(=O)O)N"	"RHGKLRLOHDJJDR-BYPYZUCNSA-N"	"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1"	""	""	""
"6003"	"Lck inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102625"	"6603792"	""	""	"CHEMBL47940"	""	""	""	""	"7-cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine"	""	""	"Nc1ncnc2c1c(cn2C1CCCC1)c1ccc(cc1)Oc1ccccc1"	"FMETVQKSDIOGPX-UHFFFAOYSA-N"	"InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)"	""	""	""
"7912"	"LCL161"	""	"Synthetic organic"	""	""	""	""	"249565595"	"24737642"	""	""	"CHEMBL2431768"	""	""	""	""	"(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylaminopropanamide"	""	"LCL-161|NVP-LCL161"	"CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1scc(n1)C(=O)c1ccc(cc1)F)C1CCCCC1)C"	"UFPFGVNKHCLJJO-SSKFGXFMSA-N"	"InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1"	""	""	""
"9488"	"L-cycloserine"	""	"Synthetic organic"	"yes"	""	""	""	"329968428"	"449215"	""	""	"CHEMBL448864"	""	""	""	""	"(4S)-4-amino-1,2-oxazolidin-3-one"	"cycloserine"	"levcycloserine|Seromycin&reg;"	"N[C@H]1CONC1=O"	"DYDCUQKUCUHJBH-REOHCLBHSA-N"	"InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m0/s1"	""	""	"yes"
"5329"	"L-cysteate"	""	"Metabolite"	""	""	""	""	"178101995"	"23619007"	""	""	""	""	""	""	""	"2-amino-3-sulfopropanoate"	""	"cysteate"	"[O-]C(=O)C(CS(=O)(=O)O)N"	"XVOYSCVBGLVSOL-UHFFFAOYSA-M"	"InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/p-1"	""	""	""
"4782"	"L-cysteine"	""	"Metabolite"	""	""	""	""	"178101484"	"5862"	""	""	"CHEMBL863"	""	""	""	""	"(2R)-2-amino-3-sulfanylpropanoic acid"	"cysteine"	"L-Cys"	"N[C@H](C(=O)O)CS"	"XUJNEKJLAYXESH-REOHCLBHSA-N"	"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1"	""	""	""
"5447"	"L-cysteine sulphinic acid"	""	"Synthetic organic"	""	""	""	""	"178102098"	"1549098"	""	""	"CHEMBL1160508"	""	""	""	""	"(2R)-2-amino-3-sulfinopropanoic acid"	""	"cysteine sulfinic acid|L-CSA|L-cysteine sulfinic acid"	"OS(=O)C[C@@H](C(=O)O)N"	"ADVPTQAUNPRNPO-REOHCLBHSA-N"	"InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1"	""	""	""
"5413"	"L-cystine"	""	"Metabolite"	""	""	""	""	"178102066"	"67678"	""	""	"CHEMBL590540"	""	""	""	""	"(2R)-2-amino-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}propanoic acid"	""	"(-)-cystine|cystine|L-dicysteine"	"N[C@H](C(=O)O)CSSC[C@@H](C(=O)O)N"	"LEVWYRKDKASIDU-IMJSIDKUSA-N"	"InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1"	""	""	""
"8247"	"LDC1267"	""	"Synthetic organic"	""	""	""	""	"249565927"	"56847486"	""	""	""	""	""	""	""	"N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide"	""	""	"CCOc1cn(nc1C(=O)Nc1ccc(c(c1)F)Oc1ccnc2c1cc(OC)c(c2)OC)c1ccc(cc1C)F"	"ISPBCAXOSOLFME-UHFFFAOYSA-N"	"InChI=1S/C30H26F2N4O5/c1-5-40-28-16-36(23-8-6-18(31)12-17(23)2)35-29(28)30(37)34-19-7-9-25(21(32)13-19)41-24-10-11-33-22-15-27(39-4)26(38-3)14-20(22)24/h6-16H,5H2,1-4H3,(H,34,37)"	""	""	""
"13324"	"LDC7559"	""	"Synthetic organic"	""	""	""	""	"496703294"	"138319675"	""	""	"CHEMBL4458274"	""	""	""	""	"N-[2-(2-methoxyphenyl)-4,10-dihydropyrazolo[5,1-c][1,4]benzoxazepin-7-yl]acetamide"	""	"LDC-7559"	"COC1=C(C=CC=C1)C2=NN3C(COC=4C=C(NC(C)=O)C=CC4C3)=C2"	"IFOIINXSFCQLOV-UHFFFAOYSA-N"	"InChI=1S/C20H19N3O3/c1-13(24)21-15-8-7-14-11-23-16(12-26-20(14)9-15)10-18(22-23)17-5-3-4-6-19(17)25-2/h3-10H,11-12H2,1-2H3,(H,21,24)"	""	""	""
"8481"	"LDN-214117"	""	"Synthetic organic"	""	""	""	""	"252166689"	"91754554"	""	""	"CHEMBL3341789"	""	""	""	""	"1-[4-[6-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine"	""	"compound 10 [PMID: 25101911]|LDN214117"	"COc1cc(cc(c1OC)OC)c1cc(cnc1C)c1ccc(cc1)N1CCNCC1"	"BHUXVRVMMYAXKN-UHFFFAOYSA-N"	"InChI=1S/C25H29N3O3/c1-17-22(19-14-23(29-2)25(31-4)24(15-19)30-3)13-20(16-27-17)18-5-7-21(8-6-18)28-11-9-26-10-12-28/h5-8,13-16,26H,9-12H2,1-4H3"	""	""	""
"8661"	"LDN-91946"	""	"Synthetic organic"	""	""	""	""	"252166861"	"950368"	""	""	"CHEMBL1190585"	""	""	""	""	"3-amino-2-(benzoyl)-6-oxo-7H-thieno[3,2-e]pyridine-5-carboxylic acid"	""	"compound 7"	"O=C(c1sc2c(c1N)cc(c(=O)[nH]2)C(=O)O)c1ccccc1"	"OJHMDRZMENMQFP-UHFFFAOYSA-N"	"InChI=1S/C15H10N2O4S/c16-10-8-6-9(15(20)21)13(19)17-14(8)22-12(10)11(18)7-4-2-1-3-5-7/h1-6H,16H2,(H,17,19)(H,20,21)"	""	""	""
"6759"	"LDV-FITC"	""	"Peptide"	""	""	"yes"	""	"178103370"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3433"	"LE135"	""	"Synthetic organic"	""	""	""	""	"178100435"	"10410894"	""	""	"CHEMBL37708"	""	""	""	""	"4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1, 4]benzodiazepin-13-yl)benzoic acid"	""	"LE 135"	"OC(=O)c1ccc(cc1)C1=Nc2cc3c(cc2N(c2c1cccc2)C)C(C)(C)CCC3(C)C"	"YZZAIQOVMHVWBS-UHFFFAOYSA-N"	"InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-23(16-21(22)28)30-26(18-10-12-19(13-11-18)27(32)33)20-8-6-7-9-24(20)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)"	""	""	""
"7684"	"lebrikizumab"	""	"Antibody"	"yes"	""	""	""	"223366019"	"0"	""	""	""	""	""	""	""	""	"lebrikizumab"	"Ebglyss&reg;|lebrikizumab-lbkz|MILR1444A|RG3637|TNX-650"	""	""	""	"yes"	""	""
"12202"	"lecanemab"	""	"Antibody"	"yes"	""	""	""	"472319322"	"0"	""	""	""	""	""	""	""	""	"lecanemab"	"BAN-2401|BAN2401|lecanemab-irmb|Leqembi&reg;"	""	""	""	""	""	""
"13082"	"ledaborbactam"	""	"Synthetic organic"	""	""	""	""	"491299864"	"138455079"	""	""	"CHEMBL5093566"	""	""	""	""	"(3R)-2-hydroxy-3-(propanoylamino)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid"	"ledaborbactam"	"VNRX-5236"	"B1([C@H](CC2=C(O1)C(=CC=C2)C(=O)O)NC(=O)CC)O"	"QAGGLFCWUVSERJ-VIFPVBQESA-N"	"InChI=1S/C12H14BNO5/c1-2-10(15)14-9-6-7-4-3-5-8(12(16)17)11(7)19-13(9)18/h3-5,9,18H,2,6H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1"	""	""	"yes"
"11271"	"ledipasvir"	""	"Synthetic organic"	"yes"	""	""	""	"434321706"	"67505836"	""	""	"CHEMBL2374220"	""	""	""	""	"methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate"	"ledipasvir"	"GS-5885|GS5885|Harvoni&reg; (ledipasvir + sofosbuvir)"	"COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc([nH]1)c1ccc3c(c1)C(F)(F)c1c3ccc(c1)c1ccc3c(c1)[nH]c(n3)[C@@H]1[C@H]3CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C3)CC2)C(C)C"	"VRTWBAAJJOHBQU-KMWAZVGDSA-N"	"InChI=1S/C49H54F2N8O6/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63)/t29-,30+,38-,39-,40-,41-/m0/s1"	""	""	""
"10824"	"lefamulin"	""	"Synthetic organic"	"yes"	""	""	""	"405560265"	"25185057"	""	""	"CHEMBL3291398"	""	""	""	""	""	"lefamulin"	"BC-3781|BC3781|compound 7 [PMID: 24874438]|Xenleta&reg;"	"C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CC[C@H](C[C@H]2O)N)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3"	"KPVIXBKIJXZQJX-FCEONZPQSA-N"	"InChI=1S/C28H45NO5S/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3/t16-,17+,18-,20-,21-,22-,24+,25+,26-,27+,28+/m1/s1"	""	""	"yes"
"14710"	"lefitolimod"	""	"Nucleic acid"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"lefitolimod"	"MGN-1703|MGN1703"	""	""	""	"yes"	""	""
"6825"	"leflunomide"	""	"Synthetic organic"	"yes"	""	""	""	"178103431"	"3899"	""	""	"CHEMBL960"	""	""	""	""	"5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide"	"leflunomide"	"Arabloc&reg;|Arava&reg;|HWA 486|HWA-486|lefunamide|SU-101"	"O=C(c1cnoc1C)Nc1ccc(cc1)C(F)(F)F"	"VHOGYURTWQBHIL-UHFFFAOYSA-N"	"InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)"	"yes"	""	""
"10246"	"LEI105"	""	"Synthetic organic"	""	""	""	""	"381744928"	"122390213"	""	""	""	""	""	""	""	"1-[6-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-phenylhexan-1-one"	""	"LEI-105"	"Cc1ccc(cc1)c1cnc2c(c1)oc(n2)C(=O)CCCCCc1ccccc1"	"XDHONXIOZAUYDB-UHFFFAOYSA-N"	"InChI=1S/C25H24N2O2/c1-18-12-14-20(15-13-18)21-16-23-24(26-17-21)27-25(29-23)22(28)11-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,12-17H,3,6-7,10-11H2,1H3"	""	""	""
"11054"	"LEI-401"	""	"Synthetic organic"	""	""	""	""	"405560495"	"145998143"	""	""	""	""	""	""	""	"N-(cyclopropylmethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide"	""	"LEI401"	"O[C@H]1CCN(C1)c1nc(nc(c1)C(=O)NCC1CC1)N1CCC[C@H](C1)c1ccccc1"	"GFHJYPQZBBHOCC-UXHICEINSA-N"	"InChI=1S/C24H31N5O2/c30-20-10-12-28(16-20)22-13-21(23(31)25-14-17-8-9-17)26-24(27-22)29-11-4-7-19(15-29)18-5-2-1-3-6-18/h1-3,5-6,13,17,19-20,30H,4,7-12,14-16H2,(H,25,31)/t19-,20+/m1/s1"	""	""	""
"13445"	"LEI-515"	""	"Synthetic organic"	""	""	""	""	"500839855"	"156760414"	""	""	""	""	""	""	""	"1-[2-chloro-4-[(2S,3S)-4-(3-chlorophenyl)-2,3-dimethylpiperazine-1-carbonyl]phenyl]sulfinyl-3,3-difluoropentan-2-one"	""	"compound &plusmn;73 [Jiang <i>et al</i>., 2024]|LEI515"	"ClC1=C(C=CC(=C1)C(=O)N2[C@H]([C@@H](N(CC2)C3=CC(=CC=C3)Cl)C)C)S(=O)CC(C(CC)(F)F)=O"	"WYHRZGBTLDYJGW-CFANGXOFSA-N"	"InChI=1S/C24H26Cl2F2N2O3S/c1-4-24(27,28)22(31)14-34(33)21-9-8-17(12-20(21)26)23(32)30-11-10-29(15(2)16(30)3)19-7-5-6-18(25)13-19/h5-9,12-13,15-16H,4,10-11,14H2,1-3H3/t15-,16-,34?/m0/s1"	""	""	""
"13475"	"LEI-800"	""	"Synthetic organic"	""	""	""	""	"500839885"	"171662160"	""	""	""	""	""	""	""	"N-[[(2S,5R)-5-(4-pyridin-3-ylphenyl)pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide"	""	""	"C1C[C@@H](N[C@@H]1CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C4=CC=C(C=C4)C5=CN=CC=C5"	"WDMXDRLBFHUECN-LADGPHEKSA-N"	"InChI=1S/C25H24N4O2S/c30-32(31,25-5-1-3-21-16-27-14-12-23(21)25)28-17-22-10-11-24(29-22)19-8-6-18(7-9-19)20-4-2-13-26-15-20/h1-9,12-16,22,24,28-29H,10-11,17H2/t22-,24+/m0/s1"	""	""	"yes"
"2315"	"Lei-Dab7"	""	"Peptide"	""	""	""	""	"135652258"	"16133841"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CNC=N4)C(=O)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CCN)CCCNC(=N)N)CC(C)C)CC(=O)N)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](C)N)C(=O)N1)CCCCN)CC(C)C)CC(C)C)CC(C)C)CO)CCCNC(=N)N)CO)CC(C)C)CCC(=O)N)CCCCN)CC(=O)O"	"WEAKAAPTOACABK-HOSVXTCQSA-N"	"InChI=1S/C141H236N46O39S6/c1-16-74(14)111-138(225)159-58-107(194)163-94(54-109(197)198)129(216)164-79(31-21-24-41-143)120(207)180-97-61-227-228-62-98-133(220)167-83(35-37-103(147)190)121(208)175-91(50-72(10)11)126(213)179-96(60-189)131(218)185-99(63-229-231-65-101(183-122(209)84(168-134(97)221)36-38-108(195)196)136(223)186-110(73(12)13)139(226)170-80(32-22-25-42-144)118(205)171-86(112(149)199)52-77-55-154-67-160-77)132(219)166-82(34-27-45-156-141(152)153)119(206)178-95(59-188)130(217)174-88(47-69(4)5)115(202)158-57-106(193)162-89(48-70(6)7)124(211)173-87(46-68(2)3)114(201)157-56-105(192)161-78(30-20-23-40-142)116(203)182-102(137(224)187-111)66-232-230-64-100(184-127(214)92(172-113(200)75(15)146)51-76-28-18-17-19-29-76)135(222)177-93(53-104(148)191)128(215)176-90(49-71(8)9)125(212)165-81(33-26-44-155-140(150)151)117(204)169-85(39-43-145)123(210)181-98/h17-19,28-29,55,67-75,78-102,110-111,188-189H,16,20-27,30-54,56-66,142-146H2,1-15H3,(H2,147,190)(H2,148,191)(H2,149,199)(H,154,160)(H,157,201)(H,158,202)(H,159,225)(H,161,192)(H,162,193)(H,163,194)(H,164,216)(H,165,212)(H,166,219)(H,167,220)(H,168,221)(H,169,204)(H,170,226)(H,171,205)(H,172,200)(H,173,211)(H,174,217)(H,175,208)(H,176,215)(H,177,222)(H,178,206)(H,179,213)(H,180,207)(H,181,210)(H,182,203)(H,183,209)(H,184,214)(H,185,218)(H,186,223)(H,187,224)(H,195,196)(H,197,198)(H4,150,151,155)(H4,152,153,156)/t74-,75-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,110-,111-/m0/s1"	""	""	""
"11041"	"leinamycin"	""	"Natural product"	""	""	""	""	"405560482"	"9849230"	""	""	"CHEMBL360089"	""	""	""	""	"(2R,4'R,6R,9E,11R,13E,15Z)-4',11-dihydroxy-2,4',9-trimethyl-1'-oxospiro[19-thia-3,20-diazabicyclo[15.2.1]icosa-1(20),9,13,15,17-pentaene-6,5'-dithiolane]-3',4,12-trione"	""	"DC-107|DC107"	"C/C/1=C\[C@@H](O)C(=O)/C=C/C=C\c2nc([C@H](NC(=O)C[C@@]3(CC1)S(=O)SC(=O)[C@]3(C)O)C)sc2"	"ZHTRILQJTPJGNK-FYBAATNNSA-N"	"InChI=1S/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4-,7-5+,13-10+/t14-,17-,21+,22-,33?/m1/s1"	""	""	"yes"
"2316"	"leiurotoxin I"	""	"Peptide"	""	""	""	""	"135652259"	"0"	"P16341"	""	""	""	""	""	""	""	""	"Leiurotoxin-1 (LeTx1)|potassium channel toxin &alpha;-KTx 5.1|scyllatoxin (ScyTx)"	""	""	""	""	""	""
"9302"	"lemborexant"	""	"Synthetic organic"	"yes"	""	""	""	"318164821"	"56944144"	""	""	"CHEMBL3545367"	""	""	""	""	"(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)-N-(5-fluoropyridin-2-yl)cyclopropane-1-carboxamide"	"lemborexant"	"compound 34 [PMID: 25953512]|Dayvigo&reg;|E-2006|E2006"	"O=C([C@@H]1C[C@@]1(COc1cnc(nc1C)C)c1cccc(c1)F)Nc1ccc(cn1)F"	"MUGXRYIUWFITCP-PGRDOPGGSA-N"	"InChI=1S/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-4-3-5-16(23)8-15)9-18(22)21(29)28-20-7-6-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/m0/s1"	""	""	""
"12300"	"lemuplamor"	""	"Natural product"	""	""	""	""	"479821091"	"170356829"	""	""	""	""	""	""	""	"(2S)-2,5-bis[(2R,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]pentanoic acid"	"lemuplamor"	"<i>Stachybotrys microspora</i> triprenyl phenol 7|BIIB131|SMTP-7|SMTP7|TMS-007"	"C/C(=C\CC[C@@]1([C@H](CC=2C(=C3CN(C(C3=CC2O)=O)[C@H](C(=O)O)CCCN4C(C5=CC(=C6C(=C5C4)O[C@@]([C@H](C6)O)(CC/C=C(/CCC=C(C)C)\C)C)O)=O)O1)O)C)/CCC=C(C)C"	"CRNDCHORWGDFGR-RUESYUOVSA-N"	"InChI=1S/C51H68N2O10/c1-30(2)14-9-16-32(5)18-11-21-50(7)43(56)26-36-41(54)24-34-38(45(36)62-50)28-52(47(34)58)23-13-20-40(49(60)61)53-29-39-35(48(53)59)25-42(55)37-27-44(57)51(8,63-46(37)39)22-12-19-33(6)17-10-15-31(3)4/h14-15,18-19,24-25,40,43-44,54-57H,9-13,16-17,20-23,26-29H2,1-8H3,(H,60,61)/b32-18+,33-19+/t40-,43-,44-,50+,51+/m0/s1"	""	""	""
"9772"	"lenabasum"	""	"Synthetic organic"	""	""	""	""	"354702245"	"3083542"	""	""	"CHEMBL456341"	""	""	""	""	"(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid"	"lenabasum"	"ajulemic acid|CPL-7075|CPL7075|CT-3|IP-751|IP751"	"CCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)C(=O)O)(C)C)(C)C"	"YCHYFHOSGQABSW-RTBURBONSA-N"	"InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1"	"yes"	""	""
"11446"	"lenacapavir"	""	"Synthetic organic"	"yes"	""	""	""	"440816815"	"133082658"	""	""	""	""	""	""	""	""	"lenacapavir"	"GS-6207|GS6207|Sunlenca&reg;|Yeztugo&reg; (twice-yearly injection)"	"O=C(Cn1nc(c2c1C(F)(F)[C@H]1[C@@H]2C1)C(F)(F)F)N[C@H](c1nc(C#CC(S(=O)(=O)C)(C)C)ccc1c1ccc(c2c1n(nc2NS(=O)(=O)C)CC(F)(F)F)Cl)Cc1cc(F)cc(c1)F"	"BRYXUCLEHAUSDY-WEWMWRJBSA-N"	"InChI=1S/C39H32ClF10N7O5S2/c1-36(2,63(3,59)60)10-9-21-5-6-22(23-7-8-26(40)30-32(23)57(17-37(43,44)45)54-35(30)55-64(4,61)62)31(51-21)27(13-18-11-19(41)14-20(42)12-18)52-28(58)16-56-34-29(33(53-56)39(48,49)50)24-15-25(24)38(34,46)47/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,27-/m0/s1"	""	""	""
"7331"	"lenalidomide"	""	"Synthetic organic"	"yes"	""	""	""	"178103903"	"216326"	""	""	"CHEMBL848"	""	""	""	""	"4-amino-2-(6-hydroxy-2-oxo-2,3,4,5-tetrahydropyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one"	"lenalidomide"	"CC-5013|CDC-501|Revlimid&reg;"	"OC1=NC(=O)C(CC1)N1Cc2c(C1=O)cccc2N"	"GOTYRUGSSMKFNF-UHFFFAOYSA-N"	"InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)"	"yes"	""	""
"10825"	"lenapenem"	""	"Synthetic organic"	""	""	""	""	"405560266"	"216262"	""	""	"CHEMBL3989459"	""	""	""	""	"(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(3S,5S)-5-[(1R)-1-hydroxy-3-(methylamino)propyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	"lenapenem"	"BO-2727|BO2727|L-739,428|L-739428"	"CNCC[C@H]([C@H]1NC[C@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)O"	"PZLOCBSBEUDCPF-YJIVIRPOSA-N"	"InChI=1S/C18H29N3O5S/c1-8-14-13(9(2)22)17(24)21(14)15(18(25)26)16(8)27-10-6-11(20-7-10)12(23)4-5-19-3/h8-14,19-20,22-23H,4-7H2,1-3H3,(H,25,26)/t8-,9-,10+,11+,12-,13-,14-/m1/s1"	""	""	"yes"
"9424"	"leniolisib"	""	"Synthetic organic"	"yes"	""	""	""	"328083524"	"57495353"	""	""	"CHEMBL3643413"	""	""	""	""	"1-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one"	"leniolisib"	"CDZ-173|CDZ173|Example 67 [WO2012004299]|Joenja&reg;"	"CCC(=O)N1CC[C@@H](C1)Nc1ncnc2c1CN(CC2)c1cnc(c(c1)C(F)(F)F)OC"	"MWKYMZXCGYXLPL-ZDUSSCGKSA-N"	"InChI=1S/C21H25F3N6O2/c1-3-18(31)30-6-4-13(10-30)28-19-15-11-29(7-5-17(15)26-12-27-19)14-8-16(21(22,23)24)20(32-2)25-9-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28)/t13-/m0/s1"	"yes"	""	""
"12003"	"lenrispodun"	""	"Synthetic organic"	""	""	""	""	"464244144"	"42639643"	""	""	"CHEMBL3769414"	""	""	""	""	""	"lenrispodun"	"compound 3 [PMID: 26789933]|ITI-214|ITI214"	"Cn1c(=O)c2c(n(nc2n2c1=N[C@H]1[C@@H]2CCC1)Cc1ccc(cc1)c1nc(ccc1)F)Nc1ccccc1"	"BBIPVJCGIASXJB-PKTZIBPZSA-N"	"InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1"	""	""	""
"7426"	"lenvatinib"	""	"Synthetic organic"	"yes"	""	""	""	"178103998"	"9823820"	""	""	"CHEMBL1289601"	""	""	""	""	"4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide"	"lenvatinib"	"E 7080|ER-203492-00|Kisplyx&reg;|Lenvima&reg;"	"COc1cc2nccc(c2cc1C(=O)N)Oc1ccc(c(c1)Cl)NC(=O)NC1CC1"	"WOSKHXYHFSIKNG-UHFFFAOYSA-N"	"InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)"	""	""	""
"8935"	"lenzilumab"	""	"Antibody"	""	""	""	""	"310264716"	"0"	""	""	""	""	""	""	""	""	"lenzilumab"	"KB-003|KB003"	""	""	""	"yes"	""	""
"11901"	"LEO 134310"	""	"Synthetic organic"	""	""	""	""	"461663456"	"126714060"	""	""	""	""	""	""	""	"[(3S)-1-[(3R)-5-oxooxolane-3-carbonyl]piperidin-3-yl] 4-[(1R,2S)-1-(4-cyclopropylphenyl)-2-[[(2R)-oxolane-2-carbonyl]amino]propoxy]benzoate"	""	"LEO-134310|LEO134310"	"C[C@H](NC(=O)[C@H]1CCCO1)[C@H](Oc1ccc(cc1)C(=O)O[C@H]1CCCN(C1)C(=O)[C@H]1COC(=O)C1)c1ccc(cc1)C1CC1"	"NADMBBGHEQYUMJ-WDXNIXBWSA-N"	"InChI=1S/C34H40N2O8/c1-21(35-32(38)29-5-3-17-41-29)31(24-10-8-23(9-11-24)22-6-7-22)43-27-14-12-25(13-15-27)34(40)44-28-4-2-16-36(19-28)33(39)26-18-30(37)42-20-26/h8-15,21-22,26,28-29,31H,2-7,16-20H2,1H3,(H,35,38)/t21-,26+,28-,29+,31-/m0/s1"	"yes"	""	""
"12725"	"LEO 239652"	""	"Synthetic organic"	""	""	""	""	"483123273"	"71611998"	""	""	"CHEMBL4747201"	""	""	""	""	"2-methylpropyl 1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate"	""	"compound 40 [PMID: 33054196]|LEO-239652|LEO239652"	"O=C1OCC2=C1C=CC(=C2)C=3N4C(=NC(C5(CC5)C(OCC(C)C)=O)=N4)C(=CC3)OC"	"LUUUHUYQTLUIDG-UHFFFAOYSA-N"	"InChI=1S/C23H23N3O5/c1-13(2)11-31-22(28)23(8-9-23)21-24-19-18(29-3)7-6-17(26(19)25-21)14-4-5-16-15(10-14)12-30-20(16)27/h4-7,10,13H,8-9,11-12H2,1-3H3"	"yes"	""	""
"12724"	"LEO 29102"	""	"Synthetic organic"	""	""	""	""	"483123272"	"66829720"	""	""	"CHEMBL3315088"	""	""	""	""	"2-[6-[2-(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy]-N-propylacetamide"	""	"compound 20 [PMID: 24984230]|LEO-29102|LEO29102"	"O=C(C1=C(OCC(NCCC)=O)C(OC)=C(C=C1)OC)CC2=C(Cl)C=NC=C2Cl"	"HOKIHKLKOZWCRY-UHFFFAOYSA-N"	"InChI=1S/C20H22Cl2N2O5/c1-4-7-24-18(26)11-29-19-12(5-6-17(27-2)20(19)28-3)16(25)8-13-14(21)9-23-10-15(13)22/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,24,26)"	"yes"	""	""
"6469"	"lepirudin"	""	"Peptide"	"yes"	""	""	""	"178103083"	"118856773"	""	""	""	""	""	""	""	""	"lepirudin"	"1-L-leucine-2-L-threonine-63-desulfohirudin|Refludan&reg;"	"NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CCC(=O)O)[C@H](CC)C)CCC(=O)O)CCC(=O)O)Cc1ccccc1)CC(=O)O)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CO)CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)CCC(=O)N)CC(=O)N)CCCCN)C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)N)CC(=O)N)CCCCN)CCC(=O)O)CC(=O)O)CO)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CC(C)C)N)Cc2ccc(cc2)O)CC(=O)O)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC(=O)N)CCC(=O)N)CO)CC(C)C)C(C)C)CCC(=O)O"	"FIBJDTSHOUXTKV-BRHMIFOHSA-N"	""	""	""	""
"13708"	"lepodisiran"	""	"Nucleic acid"	""	""	""	""	"507750342"	"0"	""	""	""	""	""	""	""	""	"lepodisiran"	"LY-3819469|LY3819469"	""	""	""	""	""	""
"5015"	"leptin"	"Human"	"Peptide"	""	""	""	""	"178101712"	"0"	"P41159"	"ENSG00000174697"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14274"	"leptomycin B"	""	"Natural product"	""	""	""	""	"521588914"	"6917907"	""	""	"CHEMBL486133"	""	""	""	""	"(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid"	""	"Antibiotic CL 1957A|CI-940|Elactocin"	"CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@H]1[C@H](C=CC(=O)O1)C"	"YACHGFWEQXFSBS-XYERBDPFSA-N"	"InChI=1S/C33H48O6/c1-9-28(14-15-29-24(5)13-16-31(36)39-29)19-22(3)12-10-11-21(2)17-25(6)32(37)27(8)33(38)26(7)18-23(4)20-30(34)35/h10-11,13-17,19-20,22,24-27,29,33,38H,9,12,18H2,1-8H3,(H,34,35)/b11-10+,15-14+,21-17+,23-20+,28-19-/t22-,24+,25-,26+,27-,29+,33-/m1/s1"	""	""	""
"11773"	"lepunafusp alfa"	""	"Antibody"	""	""	""	""	"458923808"	"0"	""	""	""	""	""	""	""	""	"lepunafusp alfa"	"JR-171|JR171"	""	""	""	""	""	""
"12871"	"lepzacitinib"	""	"Synthetic organic"	""	""	""	""	"485205992"	"138624627"	""	""	""	""	""	""	""	"ethyl 4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate"	""	"example 117 [WO2019090158A1]"	"C(#N)CC(=O)N1C[C@@H](CCC1)NC2=C3C(=NC=C2C(=O)OCC)NC=C3"	"QQOPOYMFJLUSBI-GFCCVEGCSA-N"	"InChI=1S/C18H21N5O3/c1-2-26-18(25)14-10-21-17-13(6-8-20-17)16(14)22-12-4-3-9-23(11-12)15(24)5-7-19/h6,8,10,12H,2-5,9,11H2,1H3,(H2,20,21,22)/t12-/m1/s1"	"yes"	""	""
"270"	"lergotrile"	""	"Synthetic organic"	""	""	""	""	"135650513"	"6918447"	""	""	"CHEMBL80937"	""	""	""	""	"2-[(6aR,9S,10aR)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]acetonitrile"	"lergotrile"	"LY 79907"	"N#CC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c([nH]3)Cl"	"JKAHWGPTNVUTNB-IXPVHAAZSA-N"	"InChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3/t10-,12-,15-/m1/s1"	""	""	""
"13480"	"leritrelvir"	""	"Synthetic organic"	""	""	""	""	"500839890"	"167713195"	""	""	""	""	""	""	""	"(3S,3aS,6aR)-2-[(2S)-2-cyclohexyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-N-[(2S)-4-(cyclopentylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide"	""	"RAY-1216|RAY1216"	"C1CCC(CC1)[C@@H](C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)C(=O)C(=O)NC5CCCC5)NC(=O)C(F)(F)F"	"ICGMMLTUQDVAST-HEZDJTGRSA-N"	"InChI=1S/C31H44F3N5O6/c32-31(33,34)30(45)38-23(17-7-2-1-3-8-17)29(44)39-16-19-9-6-12-21(19)24(39)27(42)37-22(15-18-13-14-35-26(18)41)25(40)28(43)36-20-10-4-5-11-20/h17-24H,1-16H2,(H,35,41)(H,36,43)(H,37,42)(H,38,45)/t18-,19-,21-,22-,23-,24-/m0/s1"	""	""	""
"10313"	"lerociclib"	""	"Synthetic organic"	"yes"	""	""	""	"381744994"	"86269224"	""	""	"CHEMBL3904602"	""	""	""	""	"4-[[5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one"	"lerociclib"	"example GG [US9464092B2]|G1T-38|G1T38|Ru Jianing&reg; (China)"	"CC(N1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n1c(c2)C(=O)NCC21CCCCC2)C"	"YPJRHEKCFKOVRT-UHFFFAOYSA-N"	"InChI=1S/C26H34N8O/c1-18(2)32-10-12-33(13-11-32)20-6-7-22(27-16-20)30-25-28-15-19-14-21-24(35)29-17-26(8-4-3-5-9-26)34(21)23(19)31-25/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,29,35)(H,27,28,30,31)"	""	""	""
"14319"	"lerodalcibep"	""	"Peptide"	"yes"	""	""	""	"523352111"	"0"	""	""	""	""	""	""	""	""	"lerodalcibep"	"LIB-003|LIB003|sequence 3 [US10738102B2]"	""	""	""	""	""	""
"10752"	"leronlimab"	""	"Antibody"	""	""	""	""	"405560193"	"0"	""	""	""	""	""	""	""	""	"leronlimab"	"PRO 140|PRO-140|PRO140|Vyrologix&reg;"	""	""	""	"yes"	""	""
"12885"	"lerzeparib"	""	"Synthetic organic"	""	""	""	""	"485206006"	"155033943"	""	""	""	""	""	""	""	""	""	"compound 25-B [US20220144850A1]"	"FC=1C=C2C=3C(=C(NC3C1)C4=CC=C(C=C4)[C@@]5(NCCC5)C)CONC2=O"	"FBKICCXLQKLXAZ-OAQYLSRUSA-N"	"InChI=1S/C21H20FN3O2/c1-21(7-2-8-23-21)13-5-3-12(4-6-13)19-16-11-27-25-20(26)15-9-14(22)10-17(24-19)18(15)16/h3-6,9-10,23-24H,2,7-8,11H2,1H3,(H,25,26)/t21-/m1/s1"	""	""	""
"7673"	"lesinurad"	""	"Synthetic organic"	"yes"	""	""	""	"223366008"	"53465279"	""	""	"CHEMBL2105720"	""	""	""	""	"2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid"	"lesinurad"	"RDEA-594|RDEA594|Zurampic&reg;"	"OC(=O)CSc1nnc(n1c1ccc(c2c1cccc2)C1CC1)Br"	"FGQFOYHRJSUHMR-UHFFFAOYSA-N"	"InChI=1S/C17H14BrN3O2S/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H,22,23)"	""	""	""
"7705"	"lesogaberan"	""	"Synthetic organic"	""	""	""	""	"223366038"	"16686147"	""	""	"CHEMBL448343"	""	""	""	""	"[(2R)-3-amino-2-fluoropropyl]phosphinic acid"	"lesogaberan"	"AZD-3355|AZD3355"	"NC[C@H](CP(=O)O)F"	"LJNUIEQATDYXJH-GSVOUGTGSA-N"	"InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1"	""	""	""
"5672"	"lestaurtinib"	""	"Synthetic organic"	""	""	""	""	"178102300"	"126565"	""	""	"CHEMBL603469"	""	""	""	""	"(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8,10,12,20,22,24-nonaen-3-one"	"lestaurtinib"	"CEP-701|KT-5555|SP924"	"OC[C@@]1(O)C[C@H]2O[C@]1(C)n1c3c4n2c2ccccc2c4c2c(c3c3c1cccc3)CNC2=O"	"UIARLYUEJFELEN-LROUJFHJSA-N"	"InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1"	"yes"	""	""
"5209"	"letrozole"	""	"Synthetic organic"	"yes"	""	""	""	"178101895"	"3902"	""	""	"CHEMBL1444"	""	""	""	""	"4-[(4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile"	"letrozole"	"Femara&reg;"	"N#Cc1ccc(cc1)C(n1cncn1)c1ccc(cc1)C#N"	"HPJKCIUCZWXJDR-UHFFFAOYSA-N"	"InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H"	""	""	""
"8167"	"leucettine L41"	""	"Synthetic organic"	""	""	""	""	"249565847"	"135398522"	""	""	"CHEMBL1802358"	""	""	""	""	"(5Z)-2-anilino-5-(1,3-benzodioxol-5-ylmethylidene)-1H-imidazol-4-one"	""	""	"O=C1NC(=N/C/1=C\c1ccc2c(c1)OCO2)Nc1ccccc1"	"PGPHHJBZEGSUNE-JYRVWZFOSA-N"	"InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)/b13-8-"	""	""	""
"9274"	"leucomethylthioninium"	""	"Synthetic organic"	"yes"	""	""	""	"318164793"	"122173994"	""	""	""	""	""	""	""	"N3,N3,N7,N7-tetramethyl-10H-phenothiazine-3,7-bis(aminium)"	""	"leuco-methylthioninium|LMTM|LMTX|TRx-0237|TRx0237"	"C[NH+](c1ccc2c(c1)Sc1c(N2)ccc(c1)[NH+](C)C)C"	"QTWZICCBKBYHDM-UHFFFAOYSA-P"	"InChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3/p+2"	""	""	""
"1613"	"[Leu]enkephalin"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651802"	"3903"	"P04094|P22005|P01210"	"ENSRNOG00000008943|ENSMUSG00000045573|ENSG00000181195"	"CHEMBL15038"	""	""	""	""	"2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid"	""	"[Leu]-enkephalin|leucine enkephalin"	"O=C(CNC(=O)C(Cc1ccc(cc1)O)N)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1"	"URLZCHNOLZSCCA-UHFFFAOYSA-N"	"InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)"	""	""	""
"1175"	"leuprolide"	""	"Peptide"	"yes"	""	""	""	"135652260"	"657181"	""	""	"CHEMBL1201199"	""	""	""	""	""	"leuprorelin"	"ABBOTT-43818|Camcevi&reg;|Fensolvi&reg; (leuprolide acetate injectable suspension)|Lupron&reg;|TAP-144"	"CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)CO)CC(C)C)CC(C)C)CCCN=C(N)N"	"GFIJNRVAKGFPGQ-LIJARHBVSA-N"	"InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)/t40-,41-,42-,43+,44-,45-,46-,47-,48-/m0/s1"	""	""	""
"1453"	"[Leu<sup>13</sup>]motilin (human)"	""	"Peptide"	""	""	""	""	"135652261"	"16198245"	""	""	""	""	""	""	""	""	""	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCC(=O)N)CCCCN)CC(=O)N)CCCNC(=N)N)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccccc1)N)Cc1ccccc1)Cc1ccc(cc1)O)CCC(=O)O)CC(C)C)CCC(=O)N)CCCNC(=N)N)CC(C)C)CCC(=O)N)CCC(=O)O"	"GFOZQXMKARUPQI-HYOAWBISSA-N"	"InChI=1S/C121H190N34O35/c1-10-65(8)98(153-115(185)87-32-23-53-155(87)118(188)97(64(6)7)152-100(170)71(124)56-67-24-13-11-14-25-67)116(186)151-85(57-68-26-15-12-16-27-68)114(184)154-99(66(9)156)117(187)150-84(58-69-33-35-70(157)36-34-69)102(172)136-60-92(162)137-76(40-46-94(164)165)106(176)148-83(55-63(4)5)112(182)145-77(37-43-88(125)158)107(177)141-74(30-21-51-133-120(129)130)104(174)147-82(54-62(2)3)111(181)146-78(38-44-89(126)159)108(178)144-80(42-48-96(168)169)109(179)140-73(29-18-20-50-123)103(173)143-79(41-47-95(166)167)110(180)142-75(31-22-52-134-121(131)132)105(175)149-86(59-91(128)161)113(183)139-72(28-17-19-49-122)101(171)135-61-93(163)138-81(119(189)190)39-45-90(127)160/h11-16,24-27,33-36,62-66,71-87,97-99,156-157H,10,17-23,28-32,37-61,122-124H2,1-9H3,(H2,125,158)(H2,126,159)(H2,127,160)(H2,128,161)(H,135,171)(H,136,172)(H,137,162)(H,138,163)(H,139,183)(H,140,179)(H,141,177)(H,142,180)(H,143,173)(H,144,178)(H,145,182)(H,146,181)(H,147,174)(H,148,176)(H,149,175)(H,150,187)(H,151,186)(H,152,170)(H,153,185)(H,154,184)(H,164,165)(H,166,167)(H,168,169)(H,189,190)(H4,129,130,133)(H4,131,132,134)/t65-,66+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,97-,98-,99-/m0/s1"	""	""	""
"11259"	"[Leu<sup>14</sup>]bombesin"	""	"Peptide"	""	""	""	""	"434321694"	"16168801"	""	""	""	""	""	""	""	""	""	""	"CC(C[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CC(C)C)Cc1nc[nH]c1)C(C)C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)N)CCCNC(=N)N)C"	"SVVDBCGUBZWHSS-FPFNSDSHSA-N"	"InChI=1S/C72H112N24O18/c1-34(2)23-47(60(76)103)92-68(111)49(25-36(5)6)94-69(112)51(27-40-30-79-33-84-40)87-58(102)32-83-71(114)59(37(7)8)96-61(104)38(9)85-67(110)50(26-39-29-81-42-14-11-10-13-41(39)42)95-66(109)46(17-20-54(74)98)91-70(113)52(28-55(75)99)88-57(101)31-82-62(105)48(24-35(3)4)93-63(106)43(15-12-22-80-72(77)78)89-65(108)45(16-19-53(73)97)90-64(107)44-18-21-56(100)86-44/h10-11,13-14,29-30,33-38,43-52,59,81H,12,15-28,31-32H2,1-9H3,(H2,73,97)(H2,74,98)(H2,75,99)(H2,76,103)(H,79,84)(H,82,105)(H,83,114)(H,85,110)(H,86,100)(H,87,102)(H,88,101)(H,89,108)(H,90,107)(H,91,113)(H,92,111)(H,93,106)(H,94,112)(H,95,109)(H,96,104)(H4,77,78,80)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,59-/m0/s1"	""	""	""
"629"	"[Leu<sup>14</sup>, &psi; 13-14)]bombesin"	""	"Peptide"	""	""	""	""	"135652262"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1545"	"[Leu<sup>31</sup>,Pro<sup>34</sup>]NPY"	""	"Peptide"	""	""	""	""	"135652263"	"0"	""	""	""	""	""	""	""	""	""	"[Leu<sup>31</sup>,Pro<sup>34</sup>] neuropeptide Y|[Leu<sup>31</sup>,Pro<sup>34</sup>]-NPY"	""	""	""	""	""	""
"1524"	"[Leu<sup>31</sup>,Pro<sup>34</sup>]NPY (pig)"	""	"Peptide"	""	""	""	""	"135652264"	"0"	""	""	""	""	""	""	""	""	""	"porcine [Leu<sup>31</sup>,Pro<sup>24</sup>] neuropeptide Y|porcine [Leu<sup>31</sup>,Pro<sup>34</sup>] neuropeptide Y"	""	""	""	""	""	""
"1527"	"[Leu<sup>31</sup>,Pro<sup>34</sup>]PYY (human)"	""	"Peptide"	""	""	""	""	"135652266"	"0"	""	""	""	""	""	""	""	""	""	"human [Leu<sup>31</sup>,Pro<sup>34</sup>] peptide tyrosine tyrosine|human [Leu<sup>31</sup>,Pro<sup>34</sup>] peptide YY"	""	""	""	""	""	""
"1526"	"[Leu<sup>31</sup>,Pro<sup>34</sup>]PYY (pig)"	""	"Peptide"	""	""	""	""	"135652265"	"0"	""	""	""	""	""	""	""	""	""	"[Leu<sup>31</sup>,Pro<sup>34</sup>] peptide tyrosine tyrosine|[Leu<sup>31</sup>,Pro<sup>34</sup>] peptide YY"	""	""	""	""	""	""
"641"	"[Leu<sup>8</sup>,des-Arg<sup>9</sup>]bradykinin"	""	"Peptide"	""	""	""	""	"135652267"	"123884"	""	""	"CHEMBL80472"	""	""	""	""	"(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid"	""	""	"OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)N"	"BGAPYBBQGHUQNM-YYGRSCHNSA-N"	"InChI=1S/C41H63N11O10/c1-24(2)20-28(40(61)62)48-36(57)31-14-8-17-50(31)38(59)29(23-53)49-34(55)27(21-25-10-4-3-5-11-25)47-33(54)22-46-35(56)30-13-7-18-51(30)39(60)32-15-9-19-52(32)37(58)26(42)12-6-16-45-41(43)44/h3-5,10-11,24,26-32,53H,6-9,12-23,42H2,1-2H3,(H,46,56)(H,47,54)(H,48,57)(H,49,55)(H,61,62)(H4,43,44,45)/t26-,27-,28-,29-,30-,31-,32-/m0/s1"	""	""	""
"6168"	"[Leu<sup>8</sup>]-phyllolitorin"	""	"Peptide"	""	""	""	""	"178102789"	"155817490"	"P08948"	""	""	""	""	""	""	""	""	""	"CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)O"	"SJZDDUZIBZZQHY-DLDZJLLMSA-N"	"InChI=1S/C46H73N11O12S/c1-23(2)17-32(54-40(62)29(47)13-14-36(48)59)43(65)56-34(19-27-20-49-30-12-10-9-11-28(27)30)41(63)51-26(7)39(61)57-38(25(5)6)45(67)50-21-37(60)52-35(22-58)44(66)55-33(18-24(3)4)42(64)53-31(46(68)69)15-16-70-8/h9-12,20,23-26,29,31-35,38,49,58H,13-19,21-22,47H2,1-8H3,(H2,48,59)(H,50,67)(H,51,63)(H,52,60)(H,53,64)(H,54,62)(H,55,66)(H,56,65)(H,57,61)(H,68,69)/t26-,29-,31-,32-,33-,34-,35-,38-/m0/s1"	""	""	""
"642"	"[Leu<sup>9</sup>,des-Arg<sup>10</sup>]kallidin"	""	"Peptide"	""	""	""	""	"135652268"	"0"	""	""	""	""	""	""	""	""	""	"[Lys,Leu<sup>8</sup>,des-Arg<sup>9</sup>]bradykinin|Lys-[Leu<sup>8</sup>][des-Arg<sup>9</sup>]BK|Lys-[Leu<sup>8</sup>][des-Arg<sup>9</sup>]bradykinin"	""	""	""	""	""	""
"7209"	"levallorphan"	""	"Synthetic organic"	"yes"	""	""	""	"178103784"	"5359371"	""	""	"CHEMBL1254682"	""	""	""	""	""	"levallorphan"	"Lorfan&reg;"	"C=CCN1CC[C@@]23[C@H]([C@H]1Cc1c3cc(cc1)O)CCCC2"	"OZYUPQUCAUTOBP-QXAKKESOSA-N"	"InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1"	""	""	""
"7210"	"levamisole"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103785"	"26879"	""	""	"CHEMBL1454"	""	""	""	""	"(6S)-6-phenyl-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazole"	"levamisole"	"Ergamisol&reg;|R-12564"	"C1CN2C(=N[C@H](C2)c2ccccc2)S1"	"HLFSDGLLUJUHTE-SNVBAGLBSA-N"	"InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1"	""	""	""
"358"	"levetimide"	""	"Synthetic organic"	""	""	""	""	"135650514"	"30844"	""	""	""	""	""	""	""	"(3R)-3-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]piperidine-2,6-dione"	"benzetimide"	"(-)-benzetimide|l-benzetimide"	"O=C1CC[C@@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1"	"LQQIVYSCPWCSSD-QHCPKHFHSA-N"	"InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m0/s1"	""	""	""
"6826"	"levetiracetam"	""	"Synthetic organic"	"yes"	""	""	""	"178103432"	"5284583"	""	""	"CHEMBL1286"	""	""	""	""	"(2S)-2-(2-oxopyrrolidin-1-yl)butanamide"	"etiracetam|levetiracetam"	"Keppra&reg;|Spritam&reg;|UCB L059|UCB-L 059"	"CC[C@H](N1CCCC1=O)C(=O)N"	"HPHUVLMMVZITSG-LURJTMIESA-N"	"InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1"	""	""	""
"8035"	"levobetaxolol"	""	"Synthetic organic"	"yes"	"yes"	""	""	"249565715"	"60657"	""	""	"CHEMBL1201274"	""	""	""	""	"(2S)-1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol"	"levobetaxolol"	"(-)-betaxolol|(S)-betaxolol|AL-1577A|Betaxon&reg;"	"O[C@H](COc1ccc(cc1)CCOCC1CC1)CNC(C)C"	"NWIUTZDMDHAVTP-KRWDZBQOSA-N"	"InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1"	""	""	""
"7211"	"levobupivacaine"	""	"Synthetic organic"	"yes"	""	""	""	"178103786"	"92253"	""	""	"CHEMBL1201193"	""	""	""	""	"(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboximidic acid"	"levobupivacaine"	"Chirocaine&reg;|levobupivacaine hydrochloride"	"CCCCN1CCCC[C@H]1C(=Nc1c(C)cccc1C)O"	"LEBVLXFERQHONN-INIZCTEOSA-N"	"InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1"	""	""	""
"1586"	"levocabastine"	""	"Synthetic organic"	"yes"	""	""	""	"135650515"	"54385"	""	""	"CHEMBL1615438"	""	""	""	""	""	"levocabastine"	"levocobastine|Livostin&reg;"	"N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F"	"ZCGOMHNNNFPNMX-KYTRFIICSA-N"	"InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/t19-,23-,25-,26-/m1/s1"	""	""	""
"3639"	"levodopa"	""	"Metabolite"	"yes"	""	""	""	"178100545"	"6047"	""	""	"CHEMBL1009"	""	""	""	""	"(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid"	"levodopa"	"3,4-dihydroxy-L-phenylalanine|Inbrija&reg; (levodopa inhalation powder)|L-DOPA|Sinemet&reg;"	"OC(=O)[C@H](Cc1ccc(c(c1)O)O)N"	"WTDRDQBEARUVNC-LURJTMIESA-N"	"InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1"	""	""	""
"10911"	"levofloxacin"	""	"Synthetic organic"	"yes"	""	""	""	"405560352"	"149096"	""	""	"CHEMBL33"	""	""	""	""	""	"levofloxacin"	"DR-3355|Levaquin&reg;|Quinsair&reg;"	"CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C"	"GSDSWSVVBLHKDQ-JTQLQIEISA-N"	"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1"	""	""	"yes"
"11829"	"levoketoconazole"	""	"Synthetic organic"	"yes"	""	""	""	"461663385"	"47576"	""	""	"CHEMBL295698"	""	""	""	""	"1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone"	"levoketoconazole"	"(2S,4R)-ketoconazole|COR-003|COR003|Recorlev&reg;"	"CC(=O)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1CO[C@@](O1)(Cn1ccnc1)c1c(cc(cc1)Cl)Cl"	"XMAYWYJOQHXEEK-ZEQKJWHPSA-N"	"InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1"	""	""	""
"7603"	"levomepromazine"	""	"Synthetic organic"	"yes"	""	""	""	"223365938"	"72287"	""	""	"CHEMBL1764"	""	""	""	""	"(2R)-3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine"	"levomepromazine"	"Levoprome&reg;|methotrimeprazine|Nosinan&reg;|Nozinan&reg;|RP-7044|SK&F-5116"	"COc1ccc2c(c1)N(C[C@@H](CN(C)C)C)c1c(S2)cccc1"	"VRQVVMDWGGWHTJ-CQSZACIVSA-N"	"InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1"	""	""	""
"7212"	"levomethadyl acetate"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103787"	"15130"	""	""	"CHEMBL1514"	""	""	""	""	"(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl acetate"	"levacetylmethadol"	"LAAM|MK-790|Orlaam&reg;"	"CC[C@@H](C(c1ccccc1)(c1ccccc1)C[C@@H](N(C)C)C)OC(=O)C"	"XBMIVRRWGCYBTQ-AVRDEDQJSA-N"	"InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1"	""	""	""
"7435"	"levomilnacipran"	""	"Synthetic organic"	"yes"	""	""	""	"178104007"	"6917779"	""	""	"CHEMBL99946"	""	""	""	""	"(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide"	"levomilnacipran"	"F-2695|Fetzima&reg;"	"NC[C@@H]1C[C@]1(c1ccccc1)C(=O)N(CC)CC"	"GJJFMKBJSRMPLA-DZGCQCFKSA-N"	"InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1"	""	""	""
"10757"	"levonadifloxacin"	""	"Synthetic organic"	""	""	""	""	"405560198"	"9850038"	""	""	"CHEMBL190561"	""	""	""	""	""	"levonadifloxacin"	"(S)-(-)-nadifloxacin|WCK 771|WCK-771|WCK771"	"OC1CCN(CC1)c1c(F)cc2c3c1CC[C@@H](n3cc(c2=O)C(=O)O)C"	"JYJTVFIEFKZWCJ-JTQLQIEISA-N"	"InChI=1S/C19H21FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21/h8-11,23H,2-7H2,1H3,(H,25,26)/t10-/m0/s1"	""	""	"yes"
"11818"	"levonantradol"	""	"Synthetic organic"	""	""	""	""	"458923853"	"5361881"	""	""	"CHEMBL2111116"	""	""	""	""	""	"levonantradol"	"(-)-nantradol|CP 50,556-1"	"C[C@H]1[C@@H]2CC[C@H](C[C@H]2c2c(N1)cc(cc2OC(=O)C)O[C@H](C)CCCc1ccccc1)O"	"FFVXQGMUHIJQAO-BFKQJKLPSA-N"	"InChI=1S/C27H35NO4/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3/t17-,18+,21-,23+,24-/m1/s1"	""	""	""
"2881"	"levonorgestrel"	""	"Synthetic organic"	"yes"	""	""	""	"135650516"	"13109"	""	""	"CHEMBL1389"	""	""	""	""	"(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one"	"levonorgestrel|norgestrel"	"l-norgestrel|Norplant&reg;"	"C#C[C@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12"	"WWYNJERNGUHSAO-XUDSTZEESA-N"	"InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1"	""	""	""
"10826"	"levopropicillin"	""	"Synthetic organic"	""	""	""	""	"405560267"	"172994"	""	""	"CHEMBL3990988"	""	""	""	""	"(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2S)-2-phenoxybutanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"levopropicillin"	"BRL-284|BRL284|L-Propicillin|P-248|P248"	"CC[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)Oc1ccccc1"	"HOCWPKXKMNXINF-RSUWNVLCSA-N"	"InChI=1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/t11-,12+,13-,16+/m0/s1"	""	""	"yes"
"7595"	"levorphanol"	""	"Synthetic organic"	"yes"	""	""	""	"223365930"	"5359272"	""	""	"CHEMBL592"	""	""	""	""	""	"levorphanol"	"(-) 3-hydroxy-<i>N</i>-methylmorphinan|Levo-Dromoran&reg;|levorphanol hydrochloride|levorphanol tartrate"	"Oc1ccc2c(c1)[C@]13CCCC[C@H]3[C@@H](C2)N(CC1)C"	"JAQUASYNZVUNQP-USXIJHARSA-N"	"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1"	""	""	""
"9816"	"levosalbutamol"	""	"Synthetic organic"	"yes"	""	""	""	"354702288"	"123600"	""	""	"CHEMBL1002"	""	""	""	""	"4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol"	"levosalbutamol"	"(-)-albuterol|(-)-salbutamol|(R)-salbutamol|levalbuterol|Xopenex&reg;"	"OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O"	"NDAUXUAQIAJITI-LBPRGKRZSA-N"	"InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1"	"yes"	""	""
"2775"	"lexacalcitol"	""	"Synthetic organic"	""	""	""	""	"135650456"	"5288670"	""	""	"CHEMBL432600"	""	""	""	""	"(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1R)-1-(4-ethyl-4-hydroxyhexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol"	"lexacalcitol"	"1&alpha;,25-(OH),-20-epi-22-oxa-24,26,27-trishomovitamin D|KH1060"	"CCC(CCCO[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)C[C@@H](C1=C)O)C)(CC)O"	"KLZOTDOJMRMLDX-YBBVPDDNSA-N"	"InChI=1S/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24-,25-,26+,27+,28-/m1/s1"	""	""	""
"14053"	"LF22"	""	"Synthetic organic"	""	""	""	""	"518520680"	"176516520"	""	""	""	""	""	""	""	"3-[2-(hydroxymethyl)-3-phenylazetidine-1-carbonyl]-5-(trifluoromethyl)phenol"	""	""	"OCC1C(CN1C(=O)C2=CC(=CC(O)=C2)C(F)(F)F)C3=CC=CC=C3"	"RQZFOGOCQQTZEW-UHFFFAOYSA-N"	"InChI=1S/C18H16F3NO3/c19-18(20,21)13-6-12(7-14(24)8-13)17(25)22-9-15(16(22)10-23)11-4-2-1-3-5-11/h1-8,15-16,23-24H,9-10H2"	""	""	""
"14344"	"LFF571"	""	"Peptide"	""	""	""	""	"523352136"	"42638236"	""	""	"CHEMBL2063705"	""	""	""	""	""	""	"J3.333.591A|LFF 571|LFF-571"	"O=C1C=2N=C(C=3C(C=4N=C(SC4)C=5N=C(SC5)[C@]([C@@H](O)C6=CC=CC=C6)(NC(=O)CNC(=O)C7=C(COC)SC([C@H](C(C)C)NC(=O)C=8N=C([C@H](CC(NC)=O)N1)SC8C)=N7)[H])=NC(=CC3)C9=NC(N(C(O[C@@H]%10CC[C@@H](C(O)=O)CC%10)=O)CCCCC(O)=O)=CS9)SC2"	"GNLYKLDXQZHYTR-LMOGNUDZSA-N"	"InChI=1S/C60H63N13O13S6/c1-28(2)44-58-72-47(39(92-58)23-85-5)51(80)62-22-42(75)69-48(49(78)30-11-7-6-8-12-30)57-67-38(26-89-57)55-65-36(24-88-55)46-33(53-66-37(25-87-53)50(79)64-35(21-41(74)61-4)56-71-45(29(3)91-56)52(81)70-44)18-19-34(63-46)54-68-40(27-90-54)73(20-10-9-13-43(76)77)60(84)86-32-16-14-31(15-17-32)59(82)83/h6-8,11-12,18-19,24-28,31-32,35,44,48-49,78H,9-10,13-17,20-23H2,1-5H3,(H,61,74)(H,62,80)(H,64,79)(H,69,75)(H,70,81)(H,76,77)(H,82,83)/t31-,32-,35-,44-,48-,49-/m0/s1"	""	""	"yes"
"9262"	"LFM-A13"	""	"Synthetic organic"	""	""	""	""	"315661337"	"54676905"	""	""	""	""	""	""	""	"(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide"	""	"&alpha;-cyano-beta-hydroxy-&beta;-methyl-N-(2, 5-dibromophenyl)propenamide|alpha-cyano-beta-hydroxy-beta-methyl-N-(2, 5-dibromophenyl)propenamide"	"C/C(=C(/C(=O)Nc1cc(Br)ccc1Br)\C#N)/O"	"UVSVTDVJQAJIFG-VURMDHGXSA-N"	"InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,16H,1H3,(H,15,17)/b8-6-"	"yes"	""	""
"4721"	"L-fucose"	""	"Metabolite"	""	""	""	""	"178101432"	"3034656"	""	""	""	""	""	""	""	"(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal"	""	""	"O=C[C@H]([C@@H]([C@@H]([C@@H](O)C)O)O)O"	"PNNNRSAQSRJVSB-KCDKBNATSA-N"	"InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6-/m0/s1"	""	""	""
"2808"	"LG100268"	""	"Synthetic organic"	""	""	""	""	"135650517"	"3922"	""	""	"CHEMBL288436"	""	""	""	""	"6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid"	""	"LG-100268"	"Cc1cc2c(cc1C1(CC1)c1ccc(cn1)C(=O)O)C(C)(C)CCC2(C)C"	"SLXTWXQUEZSSTJ-UHFFFAOYSA-N"	"InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27)"	""	""	""
"2814"	"LG100754"	""	"Synthetic organic"	""	""	""	""	"135650518"	"6442223"	""	""	"CHEMBL109581"	""	""	""	""	"(2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-6, 7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid"	""	"LG 100754|LG754"	"CCCOc1cc2c(cc1/C(=C\C=C\C(=C\C(=O)O)\C)/C)C(C)(C)CCC2(C)C"	"HNODNXQAYXJFMQ-LQUSFLDPSA-N"	"InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11-"	""	""	""
"2787"	"LG190178"	""	"Synthetic organic"	""	""	""	""	"135650519"	"15521397"	""	""	"CHEMBL197589"	""	""	""	""	"3-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol"	""	"LG-190178"	"OCC(COc1ccc(cc1C)C(c1ccc(c(c1)C)OCC(C(C)(C)C)O)(CC)CC)O"	"AIKLCYAFOOBGEV-UHFFFAOYSA-N"	"InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3"	""	""	""
"9367"	"LGB321"	""	"Synthetic organic"	""	""	""	""	"328083469"	"46179018"	""	""	"CHEMBL3105022"	""	""	""	""	"N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide"	""	""	"C[C@H]1CN(C[C@H]([C@@H]1O)N)c1ccncc1NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F"	"ODZZYKUYGVLOTQ-ONJZCGHCSA-N"	"InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1"	""	""	""
"11167"	"LGK974"	""	"Synthetic organic"	""	""	""	""	"434122227"	"46926973"	""	""	"CHEMBL3188386"	""	""	""	""	"2-[5-methyl-6-(2-methylpyridin-4-yl)pyridin-3-yl]-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide"	""	"LGK-974|WNT-974|WNT974"	"O=C(Nc1ccc(cn1)c1cnccn1)Cc1cnc(c(c1)C)c1ccnc(c1)C"	"XXYGTCZJJLTAGH-UHFFFAOYSA-N"	"InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)"	""	""	""
"4719"	"L-glucose"	""	"Metabolite"	""	""	""	""	"178101430"	"10954115"	""	""	""	""	""	""	""	"(2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanal"	""	""	"OC[C@@H]([C@@H]([C@H]([C@@H](C=O)O)O)O)O"	"GZCGUPFRVQAUEE-VANKVMQKSA-N"	"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m1/s1"	""	""	""
"1369"	"L-glutamic acid"	""	"Metabolite"	""	""	""	""	"135651501"	"33032"	""	""	"CHEMBL575060"	""	""	""	""	"(2S)-2-aminopentanedioic acid"	"glutamic acid"	"L-Glu|L-glutamate|poly-L-glutamate"	"OC(=O)CC[C@@H](C(=O)O)N"	"WHUUTDBJXJRKMK-VKHMYHEASA-N"	"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1"	""	""	""
"723"	"L-glutamine"	""	"Metabolite"	""	""	""	""	"135651502"	"5961"	""	""	"CHEMBL930"	""	""	""	""	"(2S)-2,5-diamino-5-oxopentanoic acid"	"glutamine"	""	"NC(=O)CC[C@@H](C(=O)O)N"	"ZDXPYRJPNDTMRX-VKHMYHEASA-N"	"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1"	""	""	""
"3893"	"LGR7-truncate"	""	"Peptide"	""	""	""	""	"178100728"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4389"	"LH"	"Mouse"	"Peptide"	""	""	""	""	"135651805"	"0"	"O09108|P01216"	"ENSMUSG00000100916|ENSMUSG00000028298"	""	"4388|4377"	"LH &beta; subunit|glycoprotein hormone common alpha subunit"	"O09108|P01216"	"ENSMUSG00000100916|ENSMUSG00000028298"	""	""	"luteinising hormone|luteinizing hormone"	""	""	""	""	""	""
"4391"	"LH"	"Rat"	"Peptide"	""	""	""	""	"135651803"	"0"	"P01230|P70516"	"ENSRNOG00000047040|ENSRNOG00000009269"	""	"4378|4390"	"glycoprotein hormone common alpha subunit|LH &beta; subunit"	"P11962|P01230"	"ENSRNOG00000009269|ENSRNOG00000047040"	""	""	"luteinising hormone|luteinizing hormone"	""	""	""	""	""	""
"1159"	"LH"	"Human"	"Peptide"	"yes"	""	""	""	"135651804"	"0"	"P01229|P01215"	"ENSG00000135346|ENSG00000104826"	"CHEMBL1201419"	"3732|3731"	"LH &beta; subunit|glycoprotein hormone common alpha subunit"	"P01229|P01215"	"ENSG00000104826|ENSG00000135346"	""	"lutropin alfa"	"luteinising hormone|luteinizing hormone"	""	""	""	""	""	""
"3732"	"LH &beta; subunit"	"Human"	"Peptide"	""	""	""	""	"135651941"	"0"	"P01229"	"ENSG00000104826"	""	""	""	""	""	""	""	"LH&beta;|luteinising hormone subunit beta|luteinizing hormone subunit beta|lutropin subunit beta"	""	""	""	""	""	""
"4390"	"LH &beta; subunit"	"Rat"	"Peptide"	""	""	""	""	"135651940"	"0"	"P01230"	"ENSRNOG00000047040"	""	""	""	""	""	""	""	"LH beta subunit|luteinising hormone subunit beta|luteinizing hormone subunit beta|lutropin subunit beta"	""	""	""	""	""	""
"4388"	"LH &beta; subunit"	"Mouse"	"Peptide"	""	""	""	""	"135651942"	"0"	"O09108"	"ENSMUSG00000100916"	""	""	""	""	""	""	""	"LH&beta;|luteinising hormone &beta; subunit|lutropin &beta; subunit"	""	""	""	""	""	""
"3310"	"L-histidine"	""	"Metabolite"	""	""	""	""	"178100344"	"6274"	""	""	"CHEMBL17962"	""	""	""	""	"(2S)-2-amino-3-(imidazol-4-yl)propanoic acid"	"histidine"	"L-His"	"N[C@H](C(=O)O)Cc1c[nH]cn1"	"HNDVDQJCIGZPNO-YFKPBYRVSA-N"	"InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1"	""	""	""
"5198"	"L-homocysteine"	""	"Metabolite"	""	""	""	""	"178101886"	"91552"	""	""	"CHEMBL469662"	""	""	""	""	"(2S)-2-amino-4-sulfanylbutanoic acid"	""	"homocysteine"	"N[C@H](C(=O)O)CCS"	"FFFHZYDWPBMWHY-VKHMYHEASA-N"	"InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1"	""	""	""
"9298"	"LHVS"	""	"Synthetic organic"	""	""	""	""	"318164817"	"23648296"	""	""	"CHEMBL222649"	""	""	""	""	"N-[(2R)-4-methyl-1-oxo-1-[[(E,3R)-5-phenyl-1-phenylsulfonylpent-1-en-3-yl]amino]pentan-2-yl]morpholine-4-carboxamide"	""	"morpholinurea-leucine-homophenylalanine-vinylsulfone-phenyl|morpholinurea-leucine-homophenylalaninevinyl phenyl sulfone"	"CC(C[C@H](C(=O)N[C@@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)NC(=O)N1CCOCC1)C"	"YUMYYTORLYHUFW-ZUDLOMHPSA-N"	"InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/b20-15+/t24-,26-/m1/s1"	"yes"	""	""
"5210"	"liarozole"	""	"Synthetic organic"	""	""	""	""	"178101896"	"60652"	""	""	"CHEMBL389433"	""	""	""	""	"5-[(3-chlorophenyl)(1H-imidazol-1-yl)methyl]-1H-1,3-benzodiazole"	"liarozole"	""	"Clc1cccc(c1)C(n1cncc1)c1ccc2c(c1)nc[nH]2"	"UGFHIPBXIWJXNA-UHFFFAOYSA-N"	"InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)"	""	""	""
"10654"	"licogliflozin"	""	"Synthetic organic"	""	""	""	""	"404859101"	"52913524"	""	""	""	""	""	""	""	"(2S,3R,4R,5S,6R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol"	"licogliflozin"	"example 62 [WO2011048112A1]|LIK-066|LIK066"	"OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc3c(c2)OCCO3)CC)[C@@H]([C@H]([C@@H]1O)O)O"	"XFJAMQQAAMJFGB-ZQGJOIPISA-N"	"InChI=1S/C23H28O7/c1-2-14-4-5-15(23-22(27)21(26)20(25)19(12-24)30-23)11-16(14)9-13-3-6-17-18(10-13)29-8-7-28-17/h3-6,10-11,19-27H,2,7-9,12H2,1H3/t19-,20-,21+,22-,23+/m1/s1"	""	""	""
"14060"	"licoisoflavone A"	""	"Natural product"	""	""	""	""	"518520687"	"5281789"	""	""	"CHEMBL4061300"	""	""	""	""	"3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one"	""	""	"CC(=CCC1=C(C=CC(=C1O)C2=COC3=CC(=CC(=C3C2=O)O)O)O)C"	"KCUZCRLRQVRBBV-UHFFFAOYSA-N"	"InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3"	""	""	""
"2623"	"lidocaine"	""	"Synthetic organic"	"yes"	""	""	""	"135650521"	"3676"	""	""	"CHEMBL79"	""	""	""	""	"2-diethylamino-N-(2,6-dimethylphenyl)acetamide"	"lidocaine"	"Xylocaine&reg;"	"CCN(CC(=O)Nc1c(C)cccc1C)CC"	"NNJVILVZKWQKPM-UHFFFAOYSA-N"	"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)"	""	""	""
"7411"	"lidorestat"	""	"Synthetic organic"	""	""	""	""	"178103983"	"157839"	""	""	"CHEMBL363387"	""	""	""	""	"2-[3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]acetic acid"	"lidorestat"	"IDD-000676-01|IDD-676"	"OC(=O)Cn1cc(c2c1cccc2)Cc1sc2c(n1)c(F)c(cc2F)F"	"KYHVTMFADJNSGS-UHFFFAOYSA-N"	"InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)"	""	""	""
"5016"	"LIF"	"Human"	"Peptide"	""	""	""	""	"178101713"	"0"	"P15018"	"ENSG00000128342"	""	""	""	""	""	""	""	"cholinergic differentiation factor (CDF)|differentiation-inducing factor (DIF)|human interleukin in DA cells (HILDA)"	""	""	""	"yes"	""	""
"8405"	"lifastuzumab vedotin"	""	"Antibody"	""	""	""	""	"252166615"	"0"	""	""	""	""	""	""	""	""	"lifastuzumab vedotin"	"DNIB0600A|RG-7599|RG7599"	""	""	""	""	""	""
"5885"	"lifibrol"	""	"Synthetic organic"	""	""	""	""	"178102509"	"57112"	""	""	"CHEMBL2105019"	""	""	""	""	"4-[4-(4-tert-butylphenyl)-2-hydroxybutoxy]benzoic acid"	"lifibrol"	"K 12148|K12.148|U-83860"	"OC(COc1ccc(cc1)C(=O)O)CCc1ccc(cc1)C(C)(C)C"	"LNXBEIZREVRNTF-UHFFFAOYSA-N"	"InChI=1S/C21H26O4/c1-21(2,3)17-9-4-15(5-10-17)6-11-18(22)14-25-19-12-7-16(8-13-19)20(23)24/h4-5,7-10,12-13,18,22H,6,11,14H2,1-3H3,(H,23,24)"	""	""	""
"8958"	"lifirafenib"	""	"Synthetic organic"	""	""	""	""	"310264739"	"89670174"	""	""	""	""	""	""	""	"5-[[(1R,1aS,6bR)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one"	"lifirafenib"	"BGB-283|compound 2.2b"	"O=C1CCc2c(N1)nccc2Oc1ccc2c(c1)[C@@H]1[C@H](O2)[C@H]1c1nc2c([nH]1)cc(cc2)C(F)(F)F"	"NGFFVZQXSRKHBM-FKBYEOEOSA-N"	"InChI=1S/C25H17F3N4O3/c26-25(27,28)11-1-4-15-16(9-11)31-24(30-15)21-20-14-10-12(2-5-17(14)35-22(20)21)34-18-7-8-29-23-13(18)3-6-19(33)32-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,30,31)(H,29,32,33)/t20-,21-,22-/m0/s1"	""	""	""
"7533"	"lifitegrast"	""	"Synthetic organic"	"yes"	""	""	""	"187051834"	"11965427"	""	""	"CHEMBL2048028"	""	""	""	""	"(2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid"	"lifitegrast"	"compound 1g [PMID: 24900456]|SAR 1118|SAR-1118|SAR-1118-023|Xiidra&reg;"	"OC(=O)[C@@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C2)C(=O)c1ccc2c(c1)occ2)Cc1cccc(c1)S(=O)(=O)C"	"JFOZKMSJYSPYLN-QHCPKHFHSA-N"	"InChI=1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1"	"yes"	""	""
"14696"	"lifonebart"	""	"Antibody"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"lifonebart"	"VHB-937|VHB937"	""	""	""	""	""	""
"8997"	"ligelizumab"	""	"Antibody"	""	""	""	""	"310264775"	"0"	""	""	""	""	""	""	""	""	"ligelizumab"	"CL-2C|NVP-QGE031|QGE031"	""	""	""	"yes"	""	""
"5070"	"LIGHT"	"Human"	"Peptide"	""	""	""	""	"178101763"	"0"	"O43557"	"ENSG00000125735"	""	""	""	""	""	""	""	"Herpesvirus entry mediator-ligand|TR2"	""	""	""	"yes"	""	""
"14072"	"ligritinib"	""	"Synthetic organic"	""	""	""	""	"518520699"	"170545987"	""	""	""	""	""	""	""	"6-[(7S)-3-[3-[5-(3-methylpyridin-2-yl)pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]-3-oxa-6-azabicyclo[3.1.1]heptane"	"ligritinib"	"AB-801|AB801|compound 37 [PMID: 40407274]|example 26 [WO2024006726]"	"CC1=C(N=CC=C1)C2=CN=C(C=C2)C3=C4C=C(C=NC4=NN3)C5=CC6=C(CC[C@@H](CC6)N7C8CC7COC8)C=C5"	"IANIKXYKEWAAKX-XWYKLZMASA-N"	"InChI=1S/C33H32N6O/c1-20-3-2-12-34-31(20)24-8-11-30(35-16-24)32-29-14-25(17-36-33(29)38-37-32)23-5-4-21-6-9-26(10-7-22(21)13-23)39-27-15-28(39)19-40-18-27/h2-5,8,11-14,16-17,26-28H,6-7,9-10,15,18-19H2,1H3,(H,36,37,38)/t26-,27?,28?/m0/s1"	""	""	""
"13887"	"ligufalimab"	""	"Antibody"	""	""	""	""	"513757572"	"0"	""	""	""	""	""	""	""	""	"ligufalimab"	"AK-117|AK117"	""	""	""	"yes"	""	""
"14479"	"ligustilide"	""	"Natural product"	""	""	""	""	"528429800"	"5319022"	""	""	"CHEMBL481246"	""	""	""	""	"(3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one"	""	"(Z)-ligustilide|cis-ligustilide"	"CCC/C=C\1/C2=C(C=CCC2)C(=O)O1"	"IQVQXVFMNOFTMU-FLIBITNWSA-N"	"InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8-"	""	""	""
"11084"	"LIH383"	""	"Peptide"	""	""	""	""	"434122145"	"154733030"	""	""	""	""	""	""	""	""	""	""	"CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O"	"SGGIVBFIASEYOE-LBBUGJAGSA-N"	"InChI=1S/C45H71N15O9S/c1-70-23-19-33(59-42(67)35(25-29-14-6-3-7-15-29)56-37(62)27-54-36(61)26-55-38(63)30(47)24-28-12-4-2-5-13-28)41(66)58-31(17-10-21-52-44(48)49)39(64)57-32(18-11-22-53-45(50)51)40(65)60-34(43(68)69)16-8-9-20-46/h2-7,12-15,30-35H,8-11,16-27,46-47H2,1H3,(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,58,66)(H,59,67)(H,60,65)(H,68,69)(H4,48,49,52)(H4,50,51,53)/t30-,31-,32-,33-,34-,35-/m0/s1"	""	""	""
"9950"	"lilotomab"	""	"Antibody"	""	""	""	""	"374883837"	"0"	""	""	""	""	""	""	""	""	"lilotomab"	"Betalutin&reg;|HH1|tetulomab"	""	""	""	"yes"	""	""
"14195"	"limertinib"	""	"Synthetic organic"	"yes"	""	""	""	"518520822"	"121371196"	""	""	""	""	""	""	""	"N-[5-[[5-chloro-4-(naphthalen-2-ylamino)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide"	""	"ASK-120067"	"CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=C(C(=N2)NC3=CC4=CC=CC=C4C=C3)Cl)OC"	"QHPVTCLSVVUPOF-UHFFFAOYSA-N"	"InChI=1S/C29H32ClN7O2/c1-6-27(38)33-23-16-24(26(39-5)17-25(23)37(4)14-13-36(2)3)34-29-31-18-22(30)28(35-29)32-21-12-11-19-9-7-8-10-20(19)15-21/h6-12,15-18H,1,13-14H2,2-5H3,(H,33,38)(H2,31,32,34,35)"	""	""	""
"9839"	"LIMKi3"	""	"Synthetic organic"	""	""	""	""	"363894133"	"56965901"	""	""	""	""	""	""	""	"N-[5-[2-(2,6-dichlorophenyl)-5-(difluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide"	""	"BMS 5|BMS-5|LIMKi 3"	"O=C(C(C)C)Nc1ncc(s1)c1cc(nn1c1c(Cl)cccc1Cl)C(F)F"	"IVUGBSGLHRJSSP-UHFFFAOYSA-N"	"InChI=1S/C17H14Cl2F2N4OS/c1-8(2)16(26)23-17-22-7-13(27-17)12-6-11(15(20)21)24-25(12)14-9(18)4-3-5-10(14)19/h3-8,15H,1-2H3,(H,22,23,26)"	""	""	""
"5017"	"linaclotide"	""	"Peptide"	"yes"	""	""	""	"178101714"	"16158208"	""	""	""	""	""	""	""	""	"linaclotide"	"Constella&reg;|Linzess&reg;|MM-416775"	"C[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N3)N)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N1)CC(=O)N)Cc1ccc(cc1)O)CCC(=O)O"	"KXGCNMMJRFDFNR-WDRJZQOASA-N"	"InChI=1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)/t26-,27+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1"	""	""	""
"14569"	"linafexor"	""	"Synthetic organic"	""	""	""	""	"530846817"	"166997176"	""	""	""	""	""	""	""	"3-[4-[(1R,5S)-3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-fluorophenyl]-4H-1,2,4-oxadiazol-5-one"	""	"CS-0159|CS0159"	"C1C[C@H]2CC(C[C@@H]1N2C3=CC(=C(C=C3)C4=NOC(=O)N4)F)OCC5=C(ON=C5C6=C(C=CC=C6Cl)Cl)C7CC7"	"CEEANZUSISGCJL-BYICEURKSA-N"	"InChI=1S/C28H25Cl2FN4O4/c29-21-2-1-3-22(30)24(21)25-20(26(38-33-25)14-4-5-14)13-37-18-10-15-6-7-16(11-18)35(15)17-8-9-19(23(31)12-17)27-32-28(36)39-34-27/h1-3,8-9,12,14-16,18H,4-7,10-11,13H2,(H,32,34,36)/t15-,16+,18?"	"yes"	""	""
"6318"	"linagliptin"	""	"Synthetic organic"	"yes"	""	""	""	"178102936"	"10096344"	""	""	"CHEMBL237500"	""	""	""	""	"8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione"	"linagliptin"	"BI-1356|Tradjenta&reg;"	"CC#CCn1c(nc2c1c(=O)n(Cc1nc(C)c3c(n1)cccc3)c(=O)n2C)N1CCC[C@H](C1)N"	"LTXREWYXXSTFRX-QGZVFWFLSA-N"	"InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1"	""	""	""
"2469"	"linalool"	""	"Natural product"	""	""	""	""	"135650522"	"6549"	""	""	"CHEMBL25306"	""	""	""	""	"3,7-Dimethylocta-1,6-dien-3-ol"	""	""	"C=CC(CCC=C(C)C)(O)C"	"CDOSHBSSFJOMGT-UHFFFAOYSA-N"	"InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3"	""	""	""
"13761"	"linaprazan"	""	"Synthetic organic"	"yes"	""	""	""	"507750394"	"9951066"	""	""	"CHEMBL497011"	""	""	""	""	"8-[(2,6-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide"	"linaprazan"	"AZD-0865|AZD0865|compound 2 [PMID: 19467868]"	"CC1=C(C(=CC=C1)C)CNC2=CC(=CN3C2=NC(=C3C)C)C(=O)NCCO"	"GHVIMBCFLRTFHI-UHFFFAOYSA-N"	"InChI=1S/C21H26N4O2/c1-13-6-5-7-14(2)18(13)11-23-19-10-17(21(27)22-8-9-26)12-25-16(4)15(3)24-20(19)25/h5-7,10,12,23,26H,8-9,11H2,1-4H3,(H,22,27)"	""	""	""
"10941"	"lincomycin"	""	"Natural product"	"yes"	""	""	""	"405560382"	"3000540"	""	""	"CHEMBL1447"	""	""	""	""	"(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide"	"lincomycin"	"Bactramycin&reg;|L-Mycin&reg;|LCM|Lincocin&reg;|Lincorex&reg;|U 10,149A|U-10149"	"CCC[C@H]1CN([C@@H](C1)C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@@H]([C@H]([C@H]2O)O)O)[C@H](O)C)C"	"OJMMVQQUTAEWLP-KIDUDLJLSA-N"	"InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1"	""	""	"yes"
"14439"	"linerixibat"	""	"Synthetic organic"	"yes"	""	""	""	"528429760"	"53492727"	""	""	"CHEMBL2387408"	""	""	""	""	"3-[[(3R,5R)-3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1λ6,4-benzothiazepin-8-yl]methylamino]pentanedioic acid"	"linerixibat"	"compound 56 [PMID: 23678871]|GSK-2330672|GSK2330672|Lynavoy&reg;"	"CCCC[C@]1(CC)CS(=O)(=O)C2=CC(CNC(CC(=O)O)CC(=O)O)=C(OC)C=C2[C@@H](C3=CC=CC=C3)N1"	"CZGVOBIGEBDYTP-VSGBNLITSA-N"	"InChI=1S/C28H38N2O7S/c1-4-6-12-28(5-2)18-38(35,36)24-13-20(17-29-21(14-25(31)32)15-26(33)34)23(37-3)16-22(24)27(30-28)19-10-8-7-9-11-19/h7-11,13,16,21,27,29-30H,4-6,12,14-15,17-18H2,1-3H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1"	""	""	""
"10827"	"linezolid"	""	"Synthetic organic"	"yes"	""	""	""	"405560268"	"441401"	""	""	"CHEMBL126"	""	""	""	""	"N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide"	"linezolid"	"PNU-100766|PNU100766|U-100,766|U-100766|ZLD|Zyvox&reg;"	"CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCOCC1"	"TYZROVQLWOKYKF-ZDUSSCGKSA-N"	"InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1"	""	""	"yes"
"5657"	"linifanib"	""	"Synthetic organic"	""	""	""	""	"178102285"	"11485656"	""	""	"CHEMBL223360"	""	""	""	""	"1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea"	"linifanib"	"ABT 869|ABT-869"	"O=C(Nc1cc(C)ccc1F)Nc1ccc(cc1)c1cccc2c1c(N)n[nH]2"	"MPVGZUGXCQEXTM-UHFFFAOYSA-N"	"InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)"	""	""	""
"1052"	"linoleic acid"	""	"Metabolite"	""	""	""	""	"135651503"	"5280450"	""	""	"CHEMBL267476"	""	""	""	""	"(9Z,12Z)-octadeca-9,12-dienoic acid"	""	"C18:2|linoleate|linolic acid|telfairic acid"	"CCCCC/C=C\C/C=C\CCCCCCCC(=O)O"	"OYHQOLUKZRVURQ-HZJYTTRNSA-N"	"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-"	""	""	""
"2599"	"linopirdine"	""	"Synthetic organic"	""	""	""	""	"135650523"	"3932"	""	""	"CHEMBL319111"	""	""	""	""	"1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one"	"linopirdine"	""	"O=C1N(c2ccccc2)c2c(C1(Cc1ccncc1)Cc1ccncc1)cccc2"	"YEJCDKJIEMIWRQ-UHFFFAOYSA-N"	"InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2"	""	""	""
"10466"	"linperlisib"	""	"Synthetic organic"	""	""	""	""	"385612226"	"91754520"	""	""	""	""	""	""	""	"N-[5-[6-fluoro-8-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylquinazolin-4-yl]-2-methoxypyridin-3-yl]methanesulfonamide"	"linperlisib"	"compound 10 [US20160244432]|PI3Kdelta-IN-2|YY-20394|YY20394"	"COc1ncc(cc1NS(=O)(=O)C)c1nc(nc2c1cc(F)cc2CN1CCC(CC1)C(O)(C)C)N1CCOCC1"	"NVWKNQGHVMMAJW-UHFFFAOYSA-N"	"InChI=1S/C28H37FN6O5S/c1-28(2,36)20-5-7-34(8-6-20)17-19-13-21(29)15-22-24(31-27(32-25(19)22)35-9-11-40-12-10-35)18-14-23(33-41(4,37)38)26(39-3)30-16-18/h13-16,20,33,36H,5-12,17H2,1-4H3"	""	""	""
"9707"	"linrodostat"	""	"Synthetic organic"	""	""	""	""	"348353666"	"121328278"	""	""	""	""	""	""	""	"(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide"	"linrodostat"	"BMS-986205|BMS986205|Compound 2 [PMID: 29531094]|Example 19 [US20160137652A1]"	"Clc1ccc(cc1)NC(=O)[C@@H](C1CCC(CC1)c1ccnc2c1cc(F)cc2)C"	"KRTIYQIPSAGSBP-KLAILNCOSA-N"	"InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16?,17?/m1/s1"	"yes"	""	""
"7423"	"linsitinib"	""	"Synthetic organic"	""	""	""	""	"178103995"	"11640390"	""	""	"CHEMBL1091644"	""	""	""	""	"3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol"	"linsitinib"	"ASP-7487|OSI 906|OSI-906|OSI906"	"Nc1nccn2c1c(nc2[C@@H]1C[C@](C1)(C)O)c1ccc2c(c1)nc(cc2)c1ccccc1"	"PKCDDUHJAFVJJB-VLZXCDOPSA-N"	"InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+"	""	""	""
"890"	"lintitript"	""	"Synthetic organic"	""	""	""	""	"135650524"	"122077"	""	""	"CHEMBL249973"	""	""	""	""	"2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid"	"lintitript"	"SR-27897|SR27897"	"OC(=O)Cn1c(cc2c1cccc2)C(=O)Nc1scc(n1)c1ccccc1Cl"	"ILNRQFBVVQUOLP-UHFFFAOYSA-N"	"InChI=1S/C20H14ClN3O3S/c21-14-7-3-2-6-13(14)15-11-28-20(22-15)23-19(27)17-9-12-5-1-4-8-16(12)24(17)10-18(25)26/h1-9,11H,10H2,(H,25,26)(H,22,23,27)"	""	""	""
"7983"	"lintuzumab"	""	"Antibody"	""	""	""	""	"249565664"	"0"	""	""	""	""	""	""	""	""	"lintuzumab"	"ACTIMAB&reg;|HuM195|SGN-33|SMART M195"	""	""	""	"yes"	""	""
"13305"	"linvoseltamab"	""	"Antibody"	"yes"	""	""	""	"496703275"	"0"	""	""	""	""	""	""	""	""	"linvoseltamab"	"linvoseltamab-gcpt|Lynozyfic&reg;|REGN-5458|REGN5458"	""	""	""	""	""	""
"12283"	"linzagolix"	""	"Synthetic organic"	"yes"	""	""	""	"473153871"	"16656889"	""	""	""	""	""	""	""	"3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid"	"linzagolix"	"KLH-2109|KLH2109|OBE-2109|OBE2109|Yselty&reg;"	"COc1c(c(c(cc1)F)F)COc1c(cc(c(c1)n1c(=O)c2c(scc2[nH]c1=O)C(=O)O)F)OC"	"BMAAMIIYNNPHAB-UHFFFAOYSA-N"	"InChI=1S/C22H15F3N2O7S/c1-32-14-4-3-10(23)18(25)9(14)7-34-16-6-13(11(24)5-15(16)33-2)27-20(28)17-12(26-22(27)31)8-35-19(17)21(29)30/h3-6,8H,7H2,1-2H3,(H,26,31)(H,29,30)"	""	""	""
"4822"	"lipoic acid"	""	"Metabolite"	""	""	""	""	"178101524"	"6112"	""	""	"CHEMBL134342"	""	""	""	""	"5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid"	""	"&alpha;-lipoic acid|lipoate|tioctic acid"	"OC(=O)CCCC[C@H]1SSCC1"	"AGBQKNBQESQNJD-SSDOTTSWSA-N"	"InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1"	""	""	""
"13520"	"liposidomycin B"	""	"Natural product"	""	""	""	""	"500839930"	"443576"	""	""	""	""	""	""	""	"2-[[(2S,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-sulfooxyoxolan-2-yl]oxy-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-6-[3-(4-carboxy-3-methylbutanoyl)oxy-12-methyltridecanoyl]oxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid"	""	""	"CC(C)CCCCCCCCC(CC(=O)OC1CN(C(C(=O)N(C1C(=O)O)C)C([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)CN)O)OS(=O)(=O)O)C)OC(=O)CC(C)CC(=O)O"	"LGBOBVYRTQDYBA-ZUGGQKJLSA-N"	"InChI=1S/C42H67N5O21S/c1-21(2)12-10-8-6-7-9-11-13-23(63-28(51)17-22(3)16-27(49)50)18-29(52)64-25-20-45(4)31(38(56)46(5)30(25)40(57)58)35(67-41-37(68-69(60,61)62)32(53)24(19-43)65-41)36-33(54)34(55)39(66-36)47-15-14-26(48)44-42(47)59/h14-15,21-25,30-37,39,41,53-55H,6-13,16-20,43H2,1-5H3,(H,49,50)(H,57,58)(H,44,48,59)(H,60,61,62)/t22?,23?,24-,25?,30?,31?,32-,33+,34-,35?,36+,37-,39-,41+/m1/s1"	""	""	"yes"
"14356"	"liradasertib"	""	"Synthetic organic"	""	""	""	""	"523352148"	"132232498"	""	""	"CHEMBL5838116"	""	""	""	""	"2-N-[1-cyclopropyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine"	"liradasertib"	"BIIB122|DNL-151|DNL151"	"CCNC1=NC(=NC=C1C(F)(F)F)NC2=CC(=NN2C3CC3)C(C)(C)N4N=CC=N4"	"KMRYIKRXGJGPPB-UHFFFAOYSA-N"	"InChI=1S/C18H22F3N9/c1-4-22-15-12(18(19,20)21)10-23-16(27-15)26-14-9-13(28-29(14)11-5-6-11)17(2,3)30-24-7-8-25-30/h7-11H,4-6H2,1-3H3,(H2,22,23,26,27)"	""	""	""
"12370"	"lirafugratinib"	""	"Synthetic organic"	"yes"	""	""	""	"479821161"	"155309155"	""	""	""	""	""	""	""	"N-[4-[4-amino-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide"	"lirafugratinib"	"example 343 [WO2020231990A1]|Lyrfigtu&reg;|RLY-4008|RLY4008"	"Cc1nc(ncc1)Oc1c(cc(cc1)c1c(n(c2ncnc(c12)N)C)c1ccc(cc1)NC(=O)C(=C)C)F"	"XOQVZSSDIQQUGO-UHFFFAOYSA-N"	"InChI=1S/C28H24FN7O2/c1-15(2)27(37)35-19-8-5-17(6-9-19)24-22(23-25(30)32-14-33-26(23)36(24)4)18-7-10-21(20(29)13-18)38-28-31-12-11-16(3)34-28/h5-14H,1H2,2-4H3,(H,35,37)(H2,30,32,33)"	""	""	""
"1133"	"liraglutide"	""	"Peptide"	"yes"	""	""	""	"135652269"	"16134956"	""	""	"CHEMBL1201866"	""	""	""	""	""	"liraglutide"	"NN-2211|NN2211|NNC 90-1170|NNC-90-1170|Victoza&reg;"	"CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)O)CCCNC(=N)N)CCCNC(=N)N)C(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)C)[C@H](CC)C)Cc1ccccc1)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1[nH]cnc1)N)C)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CO)CO)Cc1ccc(cc1)O)CC(C)C)CCC(=O)O)CCC(=O)N)C)C"	"YSDQQAXHVYUZIW-QCIJIYAXSA-N"	"InChI=1S/C172H265N43O51/c1-18-20-21-22-23-24-25-26-27-28-29-30-37-53-129(224)195-116(170(265)266)59-64-128(223)180-68-41-40-50-111(153(248)199-115(62-67-135(232)233)154(249)204-120(73-100-44-33-31-34-45-100)159(254)214-140(93(11)19-2)167(262)192-97(15)146(241)201-122(76-103-79-183-108-49-39-38-48-106(103)108)157(252)203-118(72-90(5)6)158(253)212-138(91(7)8)165(260)200-110(52-43-70-182-172(177)178)149(244)184-81-130(225)193-109(51-42-69-181-171(175)176)148(243)187-84-137(236)237)196-144(239)95(13)189-143(238)94(12)191-152(247)114(58-63-127(174)222)194-131(226)82-185-151(246)113(61-66-134(230)231)198-155(250)117(71-89(3)4)202-156(251)119(75-102-54-56-105(221)57-55-102)205-162(257)124(85-216)208-164(259)126(87-218)209-166(261)139(92(9)10)213-161(256)123(78-136(234)235)206-163(258)125(86-217)210-169(264)142(99(17)220)215-160(255)121(74-101-46-35-32-36-47-101)207-168(263)141(98(16)219)211-132(227)83-186-150(245)112(60-65-133(228)229)197-145(240)96(14)190-147(242)107(173)77-104-80-179-88-188-104/h31-36,38-39,44-49,54-57,79-80,88-99,107,109-126,138-142,183,216-221H,18-30,37,40-43,50-53,58-78,81-87,173H2,1-17H3,(H2,174,222)(H,179,188)(H,180,223)(H,184,244)(H,185,246)(H,186,245)(H,187,243)(H,189,238)(H,190,242)(H,191,247)(H,192,262)(H,193,225)(H,194,226)(H,195,224)(H,196,239)(H,197,240)(H,198,250)(H,199,248)(H,200,260)(H,201,241)(H,202,251)(H,203,252)(H,204,249)(H,205,257)(H,206,258)(H,207,263)(H,208,259)(H,209,261)(H,210,264)(H,211,227)(H,212,253)(H,213,256)(H,214,254)(H,215,255)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,265,266)(H4,175,176,181)(H4,177,178,182)/t93-,94-,95-,96-,97-,98+,99+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,138-,139-,140-,141-,142-/m0/s1"	""	""	""
"9310"	"lirilumab"	""	"Antibody"	""	""	""	""	"318164829"	"0"	""	""	""	""	""	""	""	""	"lirilumab"	"1-7F9|BMS-986015|IPH2102"	""	""	""	"yes"	""	""
"13231"	"lirodegimod"	""	"Synthetic organic"	""	""	""	""	"491300013"	"171037450"	""	""	""	""	""	""	""	""	"lirodegimod"	""	"[H][C@@](NC(=O)CCCC1=CC=CC(OC[C@H](CCC(N)=O)NC(=O)[C@]2([H])CC[C@]3([H])CCN(CC([H])(NC(=O)C4=CC5=C(N4)C=CC(=C5)C(=O)P(O)(O)=O)C(=O)N23)C(C)=O)=C1Cl)(C(=O)N6C[C@H](O)C[C@@]6([H])C(=O)N[C@@H](C)C7=CC=C(C=C7)C8=C(C)N=CS8)C(C)(C)C"	"OANZCHOMQTZJOO-KMHQXASGSA-N"	"InChI=1S/C60H74ClN10O14PS/c1-32(35-13-15-37(16-14-35)52-33(2)63-31-87-52)64-56(78)47-27-42(73)28-70(47)58(80)53(60(4,5)6)68-50(75)12-8-10-36-9-7-11-48(51(36)61)85-30-40(18-22-49(62)74)65-55(77)46-21-19-41-23-24-69(34(3)72)29-45(57(79)71(41)46)67-54(76)44-26-39-25-38(17-20-43(39)66-44)59(81)86(82,83)84/h7,9,11,13-17,20,25-26,31-32,40-42,45-47,53,66,73H,8,10,12,18-19,21-24,27-30H2,1-6H3,(H2,62,74)(H,64,78)(H,65,77)(H,67,76)(H,68,75)(H2,82,83,84)/t32-,40-,41+,42+,45?,46-,47-,53+/m0/s1"	""	""	""
"13747"	"lirucitinib"	""	"Synthetic organic"	""	""	""	""	"507750380"	"155042158"	""	""	""	""	""	""	""	""	"lirucitinib"	"compound T4-B [US20220106319A1]|GGW-101|GGW101"	"[H][C@]1(CS(=N)(=O)CC)CC[C@@]([H])(CC1)N(C)C2=NC=NC3=C2C=CN3"	"CPIJQOJWCQTORE-IRGPHWNRSA-N"	"InChI=1S/C16H25N5OS/c1-3-23(17,22)10-12-4-6-13(7-5-12)21(2)16-14-8-9-18-15(14)19-11-20-16/h8-9,11-13,17H,3-7,10H2,1-2H3,(H,18,19,20)/t12-,13-,23?"	""	""	""
"13108"	"lisaftoclax"	""	"Synthetic organic"	"yes"	""	""	""	"491299890"	"137355972"	""	""	""	""	""	""	""	""	"lisaftoclax"	"APG-2575|APG2575"	"C1CC2(C1)CCC(=C(C2)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C5=CC(=C(C=C5)C(=O)NS(=O)(=O)C6=CC(=C(C=C6)NC[C@H]7COCCO7)[N+](=O)[O-])OC8=CN=C9C(=C8)C=CN9"	"FNBXDBIYRAPDPI-BHVANESWSA-N"	"InChI=1S/C45H48ClN7O8S/c46-33-4-2-30(3-5-33)39-25-45(12-1-13-45)14-10-32(39)28-51-16-18-52(19-17-51)34-6-8-38(42(23-34)61-35-22-31-11-15-47-43(31)49-26-35)44(54)50-62(57,58)37-7-9-40(41(24-37)53(55)56)48-27-36-29-59-20-21-60-36/h2-9,11,15,22-24,26,36,48H,1,10,12-14,16-21,25,27-29H2,(H,47,49)(H,50,54)/t36-/m0/s1"	""	""	""
"7213"	"lisdexamfetamine"	""	"Synthetic organic"	"yes"	""	""	""	"178103788"	"11597698"	""	""	"CHEMBL1201222"	""	""	""	""	"(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanimidic acid"	"lisdexamfetamine"	"NRP104|Vyvanse&reg;"	"NCCCC[C@@H](C(=N[C@H](Cc1ccccc1)C)O)N"	"VOBHXZCDAVEXEY-JSGCOSHPSA-N"	"InChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14-/m0/s1"	""	""	""
"6360"	"lisinopril"	""	"Synthetic organic"	"yes"	""	""	""	"178102978"	"5362119"	""	""	"CHEMBL1237"	""	""	""	""	"(2S)-1-[(2S)-6-amino-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid"	"lisinopril"	"Prinivil&reg;|Zestril&reg;"	"NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1"	"RLAWWYSOJDYHDC-BZSNNMDCSA-N"	"InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1"	""	""	""
"7893"	"lisinopril-tryptophan"	""	"Synthetic organic"	""	""	""	""	"223366216"	"45480144"	""	""	""	""	""	""	""	"(2S)-2-[[(2S)-6-amino-1-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-oxohexan-2-yl]amino]-4-phenylbutanoic acid"	""	"compound 5b [PMID: 16784843]|LisW"	"NCCCC[C@@H](C(=O)N[C@@H](C(=O)O)Cc1c[nH]c2c1cccc2)N[C@H](C(=O)O)CCc1ccccc1"	"JXNGDSIPMBNTNL-KMDXXIMOSA-N"	"InChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23-,24+/m0/s1"	""	""	""
"9225"	"lisofylline"	""	"Synthetic organic"	""	""	""	""	"315661300"	"501254"	""	""	"CHEMBL1411"	""	""	""	""	"1-[(5R)-5-hydroxyhexyl]-3,7-dimethylpurine-2,6-dione"	"lisofylline"	"(R)-lisophylline|CT-1501R"	"C[C@H](CCCCn1c(=O)c2n(C)cnc2n(c1=O)C)O"	"NSMXQKNUPPXBRG-SECBINFHSA-N"	"InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m1/s1"	"yes"	""	""
"3311"	"L-isoleucine"	""	"Metabolite"	""	""	""	""	"178100345"	"6306"	""	""	"CHEMBL1233584"	""	""	""	""	"(2S,3S)-2-Amino-3-methylpentanoic acid"	"isoleucine"	"L-Ile"	"CC[C@@H]([C@@H](C(=O)O)N)C"	"AGPKZVBTJJNPAG-WHFBIAKZSA-N"	"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1"	""	""	""
"5212"	"Li<sup>+</sup>"	""	"Inorganic"	"yes"	""	""	""	"178101897"	"3028194"	""	""	""	""	""	""	""	""	""	"lithium ion"	""	""	""	""	""	""
"43"	"lisuride"	""	"Synthetic organic"	"yes"	""	""	""	"135650525"	"28864"	""	""	"CHEMBL157138"	""	""	""	""	"3,3-diethyl-1-[(4S,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaen-4-yl]urea"	"lisuride"	"(+)-lisuride|Dopergin&reg;|lysuride"	"CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC"	"BKRGVLQUQGGVSM-KBXCAEBGSA-N"	"InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1"	""	""	""
"10444"	"LIT-001"	""	"Synthetic organic"	""	""	""	""	"385612204"	"145711714"	""	""	"CHEMBL4204210"	""	""	""	""	"(2S)-2-(dimethylcarbamothioyl)-N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]pyrrolidine-1-carboxamide"	""	"compound 57 [PMID: 30199637]|LIT001"	"Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C"	"AOPORIRPXVMWSL-DEOSSOPVSA-N"	"InChI=1S/C28H33N7O2S/c1-18-14-19(11-12-20(18)15-29-28(37)34-13-7-10-24(34)27(38)32(2)3)26(36)35-17-21-16-30-33(4)25(21)31-22-8-5-6-9-23(22)35/h5-6,8-9,11-12,14,16,24,31H,7,10,13,15,17H2,1-4H3,(H,29,37)/t24-/m0/s1"	""	""	""
"10075"	"LIT-927"	""	"Synthetic organic"	""	""	""	""	"375973262"	"137287575"	""	""	""	""	""	""	""	"4-(4-Chlorophenyl)-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-2(1H)-one"	""	"compound 57 [PMID: 30106292]"	"COc1cc(ccc1O)c1[nH]c(=O)nc(c1)c1ccc(cc1)Cl"	"BYYRNPIGDRRGLJ-UHFFFAOYSA-N"	"InChI=1S/C17H13ClN2O3/c1-23-16-8-11(4-7-15(16)21)14-9-13(19-17(22)20-14)10-2-5-12(18)6-3-10/h2-9,21H,1H3,(H,19,20,22)"	"yes"	""	""
"611"	"lithocholic acid"	""	"Metabolite"	""	""	""	""	"135651505"	"9903"	""	""	"CHEMBL1478"	""	""	""	""	"(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid"	""	"LCA|lithocholate"	"O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C"	"SMEROWZSTRWXGI-HVATVPOCSA-N"	"InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1"	""	""	""
"326"	"lithocholylcholine"	""	"Synthetic organic"	""	""	""	""	"135650527"	"22991950"	""	""	""	""	""	""	""	"[2-hydroxy-6-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptyl]-trimethylazanium"	""	""	"OC(C[N+](C)(C)C)CCCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)O)C"	"KWEWGNPMETZMTR-UHFFFAOYSA-N"	"InChI=1S/C29H54NO2/c1-20(8-7-9-23(32)19-30(4,5)6)25-12-13-26-24-11-10-21-18-22(31)14-16-28(21,2)27(24)15-17-29(25,26)3/h20-27,31-32H,7-19H2,1-6H3/q+1"	""	""	""
"11122"	"litifilimab"	""	"Antibody"	""	""	""	""	"434122182"	"0"	""	""	""	""	""	""	""	""	"litifilimab"	"BIIB-059|BIIB059"	""	""	""	"yes"	""	""
"617"	"litorin"	""	"Peptide"	""	""	""	""	"135652270"	"14235547"	"P08945"	""	""	""	""	""	""	""	""	"litorine"	""	""	""	""	""	""
"14333"	"LittleLEN"	"Mouse"	"Peptide"	""	""	""	""	"523352125"	"0"	""	""	""	""	""	""	""	""	""	"L-LEN|Little-LEN"	""	""	""	""	""	""
"9734"	"liver enriched antimicrobial peptide 2"	"Human"	"Peptide"	""	""	""	""	"354702210"	"0"	"Q969E1"	"ENSG00000164406"	""	""	""	""	""	""	""	"LEAP2"	""	""	""	"yes"	""	""
"11762"	"livmoniplimab"	""	"Antibody"	""	""	""	""	"458923797"	"0"	""	""	""	""	""	""	""	""	"livmoniplimab"	"39B6-AYE|ABBV-151|ARGX-115|ARGX115|MHG-8|MHGARP-8|PR-1762844"	""	""	""	""	""	""
"10884"	"livoletide"	""	"Peptide"	""	""	""	""	"405560325"	"57341282"	""	""	"CHEMBL2029605"	""	""	""	""	""	"livoletide"	"AZP-531|AZP531|Cyclo(des-acyl ghrelin(6-13))|Des-acyl ghrelin"	"OC[C@@H]1NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C1=O)CCC2)CCC(=O)O)Cc1cnc[nH]1)CCC(=O)N)C(C)C"	"JXPWLIYXIWGWSA-CLBRJLNISA-N"	"InChI=1S/C40H63N15O13/c1-19(2)31-38(67)51-23(8-11-29(42)58)34(63)53-26(17-56)39(68)55-14-4-6-27(55)37(66)50-24(9-12-30(59)60)33(62)52-25(15-20-16-45-18-47-20)36(65)49-22(7-10-28(41)57)32(61)48-21(35(64)54-31)5-3-13-46-40(43)44/h16,18-19,21-27,31,56H,3-15,17H2,1-2H3,(H2,41,57)(H2,42,58)(H,45,47)(H,48,61)(H,49,65)(H,50,66)(H,51,67)(H,52,62)(H,53,63)(H,54,64)(H,59,60)(H4,43,44,46)/t21-,22-,23-,24-,25-,26-,27-,31-/m0/s1"	""	""	""
"7387"	"lixisenatide"	""	"Peptide"	"yes"	""	""	""	"178103959"	"16139342"	""	""	"CHEMBL2108336"	""	""	""	""	""	"lixisenatide"	"Adlyxin&reg;|AVE-0010|Lyxumia&reg;"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CO)C)CO)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1[nH]cnc1)N)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CC(C)C)CO)CCCCN)CCC(=O)N)CCSC)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)CCCNC(=N)N)CC(C)C)Cc1ccccc1)CCC(=O)O)CC(C)C"	"XVVOERDUTLJJHN-IAEQDCLQSA-N"	"InChI=1S/C215H347N61O65S/c1-16-115(10)173(210(337)256-141(68-74-170(299)300)194(321)261-148(94-122-98-232-126-50-24-23-49-124(122)126)199(326)258-143(89-111(2)3)196(323)247-134(58-32-40-83-223)189(316)262-149(96-160(226)285)180(307)235-100-161(286)233-104-165(290)274-85-42-60-156(274)207(334)267-154(108-280)206(333)265-151(105-277)181(308)237-101-162(287)239-117(12)213(340)276-87-44-62-158(276)214(341)275-86-43-61-157(275)208(335)268-153(107-279)204(331)249-132(56-30-38-81-221)187(314)246-131(55-29-37-80-220)186(313)245-130(54-28-36-79-219)185(312)244-129(53-27-35-78-218)184(311)243-128(52-26-34-77-217)183(310)242-127(176(227)303)51-25-33-76-216)272-201(328)146(92-120-45-19-17-20-46-120)260-197(324)144(90-112(4)5)257-190(317)135(59-41-84-231-215(228)229)255-209(336)172(114(8)9)271-177(304)116(11)240-182(309)138(65-71-167(293)294)251-192(319)139(66-72-168(295)296)252-193(320)140(67-73-169(297)298)253-195(322)142(75-88-342-15)254-191(318)137(63-69-159(225)284)250-188(315)133(57-31-39-82-222)248-203(330)152(106-278)266-198(325)145(91-113(6)7)259-200(327)150(97-171(301)302)263-205(332)155(109-281)269-212(339)175(119(14)283)273-202(329)147(93-121-47-21-18-22-48-121)264-211(338)174(118(13)282)270-164(289)103-236-179(306)136(64-70-166(291)292)241-163(288)102-234-178(305)125(224)95-123-99-230-110-238-123/h17-24,45-50,98-99,110-119,125,127-158,172-175,232,277-283H,16,25-44,51-97,100-109,216-224H2,1-15H3,(H2,225,284)(H2,226,285)(H2,227,303)(H,230,238)(H,233,286)(H,234,305)(H,235,307)(H,236,306)(H,237,308)(H,239,287)(H,240,309)(H,241,288)(H,242,310)(H,243,311)(H,244,312)(H,245,313)(H,246,314)(H,247,323)(H,248,330)(H,249,331)(H,250,315)(H,251,319)(H,252,320)(H,253,322)(H,254,318)(H,255,336)(H,256,337)(H,257,317)(H,258,326)(H,259,327)(H,260,324)(H,261,321)(H,262,316)(H,263,332)(H,264,338)(H,265,333)(H,266,325)(H,267,334)(H,268,335)(H,269,339)(H,270,289)(H,271,304)(H,272,328)(H,273,329)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H4,228,229,231)/t115-,116-,117-,118+,119+,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,172-,173-,174-,175-/m0/s1"	""	""	""
"2238"	"lixivaptan"	""	"Synthetic organic"	""	""	""	""	"135650528"	"172997"	""	""	"CHEMBL49429"	""	""	""	""	"N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide"	"lixivaptan"	"VPA-985|VPA985|WAY-VPA-985"	"Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C"	"PPHTXRNHTVLQED-UHFFFAOYSA-N"	"InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)"	""	""	""
"12199"	"LIZA-7"	""	"Synthetic organic"	""	""	""	""	"472319319"	"451456"	""	""	"CHEMBL102425"	""	""	""	""	"1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione"	""	"5'-azido-5'-deoxy-thymidine"	"Cc1cn(c(=O)[nH]c1=O)[C@H]1C[C@@H]([C@H](O1)CN=[N+]=[N-])O"	"GKEHVJFBPNPCKI-XLPZGREQSA-N"	"InChI=1S/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m0/s1"	""	""	""
"12150"	"LJ-4517"	""	"Synthetic organic"	""	""	""	""	"472319272"	"164885960"	""	""	""	""	""	""	""	"(2R,3R,4R)-2-[6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol"	""	"compound 2 [PMID: 35977382]|LJ4517"	"O[C@H]1[C@@H](O)[C@H](n2c3nc(C#CCCCC)nc(N)c3nc2c2cccs2)OC1"	"MUHXGASCCALSAJ-PRIMNGNOSA-N"	"InChI=1S/C19H21N5O3S/c1-2-3-4-5-8-13-21-16(20)14-18(22-13)24(19-15(26)11(25)10-27-19)17(23-14)12-7-6-9-28-12/h6-7,9,11,15,19,25-26H,2-4,10H2,1H3,(H2,20,21,22)/t11-,15-,19-/m1/s1"	""	""	""
"544"	"LK 204-545"	""	"Synthetic organic"	""	""	""	""	"135650529"	"5311116"	""	""	"CHEMBL207802"	""	""	""	""	"1-[2-[[3-[2-cyano-4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(4-hydroxyphenyl)urea"	""	"LK-204,545|LK-204-545|LK-204545"	"N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O"	"VAWYRUMIUGPAEX-UHFFFAOYSA-N"	"InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)"	""	""	""
"13567"	"LK-980"	""	"Synthetic organic"	""	""	""	""	"504705386"	"24784658"	""	""	"CHEMBL3527165"	""	""	""	""	"2-[4-(2-phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol"	""	"LK980"	"OC(CN1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CN=C3"	"CTBNLHFXMNLQNE-UHFFFAOYSA-N"	"InChI=1S/C19H25N3O/c23-19(18-7-4-9-20-15-18)16-22-13-11-21(12-14-22)10-8-17-5-2-1-3-6-17/h1-7,9,15,19,23H,8,10-14,16H2"	""	""	""
"5527"	"LL-37"	"Human"	"Peptide"	""	""	""	""	"178102170"	"134611881"	"P49913"	"ENSG00000164047"	"CHEMBL530345"	""	""	""	""	""	""	"antibacterial protein LL-37|cathelicidin LL 37 (human)"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CCC(=O)O)[C@H](O)C)CCCN=C(N)N)C(C)C)CC(C)C)CC(=O)N)CCCN=C(N)N)CC(C)C)Cc1ccccc1)CC(=O)O)CCCCN)[C@H](CC)C)CCCN=C(N)N)CCC(=O)N)C(C)C)[C@H](CC)C)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CC(C)C)CC(=O)O)Cc1ccccc1)Cc1ccccc1)CCCN=C(N)N)CCCCN)CO)CCCCN)CCC(=O)O)CCCCN)CCCCN)CCC(=O)O)Cc1ccccc1"	"POIUWJQBRNEFGX-XAMSXPGMSA-N"	"InChI=1S/C205H340N60O53/c1-20-114(16)162(261-179(296)128(66-40-46-86-211)235-176(293)135(74-78-155(273)274)243-170(287)125(63-37-43-83-208)241-192(309)148(106-266)257-174(291)126(64-38-44-84-209)234-171(288)129(67-47-87-225-201(215)216)240-185(302)142(98-119-55-29-24-30-56-119)252-187(304)144(100-121-59-33-26-34-60-121)253-189(306)146(102-158(279)280)233-154(272)104-230-167(284)138(94-109(6)7)248-166(283)122(212)93-108(4)5)194(311)231-105-153(271)232-123(61-35-41-81-206)168(285)242-136(75-79-156(275)276)177(294)251-141(97-118-53-27-23-28-54-118)184(301)238-124(62-36-42-82-207)169(286)236-131(69-49-89-227-203(219)220)181(298)263-164(116(18)22-3)197(314)259-160(112(12)13)195(312)246-134(73-77-151(213)269)175(292)237-132(70-50-90-228-204(221)222)180(297)262-163(115(17)21-2)196(313)245-127(65-39-45-85-210)172(289)256-147(103-159(281)282)190(307)254-143(99-120-57-31-25-32-58-120)186(303)249-139(95-110(8)9)183(300)239-130(68-48-88-226-202(217)218)173(290)255-145(101-152(214)270)188(305)250-140(96-111(10)11)191(308)260-161(113(14)15)199(316)265-92-52-72-150(265)193(310)244-133(71-51-91-229-205(223)224)182(299)264-165(117(19)268)198(315)247-137(76-80-157(277)278)178(295)258-149(107-267)200(317)318/h23-34,53-60,108-117,122-150,160-165,266-268H,20-22,35-52,61-107,206-212H2,1-19H3,(H2,213,269)(H2,214,270)(H,230,284)(H,231,311)(H,232,271)(H,233,272)(H,234,288)(H,235,293)(H,236,286)(H,237,292)(H,238,301)(H,239,300)(H,240,302)(H,241,309)(H,242,285)(H,243,287)(H,244,310)(H,245,313)(H,246,312)(H,247,315)(H,248,283)(H,249,303)(H,250,305)(H,251,294)(H,252,304)(H,253,306)(H,254,307)(H,255,290)(H,256,289)(H,257,291)(H,258,295)(H,259,314)(H,260,308)(H,261,296)(H,262,297)(H,263,298)(H,264,299)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,317,318)(H4,215,216,225)(H4,217,218,226)(H4,219,220,227)(H4,221,222,228)(H4,223,224,229)/t114-,115-,116-,117+,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,160-,161-,162-,163-,164-,165-/m0/s1"	"yes"	""	"yes"
"2932"	"L-lactic acid"	""	"Metabolite"	""	""	""	""	"135651506"	"107689"	""	""	"CHEMBL330546"	""	""	""	""	"(2S)-2-hydroxypropanoic acid"	""	"(S)-lactate|(S)-lactic acid|L-lactate|lactate"	"OC(=O)[C@@H](O)C"	"JVTAAEKCZFNVCJ-REOHCLBHSA-N"	"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1"	""	""	""
"13380"	"LLC0424"	""	"Synthetic organic"	""	""	""	""	"496703350"	"171663346"	""	""	""	""	""	""	""	"N-Cyclopropyl-N-(4-((4-((1-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)piperidin-4-yl)carbamoyl)phenyl)carbamoyl)benzyl)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxamide"	""	"compound 10l [PMID: 38687638]|LLC-0424"	"C1(CC1)N(C(=O)C=2C=CC3=C(OCC(N3)=O)C2)CC4=CC=C(C=C4)C(NC5=CC=C(C=C5)C(NC6CCN(CC6)C=7C=C8C(N(C(C8=CC7)=O)C9C(NC(CC9)=O)=O)=O)=O)=O"	"OHRABUZLZFHHEJ-UHFFFAOYSA-N"	"InChI=1S/C45H41N7O9/c53-38-16-15-36(42(57)49-38)52-44(59)33-13-12-32(22-34(33)45(52)60)50-19-17-30(18-20-50)47-41(56)27-5-8-29(9-6-27)46-40(55)26-3-1-25(2-4-26)23-51(31-10-11-31)43(58)28-7-14-35-37(21-28)61-24-39(54)48-35/h1-9,12-14,21-22,30-31,36H,10-11,15-20,23-24H2,(H,46,55)(H,47,56)(H,48,54)(H,49,53,57)"	""	""	""
"3312"	"L-leucine"	""	"Metabolite"	""	""	""	""	"178100346"	"6106"	""	""	"CHEMBL291962"	""	""	""	""	"(2S)-2-amino-4-methylpentanoic acid"	"leucine"	"L-Leu"	"N[C@H](C(=O)O)CC(C)C"	"ROHFNLRQFUQHCH-YFKPBYRVSA-N"	"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1"	""	""	""
"4751"	"L-leucinol"	""	"Synthetic organic"	""	""	""	""	"178101461"	"111307"	""	""	""	""	""	""	""	"(2S)-2-amino-4-methylpentan-1-ol"	""	""	"OC[C@H](CC(C)C)N"	"VPSSPAXIFBTOHY-LURJTMIESA-N"	"InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1"	""	""	""
"12107"	"LL-K9-3"	""	"Synthetic organic"	""	""	""	""	"472319229"	"164946948"	""	""	""	""	""	""	""	"N-(5-(((5-(tert-Butyl)oxazol-2-yl)methyl)thio)thiazol-2-yl)-1-((2-(2-(((1R, 2S, 5R)-2-isopropyl-5-methylcyclohexyl)oxy) acetamido)ethyl)sulfonyl)piperidine-4-carboxamide"	""	""	"O=C(NCCS(=O)(=O)N1CCC(CC1)C(=O)Nc1ncc(s1)SCc1ncc(C(C)(C)C)o1)CO[C@H]1[C@H](C(C)C)CC[C@@H](C)C1"	"NPRIWHDFWDSJRZ-YFNKSVMNSA-N"	"InChI=1S/C31H49N5O6S3/c1-20(2)23-8-7-21(3)15-24(23)41-18-26(37)32-11-14-45(39,40)36-12-9-22(10-13-36)29(38)35-30-34-17-28(44-30)43-19-27-33-16-25(42-27)31(4,5)6/h16-17,20-24H,7-15,18-19H2,1-6H3,(H,32,37)(H,34,35,38)/t21-,23+,24-/m1/s1"	""	""	""
"12267"	"LLL12"	""	"Synthetic organic"	""	""	""	""	"473153855"	"46911017"	""	""	"CHEMBL2380760"	""	""	""	""	"5-hydroxy-9,10-dioxoanthracene-1-sulfonamide"	""	"LLL-12"	"c1cc2c(c(c1)O)C(=O)c1c(C2=O)c(ccc1)S(=O)(=O)N"	"CQBHSRLUQDYPBU-UHFFFAOYSA-N"	"InChI=1S/C14H9NO5S/c15-21(19,20)10-6-2-4-8-12(10)14(18)7-3-1-5-9(16)11(7)13(8)17/h1-6,16H,(H2,15,19,20)"	""	""	""
"13910"	"LLP019"	""	"Synthetic organic"	""	""	""	""	"513757595"	"175670504"	""	""	""	""	""	""	""	"N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-3-{2-[2-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)ethoxy]ethoxy}propanamide"	""	""	"CCOC1=CC2=C(C=C1NC(=O)CCOCCOCCNC(=O)COC3=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=CC=C3)C(NC6=CC=C(F)C(Cl)=C6)=C(C=N2)C#N"	"KIUYMPSIESOEAA-UHFFFAOYSA-N"	"InChI=1S/C40H37ClFN7O10/c1-2-58-32-18-28-25(37(22(19-43)20-45-28)46-23-6-7-27(42)26(41)16-23)17-29(32)47-34(51)10-12-56-14-15-57-13-11-44-35(52)21-59-31-5-3-4-24-36(31)40(55)49(39(24)54)30-8-9-33(50)48-38(30)53/h3-7,16-18,20,30H,2,8-15,21H2,1H3,(H,44,52)(H,45,46)(H,47,51)(H,48,50,53)"	""	""	""
"9527"	"LLY-283"	""	"Synthetic organic"	""	""	""	""	"336446913"	"122669401"	""	""	""	""	""	""	""	"(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-hydroxy(phenyl)methyl]oxolane-3,4-diol"	""	""	"O[C@@H]([C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc2c1ncnc2N)c1ccccc1"	"WWOOWAHTEXIWBO-QFRSUPTLSA-N"	"InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1"	""	""	""
"8239"	"LLY-507"	""	"Synthetic organic"	""	""	""	""	"249565919"	"91623361"	""	""	""	""	""	""	""	"3-cyano-5-(2-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}phenyl)-N-[3-(pyrrolidin-1-yl)propyl]benzamide"	""	""	"N#Cc1cc(cc(c1)c1ccccc1N1CCN(CC1)CCn1cc(c2c1cccc2)C)C(=O)NCCCN1CCCC1"	"PNYRDVBFYVDJJI-UHFFFAOYSA-N"	"InChI=1S/C36H42N6O/c1-28-27-42(34-11-4-2-9-32(28)34)22-19-40-17-20-41(21-18-40)35-12-5-3-10-33(35)30-23-29(26-37)24-31(25-30)36(43)38-13-8-16-39-14-6-7-15-39/h2-5,9-12,23-25,27H,6-8,13-22H2,1H3,(H,38,43)"	""	""	""
"724"	"L-lysine"	""	"Metabolite"	""	""	""	""	"135651507"	"5962"	""	""	"CHEMBL8085"	""	""	""	""	"(2S)-2,6-diaminohexanoic acid"	"lysine"	"L-Lys"	"NCCCC[C@@H](C(=O)O)N"	"KDXKERNSBIXSRK-YFKPBYRVSA-N"	"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1"	""	""	""
"9016"	"LM10"	""	"Synthetic organic"	""	""	""	""	"315661101"	"135743630"	""	""	"CHEMBL1812545"	""	""	""	""	"6-fluoro-3-[(E)-2-(1H-1,2,3,4-tetrazol-5-yl)ethenyl]-1H-indole"	""	"LM-10"	"Fc1ccc2c(c1)[nH]cc2/C=C/c1nnn[nH]1"	"JDBSZVDIUIRSDG-DAFODLJHSA-N"	"InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)/b4-1+"	"yes"	""	""
"13391"	"LM11A-31"	""	"Synthetic organic"	""	""	""	""	"496703361"	"18604758"	""	""	""	""	""	""	""	"(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide"	""	"LM-11A-31"	"CC[C@H](C)[C@@H](C(=O)NCCN1CCOCC1)N"	"YNMUTYLWSRFTPX-QWRGUYRKSA-N"	"InChI=1S/C12H25N3O2/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t10-,11-/m0/s1"	""	""	""
"4814"	"L-methionine"	""	"Metabolite"	""	""	""	""	"178101516"	"6137"	""	""	"CHEMBL42336"	""	""	""	""	"(2S)-2-amino-4-(methylsulfanyl)butanoic acid"	"methionine"	"L-Met"	"CSCC[C@@H](C(=O)O)N"	"FFEARJCKVFRZRR-BYPYZUCNSA-N"	"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1"	""	""	""
"5213"	"L-NAME"	""	"Synthetic organic"	""	""	""	""	"178101898"	"39836"	""	""	"CHEMBL7890"	""	""	""	""	"methyl (2S)-2-amino-5-(1-nitrocarbamimidamido)pentanoate"	""	""	"COC(=O)[C@H](CCCNC(=N)NN(=O)=O)N"	"KCWZGJVSDFYRIX-YFKPBYRVSA-N"	"InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1"	""	""	""
"8759"	"L-NNA"	""	"Synthetic organic"	""	""	""	""	"252827417"	"440005"	""	""	"CHEMBL227744"	""	""	""	""	""	""	"compound 2 [PMID: 9667974]|nitroarginine"	"[O-][N+](=O)NC(=NCCC[C@@H](C(=O)O)N)N"	"MRAUNPAHJZDYCK-BYPYZUCNSA-N"	"InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1"	""	""	""
"13498"	"lobeline"	""	"Natural product"	""	""	""	""	"500839908"	"101616"	""	""	"CHEMBL122270"	""	""	""	""	"2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone"	"lobeline"	"&alpha;-lobeline|(-)-lobeline"	"CN1[C@@H](CCC[C@@H]1CC(=O)C2=CC=CC=C2)C[C@@H](C3=CC=CC=C3)O"	"MXYUKLILVYORSK-HBMCJLEFSA-N"	"InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1"	""	""	""
"9743"	"lodoxamide"	""	"Synthetic organic"	"yes"	""	""	""	"354702216"	"44564"	""	""	"CHEMBL1201266"	""	""	""	""	"2-[[2-chloro-5-cyano-3-(oxaloamino)phenyl]amino]-2-oxoacetic acid"	"lodoxamide"	"Alomide&reg;"	"N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl"	"RVGLGHVJXCETIO-UHFFFAOYSA-N"	"InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)"	"yes"	""	""
"13539"	"lofentanil"	""	"Synthetic organic"	""	""	""	""	"500839949"	"65499"	""	""	""	""	""	""	""	"methyl (3S,4R)-3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate"	"lofentanil"	"R-32792"	"C[C@H]1CN(CC[C@@]1(C(=O)OC)N(C(CC)=O)C2=CC=CC=C2)CCC3=CC=CC=C3"	"IMYHGORQCPYVBZ-NBGIEHNGSA-N"	"InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m0/s1"	""	""	""
"7551"	"lofepramine"	""	"Synthetic organic"	"yes"	"yes"	""	""	"223365887"	"3947"	""	""	"CHEMBL87708"	""	""	""	""	"1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone"	"lofepramine"	"Gamanil &reg;|Lomont &reg;|WHR-2908A"	"CN(CC(=O)c1ccc(cc1)Cl)CCCN1c2ccccc2CCc2c1cccc2"	"SAPNXPWPAUFAJU-UHFFFAOYSA-N"	"InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3"	""	""	""
"9868"	"lofexidine"	""	"Synthetic organic"	"yes"	""	""	""	"363894162"	"30668"	""	""	"CHEMBL17860"	""	""	""	""	"2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole"	"lofexidine"	"BritLofex&reg;|Lucemyra&reg;"	"CC(C1=NCCN1)Oc1c(Cl)cccc1Cl"	"KSMAGQUYOIHWFS-UHFFFAOYSA-N"	"InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)"	""	""	""
"13410"	"lolamicin"	""	"Synthetic organic"	""	""	""	""	"496703380"	"168894634"	""	""	""	""	""	""	""	"3-[[3-[4-(2,6-dimethylpyridin-4-yl)-1H-pyrazol-5-yl]phenoxy]methyl]benzonitrile"	""	""	"CC1=CC(=CC(=N1)C)C2=C(NN=C2)C3=CC(=CC=C3)OCC4=CC(=CC=C4)C#N"	"CIXIQLLJOWEAKU-UHFFFAOYSA-N"	"InChI=1S/C24H20N4O/c1-16-9-21(10-17(2)27-16)23-14-26-28-24(23)20-7-4-8-22(12-20)29-15-19-6-3-5-18(11-19)13-25/h3-12,14H,15H2,1-2H3,(H,26,28)"	""	""	"yes"
"13210"	"lomedeucitinib"	""	"Synthetic organic"	""	""	""	""	"491299992"	"138620496"	""	""	""	""	""	""	""	"4-[(3-methylsulfonylpyridin-2-yl)amino]-6-[[(2R)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide"	"lomedeucitinib"	"BMS-986322|BMS986322|example 252 [US20210253554]"	"CS(=O)(=O)C=1C(=NC=CC1)NC2=C(N=NC(=C2)NC(=O)[C@@H]3CC34CC4)C(=O)NC([2H])([2H])[2H]"	"VWIVBQZLVAGLMH-ASGODXDTSA-N"	"InChI=1S/C18H20N6O4S/c1-19-17(26)14-11(21-15-12(29(2,27)28)4-3-7-20-15)8-13(23-24-14)22-16(25)10-9-18(10)5-6-18/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,19,26)(H2,20,21,22,23,25)/t10-/m0/s1/i1D3"	"yes"	""	""
"12407"	"lomefloxacin"	""	"Synthetic organic"	"yes"	""	""	""	"479821198"	"3948"	""	""	"CHEMBL561"	""	""	""	""	"1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid"	"lomefloxacin"	"Maxaquin&reg;|NY-198|SC-47111|Uniquin&reg;"	"CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O"	"ZEKZLJVOYLTDKK-UHFFFAOYSA-N"	"InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)"	""	""	"yes"
"7439"	"lomitapide"	""	"Synthetic organic"	"yes"	""	""	""	"178104011"	"9853053"	""	""	"CHEMBL354541"	""	""	""	""	"N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide"	"lomitapide"	"AEGR-733|BMS-201038|Juxtapid&reg;|Lojuxta&reg;"	"O=C(c1ccccc1c1ccc(cc1)C(F)(F)F)NC1CCN(CC1)CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2c2c1cccc2"	"MBBCVAKAJPKAKM-UHFFFAOYSA-N"	"InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)"	""	""	""
"13750"	"lomonitinib"	""	"Synthetic organic"	""	""	""	""	"507750383"	"171775678"	""	""	""	""	""	""	""	"3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,3-c]quinoline"	"lomonitinib"	"ZE46-0134"	"COC=1C=C(C=CC1OC)C2=NN(C3=C2C=NC=4C=CC=CC34)C5=CC=C6CCNCC6=C5"	"AAIAGDXMETYTJE-UHFFFAOYSA-N"	"InChI=1S/C27H24N4O2/c1-32-24-10-8-18(14-25(24)33-2)26-22-16-29-23-6-4-3-5-21(23)27(22)31(30-26)20-9-7-17-11-12-28-15-19(17)13-20/h3-10,13-14,16,28H,11-12,15H2,1-2H3"	""	""	""
"7214"	"lomustine"	""	"Synthetic organic"	"yes"	""	""	""	"178103789"	"3950"	""	""	"CHEMBL514"	""	""	""	""	"2-chloro-N-(cyclohexyl-C-hydroxycarbonimidoyl)-N-nitrosoethan-1-amine"	"lomustine"	"CCNU|CeeNU&reg;"	"ClCCN(C(=NC1CCCCC1)O)N=O"	"GQYIWUVLTXOXAJ-UHFFFAOYSA-N"	"InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)"	""	""	""
"8024"	"lonafarnib"	""	"Synthetic organic"	"yes"	""	""	""	"249565704"	"148195"	""	""	"CHEMBL298734"	""	""	""	""	"4-[2-[4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide"	"lonafarnib"	"SCH 66336|SCH-66336|SCH66336|Zokinvy&reg;"	"Clc1cc(Br)c2c(c1)CCc1c([C@@H]2C2CCN(CC2)C(=O)CC2CCN(CC2)C(=O)N)ncc(c1)Br"	"DHMTURDWPRKSOA-RUZDIDTESA-N"	"InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1"	""	""	""
"11521"	"loncastuximab tesirine"	""	"Antibody"	"yes"	""	""	""	"441604893"	"0"	""	""	""	""	""	""	""	""	"loncastuximab tesirine"	"ADCT-402|ADCT402|loncastuximab tesirine-lpyl|RB4v1.2-SG-3249|Zynlonta&reg;"	""	""	""	""	""	""
"11716"	"londamocitinib"	""	"Synthetic organic"	""	""	""	""	"458923751"	"135240395"	""	""	"CHEMBL4447181"	""	""	""	""	"(2R)-N-[3-[5-fluoro-2-(2-fluoro-3-methylsulfonylanilino)pyrimidin-4-yl]-1H-indol-7-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide"	""	"AZD-4604|AZD4604|example 35 [WO2018134213A1]|Jak1-IN-7"	"COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c1[nH]cc2c1c(F)cnc(Nc2c(F)c(ccc2)S(=O)(=O)C)n1"	"JNUZADQZHYFJGW-JOCHJYFZSA-N"	"InChI=1S/C28H31F2N7O4S/c1-36-10-12-37(13-11-36)22(16-41-2)27(38)33-21-8-4-6-17-18(14-31-26(17)21)25-19(29)15-32-28(35-25)34-20-7-5-9-23(24(20)30)42(3,39)40/h4-9,14-15,22,31H,10-13,16H2,1-3H3,(H,33,38)(H,32,34,35)/t22-/m1/s1"	"yes"	""	""
"12601"	"lonidamine"	""	"Synthetic organic"	""	""	""	""	"479821391"	"39562"	""	""	"CHEMBL1257030"	""	""	""	""	"1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid"	"lonidamine"	"AF 1890|AF-1890|Diclondazolic acid"	"C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O"	"WDRYRZXSPDWGEB-UHFFFAOYSA-N"	"InChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)"	""	""	""
"11275"	"lonodelestat"	""	"Synthetic organic"	""	""	""	""	"434321710"	"71532754"	""	""	""	""	""	""	""	""	"lonodelestat"	"cyclo[Ala-Ser-Ile-Pro-Pro-Gln-Lys-Tyr-D-Pro-Pro-Nle(Bu)-Glu-Thr]|POL-6014|POL6014"	"NCCCC[C@@H]1NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H]3N(C(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)CCC3)CCC2)CCCCCCCC)CCC(=O)O)[C@H](O)C)[C@H](CC)C"	"JMWYNUHGKFJVIB-QGFXQWJDSA-N"	"InChI=1S/C71H111N15O19/c1-6-8-9-10-11-12-19-46-60(94)76-48(30-32-56(91)92)63(97)82-58(42(5)88)67(101)74-41(4)59(93)80-50(39-87)64(98)81-57(40(3)7-2)71(105)86-37-18-24-54(86)70(104)84-35-16-22-52(84)66(100)78-47(29-31-55(73)90)62(96)75-45(20-13-14-33-72)61(95)79-49(38-43-25-27-44(89)28-26-43)68(102)85-36-17-23-53(85)69(103)83-34-15-21-51(83)65(99)77-46/h25-28,40-42,45-54,57-58,87-89H,6-24,29-39,72H2,1-5H3,(H2,73,90)(H,74,101)(H,75,96)(H,76,94)(H,77,99)(H,78,100)(H,79,95)(H,80,93)(H,81,98)(H,82,97)(H,91,92)/t40-,41-,42+,45-,46-,47-,48-,49-,50-,51-,52-,53+,54-,57-,58-/m0/s1"	"yes"	""	""
"7215"	"loperamide"	""	"Synthetic organic"	"yes"	""	""	""	"178103790"	"3955"	""	""	"CHEMBL841"	""	""	""	""	"4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide"	"loperamide"	"Fortasec&reg;|Imodium&reg;|R-18553"	"Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1"	"RDOIQAHITMMDAJ-UHFFFAOYSA-N"	"InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3"	""	""	""
"11504"	"lopinavir"	""	"Synthetic organic"	"yes"	""	""	""	"441604876"	"92727"	""	""	"CHEMBL729"	""	""	""	""	"(2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide"	"lopinavir"	"A-157378-0|A-1573780|ABT-378|ABT378|Aluviran&reg;|Kaletra&reg; (LPV+RTV)"	"O=C(N[C@H]([C@H](C[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCCNC1=O)C(C)C)O)Cc1ccccc1)COc1c(C)cccc1C"	"KJHKTHWMRKYKJE-SUGCFTRWSA-N"	"InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1"	""	""	""
"12247"	"loracarbef"	""	"Synthetic organic"	"yes"	""	""	""	"473153835"	"5284585"	""	""	"CHEMBL1013"	""	""	""	""	"(6R,7S)-7-[(2R)-2-amino-2-phenylacetamido]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	"loracarbef"	"KT-3777|Lorabid&reg;|LY163892"	"C1CC(=C(N2[C@H]1[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)N)C(=O)O)Cl"	"JAPHQRWPEGVNBT-UTUOFQBUSA-N"	"InChI=1S/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/t10-,11-,12+/m1/s1"	""	""	"yes"
"7216"	"loratadine"	""	"Synthetic organic"	"yes"	""	""	""	"178103791"	"3957"	""	""	"CHEMBL998"	""	""	""	""	"ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate"	"loratadine"	"Claritin&reg;|SCH-29851"	"CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1"	"JCCNYMKQOSZNPW-UHFFFAOYSA-N"	"InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3"	"yes"	""	""
"5884"	"lorazepam"	""	"Synthetic organic"	"yes"	""	""	""	"178102508"	"3958"	""	""	"CHEMBL580"	""	""	""	""	"7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one"	"lorazepam"	"Ativan&reg;|Orfidal&reg;"	"Clc1ccc2c(c1)C(=NC(C(=O)N2)O)c1ccccc1Cl"	"DIWRORZWFLOCLC-UHFFFAOYSA-N"	"InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)"	""	""	""
"2941"	"lorcaserin"	""	"Synthetic organic"	"yes"	"yes"	""	""	"135650530"	"11658860"	""	""	"CHEMBL360328"	""	""	""	""	"(1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine"	"lorcaserin"	"APD-356|Belviq&reg;"	"Clc1ccc2c(c1)[C@@H](C)CNCC2"	"XTTZERNUQAFMOF-QMMMGPOBSA-N"	"InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1"	""	""	""
"9620"	"lorecivivint"	""	"Synthetic organic"	""	""	""	""	"340590250"	"135565709"	""	""	""	""	""	""	""	"N-(5-{3-[7-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl}pyridin-3-yl)-3-methylbutanamide"	"lorecivivint"	"adavivint (deprecated INN)|SM0-4690|SM04690"	"CC(CC(=O)Nc1cncc(c1)c1ccc2c(c1)c(n[nH]2)c1nc2c([nH]1)c(cnc2)c1cccc(c1)F)C"	"AQDWDWAYVBQMAM-UHFFFAOYSA-N"	"InChI=1S/C29H24FN7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)"	"yes"	""	""
"5466"	"loreclezole"	""	"Synthetic organic"	""	""	""	""	"178102116"	"3034012"	""	""	"CHEMBL1397886"	""	""	""	""	"1-[(Z)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1H-1,2,4-triazole"	"loreclezole"	"R 72063"	"Clc1ccc(c(c1)Cl)/C(=C/n1cncn1)/Cl"	"XGLHZTBDUXXHOM-WMZJFQQLSA-N"	"InChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H/b10-4-"	""	""	""
"891"	"lorglumide"	""	"Synthetic organic"	""	""	""	""	"135650531"	"3960"	""	""	"CHEMBL24938"	""	""	""	""	"4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxopentanoic acid"	"lorglumide"	"CR-1409"	"CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC"	"IEKOTSCYBBDIJC-UHFFFAOYSA-N"	"InChI=1S/C22H32Cl2N2O4/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28)"	""	""	""
"14407"	"lorigerlimab"	""	"Antibody"	""	""	""	""	"523352199"	"0"	""	""	""	""	""	""	""	""	"lorigerlimab"	"MGD-019|MGD019"	""	""	""	"yes"	""	""
"7476"	"lorlatinib"	""	"Synthetic organic"	"yes"	""	""	""	"187051779"	"71731823"	""	""	"CHEMBL3286830"	""	""	""	""	""	"lorlatinib"	"(10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-4,8-methenopyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile|Lorbrena&reg;|Lorviqua&reg;|PF-06463922|PF06463922"	"N#Cc1n(C)nc2c1c1cnc(c(c1)O[C@H](C)c1c(C(=O)N(C2)C)ccc(c1)F)N"	"IIXWYSCJSQVBQM-LLVKDONJSA-N"	"InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1"	""	""	""
"7553"	"lormetazepam"	""	"Synthetic organic"	"yes"	""	""	""	"223365889"	"13314"	""	""	"CHEMBL22097"	""	""	""	""	"7-chloro-5-(2-chlorophenyl)-3-hydroxy-1-methyl-3H-1,4-benzodiazepin-2-one"	"lormetazepam"	"chlorotemazepam|Dormagen&reg;|methyllorazepam|WY-4082"	"Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c1ccccc1Cl"	"FJIKWRGCXUCUIG-UHFFFAOYSA-N"	"InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3"	""	""	""
"725"	"L-ornithine"	""	"Metabolite"	""	""	""	""	"135651508"	"6262"	""	""	"CHEMBL446143"	""	""	""	""	"(2S)-2,5-diaminopentanoic acid"	"ornithine"	""	"N[C@H](C(=O)O)CCCN"	"AHLPHDHHMVZTML-BYPYZUCNSA-N"	"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1"	""	""	""
"10631"	"lorpucitinib"	""	"Synthetic organic"	""	""	""	""	"404859078"	"134611548"	""	""	""	""	""	""	""	"2-{1-[trans-4-(cyanomethyl)cyclohexyl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}-N-(2-hydroxy-2-methylpropyl)acetamide"	"lorpucitinib"	"compound 2 [PMID: 32134643]|example 1 [WO2018112379A1]|JNJ-64251330|JNJ64251330"	"N#CC[C@@H]1CC[C@H](CC1)n1c(CC(=O)NCC(O)(C)C)nc2c1c1cc[nH]c1nc2"	"NJKMSBSVJSQUBU-SHTZXODSSA-N"	"InChI=1S/C22H28N6O2/c1-22(2,30)13-26-19(29)11-18-27-17-12-25-21-16(8-10-24-21)20(17)28(18)15-5-3-14(4-6-15)7-9-23/h8,10,12,14-15,30H,3-7,11,13H2,1-2H3,(H,24,25)(H,26,29)/t14-,15-"	""	""	""
"13883"	"lorundrostat"	""	"Synthetic organic"	""	""	""	""	"513757568"	"126567187"	""	""	"CHEMBL5095105"	""	""	""	""	"N-(4-acetamidocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide"	"lorundrostat"	"MT-4129|MT4129"	"CC(N[C@H]1CC[C@@H](CC1)NC(CN2CCN(CC2)C3=NN=CC(C4=CC=C(C=C4)C)=N3)=O)=O"	"YHGVDZULVMINCJ-MEMLXQNLSA-N"	"InChI=1S/C24H33N7O2/c1-17-3-5-19(6-4-17)22-15-25-29-24(28-22)31-13-11-30(12-14-31)16-23(33)27-21-9-7-20(8-10-21)26-18(2)32/h3-6,15,20-21H,7-14,16H2,1-2H3,(H,26,32)(H,27,33)/t20-,21-"	""	""	""
"7431"	"lorvotuzumab mertansine"	""	"Antibody"	""	""	""	""	"178104003"	"0"	""	""	""	""	""	""	""	""	"lorvotuzumab mertansine"	"BB-10901|IMGN901"	""	""	""	""	""	""
"590"	"losartan"	""	"Synthetic organic"	"yes"	""	""	""	"135650532"	"3961"	""	""	"CHEMBL191"	""	""	""	""	"[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol"	"losartan"	"allisartan|Cozaar&reg;|DuP 753|MK-954"	"CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl"	"PSIFNNKUMBGKDQ-UHFFFAOYSA-N"	"InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)"	""	""	""
"7835"	"losmapimod"	""	"Synthetic organic"	""	""	""	""	"223366166"	"11552706"	""	""	"CHEMBL1088752"	""	""	""	""	"6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide"	"losmapimod"	"GS856553|GW856553"	"O=C(c1ccc(nc1)c1cc(cc(c1C)F)C(=O)NC1CC1)NCC(C)(C)C"	"KKYABQBFGDZVNQ-UHFFFAOYSA-N"	"InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)"	"yes"	""	""
"14618"	"losudesivir"	""	"Synthetic organic"	""	""	""	""	"530846866"	"162513663"	""	""	""	""	""	""	""	"[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methyl cyclohexanecarboxylate"	"losudesivir"	""	"C1CCC(CC1)C(=O)OC[C@@H]2[C@H]([C@H]([C@](O2)(C#N)C3=CC=C4N3N=CN=C4N)O)O"	"NJZZWWHRMAGFGB-ZIGSKRJUSA-N"	"InChI=1S/C19H23N5O5/c20-9-19(14-7-6-12-17(21)22-10-23-24(12)14)16(26)15(25)13(29-19)8-28-18(27)11-4-2-1-3-5-11/h6-7,10-11,13,15-16,25-26H,1-5,8H2,(H2,21,22,23)/t13-,15-,16-,19+/m1/s1"	""	""	""
"7085"	"loteprednol etabonate"	""	"Metabolite"	"yes"	""	""	""	"178103663"	"444025"	""	""	"CHEMBL1200865"	""	""	""	""	"chloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate"	"loteprednol"	"HGP-1|Inveltys&reg;|Lotemax&reg;|P-5604"	"ClCOC(=O)[C@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)OC(=O)OCC"	"DMKSVUSAATWOCU-HROMYWEYSA-N"	"InChI=1S/C24H31ClO7/c1-4-30-21(29)32-24(20(28)31-13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)19(16)18(27)12-23(17,24)3/h7,9,11,16-19,27H,4-6,8,10,12-13H2,1-3H3/t16-,17-,18-,19+,22-,23-,24-/m0/s1"	"yes"	""	""
"14092"	"lotiglipron"	""	"Synthetic organic"	""	""	""	""	"518520719"	"146609022"	""	""	"CHEMBL5314631"	""	""	""	""	"2-[[4-[(2S)-2-(5-chloropyridin-2-yl)-2-methyl-1,3-benzodioxol-4-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid"	"lotiglipron"	"example 10 [US10676465]|PF-07081532|PF07081532"	"C[C@@]1(OC2=CC=CC(=C2O1)C3CCN(CC3)CC4=NC5=C(N4C[C@@H]6CCO6)C=C(C=C5)C(=O)O)C7=NC=C(C=C7)Cl"	"SVPYZAJTWFQTSM-UGDMGKLASA-N"	"InChI=1S/C31H31ClN4O5/c1-31(27-8-6-21(32)16-33-27)40-26-4-2-3-23(29(26)41-31)19-9-12-35(13-10-19)18-28-34-24-7-5-20(30(37)38)15-25(24)36(28)17-22-11-14-39-22/h2-8,15-16,19,22H,9-14,17-18H2,1H3,(H,37,38)/t22-,31-/m0/s1"	""	""	""
"13446"	"loureirin A"	""	"Natural product"	""	""	""	""	"500839856"	"5319081"	""	""	"CHEMBL253779"	""	""	""	""	"3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one"	""	""	"COC1=CC(=C(C=C1)CCC(=O)C2=CC=C(C=C2)O)OC"	"RSAIVLRELNGZEY-UHFFFAOYSA-N"	"InChI=1S/C17H18O4/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-5,7-9,11,18H,6,10H2,1-2H3"	""	""	"yes"
"2739"	"lovastatin"	""	"Natural product"	"yes"	""	""	""	"135652701"	"53232"	""	""	"CHEMBL503"	""	""	""	""	"[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate"	"lovastatin"	"(+)-mevinolin|6&alpha;-methylcompactin|Mevacor&reg;"	"CC[C@@H](C(=O)O[C@H]1C[C@@H](C)C=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)C"	"PCZOHLXUXFIOCF-BXMDZJJMSA-N"	"InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1"	"yes"	""	""
"5320"	"low-density lipoprotein receptor-related protein 4"	"Human"	"Peptide"	""	""	""	""	"53801013"	"0"	"O75096"	"ENSG00000134569"	""	""	""	""	""	""	""	"LRP-4|LRP4|multiple epidermal growth factor-like domains 7"	""	""	""	""	""	""
"205"	"loxapine"	""	"Synthetic organic"	"yes"	""	""	""	"135650533"	"3964"	""	""	"CHEMBL831"	""	""	""	""	"8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,5]benzoxazepine"	"loxapine"	"Adasuve&reg;|CL-62362|CL-71563|Loxapac&reg;|Loxitane&reg;|SUM-3170"	"CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2"	"XJGVXQDUIWGIRW-UHFFFAOYSA-N"	"InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3"	""	""	""
"892"	"loxiglumide"	""	"Synthetic organic"	""	""	""	""	"135650534"	"60182"	""	""	"CHEMBL206025"	""	""	""	""	"4-[(3,4-dichlorobenzoyl)amino]-5-(3-methoxypropyl-pentylamino)-5-oxopentanoic acid"	"loxiglumide"	"CR-1505"	"CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC"	"QNQZBKQEIFTHFZ-UHFFFAOYSA-N"	"InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)"	""	""	""
"5018"	"loxoribine"	""	"Synthetic organic"	""	""	""	""	"178101715"	"135410906"	""	""	"CHEMBL292008"	""	""	""	""	"2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(prop-2-en-1-yl)-6,7,8,9-tetrahydro-3H-purine-6,8-dione"	"loxoribine"	"7-allyl-7,8-dihydro-8-oxo-guanosine"	"C=CCn1c(=O)n(c2c1c(=O)nc([nH]2)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO"	"VDCRFBBZFHHYGT-IOSLPCCCSA-N"	"InChI=1S/C13H17N5O6/c1-2-3-17-6-9(15-12(14)16-10(6)22)18(13(17)23)11-8(21)7(20)5(4-19)24-11/h2,5,7-8,11,19-21H,1,3-4H2,(H3,14,15,16,22)/t5-,7-,8-,11-/m1/s1"	""	""	""
"8434"	"LP-12"	""	"Synthetic organic"	""	""	""	""	"252166644"	"23643664"	""	""	"CHEMBL243954"	""	""	""	""	"6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide"	""	"compound 21 [PMID 17649988]"	"O=C(NC1CCCc2c1cccc2)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1"	"NMZIDFFHGCRAJV-UHFFFAOYSA-N"	"InChI=1S/C32H39N3O/c36-32(33-30-18-11-15-26-14-6-7-16-28(26)30)20-5-2-10-21-34-22-24-35(25-23-34)31-19-9-8-17-29(31)27-12-3-1-4-13-27/h1,3-4,6-9,12-14,16-17,19,30H,2,5,10-11,15,18,20-25H2,(H,33,36)"	""	""	""
"8436"	"LP-211"	""	"Synthetic organic"	""	""	""	""	"252166646"	"25107716"	""	""	"CHEMBL522691"	""	""	""	""	"N-[(4-cyanophenyl)methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide"	""	"compound 25 [PMID 18800769]"	"N#Cc1ccc(cc1)CNC(=O)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1"	"BQEDZLDNNBDKDS-UHFFFAOYSA-N"	"InChI=1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)"	""	""	""
"8773"	"LP-360924"	""	"Synthetic organic"	""	""	""	""	"252827431"	"91938092"	""	""	""	""	""	""	""	"6-methoxy-N2-(3-methoxypropyl)-N4-{4-phenyl-5-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl}-1,3,5-triazine-2,4-diamine"	""	""	"COCCCNc1nc(Nc2nc(c(s2)C(=O)N2CCN(CC2)c2ncccn2)c2ccccc2)nc(n1)OC"	"OIRCJRUZRVLDFA-UHFFFAOYSA-N"	"InChI=1S/C26H30N10O3S/c1-38-17-7-12-27-22-31-23(33-25(32-22)39-2)34-26-30-19(18-8-4-3-5-9-18)20(40-26)21(37)35-13-15-36(16-14-35)24-28-10-6-11-29-24/h3-6,8-11H,7,12-17H2,1-2H3,(H2,27,30,31,32,33,34)"	""	""	""
"4576"	"LP-403812"	""	"Synthetic organic"	""	""	""	""	"178101297"	"59001466"	""	""	""	""	""	""	""	"N-{1-tert-butyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl}-4-methylbenzamide"	""	"LP 403812|LP403812"	"Cc1ccc(cc1)C(=O)Nc1sc2c(n1)n(nc2C(=O)N1CCC[C@H]1CN1CCCC1)C(C)(C)C"	"GJBQMIZKUFMWPV-IBGZPJMESA-N"	"InChI=1S/C26H34N6O2S/c1-17-9-11-18(12-10-17)23(33)28-25-27-22-21(35-25)20(29-32(22)26(2,3)4)24(34)31-15-7-8-19(31)16-30-13-5-6-14-30/h9-12,19H,5-8,13-16H2,1-4H3,(H,27,28,33)/t19-/m0/s1"	""	""	""
"8435"	"LP-44"	""	"Synthetic organic"	""	""	""	""	"252166645"	"11224758"	""	""	"CHEMBL225284"	""	""	""	""	"6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide"	""	"compound 5 [PMID 17649988]"	"CSc1ccccc1N1CCN(CC1)CCCCCC(=O)NC1CCCc2c1cccc2"	"JNBBJUHCODFLEG-UHFFFAOYSA-N"	"InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)"	""	""	""
"8774"	"LP-471756"	""	"Synthetic organic"	""	""	""	""	"252827432"	"789353"	""	""	""	""	""	""	""	"4-cyclohexyl-N-(2-methylphenyl)benzenesulfonamide"	""	""	"Cc1ccccc1NS(=O)(=O)c1ccc(cc1)C1CCCCC1"	"STLMNZVBCJVQOZ-UHFFFAOYSA-N"	"InChI=1S/C19H23NO2S/c1-15-7-5-6-10-19(15)20-23(21,22)18-13-11-17(12-14-18)16-8-3-2-4-9-16/h5-7,10-14,16,20H,2-4,8-9H2,1H3"	""	""	""
"11405"	"LP533401"	""	"Synthetic organic"	""	""	""	""	"440816774"	"44560455"	""	""	"CHEMBL511275"	""	""	""	""	"(2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoic acid"	""	"LP-533401"	"Nc1nc(cc(n1)c1ccc(cc1)C[C@@H](C(=O)O)N)OC(C(F)(F)F)c1ccc(cc1)c1cccc(c1)F"	"JZWUKILTKYJLCN-XEGCMXMBSA-N"	"InChI=1S/C27H22F4N4O3/c28-20-3-1-2-19(13-20)16-8-10-18(11-9-16)24(27(29,30)31)38-23-14-22(34-26(33)35-23)17-6-4-15(5-7-17)12-21(32)25(36)37/h1-11,13-14,21,24H,12,32H2,(H,36,37)(H2,33,34,35)/t21-,24?/m0/s1"	""	""	""
"8572"	"LP99"	""	"Synthetic organic"	""	""	""	""	"252166773"	"91827372"	""	""	""	""	""	""	""	"N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide"	""	"compound 60 [PMID: 25864491]"	"Clc1ccc(cc1)[C@@H]1[C@H](CCC(=O)N1c1ccc2c(c1)n(C)c(=O)cc2C)NS(=O)(=O)CC(C)C"	"LVDRREOUMKACNJ-BKMJKUGQSA-N"	"InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1"	""	""	""
"2906"	"LPA"	""	"Metabolite"	""	""	""	""	"135651509"	"5497152"	""	""	""	""	""	""	""	"(2-hydroxy-3-phosphonooxypropyl) (Z)-octadec-9-enoate"	""	"1-oleoyl-LPA|lysophosphatidic acid"	"CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)O"	"WRGQSWVCFNIUNZ-KTKRTIGZSA-N"	"InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-"	""	""	""
"13824"	"LPC-233"	""	"Synthetic organic"	""	""	""	""	"507750457"	"132060142"	""	""	""	""	""	""	""	"4-(4-cyclopropylbuta-1,3-diynyl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide"	""	""	"C[C@]([C@@H](C(=O)NO)NC(=O)C1=CC=C(C=C1)C#CC#CC2CC2)(C(F)F)O"	"NPTNDHDCCLLFJE-BEFAXECRSA-N"	"InChI=1S/C19H18F2N2O4/c1-19(26,18(20)21)15(17(25)23-27)22-16(24)14-10-8-13(9-11-14)5-3-2-4-12-6-7-12/h8-12,15,18,26-27H,6-7H2,1H3,(H,22,24)(H,23,25)/t15-,19+/m1/s1"	""	""	"yes"
"3313"	"L-phenylalanine"	""	"Metabolite"	""	""	""	""	"178100347"	"6140"	""	""	"CHEMBL301523"	""	""	""	""	"(2S)-2-amino-3-phenylpropanoic acid"	"phenylalanine"	"L-Phe"	"N[C@H](C(=O)O)Cc1ccccc1"	"COLNVLDHVKWLRT-QMMMGPOBSA-N"	"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1"	""	""	""
"4752"	"L-phenylalaninol"	""	"Synthetic organic"	""	""	""	""	"178101462"	"447213"	""	""	"CHEMBL1235287"	""	""	""	""	"(2S)-2-amino-3-phenylpropan-1-ol"	""	""	"OC[C@H](Cc1ccccc1)N"	"STVVMTBJNDTZBF-VIFPVBQESA-N"	"InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1"	""	""	""
"12435"	"L-Phe-Phe-Phe"	""	"Peptide"	""	""	""	""	"479821225"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"13958"	"Lpi-1"	""	"Synthetic organic"	""	""	""	""	"513757643"	"146637574"	""	""	""	""	""	""	""	"N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)furan-3-carboxamide"	""	"compound II-b-2 [US20200172521A1]"	"O=C(NCC1=C(F)C=CC=C1Cl)C2=COC(C3=CNC4=NC=CC=C43)=C2"	"FBNFYBGDGNODHW-UHFFFAOYSA-N"	"InChI=1S/C19H13ClFN3O2/c20-15-4-1-5-16(21)14(15)9-24-19(25)11-7-17(26-10-11)13-8-23-18-12(13)3-2-6-22-18/h1-8,10H,9H2,(H,22,23)(H,24,25)"	""	""	""
"3314"	"L-proline"	""	"Metabolite"	""	""	""	""	"178100348"	"145742"	""	""	"CHEMBL54922"	""	""	""	""	"(2S)-pyrrolidine-2-carboxylic acid"	"proline"	"L-Pro"	"OC(=O)[C@@H]1CCCN1"	"ONIBWKKTOPOVIA-BYPYZUCNSA-N"	"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1"	""	""	""
"5019"	"LPS"	""	"Natural product"	""	""	""	""	"178101716"	"0"	""	""	""	""	""	""	""	""	""	"lipopolysaccharide derived from Gram-negative bacteria"	""	""	""	""	""	""
"14093"	"LPS2336"	""	"Synthetic organic"	""	""	""	""	"518520720"	"10680164"	""	""	""	""	""	""	""	"2-(4-benzylpiperidin-1-yl)acetonitrile"	""	"LPS-2336"	"N#CCN1CCC(CC2=CC=CC=C2)CC1"	"SHAVSWMWBQLOQB-UHFFFAOYSA-N"	"InChI=1S/C14H18N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-7,9-12H2"	""	""	""
"14044"	"Lqh Tx 15-1"	""	"Peptide"	""	""	""	""	"518520671"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10023"	"LRE1"	""	"Synthetic organic"	""	""	""	""	"381744887"	"47279808"	""	""	""	""	""	""	""	"6-chloro-N4-cyclopropyl-N4-(2-thienylmethyl)-2,4-pyrimidinediamine"	""	"RU-0204277"	"Clc1cc(nc(n1)N)N(C1CC1)Cc1cccs1"	"PDWZXKSZLRVSEH-UHFFFAOYSA-N"	"InChI=1S/C12H13ClN4S/c13-10-6-11(16-12(14)15-10)17(8-3-4-8)7-9-2-1-5-18-9/h1-2,5-6,8H,3-4,7H2,(H2,14,15,16)"	""	""	""
"14199"	"LRK-4189"	""	"Synthetic organic"	""	""	""	""	"518520826"	"172592045"	""	""	""	""	""	""	""	"4-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperazin-1-yl]-N-[4-[[5-fluoro-4-[3-(2-oxopyridin-1-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide"	""	"Compound 319 [WO2024233846]|LRK4189"	"C1CC(=O)NC(=O)[C@H]1NC2=CC(=C(C=C2)N3CCN(CC3)C4CCC(CC4)C(=O)NC5CCC(CC5)NC6=NC=C(C(=N6)C7=CC(=CC=C7)N8C=CC=CC8=O)F)F"	"JESQZBCEODMQQE-FYVYCVFMSA-N"	"InChI=1S/C43H49F2N9O4/c44-34-25-31(47-36-16-18-38(55)50-42(36)58)13-17-37(34)53-22-20-52(21-23-53)32-14-7-27(8-15-32)41(57)48-29-9-11-30(12-10-29)49-43-46-26-35(45)40(51-43)28-4-3-5-33(24-28)54-19-2-1-6-39(54)56/h1-6,13,17,19,24-27,29-30,32,36,47H,7-12,14-16,18,20-23H2,(H,48,57)(H,46,49,51)(H,50,55,58)/t27?,29?,30?,32?,36-/m0/s1"	""	""	""
"9396"	"LRRK2-IN-1"	""	"Synthetic organic"	""	""	""	""	"328083498"	"46843906"	""	""	"CHEMBL2012582"	""	""	""	""	"2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one"	""	"LRRK2-IN1|LRRK2IN1"	"COc1cc(ccc1Nc1ncc2c(n1)n(C)c1ccccc1c(=O)n2C)C(=O)N1CCC(CC1)N1CCN(CC1)C"	"IWMCPJZTADUIFX-UHFFFAOYSA-N"	"InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)"	""	""	""
"13902"	"LRRK2 inhibitor 6 [PMID: 40353293]"	""	"Synthetic organic"	""	""	""	""	"513757587"	"129244926"	""	""	""	""	""	""	""	"4-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-N-(1-methyltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine"	""	""	"CN1C=C(N=N1)NC2=NC(N[C@@H]3C4=C(CC3)C=CC=C4)=C5C=CNC5=N2"	"ZQSBNCTWGKRISE-AWEZNQCLSA-N"	"InChI=1S/C18H18N8/c1-26-10-15(24-25-26)21-18-22-16-13(8-9-19-16)17(23-18)20-14-7-6-11-4-2-3-5-12(11)14/h2-5,8-10,14H,6-7H2,1H3,(H3,19,20,21,22,23)/t14-/m0/s1"	""	""	""
"2192"	"LS-192629"	""	"Synthetic organic"	""	""	""	""	"135650535"	"9690136"	""	""	"CHEMBL1254024"	""	""	""	""	"(2S,4Z)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide"	""	"LS 192629|LS192629"	"CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C"	"IBXGJPAYWMFXSF-UEEONYLUSA-N"	"InChI=1S/C28H29N3O4/c1-19-8-6-7-11-24(19)20-12-14-22(15-13-20)28(34)31-18-23(30-35-2)16-25(31)27(33)29-17-26(32)21-9-4-3-5-10-21/h3-15,25-26,32H,16-18H2,1-2H3,(H,29,33)/b30-23-/t25-,26+/m0/s1"	""	""	""
"154"	"(+)-LSD"	""	"Synthetic organic"	""	""	""	""	"135650537"	"638252"	""	""	""	""	""	""	""	"(4S,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide"	""	""	"CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC"	"VAYOSLLFUXYJDT-KBXCAEBGSA-N"	"InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18+/m0/s1"	""	""	""
"726"	"L-serine"	""	"Metabolite"	""	""	""	""	"135651510"	"5951"	""	""	"CHEMBL11298"	""	""	""	""	"(2S)-2-amino-3-hydroxypropanoic acid"	"serine"	"L-Ser"	"OC[C@@H](C(=O)O)N"	"MTCFGRXMJLQNBG-REOHCLBHSA-N"	"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1"	""	""	""
"1411"	"L-serine-O-phosphate"	""	"Metabolite"	""	""	""	""	"135651511"	"68841"	""	""	"CHEMBL284377"	""	""	""	""	"(2S)-2-amino-3-phosphonooxypropanoic acid"	"dexfosfoserine"	"L-SOP|LSOP"	"OC(=O)[C@H](COP(=O)(O)O)N"	"BZQFBWGGLXLEPQ-REOHCLBHSA-N"	"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1"	""	""	""
"9121"	"LSN2424100"	""	"Synthetic organic"	""	""	""	""	"315661206"	"121231398"	""	""	""	""	""	""	""	"4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzene-1-sulfonamide"	""	""	"Fc1ccc(cc1)S(=O)(=O)N(c1ccccc1c1ccccc1)Cc1[nH]ccn1"	"PCDMCECXKAELMI-UHFFFAOYSA-N"	"InChI=1S/C22H18FN3O2S/c23-18-10-12-19(13-11-18)29(27,28)26(16-22-24-14-15-25-22)21-9-5-4-8-20(21)17-6-2-1-3-7-17/h1-15H,16H2,(H,24,25)"	""	""	""
"6394"	"LSN2463359"	""	"Synthetic organic"	""	""	""	""	"178103010"	"72551298"	""	""	"CHEMBL2431212"	""	""	""	""	"N-(propan-2-yl)-5-[2-(pyridin-4-yl)ethynyl]pyridine-2-carboxamide"	""	"LSN 2463359"	"CC(NC(=O)c1ccc(cn1)C#Cc1ccncc1)C"	"STAFRSGTRKNXHF-UHFFFAOYSA-N"	"InChI=1S/C16H15N3O/c1-12(2)19-16(20)15-6-5-14(11-18-15)4-3-13-7-9-17-10-8-13/h5-12H,1-2H3,(H,19,20)"	""	""	""
"6395"	"LSN2814617"	""	"Synthetic organic"	""	""	""	""	"178103011"	"53252525"	""	""	"CHEMBL2431211"	""	""	""	""	"5-[(7S)-3-tert-butyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole"	""	""	"Fc1ccc(cc1)c1noc(n1)[C@H]1CCn2c(C1)nnc2C(C)(C)C"	"NPRJTKMKUYJGAL-LBPRGKRZSA-N"	"InChI=1S/C18H20FN5O/c1-18(2,3)17-22-21-14-10-12(8-9-24(14)17)16-20-15(23-25-16)11-4-6-13(19)7-5-11/h4-7,12H,8-10H2,1-3H3/t12-/m0/s1"	""	""	""
"14694"	"LSN3160440"	""	"Synthetic organic"	""	""	""	""	""	"146155955"	""	""	"CHEMBL5197819"	""	""	""	""	"1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-[2-[(2R)-piperidin-2-yl]phenyl]benzimidazole"	""	""	"C[C@H](C1=C(C=CC(=C1Cl)OC)Cl)N2C=NC3=C2C=C(C=C3)C4=CC=CC=C4[C@H]5CCCCN5"	"YFCMSHPEVDOMQA-VGOFRKELSA-N"	"InChI=1S/C27H27Cl2N3O/c1-17(26-21(28)11-13-25(33-2)27(26)29)32-16-31-23-12-10-18(15-24(23)32)19-7-3-4-8-20(19)22-9-5-6-14-30-22/h3-4,7-8,10-13,15-17,22,30H,5-6,9,14H2,1-2H3/t17-,22-/m1/s1"	""	""	""
"11927"	"LSN3318839"	""	"Synthetic organic"	""	""	""	""	"461663482"	"162641136"	""	""	""	""	""	""	""	"(2R)-2-(2-{1-[(1R)-1-(2,6-dichloro-3-cyclopropylphenyl)ethyl]-1H-imidazo[4,5-c]pyridin-6-yl}phenyl)propanoic acid"	""	""	"OC(=O)[C@@H](c1c(c2[n]cc3[n]cn(c3c2)[C@@H](c2c(c(C3CC3)ccc2Cl)Cl)C)cccc1)C"	"JPJWHCNGSBCZMI-HUUCEWRRSA-N"	"InChI=1S/C26H23Cl2N3O2/c1-14(26(32)33)17-5-3-4-6-19(17)21-11-23-22(12-29-21)30-13-31(23)15(2)24-20(27)10-9-18(25(24)28)16-7-8-16/h3-6,9-16H,7-8H2,1-2H3,(H,32,33)/t14-,15-/m1/s1"	""	""	""
"6739"	"LSP1-2111"	""	"Synthetic organic"	""	""	""	""	"178103350"	"46898088"	""	""	"CHEMBL3114672"	""	""	""	""	"(2S)-2-amino-4-{hydroxy[hydroxy(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]phosphoryl}butanoic acid"	""	""	"COc1cc(cc(c1O)[N+](=O)[O-])C(P(=O)(CC[C@@H](C(=O)O)N)O)O"	"PEXVMHLARUAHNC-KAJCPDDVSA-N"	"InChI=1S/C12H17N2O9P/c1-23-9-5-6(4-8(10(9)15)14(19)20)12(18)24(21,22)3-2-7(13)11(16)17/h4-5,7,12,15,18H,2-3,13H2,1H3,(H,16,17)(H,21,22)/t7-,12?/m0/s1"	""	""	""
"6706"	"LSP4-2022"	""	"Synthetic organic"	""	""	""	""	"178103317"	"71041983"	""	""	"CHEMBL3114673"	""	""	""	""	"(2S)-2-amino-4-({[4-(carboxymethoxy)phenyl](hydroxy)methyl}(hydroxy)phosphoryl)butanoic acid"	""	""	"OC(=O)COc1ccc(cc1)C(P(=O)(CC[C@@H](C(=O)O)N)O)O"	"BGOFVWMHMQISHB-NKUHCKNESA-N"	"InChI=1S/C13H18NO8P/c14-10(12(17)18)5-6-23(20,21)13(19)8-1-3-9(4-2-8)22-7-11(15)16/h1-4,10,13,19H,5-7,14H2,(H,15,16)(H,17,18)(H,20,21)/t10-,13?/m0/s1"	""	""	""
"12145"	"LSZ102"	""	"Synthetic organic"	""	""	""	""	"472319267"	"118574930"	""	""	""	""	""	""	""	""	""	"compound 10 [PMID: 29562737]|LSZ-102"	"FC(C)(F)c1c(ccc(c1)F)c1c(c2c(s1)cc(cc2)O)Oc1ccc(cc1)/C=C/C(=O)O"	"SJXNPGGVGZXKKI-NYYWCZLTSA-N"	"InChI=1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+"	""	""	""
"5214"	"LTA<sub>4</sub>"	""	"Metabolite"	""	""	""	""	"178101899"	"5280383"	""	""	"CHEMBL69439"	""	""	""	""	"4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraen-1-yl]oxiran-2-yl]butanoic acid"	""	"leukotriene A4"	"CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1CCCC(=O)O"	"UFPQIRYSPUYQHK-WAQVJNLQSA-N"	"InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1"	""	""	""
"2487"	"LTB<sub>4</sub>"	""	"Metabolite"	""	""	""	""	"53801088"	"5280492"	""	""	"CHEMBL65061"	""	""	""	""	"(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid"	""	"leukotriene B<sub>4</sub>"	"CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O"	"VNYSSYRCGWBHLG-AMOLWHMGSA-N"	"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1"	"yes"	""	""
"3354"	"LTC<sub>4</sub>"	""	"Metabolite"	""	""	""	""	"135651512"	"5280493"	""	""	"CHEMBL451509"	""	""	""	""	"(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(4S)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid"	""	"leukotriene C4"	"CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N"	"GWNVDXQDILPJIG-NXOLIXFESA-N"	"InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1"	""	""	""
"3353"	"LTD<sub>4</sub>"	""	"Metabolite"	""	""	""	""	"135651513"	"6435286"	""	""	"CHEMBL1521056"	""	""	""	""	"(5S,6R,7E,9E,11Z,14Z)-6-({2-amino-2-[(carboxymethyl)carbamoyl]ethyl}sulfanyl)-5-hydroxyicosa-7,9,11,14-tetraenoic acid"	""	"leukotriene D4"	"CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)N"	"YEESKJGWJFYOOK-LDDGIIIKSA-N"	"InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20?,21-,22+/m0/s1"	""	""	""
"3352"	"LTE<sub>4</sub>"	""	"Metabolite"	""	""	""	""	"135651514"	"5280879"	""	""	"CHEMBL509456"	""	""	""	""	"(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid"	""	"leukotriene E|leukotriene E<sub>4</sub>"	"CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N"	"OTZRAYGBFWZKMX-FRFVZSDQSA-N"	"InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1"	""	""	""
"13163"	"LTGO-33"	""	"Synthetic organic"	""	""	""	""	"491299945"	"169124157"	""	""	""	""	""	""	""	"2-(4-fluoro-2-methylphenoxy)-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide"	""	""	"CC1=CC(F)=CC=C1OC2=NC=C(C=C2C(=O)NC3=CC=CC(=C3)[S@](C)(=N)=O)C(F)(F)F"	"IIJWTXGHWFZLBF-JGCGQSQUSA-N"	"InChI=1S/C21H17F4N3O3S/c1-12-8-14(22)6-7-18(12)31-20-17(9-13(11-27-20)21(23,24)25)19(29)28-15-4-3-5-16(10-15)32(2,26)30/h3-11,26H,1-2H3,(H,28,29)/t32-/m1/s1"	""	""	""
"4785"	"L-threonine"	""	"Metabolite"	""	""	""	""	"178101487"	"6288"	""	""	"CHEMBL291747"	""	""	""	""	"(2S,3R)-2-amino-3-hydroxybutanoic acid"	"threonine"	"L-Thr"	"C[C@H]([C@@H](C(=O)O)N)O"	"AYFVYJQAPQTCCC-GBXIJSLDSA-N"	"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1"	""	""	""
"8385"	"LTK-14"	""	"Synthetic organic"	""	""	""	""	"252166597"	"25226432"	""	""	""	""	""	""	""	"(1S,3S,9R,11R)-7-(3-hydroxy-4-methoxybenzoyl)-4,4,10,10-tetramethyl-3,9,11-tris(3-methylbut-2-en-1-yl)-5-oxatricyclo[7.3.1.0<sup>1</sup>,<sup>6</sup>]tridec-6-ene-8,13-dione"	""	"14-methoxy IG (isogarcinol)|LTK14"	"COc1ccc(cc1O)C(=O)C1=C2OC(C)(C)[C@H](C[C@]32C[C@H](C([C@@](C1=O)(C3=O)CC=C(C)C)(C)C)CC=C(C)C)CC=C(C)C"	"GEMUMPJYCDKSDU-OAKZDBKWSA-N"	"InChI=1S/C39H52O6/c1-23(2)12-15-27-21-38-22-28(16-13-24(3)4)37(9,10)45-34(38)31(32(41)26-14-17-30(44-11)29(40)20-26)33(42)39(35(38)43,36(27,7)8)19-18-25(5)6/h12-14,17-18,20,27-28,40H,15-16,19,21-22H2,1-11H3/t27-,28+,38+,39+/m1/s1"	""	""	""
"4516"	"L-trans-2,4-pyrolidine dicarboxylate"	""	"Synthetic organic"	""	""	""	""	"178101241"	"40466934"	""	""	""	""	""	""	""	"(2S,4R)-pyrrolidin-1-ium-2,4-dicarboxylate"	""	""	"[O-]C(=O)[C@H]1[NH2+]C[C@@H](C1)C(=O)[O-]"	"NRSBQSJHFYZIPH-DMTCNVIQSA-M"	"InChI=1S/C6H9NO4/c8-5(9)3-1-4(6(10)11)7-2-3/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/p-1/t3-,4+/m1/s1"	""	""	""
"12424"	"L-Trp-Trp-Trp"	""	"Peptide"	""	""	""	""	"479821215"	"44398561"	""	""	"CHEMBL434535"	""	""	""	""	"(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid"	""	""	"C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)O)N"	"KRCAKIVDAFTTGJ-ARVREXMNSA-N"	"InChI=1S/C33H32N6O4/c34-25(13-19-16-35-26-10-4-1-7-22(19)26)31(40)38-29(14-20-17-36-27-11-5-2-8-23(20)27)32(41)39-30(33(42)43)15-21-18-37-28-12-6-3-9-24(21)28/h1-12,16-18,25,29-30,35-37H,13-15,34H2,(H,38,40)(H,39,41)(H,42,43)/t25-,29-,30-/m0/s1"	""	""	""
"717"	"L-tryptophan"	""	"Metabolite"	""	""	""	""	"135651515"	"6305"	""	""	"CHEMBL54976"	""	""	""	""	"(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid"	"tryptophan"	"L-Trp"	"OC(=O)[C@H](Cc1c[nH]c2c1cccc2)N"	"QIVBCDIJIAJPQS-VIFPVBQESA-N"	"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1"	""	""	""
"14299"	"LTV17"	""	"Synthetic organic"	""	""	""	""	"523352091"	"90656109"	""	""	"CHEMBL3265226"	""	""	""	""	"(4S)-2-[(4S)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid"	""	"compound 17 [PMID: 24694215]"	"CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2CON(C2=O)C3(C[C@@H](C(=O)O3)N4C(=O)C5=CC(=C(C=C5C4=O)O)O)C(=O)O"	"JIGNDUNBKKQBKB-OIANMIDYSA-N"	"InChI=1S/C25H22N6O14S/c1-24(2,21(39)40)45-29-15(11-7-46-23(26)28-11)16(34)27-10-6-43-31(19(10)37)25(22(41)42)5-12(20(38)44-25)30-17(35)8-3-13(32)14(33)4-9(8)18(30)36/h3-4,7,10,12,32-33H,5-6H2,1-2H3,(H2,26,28)(H,27,34)(H,39,40)(H,41,42)/b29-15-/t10-,12-,25?/m0/s1"	""	""	"yes"
"5898"	"LTX<sup>(N4C)</sup>"	""	"Peptide"	""	""	""	""	"178102521"	"0"	""	""	""	""	""	""	""	""	""	"latrotoxin<sup>(N4C)</sup>"	""	""	""	""	""	""
"4791"	"L-tyrosine"	""	"Metabolite"	""	""	""	""	"178101493"	"6057"	""	""	"CHEMBL925"	""	""	""	""	"(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid"	"tyrosine"	"L-Tyr"	"OC(=O)[C@H](Cc1ccc(cc1)O)N"	"OUYCCCASQSFEME-QMMMGPOBSA-N"	"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1"	""	""	""
"2029"	"[L-Tyr<sup>8</sup>]CYN 154806"	""	"Peptide"	""	""	""	""	"135652271"	"0"	""	""	""	""	""	""	""	""	""	"cyanamid 154806"	""	""	""	""	""	""
"4756"	"LU32-176B"	""	"Synthetic organic"	""	""	""	""	"178101466"	"11749893"	""	""	""	""	""	""	""	"4-{[4,4-bis(4-fluorophenyl)butyl]amino}-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol"	""	""	"Fc1ccc(cc1)C(c1ccc(cc1)F)CCCNC1CCCc2c1c(O)no2"	"QOSIKKDOOCQXMT-UHFFFAOYSA-N"	"InChI=1S/C23H24F2N2O2/c24-17-10-6-15(7-11-17)19(16-8-12-18(25)13-9-16)3-2-14-26-20-4-1-5-21-22(20)23(28)27-29-21/h6-13,19-20,26H,1-5,14H2,(H,27,28)"	""	""	""
"5435"	"LuAE51090"	""	"Synthetic organic"	""	""	""	""	"178102087"	"44207909"	""	""	"CHEMBL1242923"	""	""	""	""	"N-{1-[3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl}-2-phenylacetamide"	""	"compound 6 [PMID: 25590655]|Lu AE51090"	"O=C(Cc1ccccc1)NC1CCN(CC1)CCCN1C(=O)COc2c1cccc2"	"FLGSUSWMWSZVMP-UHFFFAOYSA-N"	"InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)"	""	""	""
"6237"	"Lu AF21934"	""	"Synthetic organic"	""	""	""	""	"178102858"	"73755199"	""	""	""	""	""	""	""	"(1S,2R)-2-[(aminooxy)methyl]-N-(3,4-dichlorophenyl)cyclohexane-1-carboxamide"	""	""	"NOC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(c(c1)Cl)Cl"	"MBRLECISJUKSAN-ONGXEEELSA-N"	"InChI=1S/C14H18Cl2N2O2/c15-12-6-5-10(7-13(12)16)18-14(19)11-4-2-1-3-9(11)8-20-17/h5-7,9,11H,1-4,8,17H2,(H,18,19)/t9-,11-/m0/s1"	""	""	""
"13576"	"Lu AF64196"	""	"Synthetic organic"	""	""	""	""	"504705395"	"172431610"	""	""	""	""	""	""	""	"N-[(2S,3R)-2,3-dimethyloxolan-3-yl]-7,8-dimethoxy-N-methylquinazolin-4-amine"	""	""	"COC1=C(OC)C2=C(C=C1)C(=NC=N2)N(C)[C@]3(C)CCO[C@H]3C"	"IPOISSAYJDJXIK-APPDUMDISA-N"	"InChI=1S/C17H23N3O3/c1-11-17(2,8-9-23-11)20(3)16-12-6-7-13(21-4)15(22-5)14(12)18-10-19-16/h6-7,10-11H,8-9H2,1-5H3/t11-,17+/m0/s1"	""	""	""
"4242"	"lubiprostone"	""	"Synthetic organic"	"yes"	""	""	""	"178101059"	"157920"	""	""	"CHEMBL1201134"	""	""	""	""	"7-[(2R,4aR,5R,7aR)-2-(1,1-difluoropentyl)-2-hydroxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[e]pyran-5-yl]heptanoic acid"	"lubiprostone"	"Amitiza&reg;|SPI-0211"	"CCCCC([C@@]1(O)CC[C@H]2[C@H](O1)CC(=O)[C@@H]2CCCCCCC(=O)O)(F)F"	"WGFOBBZOWHGYQH-MXHNKVEKSA-N"	"InChI=1S/C20H32F2O5/c1-2-3-11-19(21,22)20(26)12-10-15-14(16(23)13-17(15)27-20)8-6-4-5-7-9-18(24)25/h14-15,17,26H,2-13H2,1H3,(H,24,25)/t14-,15-,17-,20-/m1/s1"	""	""	""
"7649"	"lucitanib"	""	"Synthetic organic"	""	""	""	""	"223365984"	"25031915"	""	""	"CHEMBL2220486"	""	""	""	""	"6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide"	"lucitanib"	"E-3810 amine|E3810"	"CNC(=O)c1cccc2c1ccc(c2)Oc1ccnc2c1cc(OC)c(c2)OCC1(N)CC1"	"CUDVHEFYRIWYQD-UHFFFAOYSA-N"	"InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)"	""	""	""
"376"	"LUF5831"	""	"Synthetic organic"	""	""	""	""	"135650538"	"135494270"	""	""	"CHEMBL175788"	""	""	""	""	"2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(4-hydroxy-phenyl)-pyridine-3,5-dicarbonitrile"	""	"LUF 5831|LUF-5831"	"OCCSc1nc(N)c(c(c1C#N)c1ccc(cc1)O)C#N"	"GYIHPWFWFRELQC-UHFFFAOYSA-N"	"InChI=1S/C15H12N4O2S/c16-7-11-13(9-1-3-10(21)4-2-9)12(8-17)15(19-14(11)18)22-6-5-20/h1-4,20-21H,5-6H2,(H2,18,19)"	""	""	""
"9813"	"LUF5962"	""	"Synthetic organic"	""	""	""	""	"354702285"	"11617054"	""	""	"CHEMBL207824"	""	""	""	""	"8-cyclopentyl-2,6-diphenyl-7H-purine"	""	"LUF 5962|LUF-5962"	"C1CCC(C1)c1[nH]c2c(n1)nc(nc2c1ccccc1)c1ccccc1"	"NDJOQVVSPLVIDN-UHFFFAOYSA-N"	"InChI=1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26)"	""	""	""
"5607"	"LUF5981"	""	"Synthetic organic"	""	""	""	""	"178102241"	"16109435"	""	""	"CHEMBL219160"	""	""	""	""	"2-cyclohexyl-5,7-di(phenyl)-1H-imidazo[4,5-b]pyridine"	""	"LUF 5981|LUF-5981"	"C1CCC(CC1)c1nc2c([nH]1)nc(cc2c1ccccc1)c1ccccc1"	"DXBBMCIVYYJMJC-UHFFFAOYSA-N"	"InChI=1S/C24H23N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)26-23(27-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,27)"	""	""	""
"9446"	"LUF6000"	""	"Synthetic organic"	""	""	""	""	"329968386"	"11711282"	""	""	""	""	""	""	""	"2-cyclohexyl-N-(3,4-dichlorophenyl)-3H-imidazo[5,4-c]quinolin-4-amine"	""	""	"Clc1ccc(cc1Cl)Nc1nc2ccccc2c2c1[nH]c(n2)C1CCCCC1"	"UWJVRSIGHHSDSJ-UHFFFAOYSA-N"	"InChI=1S/C22H20Cl2N4/c23-16-11-10-14(12-17(16)24)25-22-20-19(15-8-4-5-9-18(15)26-22)27-21(28-20)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2,(H,25,26)(H,27,28)"	""	""	""
"9447"	"LUF6096"	""	"Synthetic organic"	""	""	""	""	"329968387"	"25191023"	""	""	""	""	""	""	""	"N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide"	""	""	"O=C(C1CCCCC1)Nc1cc(Nc2ccc(c(c2)Cl)Cl)nc2c1cccc2"	"UWEIQVQNNLVOEI-UHFFFAOYSA-N"	"InChI=1S/C22H21Cl2N3O/c23-17-11-10-15(12-18(17)24)25-21-13-20(16-8-4-5-9-19(16)26-21)27-22(28)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H2,25,26,27,28)"	""	""	""
"7847"	"LUF6200"	""	"Synthetic organic"	""	""	""	""	"223366177"	"86277846"	""	""	""	""	""	""	""	"ethyl[2-(4-nitrophenoxy)ethyl][2-(4-nitrophenyl)ethyl]amine"	""	""	"CCN(CCc1ccc(cc1)N(=O)=O)CCOc1ccc(cc1)N(=O)=O"	"DNTKZECWRGSWKD-UHFFFAOYSA-N"	"InChI=1S/C18H21N3O5/c1-2-19(12-11-15-3-5-16(6-4-15)20(22)23)13-14-26-18-9-7-17(8-10-18)21(24)25/h3-10H,2,11-14H2,1H3"	""	""	""
"10447"	"LUF7244"	""	"Synthetic organic"	""	""	""	""	"385612207"	"127042386"	""	""	"CHEMBL3740151"	""	""	""	""	"2-[4-(3-chlorobenzoyl)phenoxy]-N-(pyridin-3-yl)acetamide"	""	"compound 7i [PMID: 26519929]"	"O=C(Nc1cccnc1)COc1ccc(cc1)C(=O)c1cccc(c1)Cl"	"KKKJYDOHVKIIQP-UHFFFAOYSA-N"	"InChI=1S/C20H15ClN2O3/c21-16-4-1-3-15(11-16)20(25)14-6-8-18(9-7-14)26-13-19(24)23-17-5-2-10-22-12-17/h1-12H,13H2,(H,23,24)"	""	""	""
"10351"	"LUF7602"	""	"Synthetic organic"	""	""	""	""	"384403632"	"138393285"	""	""	""	""	""	""	""	"4-((3(8-Methoxy-2,4-dioxo-3-propyl-3,4-dihydropyrido[2,1-f]purin-1(2H)yl)propyl)carbamoyl)benzenesulfonyl Fluoride"	""	"compound 17b [PMID: 30869893]|LUF-7602"	"CCCn1c(=O)c2n3ccc(cc3nc2n(c1=O)CCCCNC(=O)c1ccc(cc1)S(=O)(=O)F)OC"	"WUZBOJXXYMKMMF-UHFFFAOYSA-N"	"InChI=1S/C24H26FN5O6S/c1-3-12-30-23(32)20-21(27-19-15-17(36-2)10-14-28(19)20)29(24(30)33)13-5-4-11-26-22(31)16-6-8-18(9-7-16)37(25,34)35/h6-10,14-15H,3-5,11-13H2,1-2H3,(H,26,31)"	""	""	""
"11249"	"lufotrelvir"	""	"Synthetic organic"	""	""	""	""	"434122309"	"154699467"	""	""	""	""	""	""	""	"[(3S)-3-[(2S)-2-[(4-methoxy-1H-indol-2-yl)formamido]-4-methylpentanamido]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butoxy]phosphonic acid"	"lufotrelvir"	"PF-07304814|PF07304814"	"COc1cccc2c1cc([nH]2)C(=O)N[C@H](C(=O)N[C@H](C(=O)COP(=O)(O)O)C[C@@H]1CCNC1=O)CC(C)C"	"FQKALOFOWPDTED-WBAXXEDZSA-N"	"InChI=1S/C24H33N4O9P/c1-13(2)9-18(28-24(32)19-11-15-16(26-19)5-4-6-21(15)36-3)23(31)27-17(10-14-7-8-25-22(14)30)20(29)12-37-38(33,34)35/h4-6,11,13-14,17-18,26H,7-10,12H2,1-3H3,(H,25,30)(H,27,31)(H,28,32)(H2,33,34,35)/t14-,17-,18-/m0/s1"	""	""	""
"7366"	"luliconazole"	""	"Synthetic organic"	"yes"	""	""	""	"178103938"	"3003141"	""	""	"CHEMBL2105689"	""	""	""	""	"(2E)-2-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile"	"luliconazole"	"Lulicon&reg;|Luzu&reg;|NND-502|PR-2699"	"N#C/C(=C\1/SC[C@H](S1)c1ccc(cc1Cl)Cl)/n1cncc1"	"YTAOBBFIOAEMLL-REQDGWNSSA-N"	"InChI=1S/C14H9Cl2N3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+/t13-/m0/s1"	""	""	""
"8460"	"lulizumab pegol"	""	"Antibody"	""	""	""	""	"252166670"	"0"	""	""	""	""	""	""	""	""	"lulizumab pegol"	"BMS-931699|BMS931699"	""	""	""	"yes"	""	""
"7481"	"lumacaftor"	""	"Synthetic organic"	"yes"	""	""	""	"187051784"	"16678941"	""	""	"CHEMBL2103870"	""	""	""	""	"3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoic acid"	"lumacaftor"	"VRT-826809|VX-809|VX809"	"O=C(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)Nc1ccc(c(n1)c1cccc(c1)C(=O)O)C"	"UFSKUSARDNFIRC-UHFFFAOYSA-N"	"InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)"	""	""	""
"13613"	"lumasiran"	""	"Nucleic acid"	"yes"	""	""	""	"504705432"	"0"	""	""	"CHEMBL4297779"	""	""	""	""	""	"lumasiran"	"AD-65585|ALN-65585|ALN-G01|Oxlumo&reg;"	""	""	""	""	""	""
"9099"	"lumateperone"	""	"Synthetic organic"	"yes"	""	""	""	"315661184"	"9821941"	""	""	"CHEMBL3545045"	""	""	""	""	""	"lumateperone"	"Caplyta&reg;|ITI-007"	"Fc1ccc(cc1)C(=O)CCCN1CCC2C(C1)c1cccc3c1N2CCN3C"	"HOIIHACBCFLJET-UHFFFAOYSA-N"	"InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3"	""	""	""
"9969"	"lumefantrine"	""	"Synthetic organic"	"yes"	""	""	""	"374883856"	"6437380"	""	""	"CHEMBL38827"	""	""	""	""	"2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol"	"lumefantrine"	"benflumetol|Coartem&reg; (lumefantrine + artemether)"	"CCCCN(CC(c1cc(Cl)cc2c1c1ccc(cc1/C/2=C/c1ccc(cc1)Cl)Cl)O)CCCC"	"DYLGFOYVTXJFJP-MYYYXRDXSA-N"	"InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-"	""	"yes"	""
"11053"	"luminamicin"	""	"Natural product"	""	""	""	""	"405560494"	"6438852"	""	""	""	""	""	""	""	""	""	"coloradocin|LS-90907"	"COC1C[C@H]2C=C[C@@H]3[C@@H]4[C@]2(O[C@H](C3)[C@@H]([C@H]4O)C)/C(=C/C2[C@H](OC1=O)C(O)CO/C=C/C1=C(CCC(=O)OC2)C(=O)OC1=O)/C"	"UGSGHHXIPUAOBJ-FUQUDWCDSA-N"	"InChI=1S/C32H38O12/c1-15-10-18-13-41-25(34)7-6-20-21(30(37)43-29(20)36)8-9-40-14-22(33)28(18)42-31(38)24(39-3)12-19-5-4-17-11-23-16(2)27(35)26(17)32(15,19)44-23/h4-5,8-10,16-19,22-24,26-28,33,35H,6-7,11-14H2,1-3H3/b9-8+,15-10+/t16-,17-,18?,19+,22?,23+,24?,26-,27+,28-,32-/m0/s1"	""	""	"yes"
"9261"	"luminespib"	""	"Synthetic organic"	""	""	""	""	"315661336"	"135539077"	""	""	""	""	""	""	""	""	"luminespib"	"AUY922|NVP-AUY922"	"CCNC(=O)c1noc(c1c1ccc(cc1)CN1CCOCC1)c1cc(C(C)C)c(cc1O)O"	"NDAZATDQFDPQBD-UHFFFAOYSA-N"	"InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)"	""	""	""
"14622"	"lumipodlin"	""	"Synthetic organic"	""	""	""	""	"530846870"	"155384987"	""	""	"CHEMBL6001386"	""	""	""	""	""	"lumipodlin"	"ABSK-043|ABSK043|example 110 [US11459339]"	"C(C=1C(=CC(C(NC2=C(C)C(=CC=C2)C3=C(C)C(NC(=O)C4=CC(=C(CN5[C@H](C(O)=O)CCCC5)C=N4)C6CC6)=CC=C3)=O)=NC1)C7CC7)N8[C@H](C(O)=O)CCCC8"	"QWBZPNLSRDRSFE-COCZKOEFSA-N"	"InChI=1S/C46H52N6O6/c1-27-33(9-7-11-37(27)49-43(53)39-21-35(29-15-16-29)31(23-47-39)25-51-19-5-3-13-41(51)45(55)56)34-10-8-12-38(28(34)2)50-44(54)40-22-36(30-17-18-30)32(24-48-40)26-52-20-6-4-14-42(52)46(57)58/h7-12,21-24,29-30,41-42H,3-6,13-20,25-26H2,1-2H3,(H,49,53)(H,50,54)(H,55,56)(H,57,58)/t41-,42-/m0/s1"	""	""	""
"2897"	"lumiracoxib"	""	"Synthetic organic"	"yes"	""	""	""	"178100246"	"151166"	""	""	"CHEMBL404108"	""	""	""	""	"2-[2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl]acetic acid"	"lumiracoxib"	"Prexige&reg;"	"OC(=O)Cc1cc(C)ccc1Nc1c(F)cccc1Cl"	"KHPKQFYUPIUARC-UHFFFAOYSA-N"	"InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)"	"yes"	""	""
"12931"	"LUNA18"	""	"Peptide"	""	""	""	""	"485206052"	"169422743"	""	""	""	""	""	""	""	"(2S)-2-[(2S)-2-(1-{1-[(2S)-1-[(2S)-2-{2-[(2S)-2-{1-[(2S)-1-[(2S)-2-[(2S,3S)-2-amino-N,3-dimethylpentanamido]propanoyl]azetidin-2-yl]-N-ethylformamido}-N-methyl-3-(4-methylphenyl)propanamido]acetamido}-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-2-amido]cyclopentyl}-N-methylformamido)-2-cyclopentyl-N-methylacetamido]-N'-[(1S)-1-{[(1S,2S)-1-(dimethylcarbamoyl)-2-methylbutyl]carbamoyl}-3-methylbutyl]-N,N,N'-trimethylbutanediamide"	""	"compound 45 [PMID: 37463267]"	"CC[C@H](C)[C@H](N)C(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]1C(=O)N(CC)[C@@H](CC2=CC=C(C)C=C2)C(=O)N(C)CC(=O)N[C@@H](CCC3=CC(F)=C(C(F)=C3)C(F)(F)F)C(=O)N4CCC[C@H]4C(=O)NC5(CCCC5)C(=O)N(C)[C@@H](C6CCCC6)C(=O)N(C)[C@@H](CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)C)C(=O)N(C)C"	"VXOYCRDXTBEJEX-GKFACYGMSA-N"	"InChI=1S/C81H123F5N14O13/c1-19-49(7)66(87)76(110)94(15)51(9)71(105)100-40-36-59(100)75(109)98(21-3)62(44-52-32-30-48(6)31-33-52)74(108)93(14)46-63(101)88-57(35-34-53-42-55(82)65(56(83)43-53)81(84,85)86)72(106)99-39-26-29-58(99)70(104)90-80(37-24-25-38-80)79(113)97(18)68(54-27-22-23-28-54)78(112)96(17)61(73(107)91(10)11)45-64(102)95(16)60(41-47(4)5)69(103)89-67(50(8)20-2)77(111)92(12)13/h30-33,42-43,47,49-51,54,57-62,66-68H,19-29,34-41,44-46,87H2,1-18H3,(H,88,101)(H,89,103)(H,90,104)/t49-,50-,51-,57-,58-,59-,60-,61-,62-,66-,67-,68-/m0/s1"	""	""	""
"11382"	"lunacalcipol"	""	"Synthetic organic"	""	""	""	""	"440816751"	"10672195"	""	""	"CHEMBL2105705"	""	""	""	""	"(1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(E,2R)-5-tert-butylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol"	"lunacalcipol"	"CTA-018|CTA018|CTA018/MT2832"	"O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC=C3[C@@H](C/C=C/S(=O)(=O)C(C)(C)C)C)C)/C1"	"RFQHCLMGLJGZNV-UXXOMSPDSA-N"	"InChI=1S/C28H42O4S/c1-19(9-8-16-33(31,32)27(3,4)5)24-13-14-25-21(10-7-15-28(24,25)6)11-12-22-17-23(29)18-26(30)20(22)2/h8,11-13,16,19,23,25-26,29-30H,2,7,9-10,14-15,17-18H2,1,3-6H3/b16-8+,21-11+,22-12-/t19-,23-,25+,26+,28-/m1/s1"	""	""	""
"13212"	"lunbotinib"	""	"Synthetic organic"	""	""	""	""	"491299994"	"146013180"	""	""	""	""	""	""	""	"2-[6-[6-[[6-(4-fluoropyrazol-1-yl)pyridin-3-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-3-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine"	"lunbotinib"	"compound 17 [WO2020168939]"	"CC1=CC(NC2=CC(C)=NC(=N2)C3=CN=C(C=C3)N4CC5CC(C4)N5CC6=CN=C(C=C6)N7C=C(F)C=N7)=NN1"	"SYAIWXURFWCECS-UHFFFAOYSA-N"	"InChI=1S/C28H28FN11/c1-17-7-24(34-25-8-18(2)36-37-25)35-28(33-17)20-4-6-26(31-11-20)38-15-22-9-23(16-38)39(22)13-19-3-5-27(30-10-19)40-14-21(29)12-32-40/h3-8,10-12,14,22-23H,9,13,15-16H2,1-2H3,(H2,33,34,35,36,37)"	""	""	""
"13211"	"lunresertib"	""	"Synthetic organic"	""	""	""	""	"491299993"	"156869388"	""	""	"CHEMBL5199076"	""	""	""	""	"2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide"	"lunresertib"	"(Rac)-RP-6306"	"CC1=C(C(=C(C=C1)O)C)N2C(=C(C3=C2N=C(C(=C3)C)C)C(=O)N)N"	"ARBRHWRTXPWZGN-UHFFFAOYSA-N"	"InChI=1S/C18H20N4O2/c1-8-5-6-13(23)10(3)15(8)22-16(19)14(17(20)24)12-7-9(2)11(4)21-18(12)22/h5-7,23H,19H2,1-4H3,(H2,20,24)"	""	""	""
"14473"	"lunsekimig"	""	"Antibody"	""	""	""	""	"528429794"	"0"	""	""	""	""	""	""	""	""	"lunsekimig"	"F027400161|SAR-443765|SAR443765"	""	""	""	"yes"	""	""
"12445"	"lupulone"	""	"Natural product"	""	""	""	""	"479821235"	"68051"	""	""	"CHEMBL480267"	""	""	""	""	"3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one"	""	"beta-Bitter acid|beta-Lupulic acid|Lupolon"	"CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O"	"LSDULPZJLTZEFD-UHFFFAOYSA-N"	"InChI=1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19,28-29H,10,13-15H2,1-8H3"	""	""	""
"7461"	"lurasidone"	""	"Synthetic organic"	"yes"	""	""	""	"187051764"	"213046"	""	""	"CHEMBL1237021"	""	""	""	""	""	"lurasidone"	"Latuda&reg;|SM-13496"	"O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1"	"PQXKDMSYBGKCJA-CVTJIBDQSA-N"	"InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1"	""	""	""
"10681"	"lurbinectedin"	""	"Synthetic organic"	"yes"	""	""	""	"404859128"	"57327016"	""	""	""	""	""	""	""	""	"lurbinectedin"	"PM 01183|PM-01183|PM01183|Zepzelca&reg;"	"COc1ccc2c(c1)c1CCN[C@@]3(c1[nH]2)CS[C@@H]1c2c(OC(=O)C)c(C)c4c(c2[C@H](COC3=O)N2[C@@H]1[C@@H]1N([C@H]([C@@H]2O)Cc2c1c(O)c(c(c2)C)OC)C)OCO4"	"YDDMIZRDDREKEP-HWTBNCOESA-N"	"InChI=1S/C41H44N4O10S/c1-17-11-20-12-25-39(48)45-26-14-52-40(49)41(38-22(9-10-42-41)23-13-21(50-5)7-8-24(23)43-38)15-56-37(31(45)30(44(25)4)27(20)32(47)33(17)51-6)29-28(26)36-35(53-16-54-36)18(2)34(29)55-19(3)46/h7-8,11,13,25-26,30-31,37,39,42-43,47-48H,9-10,12,14-16H2,1-6H3/t25-,26-,30+,31+,37+,39-,41+/m0/s1"	""	""	""
"10538"	"luspatercept"	""	"Peptide"	"yes"	""	""	""	"387065620"	"0"	""	""	""	""	""	""	""	""	"luspatercept"	"ACE-536|ACE536|luspatercept-aamt|Reblozyl&reg;"	""	""	""	""	""	""
"10032"	"lusutrombopag"	""	"Synthetic organic"	"yes"	""	""	""	"375973220"	"49843517"	""	""	"CHEMBL2107831"	""	""	""	""	"(E)-3-[2,6-dichloro-4-[[4-[3-[(1S)-1-hexoxyethyl]-2-methoxyphenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methylprop-2-enoic acid"	"lusutrombopag"	"Mulpleta&reg;|S-888711|S888711"	"CCCCCCO[C@H](c1cccc(c1OC)c1csc(n1)NC(=O)c1cc(Cl)c(c(c1)Cl)/C=C(/C(=O)O)\C)C"	"NOZIJMHMKORZBA-KJCUYJGMSA-N"	"InChI=1S/C29H32Cl2N2O5S/c1-5-6-7-8-12-38-18(3)20-10-9-11-21(26(20)37-4)25-16-39-29(32-25)33-27(34)19-14-23(30)22(24(31)15-19)13-17(2)28(35)36/h9-11,13-16,18H,5-8,12H2,1-4H3,(H,35,36)(H,32,33,34)/b17-13+/t18-/m0/s1"	""	""	"yes"
"9604"	"lusvertikimab"	""	"Antibody"	""	""	""	""	"340590234"	"0"	""	""	""	""	""	""	""	""	"lusvertikimab"	"Effi-7|MD-707|OSE-127|OSE127"	""	""	""	"yes"	""	""
"13099"	"lutein"	""	"Natural product"	""	""	""	""	"491299881"	"5281243"	""	""	"CHEMBL173929"	""	""	""	""	"(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol"	""	"E 161b|xanthophyll"	"CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/C"	"KBPHJBAIARWVSC-RGZFRNHPSA-N"	"InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1"	""	""	""
"5215"	"luteolin"	""	"Natural product"	""	""	""	""	"178101900"	"5280445"	""	""	"CHEMBL151"	""	""	""	""	"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one"	""	""	"Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O"	"IQPNAANSBPBGFQ-UHFFFAOYSA-N"	"InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H"	""	"yes"	""
"9297"	"lutikizumab"	""	"Antibody"	""	""	""	""	"318164816"	"0"	""	""	""	""	""	""	""	""	"lutikizumab"	"ABT-981|E26.13-SS-X3"	""	""	""	"yes"	""	""
"11664"	"luvixasertib"	""	"Synthetic organic"	""	""	""	""	"442878690"	"118086034"	""	""	""	""	""	""	""	"N-cyclopropyl-4-[7-[(3-hydroxy-3-methylcyclobutyl)methylamino]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide"	""	"CFI-402257|CFI402257|compound 24 [PMID: 27437075]"	"Cc1c(ccc(c1)c1c2nc(cc(n2nc1)NCC1CC(C1)(C)O)Oc1cnccc1)C(=O)NC1CC1"	"PMQUGSPFUBGJCZ-UHFFFAOYSA-N"	"InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)"	""	""	""
"13495"	"luvometinib"	""	"Synthetic organic"	"yes"	""	""	""	"500839905"	"135210935"	""	""	""	""	""	""	""	"N-[3-[6-cyclopropyl-3-fluoro-4-(2-fluoro-4-iodoanilino)-1-methyl-2,5-dioxopyrido[2,3-d]pyridazin-8-yl]phenyl]cyclopropanesulfonamide"	"luvometinib"	"Example 6 [WO2014169843]|Fumaining&reg; (China)"	"CN1C2=C(C(=C(C1=O)F)NC3=C(C=C(C=C3)I)F)C(=O)N(N=C2C4=CC(=CC=C4)NS(=O)(=O)C5CC5)C6CC6"	"RJFDJJABNSVLRB-UHFFFAOYSA-N"	"InChI=1S/C26H22F2IN5O4S/c1-33-24-20(23(21(28)26(33)36)30-19-10-5-14(29)12-18(19)27)25(35)34(16-6-7-16)31-22(24)13-3-2-4-15(11-13)32-39(37,38)17-8-9-17/h2-5,10-12,16-17,30,32H,6-9H2,1H3"	""	""	""
"14692"	"luxafimloc"	""	"Synthetic organic"	""	""	""	""	"530846940"	"146296584"	""	""	"CHEMBL6102250"	""	""	""	""	""	"luxafimloc"	"GSK3882347"	"FC=1C=C(C=C(C1)F)C2=CC(=C(C=C2)[C@H]([C@@H]3[C@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)O)C"	"MDGCFZRSOKMPFJ-QONVVCGCSA-N"	"InChI=1S/C20H22F2O6/c1-9-4-10(11-5-12(21)7-13(22)6-11)2-3-14(9)16(24)20-19(27)18(26)17(25)15(8-23)28-20/h2-7,15-20,23-27H,8H2,1H3/t15-,16-,17-,18+,19+,20-/m1/s1"	""	""	""
"11671"	"luxeptinib"	""	"Synthetic organic"	""	""	""	""	"442878697"	"118480924"	""	""	"CHEMBL4594420"	""	""	""	""	"1-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]-3-(2,4,6-trifluorophenyl)urea"	"luxeptinib"	"CG-026806|CG-806|CG026806|CG806|example 7 [US9758508B2]"	"Fc1cc(ccc1c1c2CNC(=O)c2c(cc1)c1[nH]cc(n1)C)NC(=O)Nc1c(cc(cc1F)F)F"	"MWHHJYUHCZWSLS-UHFFFAOYSA-N"	"InChI=1S/C25H17F4N5O2/c1-11-9-30-23(32-11)16-5-4-14(17-10-31-24(35)21(16)17)15-3-2-13(8-18(15)27)33-25(36)34-22-19(28)6-12(26)7-20(22)29/h2-9H,10H2,1H3,(H,30,32)(H,31,35)(H2,33,34,36)"	""	""	""
"1363"	"luzindole"	""	"Synthetic organic"	""	""	""	""	"135650539"	"122162"	""	""	"CHEMBL286615"	""	""	""	""	"N-[2-[2-(phenylmethyl)-1H-indol-3-yl]ethyl]acetamide"	""	"2-benzyl-N-acetyltryptamine|N0774"	"CC(=O)NCCc1c(Cc2ccccc2)[nH]c2c1cccc2"	"WVVXBPKOIZGVNS-UHFFFAOYSA-N"	"InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)"	""	""	""
"9442"	"LV-2172"	""	"Peptide"	""	""	""	""	"329968382"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10252"	"LV-2186"	""	"Peptide"	""	""	""	""	"381744934"	"0"	""	""	""	""	""	""	""	""	""	"compound 5b"	""	""	""	""	""	""
"12420"	"LV-2211"	""	"Peptide"	""	""	""	""	"479821211"	"0"	""	""	""	""	""	""	""	""	""	"[Tic22]26RFa<sub>(20-26)</sub>|analog 28 [PMID: 34299587]"	""	""	""	""	""	""
"4794"	"L-valine"	""	"Metabolite"	""	""	""	""	"178101496"	"6287"	""	""	"CHEMBL43068"	""	""	""	""	"(2S)-2-amino-3-methylbutanoic acid"	"valine"	"L-Val"	"N[C@H](C(=O)O)C(C)C"	"KZSNJWFQEVHDMF-BYPYZUCNSA-N"	"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1"	""	""	""
"4750"	"L-valinol"	""	"Synthetic organic"	""	""	""	""	"178101460"	"640993"	""	""	""	""	""	""	""	"(2S)-2-amino-3-methylbutan-1-ol"	""	""	"OC[C@H](C(C)C)N"	"NWYYWIJOWOLJNR-RXMQYKEDSA-N"	"InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1"	""	""	""
"2172"	"LVP"	"Pig"	"Peptide"	""	""	""	""	"135652273"	"644076"	"P01183"	""	"CHEMBL1200690"	""	""	""	""	"(2S)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide"	""	"[Lys<sup>8</sup>]-vasopressin|[Lys<sup>8</sup>]AVP|lysine vasopressin|syntopressin"	"NCCCC[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CCC(=O)N)Cc1ccccc1"	"BJFIDCADFRDPIO-DZCXQCEKSA-N"	"InChI=1S/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1"	""	""	""
"5353"	"LVV-hemorphin"	"Human"	"Peptide"	""	""	""	""	"178102015"	"126532"	"P68871"	"ENSG00000244734"	""	""	""	""	""	""	""	""	"CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)C(C)C)C(C)C"	"NBQSSMDPPLHNDC-GSOGOTFGSA-N"	"InChI=1S/C65H93N15O14/c1-34(2)29-43(66)55(84)77-53(36(5)6)61(90)78-52(35(3)4)60(89)75-48(30-39-21-23-41(82)24-22-39)63(92)80-28-14-20-50(80)59(88)74-47(32-40-33-71-44-18-12-11-17-42(40)44)58(87)79-54(37(7)81)62(91)73-46(25-26-51(67)83)57(86)72-45(19-13-27-70-65(68)69)56(85)76-49(64(93)94)31-38-15-9-8-10-16-38/h8-12,15-18,21-24,33-37,43,45-50,52-54,71,81-82H,13-14,19-20,25-32,66H2,1-7H3,(H2,67,83)(H,72,86)(H,73,91)(H,74,88)(H,75,89)(H,76,85)(H,77,84)(H,78,90)(H,79,87)(H,93,94)(H4,68,69,70)/t37-,43+,45+,46+,47+,48+,49+,50+,52+,53+,54+/m1/s1"	""	""	""
"9940"	"LW106"	""	"Synthetic organic"	""	""	""	""	"363894234"	"137253428"	""	""	""	""	""	""	""	"4-[(E)-(2,3-dihydro-1H-isoindol-2-yl)(hydroxyimino)methyl]-1,2,5-oxadiazol-3-amine"	""	""	"O/N=C(\c1nonc1N)/N1Cc2c(C1)cccc2"	"QHVIXMMITPHBSL-ACCUITESSA-N"	"InChI=1S/C11H11N5O2/c12-10-9(14-18-15-10)11(13-17)16-5-7-3-1-2-4-8(7)6-16/h1-4,17H,5-6H2,(H2,12,15)/b13-11+"	"yes"	""	""
"11177"	"LW-213"	""	"Synthetic organic"	""	""	""	""	"434122237"	"145978851"	""	""	"CHEMBL4207919"	""	""	""	""	"8-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenyl-7-phenylmethoxychromen-4-one"	""	"compound 18c [PMID: 28987604]|LW213"	"CN(CCCOc1c(OCc2ccccc2)cc(c2c1oc(cc2=O)c1ccccc1)O)C"	"CZZGXKYKSUTFEU-UHFFFAOYSA-N"	"InChI=1S/C27H27NO5/c1-28(2)14-9-15-31-26-24(32-18-19-10-5-3-6-11-19)17-22(30)25-21(29)16-23(33-27(25)26)20-12-7-4-8-13-20/h3-8,10-13,16-17,30H,9,14-15,18H2,1-2H3"	""	""	""
"13116"	"LWY713"	""	"Synthetic organic"	""	""	""	""	"491299898"	"169450509"	""	""	""	""	""	""	""	"3-[4-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide"	""	"compound 13ba [PMID: 38007910]|LWY-713"	"CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C(=O)COC5=CC=CC6=C5CN(C6=O)C7CCC(=O)NC7=O)OC)NC8CCOCC8"	"RVOJNJLWNBVPOR-UHFFFAOYSA-N"	"InChI=1S/C43H54N10O8/c1-3-31-40(45-26-13-21-60-22-14-26)49-41(38(47-31)39(44)56)46-27-7-8-32(35(23-27)59-2)51-15-11-28(12-16-51)50-17-19-52(20-18-50)37(55)25-61-34-6-4-5-29-30(34)24-53(43(29)58)33-9-10-36(54)48-42(33)57/h4-8,23,26,28,33H,3,9-22,24-25H2,1-2H3,(H2,44,56)(H2,45,46,49)(H,48,54,57)"	""	""	""
"9851"	"LX2931"	""	"Synthetic organic"	""	""	""	""	"363894145"	"136034475"	""	""	"CHEMBL1852164"	""	""	""	""	"(1R,2S,3R)-1-[(2E)-2-(1-nitrosoethylidene)-1,3-dihydroimidazol-4-yl]butane-1,2,3,4-tetrol"	""	"LX3305"	"C/C(=c/1\[nH]c(c[nH]1)[C@H]([C@@H]([C@@H](CO)O)O)O)/N=O"	"CGJLPLVZAAEKTK-LIVYHJONSA-N"	"InChI=1S/C9H15N3O5/c1-4(12-17)9-10-2-5(11-9)7(15)8(16)6(14)3-13/h2,6-8,10-11,13-16H,3H2,1H3/b9-4+/t6-,7-,8-/m1/s1"	"yes"	""	""
"1034"	"LXA<sub>4</sub>"	""	"Metabolite"	""	""	""	""	"135651504"	"5280914"	""	""	"CHEMBL392438"	""	""	""	""	"(5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid"	""	"5,6,15-triHETE|lipoxin A<sub>4</sub>"	"CCCCC[C@@H](/C=C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)O)O"	"IXAQOQZEOGMIQS-SSQFXEBMSA-N"	"InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1"	""	""	""
"5216"	"LXB<sub>4</sub>"	""	"Metabolite"	""	""	""	""	"178101901"	"5280915"	""	""	""	""	""	""	""	"(5S,6E,8Z,10E,12E,14R,15S)-5,14,15-trihydroxyicosa-6,8,10,12-tetraenoic acid"	""	"lipoxin B<sub>4</sub>"	"CCCCC[C@@H]([C@@H](/C=C/C=C/C=C\C=C\[C@H](CCCC(=O)O)O)O)O"	"UXVRTOKOJOMENI-WLPVFMORSA-N"	"InChI=1S/C20H32O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,12-9+,15-10+/t17-,18+,19-/m1/s1"	"yes"	""	""
"4720"	"L-xylose"	""	"Metabolite"	""	""	""	""	"178101431"	"95259"	""	""	""	""	""	""	""	"(2S,3R,4S)-2,3,4,5-tetrahydroxypentanal"	""	""	"OC[C@@H]([C@H]([C@@H](C=O)O)O)O"	"PYMYPHUHKUWMLA-WISUUJSJSA-N"	"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m1/s1"	""	""	""
"178"	"LY063518"	""	"Synthetic organic"	""	""	""	""	"135650540"	"23786507"	""	""	""	""	""	""	""	"2-[(Z)-[(5-chlorothiophen-2-yl)-phenylmethylidene]amino]guanidine"	""	"LY 063518|LY-063518"	"NC(=N)N/N=C(\c1ccc(s1)Cl)/c1ccccc1"	"LXZSGGMOFNDLPW-WJDWOHSUSA-N"	"InChI=1S/C12H11ClN4S/c13-10-7-6-9(18-10)11(16-17-12(14)15)8-4-2-1-3-5-8/h1-7H,(H4,14,15,17)/b16-11-"	""	""	""
"179"	"LY108742"	""	"Synthetic organic"	""	""	""	""	"135650541"	"13878027"	""	""	"CHEMBL53958"	""	""	""	""	"3-hydroxybutan-2-yl 6,11-dimethyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxylate"	""	"LY 108742|LY-108742"	"CC(C(OC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C)C)O"	"YLCYDARNSJPGCV-UHFFFAOYSA-N"	"InChI=1S/C21H28N2O3/c1-12(24)13(2)26-21(25)15-8-17-16-6-5-7-18-20(16)14(10-22(18)3)9-19(17)23(4)11-15/h5-7,10,12-13,15,17,19,24H,8-9,11H2,1-4H3"	""	""	""
"6631"	"LY134046"	""	"Synthetic organic"	""	""	""	""	"178103244"	"121938"	""	""	"CHEMBL38681"	""	""	""	""	"8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine"	""	"LY 134046|LY-134046"	"Clc1ccc2c(c1Cl)CNCCC2"	"IADAQXMUWITWNG-UHFFFAOYSA-N"	"InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2"	""	""	""
"1351"	"LY 156735"	""	"Synthetic organic"	""	""	""	""	"135650542"	"219018"	""	""	""	""	""	""	""	"N-[(2R)-2-(6-chloro-5-methoxy-1H-indol-3-yl)propyl]acetamide"	""	"LY-156,735|LY-156735|LY156735|TIK-301"	"COc1cc2c(cc1Cl)[nH]cc2[C@H](CNC(=O)C)C"	"RKHCTAKUYDTFHE-QMMMGPOBSA-N"	"InChI=1S/C14H17ClN2O2/c1-8(6-16-9(2)18)11-7-17-13-5-12(15)14(19-3)4-10(11)13/h4-5,7-8,17H,6H2,1-3H3,(H,16,18)/t8-/m0/s1"	""	""	""
"18"	"LY 165,163"	""	"Synthetic organic"	""	""	""	""	"135650543"	"121930"	""	""	"CHEMBL1256693"	""	""	""	""	"4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]aniline"	""	"LY-165163|PAPP"	"Nc1ccc(cc1)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F"	"GAAKALASJNGQKD-UHFFFAOYSA-N"	"InChI=1S/C19H22F3N3/c20-19(21,22)16-2-1-3-18(14-16)25-12-10-24(11-13-25)9-8-15-4-6-17(23)7-5-15/h1-7,14H,8-13,23H2"	""	""	""
"3262"	"LY2033298"	""	"Synthetic organic"	""	""	""	""	"178100305"	"11536903"	""	""	""	""	""	""	""	"3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[4,5-e]pyridine-2-carboxamide"	""	"LY 2033298|LY-2033298"	"COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1"	"CTEGQKDJTBWFHW-UHFFFAOYSA-N"	"InChI=1S/C13H14ClN3O2S/c1-5-7-9(15)10(11(18)16-6-3-4-6)20-13(7)17-12(19-2)8(5)14/h6H,3-4,15H2,1-2H3,(H,16,18)"	""	""	""
"8989"	"LY2077855"	""	"Synthetic organic"	""	""	""	""	"310264767"	"9794910"	""	""	""	""	""	""	""	"5-[(4-fluorophenyl)methyl]-N,N-dimethyl-1H-1,2,3,4-tetrazole-1-carboxamide"	""	"example 66a [WO2009117444]"	"Fc1ccc(cc1)Cc1nnnn1C(=O)N(C)C"	"CKOZVEHVVHCMGD-UHFFFAOYSA-N"	"InChI=1S/C11H12FN5O/c1-16(2)11(18)17-10(13-14-15-17)7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3"	""	""	""
"3992"	"LY2087101"	""	"Synthetic organic"	""	""	""	""	"178100818"	"11964458"	""	""	""	""	""	""	""	"N-(4-fluorophenyl)-4-methyl-5-[(thiophen-3-yl)carbonyl]-1,3-thiazol-2-amine"	""	"LY 2087101|LY-2087101"	"Fc1ccc(cc1)Nc1nc(c(s1)C(=O)c1cscc1)C"	"PEAMDZVDNYENPN-UHFFFAOYSA-N"	"InChI=1S/C15H11FN2OS2/c1-9-14(13(19)10-6-7-20-8-10)21-15(17-9)18-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18)"	""	""	""
"7958"	"LY2090314"	""	"Synthetic organic"	""	""	""	""	"249565641"	"10029385"	""	""	"CHEMBL362558"	""	""	""	""	""	""	"LY-2090314"	"Fc1cc2CN(CCn3c2c(c1)c(c3)C1=C(C(=O)NC1=O)c1cnc2n1cccc2)C(=O)N1CCCCC1"	"HRJWTAWVFDCTGO-UHFFFAOYSA-N"	"InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)"	""	""	""
"8075"	"LY2109761"	""	"Synthetic organic"	""	""	""	""	"249565755"	"11655119"	""	""	"CHEMBL260015"	""	""	""	""	"7-(2-morpholin-4-ylethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)quinoline"	""	"LY 2109761|LY-2109761"	"O1CCN(CC1)CCOc1ccc2c(c1)nccc2c1c2CCCn2nc1c1ccccn1"	"IHLVSLOZUHKNMQ-UHFFFAOYSA-N"	"InChI=1S/C26H27N5O2/c1-2-9-27-22(4-1)26-25(24-5-3-11-31(24)29-26)21-8-10-28-23-18-19(6-7-20(21)23)33-17-14-30-12-15-32-16-13-30/h1-2,4,6-10,18H,3,5,11-17H2"	""	""	""
"6938"	"LY2119620"	""	"Synthetic organic"	""	""	""	""	"178103520"	"57664406"	""	""	""	""	""	""	""	"3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide"	""	"LY 2119620|LY-2119620"	"CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1"	"TYTGOXSAAQWLPJ-UHFFFAOYSA-N"	"InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27)"	""	""	""
"180"	"LY215840"	""	"Synthetic organic"	""	""	""	""	"135650544"	"132049"	""	""	""	""	""	""	""	"(4R,7R)-N-[(1S,2R)-2-hydroxycyclopentyl]-6-methyl-11-(propan-2-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide"	""	"LY 215840|LY-215,840|LY-215840"	"CN1C[C@@H](CC2[C@H]1Cc1cn(c3c1c2ccc3)C(C)C)C(=O)N[C@H]1CCC[C@H]1O"	"IMSDOBUYDTVEHN-LUKLFJNJSA-N"	"InChI=1S/C24H33N3O2/c1-14(2)27-13-15-11-21-18(17-6-4-8-20(27)23(15)17)10-16(12-26(21)3)24(29)25-19-7-5-9-22(19)28/h4,6,8,13-14,16,18-19,21-22,28H,5,7,9-12H2,1-3H3,(H,25,29)/t16-,18?,19+,21-,22-/m1/s1"	""	""	""
"4243"	"LY233053"	""	"Synthetic organic"	""	""	""	""	"178101060"	"3035974"	""	""	"CHEMBL173031"	""	""	""	""	"(2R,4S)-4-(1H-1,2,3,4-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid"	""	"LY 233053|LY-233053"	"OC(=O)[C@@H]1NCC[C@@H](C1)Cc1nnn[nH]1"	"FAAVTENFCLADRE-NTSWFWBYSA-N"	"InChI=1S/C8H13N5O2/c14-8(15)6-3-5(1-2-9-6)4-7-10-12-13-11-7/h5-6,9H,1-4H2,(H,14,15)(H,10,11,12,13)/t5-,6+/m0/s1"	""	""	""
"4244"	"LY233536"	""	"Synthetic organic"	""	""	""	""	"178101061"	"126239"	""	""	""	""	""	""	""	"(3R,4aS,6R,8aS)-6-(1H-1,2,3,4-tetrazol-5-ylmethyl)-decahydroisoquinoline-3-carboxylic acid"	""	"LY 233536|LY-233536"	"OC(=O)[C@@H]1NC[C@@H]2[C@H](C1)C[C@@H](CC2)Cc1nnn[nH]1"	"ACTONBBIVMTUAJ-DOLQZWNJSA-N"	"InChI=1S/C12H19N5O2/c18-12(19)10-5-9-3-7(1-2-8(9)6-13-10)4-11-14-16-17-15-11/h7-10,13H,1-6H2,(H,18,19)(H,14,15,16,17)/t7-,8-,9+,10-/m1/s1"	""	""	""
"4712"	"LY2365109"	""	"Synthetic organic"	""	""	""	""	"178101423"	"11552757"	""	""	"CHEMBL1628564"	""	""	""	""	"2-({2-[4-(2H-1,3-benzodioxol-5-yl)-2-tert-butylphenoxy]ethyl}(methyl)amino)acetic acid"	""	"LY 2365109|LY-2365109"	"CN(CC(=O)O)CCOc1ccc(cc1C(C)(C)C)c1ccc2c(c1)OCO2"	"FKPLJWGRBCQLTL-UHFFFAOYSA-N"	"InChI=1S/C22H27NO5/c1-22(2,3)17-11-15(16-6-8-19-20(12-16)28-14-27-19)5-7-18(17)26-10-9-23(4)13-21(24)25/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,24,25)"	""	""	""
"9694"	"LY2389575"	""	"Synthetic organic"	""	""	""	""	"348353653"	"11503055"	""	""	"CHEMBL2204436"	""	""	""	""	"(3S)-1-(5-bromopyrimidin-2-yl)-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine"	""	"LY 2389575|LY-2389575"	"Clc1ccc(c(c1)Cl)CN[C@H]1CCN(C1)c1ncc(cn1)Br"	"PXQNLQLMRMROSB-ZDUSSCGKSA-N"	"InChI=1S/C15H15BrCl2N4/c16-11-7-20-15(21-8-11)22-4-3-13(9-22)19-6-10-1-2-12(17)5-14(10)18/h1-2,5,7-8,13,19H,3-4,6,9H2/t13-/m0/s1"	""	""	""
"3351"	"LY255283"	""	"Synthetic organic"	""	""	""	""	"178100381"	"35025716"	""	""	""	""	""	""	""	"1-(2-ethyl-5-hydroxy-3-{[6-methyl-6-(1H-1,2,3,4-tetrazol-5-yl)heptyl]oxy}phenyl)ethan-1-one"	""	"CGS 23356|LY 255283|LY-255283"	"CCc1c(OCCCCCC(c2nnn[nH]2)(C)C)cc(cc1C(=O)C)O"	"VSDBVKWYFGKZPY-UHFFFAOYSA-N"	"InChI=1S/C19H28N4O3/c1-5-15-16(13(2)24)11-14(25)12-17(15)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)"	"yes"	""	""
"8248"	"LY2584702"	""	"Synthetic organic"	""	""	""	""	"249565928"	"25118925"	""	""	""	""	""	""	""	"4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine"	""	"LY 2584702|LY-2584702"	"Cn1cc(nc1C1CCN(CC1)c1ncnc2c1cn[nH]2)c1ccc(c(c1)C(F)(F)F)F"	"FYXRSVDHGLUMHB-UHFFFAOYSA-N"	"InChI=1S/C21H19F4N7/c1-31-10-17(13-2-3-16(22)15(8-13)21(23,24)25)29-19(31)12-4-6-32(7-5-12)20-14-9-28-30-18(14)26-11-27-20/h2-3,8-12H,4-7H2,1H3,(H,26,27,28,30)"	""	""	""
"3509"	"LY262691"	""	"Synthetic organic"	""	""	""	""	"178100495"	"2802894"	""	""	"CHEMBL333081"	""	""	""	""	"(4S,5R)-N-(4-bromophenyl)-3-oxo-4,5-diphenylpyrazolidine-1-carboxamide"	""	"LY-262691|LY-288513"	"Brc1ccc(cc1)NC(=O)N1NC(=O)[C@H]([C@@H]1c1ccccc1)c1ccccc1"	"LMUQHXHWJWQXSD-PMACEKPBSA-N"	"InChI=1S/C22H18BrN3O2/c23-17-11-13-18(14-12-17)24-22(28)26-20(16-9-5-2-6-10-16)19(21(27)25-26)15-7-3-1-4-8-15/h1-14,19-20H,(H,24,28)(H,25,27)/t19-,20-/m0/s1"	""	""	""
"6936"	"LY2811376"	""	"Synthetic organic"	""	""	""	""	"178103518"	"44251605"	""	""	"CHEMBL2333941"	""	""	""	""	"(4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine"	""	"LY 2811376|LY-2811376"	"NC1=N[C@](CCS1)(C)c1cc(c2cncnc2)c(cc1F)F"	"MJQMRGWYPNIERM-HNNXBMFYSA-N"	"InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1"	""	""	""
"12751"	"LY2828360"	""	"Synthetic organic"	""	""	""	""	"483123299"	"46833780"	""	""	"CHEMBL3139186"	""	""	""	""	"8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-(oxan-4-yl)purin"	""	"compound 26 [PMID: 23795771]|LY-2828360"	"CC1=NC2=C(C(=N1)N3CCN(CC3)C)N=C(N2C4CCOCC4)C5=CC=CC=C5Cl"	"UCMNDPDJRSEZPL-UHFFFAOYSA-N"	"InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3"	""	""	""
"8104"	"LY2874455"	""	"Synthetic organic"	""	""	""	""	"249565784"	"46944259"	""	""	""	""	""	""	""	"2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol"	""	"LY-2874455"	"OCCn1ncc(c1)/C=C/c1n[nH]c2c1cc(cc2)O[C@@H](c1c(Cl)cncc1Cl)C"	"GKJCVYLDJWTWQU-CXLRFSCWSA-N"	"InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1"	""	""	""
"902"	"LY-288513"	""	"Synthetic organic"	""	""	""	""	"135650545"	"6956374"	""	""	"CHEMBL117281"	""	""	""	""	"(4R,5S)-N-(4-bromophenyl)-3-oxo-4,5-diphenylpyrazolidine-1-carboxamide"	""	"LY-288512"	"Brc1ccc(cc1)NC(=O)N1NC(=O)[C@@H]([C@H]1c1ccccc1)c1ccccc1"	"LMUQHXHWJWQXSD-WOJBJXKFSA-N"	"InChI=1S/C22H18BrN3O2/c23-17-11-13-18(14-12-17)24-22(28)26-20(16-9-5-2-6-10-16)19(21(27)25-26)15-7-3-1-4-8-15/h1-14,19-20H,(H,24,28)(H,25,27)/t19-,20-/m1/s1"	""	""	""
"6475"	"LY2886721"	""	"Synthetic organic"	""	""	""	""	"178103089"	"49837968"	""	""	"CHEMBL2396989"	""	""	""	""	"N-{3-[(4aS,7aS)-2-amino-4H,4aH,5H,7H,7aH-furo[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide"	""	"LY 2886721|LY-2886721"	"Fc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]12COC[C@H]2CSC(=N1)N)F"	"NIDRNVHMMDAAIK-YPMLDQLKSA-N"	"InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1"	""	""	""
"8416"	"LY2928057"	""	"Antibody"	""	""	""	""	"252166626"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"19"	"LY293284"	""	"Synthetic organic"	""	""	""	""	"135650546"	"132345"	""	""	""	""	""	""	""	"1-[(6R)-6-(dipropylamino)-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),3,8(12),9-tetraen-9-yl]ethan-1-one"	""	"LY 293284|LY-293,284|LY-293284"	"CCCN([C@H]1Cc2c[nH]c3c2c(C1)c(cc3)C(=O)C)CCC"	"CKYZLYQSDNLGPT-HNNXBMFYSA-N"	"InChI=1S/C19H26N2O/c1-4-8-21(9-5-2)15-10-14-12-20-18-7-6-16(13(3)22)17(11-15)19(14)18/h6-7,12,15,20H,4-5,8-11H2,1-3H3/t15-/m0/s1"	""	""	""
"6004"	"LY 294002"	""	"Synthetic organic"	""	""	""	""	"178102626"	"3973"	""	""	"CHEMBL98350"	""	""	""	""	"2-(morpholin-4-yl)-8-phenyl-4H-chromen-4-one"	""	"LY-294002|LY294002|SF 1101"	"O=c1cc(oc2c1cccc2c1ccccc1)N1CCOCC1"	"CZQHHVNHHHRRDU-UHFFFAOYSA-N"	"InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2"	""	""	""
"9462"	"LY2940094"	""	"Synthetic organic"	""	""	""	""	"329968402"	"52914971"	""	""	"CHEMBL3304244"	""	""	""	""	"[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridin-3-yl]methanol"	""	"BTRX-246040|compound 36 [PMID: 24678969]|LY-2940094"	"OCc1cccnc1n1nc(c(c1)CN1CCC2(CC1)OCC(c1c2sc(c1)Cl)(F)F)C"	"NKQHBJNRBKHUQR-UHFFFAOYSA-N"	"InChI=1S/C22H23ClF2N4O2S/c1-14-16(11-29(27-14)20-15(12-30)3-2-6-26-20)10-28-7-4-21(5-8-28)19-17(9-18(23)32-19)22(24,25)13-31-21/h2-3,6,9,11,30H,4-5,7-8,10,12-13H2,1H3"	""	""	""
"14314"	"LY3000328"	""	"Synthetic organic"	""	""	""	""	"523352106"	"67475270"	""	""	"CHEMBL3342553"	""	""	""	""	"[(3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl] N-methylcarbamate"	""	"compound 5 [PMID: 25313327]|LY-3000328|Z-FL-COCHO"	"CNC(=O)O[C@H]1COC2=C([C@@H]1NC(=O)C3=CC=C(C=C3)F)C=C(C=C2)N4CCN(CC4)C5COC5"	"NDEBZCZEAVMSQF-GOTSBHOMSA-N"	"InChI=1S/C25H29FN4O5/c1-27-25(32)35-22-15-34-21-7-6-18(29-8-10-30(11-9-29)19-13-33-14-19)12-20(21)23(22)28-24(31)16-2-4-17(26)5-3-16/h2-7,12,19,22-23H,8-11,13-15H2,1H3,(H,27,32)(H,28,31)/t22-,23-/m0/s1"	""	""	""
"8943"	"LY3009120"	""	"Synthetic organic"	""	""	""	""	"310264724"	"71721540"	""	""	""	""	""	""	""	"1-(3,3-dimethylbutyl)-3-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]urea"	""	"LY-3009120"	"CNc1ncc2c(n1)nc(c(c2)c1cc(NC(=O)NCCC(C)(C)C)c(cc1C)F)C"	"HHCBMISMPSAZBF-UHFFFAOYSA-N"	"InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30)"	""	""	""
"6909"	"LY301875"	""	"Synthetic organic"	""	""	""	""	"178103491"	"73755246"	""	""	""	""	""	""	""	"(2S,4S)-4-(4-carboxyphenoxy)-1-[(2S)-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid"	""	"LY 301875|LY-301875"	"CCCCCC[C@@H](C(=O)N1C[C@H](C[C@H]1C(=O)O)Oc1ccc(cc1)C(=O)O)n1cnc(c1)NC(=O)c1ccccc1S(=O)(=O)O"	"HHFYOGBTLFTWQX-XWGVYQGASA-N"	"InChI=1S/C30H34N4O10S/c1-2-3-4-5-9-23(33-17-26(31-18-33)32-27(35)22-8-6-7-10-25(22)45(41,42)43)28(36)34-16-21(15-24(34)30(39)40)44-20-13-11-19(12-14-20)29(37)38/h6-8,10-14,17-18,21,23-24H,2-5,9,15-16H2,1H3,(H,32,35)(H,37,38)(H,39,40)(H,41,42,43)/t21-,23-,24-/m0/s1"	""	""	""
"9109"	"LY3022855"	""	"Antibody"	""	""	""	""	"315661194"	"0"	""	""	""	""	""	""	""	""	""	"IMC-CS4"	""	""	""	"yes"	""	""
"12211"	"LY3023703"	""	"Synthetic organic"	""	""	""	""	"472319331"	"71059525"	""	""	"CHEMBL3342693"	""	""	""	""	"2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide"	""	"compound 9 [PMID: 25260492]"	"Cc1c(nc([nH]1)NC(=O)c1c(ncc(c1)CNC(=O)C(C)C)C(F)F)c1ccc(cc1)C(F)(F)F"	"BZYSILFNUIGABU-UHFFFAOYSA-N"	"InChI=1S/C23H22F5N5O2/c1-11(2)20(34)30-10-13-8-16(18(19(24)25)29-9-13)21(35)33-22-31-12(3)17(32-22)14-4-6-15(7-5-14)23(26,27)28/h4-9,11,19H,10H2,1-3H3,(H,30,34)(H2,31,32,33,35)"	"yes"	""	""
"6910"	"LY303336"	""	"Synthetic organic"	""	""	""	""	"178103492"	"10416728"	""	""	"CHEMBL344662"	""	""	""	""	"(2S,4S)-4-(4-carboxyphenoxy)-1-[(2R)-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid"	""	"LY 303336|LY-303336"	"CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)O)Oc1ccc(cc1)C(=O)O)n1cnc(c1)NC(=O)c1ccccc1S(=O)(=O)O"	"HHFYOGBTLFTWQX-QTJGBDASSA-N"	"InChI=1S/C30H34N4O10S/c1-2-3-4-5-9-23(33-17-26(31-18-33)32-27(35)22-8-6-7-10-25(22)45(41,42)43)28(36)34-16-21(15-24(34)30(39)40)44-20-13-11-19(12-14-20)29(37)38/h6-8,10-14,17-18,21,23-24H,2-5,9,15-16H2,1H3,(H,32,35)(H,37,38)(H,39,40)(H,41,42,43)/t21-,23+,24-/m0/s1"	""	""	""
"6005"	"LY 303511"	""	"Synthetic organic"	""	""	""	""	"178102627"	"3971"	""	""	"CHEMBL1363184"	""	""	""	""	"8-phenyl-2-(piperazin-1-yl)-4H-chromen-4-one"	""	"LY-303511|LY303511"	"O=c1cc(oc2c1cccc2c1ccccc1)N1CCNCC1"	"NGAGMBNBKCDCDJ-UHFFFAOYSA-N"	"InChI=1S/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2"	""	""	""
"3350"	"LY307452"	""	"Synthetic organic"	""	""	""	""	"178100380"	"6324634"	""	""	"CHEMBL39338"	""	""	""	""	"(2S,4S)-2-amino-4-(4,4-diphenylbutyl)pentanedioic acid"	""	"LY 307452|LY-307,452|LY-307452"	"N[C@H](C(=O)O)C[C@@H](C(=O)O)CCCC(c1ccccc1)c1ccccc1"	"DWLOVDOPFJPWNE-HKUYNNGSSA-N"	"InChI=1S/C21H25NO4/c22-19(21(25)26)14-17(20(23)24)12-7-13-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,22H2,(H,23,24)(H,25,26)/t17-,19-/m0/s1"	""	""	""
"13560"	"LY310762"	""	"Synthetic organic"	""	""	""	""	"500839970"	"4282258"	""	""	"CHEMBL1400238"	""	""	""	""	"1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3,3-dimethylindol-2-one"	""	"LY-310,762|LY-310762"	"CC1(C2=CC=CC=C2N(C1=O)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C"	"KDXISMANFPJVJY-UHFFFAOYSA-N"	"InChI=1S/C24H27FN2O2/c1-24(2)20-5-3-4-6-21(20)27(23(24)29)16-15-26-13-11-18(12-14-26)22(28)17-7-9-19(25)10-8-17/h3-10,18H,11-16H2,1-2H3"	""	""	""
"181"	"LY314228"	""	"Synthetic organic"	""	""	""	""	"135650547"	"9976312"	""	""	""	""	""	""	""	"2-[[4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]phenyl]methylideneamino]guanidine"	""	"LY 314228|LY-314228"	"CCCc1c(COc2ccc(cc2)/C=N/N=C(N)N)ccc(c1O)C(=O)C"	"TUXHQPAMNGTVLT-FOKLQQMPSA-N"	"InChI=1S/C20H24N4O3/c1-3-4-18-15(7-10-17(13(2)25)19(18)26)12-27-16-8-5-14(6-9-16)11-23-24-20(21)22/h5-11,26H,3-4,12H2,1-2H3,(H4,21,22,24)/b23-11+"	""	""	""
"11938"	"LY3154885"	""	"Synthetic organic"	""	""	""	""	"461663493"	"146192952"	""	""	""	""	""	""	""	""	""	"compound 5 [PMID: 35175768]|LY-3154885"	"C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl"	"MJDOWJUPBHLXIH-GOEBONIOSA-N"	"InChI=1S/C23H23Cl2N3O2/c1-14-17-5-3-6-18(15-11-26-27(2)12-15)19(17)9-16(13-29)28(14)23(30)10-20-21(24)7-4-8-22(20)25/h3-8,11-12,14,16,29H,9-10,13H2,1-2H3/t14-,16+/m0/s1"	""	""	""
"742"	"LY320135"	""	"Synthetic organic"	""	""	""	""	"135650548"	"5311257"	""	""	"CHEMBL411481"	""	""	""	""	"4-[6-methoxy-2-(4-methoxyphenyl)1-benzofuran-3-carbonyl]benzonitrile"	""	"LY 320135|LY-320135"	"COc1ccc2c(c1)oc(c2C(=O)c1ccc(cc1)C#N)c1ccc(cc1)OC"	"RYNSGDFWBJWWSZ-UHFFFAOYSA-N"	"InChI=1S/C24H17NO4/c1-27-18-9-7-17(8-10-18)24-22(20-12-11-19(28-2)13-21(20)29-24)23(26)16-5-3-15(14-25)4-6-16/h3-13H,1-2H3"	""	""	""
"11557"	"LY3202626"	""	"Synthetic organic"	""	""	""	""	"441604929"	"78210254"	""	""	"CHEMBL4452566"	""	""	""	""	""	""	"compound 22 [PMID: 34081466]|LY-3202626"	"COc1c[n]c(c[n]1)C(=O)Nc1ccc(c(c1)[C@]12N=C(N)SC[C@@H]2CN(C1)c1[n]cc(c[n]1)F)F"	"VQSRKMNBWMHJKY-YTEVENLXSA-N"	"InChI=1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1"	""	""	""
"182"	"LY320954"	""	"Synthetic organic"	""	""	""	""	"135650549"	"10385240"	""	""	""	""	""	""	""	"2-[[4-[(3-hydroxy-4-propanoyl-2-propylphenyl)methoxy]phenyl]methylideneamino]guanidine"	""	"LY-320954|PDSP1_001629|PDSP2_001613"	"CCCc1c(COc2ccc(cc2)/C=N/N=C(N)N)ccc(c1O)C(=O)CC"	"TUJFUBGJRSXFHG-WYMPLXKRSA-N"	"InChI=1S/C21H26N4O3/c1-3-5-17-15(8-11-18(20(17)27)19(26)4-2)13-28-16-9-6-14(7-10-16)12-24-25-21(22)23/h6-12,27H,3-5,13H2,1-2H3,(H4,22,23,25)/b24-12+"	""	""	""
"231"	"LY334362"	""	"Synthetic organic"	""	""	""	""	"135650550"	"23786508"	""	""	""	""	""	""	""	"2-[(E)-({3-[(4-benzoylphenyl)methoxy]phenyl}methylidene)amino]guanidine"	""	"LY 334362|LY-334362"	"NC(=N/N=C/c1cccc(c1)OCc1ccc(cc1)C(=O)c1ccccc1)N"	"ROCDIHAUKUGXMY-AFUMVMLFSA-N"	"InChI=1S/C22H20N4O2/c23-22(24)26-25-14-17-5-4-8-20(13-17)28-15-16-9-11-19(12-10-16)21(27)18-6-2-1-3-7-18/h1-14H,15H2,(H4,23,24,26)/b25-14+"	""	""	""
"20"	"LY334370"	""	"Synthetic organic"	""	""	""	""	"135650551"	"5311258"	""	""	"CHEMBL101690"	""	""	""	""	"4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide"	""	"LY 334370|LY-334,370|LY-334370"	"CN1CCC(CC1)c1c[nH]c2c1cc(cc2)NC(=O)c1ccc(cc1)F"	"MDMJLMDBRQXOOI-UHFFFAOYSA-N"	"InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)"	""	""	""
"4246"	"LY339434"	""	"Synthetic organic"	""	""	""	""	"178101063"	"69636646"	""	""	""	""	""	""	""	"2-amino-4-[(2E)-3-(naphthalen-2-yl)prop-2-en-1-yl]pentanedioic acid"	""	"LY 339434|LY-339434"	"OC(=O)C(CC(C(=O)O)N)C/C=C/c1ccc2c(c1)cccc2"	"KNAYYBRIBNEIAL-ONEGZZNKSA-N"	"InChI=1S/C18H19NO4/c19-16(18(22)23)11-15(17(20)21)7-3-4-12-8-9-13-5-1-2-6-14(13)10-12/h1-6,8-10,15-16H,7,11,19H2,(H,20,21)(H,22,23)/b4-3+"	""	""	""
"11356"	"LY3405105"	""	"Synthetic organic"	""	""	""	""	"440816725"	"138608760"	""	""	""	""	""	""	""	"(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl 4-{[5-methyl-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}piperidine-1-carboxylate"	""	""	"CN(C/C=C/C(=O)N1CC[C@@H](C1)OC(=O)N1CCC(CC1)Nc1cc(C)nc2n1ncc2C(C)C)C"	"GRDAHPJRLCTJNA-BXKJMJEDSA-N"	"InChI=1S/C26H39N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h6-7,15-16,18,20-21,29H,8-14,17H2,1-5H3/b7-6+/t21-/m0/s1"	""	""	""
"12340"	"LY3410738"	""	"Synthetic organic"	""	""	""	""	"479821131"	"135125140"	""	""	""	""	""	""	""	"7-[[(1S)-1-[4-[(1S)-2-cyclopropyl-1-(4-prop-2-enoylpiperazin-1-yl)ethyl]phenyl]ethyl]amino]-1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one"	""	"example 2 [US11001596B2]|LY-3410738"	"CCN1c2nc(ncc2COC1=O)N[C@@H](C)c1ccc(cc1)[C@H](CC1CC1)N1CCN(CC1)C(=O)C=C"	"AFGYODUJVVOZAX-CYFREDJKSA-N"	"InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1"	""	""	""
"1378"	"LY341495"	""	"Synthetic organic"	""	""	""	""	"135650552"	"9819927"	""	""	"CHEMBL432038"	""	""	""	""	""	""	"LY 341495|LY-341,495|LY-341495"	"OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N"	"VLZBRVJVCCNPRJ-KPHUOKFYSA-N"	"InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1"	""	""	""
"21"	"LY344864"	""	"Synthetic organic"	""	""	""	""	"135650553"	"18971832"	""	""	"CHEMBL3186179"	""	""	""	""	"N-(6-dimethylamino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-4-fluorobenzamide"	""	"LY 344864|LY-344864"	"CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C"	"GKWHICIUSVVNGX-UHFFFAOYSA-N"	"InChI=1S/C21H22FN3O/c1-25(2)16-8-10-20-18(12-16)17-11-15(7-9-19(17)24-20)23-21(26)13-3-5-14(22)6-4-13/h3-7,9,11,16,24H,8,10,12H2,1-2H3,(H,23,26)"	""	""	""
"12843"	"LY3463251"	""	"Peptide"	""	""	""	""	"483123391"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"12066"	"LY3499446"	""	"Synthetic organic"	""	""	""	""	"472319188"	"146472812"	""	""	""	""	""	""	""	"1-[4-[7-(2-amino-7-fluoro-1,3-benzothiazol-4-yl)-6-chloro-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one"	""	"compound B [WO2022002018A1]|LY-3499446"	"C=CC(=O)N1CCN(CC1)c1ncnc2c(c(c(cc12)Cl)c1c2c(c(cc1)F)sc(n2)N)F"	"YNBBKDMAVRSYRE-UHFFFAOYSA-N"	"InChI=1S/C22H17ClF2N6OS/c1-2-15(32)30-5-7-31(8-6-30)21-12-9-13(23)16(17(25)18(12)27-10-28-21)11-3-4-14(24)20-19(11)29-22(26)33-20/h2-4,9-10H,1,5-8H2,(H2,26,29)"	""	""	""
"13164"	"LY3509754"	""	"Synthetic organic"	""	""	""	""	"491299946"	"154642729"	""	""	""	""	""	""	""	""	""	""	"COC[C@@H](N1C[C@H](NC1=O)C(F)(F)F)C2=CC3=NC(=CN3N=C2)[C@@H](NC(=O)C4=NON=C4C)C5CCC(F)(F)CC5"	"MVWVCLAORBNXSD-UWVAXJGDSA-N"	"InChI=1S/C24H27F5N8O4/c1-12-19(35-41-34-12)21(38)33-20(13-3-5-23(25,26)6-4-13)15-9-37-18(31-15)7-14(8-30-37)16(11-40-2)36-10-17(24(27,28)29)32-22(36)39/h7-9,13,16-17,20H,3-6,10-11H2,1-2H3,(H,32,39)(H,33,38)/t16-,17+,20+/m1/s1"	"yes"	""	""
"13033"	"LY3522348"	""	"Synthetic organic"	""	""	""	""	"485206154"	"155385439"	""	""	""	""	""	""	""	"2-[4-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone"	""	"compound 23 [PMID: 37992274]|LY-3522348"	"C[C@@H]1N(CC1)C2=NC(=CC(=N2)C=3C=NN(C3)CC(=O)N4CCNCC4)C(F)(F)F"	"HAUDFIFEGDNKJX-LBPRGKRZSA-N"	"InChI=1S/C18H22F3N7O/c1-12-2-5-28(12)17-24-14(8-15(25-17)18(19,20)21)13-9-23-27(10-13)11-16(29)26-6-3-22-4-7-26/h8-10,12,22H,2-7,11H2,1H3/t12-/m0/s1"	""	""	""
"12502"	"LY3540378"	""	"Peptide"	""	""	""	""	"479821292"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"13682"	"LY3556050"	""	"Synthetic organic"	""	""	""	""	"507750316"	"86294067"	""	""	""	""	""	""	""	"(1S,5R)-N-[2-methyl-1-(3-methylpyridin-2-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide"	""	"Example 47 [WO2014184275A1]|Example XLVII [WO2014184275A1]|LY-3556050|mazisotine"	"CC1=C(N=CC=C1)OCC(C)(C)NC(=O)C2[C@H]3[C@@H]2CNC3"	"PCINBSQTEDBZDB-FUNVUKJBSA-N"	"InChI=1S/C16H23N3O2/c1-10-5-4-6-18-15(10)21-9-16(2,3)19-14(20)13-11-7-17-8-12(11)13/h4-6,11-13,17H,7-9H2,1-3H3,(H,19,20)/t11-,12+,13?"	""	""	""
"1379"	"LY367385"	""	"Synthetic organic"	""	""	""	""	"135650555"	"5311261"	""	""	"CHEMBL94631"	""	""	""	""	"4-[(1S)-1-amino-2-hydroxy-2-oxoethyl]-3-methylbenzoic acid"	""	"(+)-2-methyl-4-carboxyphenylglycine|LY 367385|LY-367385"	"OC(=O)c1ccc(c(c1)C)[C@@H](C(=O)O)N"	"SGIKDIUCJAUSRD-QMMMGPOBSA-N"	"InChI=1S/C10H11NO4/c1-5-4-6(9(12)13)2-3-7(5)8(11)10(14)15/h2-4,8H,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1"	""	""	""
"1394"	"LY379268"	""	"Synthetic organic"	""	""	""	""	"135650556"	"10197984"	""	""	"CHEMBL275079"	""	""	""	""	"(1S,2R,5R,6R)-2-amino-4-oxabicyclo[3.1.0]hexane-2,6-dicarboxylic acid"	""	"LY 379268|LY-379,268|LY-379268"	"OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O"	"YASVRZWVUGJELU-MDASVERJSA-N"	"InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1"	""	""	""
"4247"	"LY382884"	""	"Synthetic organic"	""	""	""	""	"178101064"	"656723"	""	""	"CHEMBL274226"	""	""	""	""	"(3S,4aR,6S,8aR)-6-[(4-carboxyphenyl)methyl]-decahydroisoquinoline-3-carboxylic acid"	""	"LY 382884|LY-382884"	"OC(=O)[C@H]1NC[C@H]2[C@@H](C1)C[C@H](CC2)Cc1ccc(cc1)C(=O)O"	"YVMADKYPKNLVGU-BVUBDWEXSA-N"	"InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1"	""	""	""
"3349"	"LY389795"	""	"Synthetic organic"	""	""	""	""	"178100379"	"10058694"	""	""	"CHEMBL88999"	""	""	""	""	"(4S,6S)-4-amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid"	""	"LY 389795|LY-389795"	"OC(=O)[C@H]1C2C1[C@](CS2)(N)C(=O)O"	"QBHIOYZCUZBIEN-RSWQVWFLSA-N"	"InChI=1S/C7H9NO4S/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3?,4?,7+/m1/s1"	""	""	""
"4248"	"LY392098"	""	"Synthetic organic"	""	""	""	""	"178101065"	"9927707"	""	""	"CHEMBL341748"	""	""	""	""	"N-{2-[4-(2-fluorophenyl)phenyl]propyl}propane-2-sulfonamide"	""	"LY 392098|LY-392098"	"CC(c1ccc(cc1)c1ccccc1F)CNS(=O)(=O)C(C)C"	"CECANHFDVPUVMI-UHFFFAOYSA-N"	"InChI=1S/C18H22FNO2S/c1-13(2)23(21,22)20-12-14(3)15-8-10-16(11-9-15)17-6-4-5-7-18(17)19/h4-11,13-14,20H,12H2,1-3H3"	""	""	""
"11614"	"LY395756"	""	"Synthetic organic"	""	""	""	""	"442878648"	"11310142"	""	""	"CHEMBL192051"	""	""	""	""	""	""	"(&plusmn;)-LY 395756|LY 395756|LY-395756|LY39"	"C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O"	"BQVZICWQBFTOJX-QNDZYWSYSA-N"	"InChI=1S/C9H13NO4/c1-3-2-9(10,8(13)14)6-4(3)5(6)7(11)12/h3-6H,2,10H2,1H3,(H,11,12)(H,13,14)/t3-,4+,5+,6+,9+/m1/s1"	""	""	""
"4249"	"LY404187"	""	"Synthetic organic"	""	""	""	""	"178101066"	"9928016"	""	""	"CHEMBL435582"	""	""	""	""	"N-{2-[4-(4-cyanophenyl)phenyl]propyl}propane-2-sulfonamide"	""	"LY 404187|LY-404,187|LY-404187"	"N#Cc1ccc(cc1)c1ccc(cc1)C(CNS(=O)(=O)C(C)C)C"	"HOQAVGZLYRYHSO-UHFFFAOYSA-N"	"InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3"	""	""	""
"3347"	"LY456066"	""	"Synthetic organic"	""	""	""	""	"178100377"	"9840951"	""	""	""	""	""	""	""	"2-({4-[(2,3-dihydro-1H-inden-2-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl}sulfanyl)ethan-1-ol"	""	"LY 456066|LY-456066"	"OCCSc1nc(NC2Cc3c(C2)cccc3)c2c(n1)CCCC2"	"VZJHTQZXSTXJNO-UHFFFAOYSA-N"	"InChI=1S/C19H23N3OS/c23-9-10-24-19-21-17-8-4-3-7-16(17)18(22-19)20-15-11-13-5-1-2-6-14(13)12-15/h1-2,5-6,15,23H,3-4,7-12H2,(H,20,21,22)"	""	""	""
"3346"	"LY456236"	""	"Synthetic organic"	""	""	""	""	"178100376"	"9926999"	""	""	"CHEMBL254575"	""	""	""	""	"6-methoxy-N-(4-methoxyphenyl)quinazolin-4-amine"	""	"LY 456236|LY-456236"	"COc1ccc(cc1)Nc1ncnc2c1cc(OC)cc2"	"XPJOMFBGKIABQW-UHFFFAOYSA-N"	"InChI=1S/C16H15N3O2/c1-20-12-5-3-11(4-6-12)19-16-14-9-13(21-2)7-8-15(14)17-10-18-16/h3-10H,1-2H3,(H,17,18,19)"	""	""	""
"2659"	"LY-465608"	""	"Synthetic organic"	""	""	""	""	"135650557"	"9890319"	""	""	"CHEMBL25259"	""	""	""	""	"2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoic acid"	""	"LY 465608|LY465608"	"Cc1oc(nc1CCOc1ccc(cc1)OC(C(=O)O)(C)C)c1ccc(cc1)c1ccccc1"	"JDJHTJNBMZSSLK-UHFFFAOYSA-N"	"InChI=1S/C28H27NO5/c1-19-25(17-18-32-23-13-15-24(16-14-23)34-28(2,3)27(30)31)29-26(33-19)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,30,31)"	""	""	""
"4250"	"LY466195"	""	"Synthetic organic"	""	""	""	""	"178101067"	"10168249"	""	""	""	""	""	""	""	"6-[(2-carboxy-4,4-difluoropyrrolidin-1-yl)methyl]-decahydroisoquinoline-3-carboxylic acid"	""	"LY 466195|LY-466195"	"OC(=O)C1NCC2C(C1)CC(CC2)CN1CC(CC1C(=O)O)(F)F"	"OXQXJYQSWZFDBB-UHFFFAOYSA-N"	"InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)"	""	""	""
"4251"	"LY503430"	""	"Synthetic organic"	""	""	""	""	"178101068"	"9952446"	""	""	""	""	""	""	""	"4-{4-[(2R)-2-fluoro-1-(propane-2-sulfonamido)propan-2-yl]phenyl}-N-methylbenzamide"	""	"LY 503430|LY-503,430|LY-503430"	"CNC(=O)c1ccc(cc1)c1ccc(cc1)[C@](CNS(=O)(=O)C(C)C)(F)C"	"MFJKNXILEXBWNQ-FQEVSTJZSA-N"	"InChI=1S/C20H25FN2O3S/c1-14(2)27(25,26)23-13-20(3,21)18-11-9-16(10-12-18)15-5-7-17(8-6-15)19(24)22-4/h5-12,14,23H,13H2,1-4H3,(H,22,24)/t20-/m0/s1"	""	""	""
"2657"	"LY-510929"	""	"Synthetic organic"	""	""	""	""	"135650558"	"9890585"	""	""	"CHEMBL77502"	""	""	""	""	"(2S)-2-methyl-3-[4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-(phenoxy)propanoic acid"	""	"LY 510929|LY510929"	"OC(=O)[C@@](Oc1ccccc1)(Cc1ccc(cc1)OCCc1nc(oc1C)c1cccs1)C"	"KWSPYUOBNIMILB-SANMLTNESA-N"	"InChI=1S/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29)/t26-/m0/s1"	""	""	""
"2658"	"LY-518674"	""	"Synthetic organic"	""	""	""	""	"135650559"	"135449333"	""	""	"CHEMBL424133"	""	""	""	""	"2-methyl-2-[4-[3-[1-[(4-methylphenyl)methyl]-5-oxo-2H-1,2,4-triazol-3-yl]propyl]phenoxy]propanoic acid"	""	"LY 518674|LY518674"	"Cc1ccc(cc1)Cn1[nH]c(nc1=O)CCCc1ccc(cc1)OC(C(=O)O)(C)C"	"PNHFDVSKDSLUFH-UHFFFAOYSA-N"	"InChI=1S/C23H27N3O4/c1-16-7-9-18(10-8-16)15-26-22(29)24-20(25-26)6-4-5-17-11-13-19(14-12-17)30-23(2,3)21(27)28/h7-14H,4-6,15H2,1-3H3,(H,27,28)(H,24,25,29)"	""	""	""
"183"	"LY53857"	""	"Synthetic organic"	""	""	""	""	"135650560"	"3034814"	""	""	"CHEMBL1356280"	""	""	""	""	"3-hydroxybutan-2-yl (2R,4R,7R)-6-methyl-11-(propan-2-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxylate"	""	"LY 53857|LY-53,857"	"CC(C(O)C)OC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C"	"JQYLIGHHVGCTPR-LYRPIDSHSA-N"	"InChI=1S/C23H32N2O3/c1-13(2)25-12-16-10-21-19(18-7-6-8-20(25)22(16)18)9-17(11-24(21)5)23(27)28-15(4)14(3)26/h6-8,12-15,17,19,21,26H,9-11H2,1-5H3/t14?,15?,17-,19-,21-/m1/s1"	""	""	""
"5441"	"LY593093"	""	"Synthetic organic"	""	""	""	""	"178102092"	"9893054"	""	""	""	""	""	""	""	"N-[(1R,2R)-6-[1-[(4-fluorophenyl)methyl-methylamino]ethylideneamino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-phenylbenzamide"	""	"LY 593093|LY-593093"	"O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C"	"KOQVBYSCBCRVQJ-FIRIVFDPSA-N"	"InChI=1S/C32H30FN3O2/c1-21(36(2)20-22-8-15-27(33)16-9-22)34-28-17-14-26-18-30(37)31(29(26)19-28)35-32(38)25-12-10-24(11-13-25)23-6-4-3-5-7-23/h3-17,19,30-31,37H,18,20H2,1-2H3,(H,35,38)/t30-,31-/m1/s1"	""	""	""
"184"	"LY86057"	""	"Synthetic organic"	""	""	""	""	"135650561"	"13878025"	""	""	"CHEMBL52422"	""	""	""	""	"3-hydroxybutan-2-yl 6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxylate"	""	"LY 86057|LY-86057"	"CC(C(OC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C)O"	"GOHDSZGHAHFEHG-UHFFFAOYSA-N"	"InChI=1S/C20H26N2O3/c1-11(23)12(2)25-20(24)14-7-16-15-5-4-6-17-19(15)13(9-21-17)8-18(16)22(3)10-14/h4-6,9,11-12,14,16,18,21,23H,7-8,10H2,1-3H3"	""	""	""
"2606"	"LY97241"	""	"Synthetic organic"	""	""	""	""	"135650562"	"175064"	""	""	"CHEMBL182977"	""	""	""	""	"N-ethyl-N-[4-(4-nitrophenyl)butyl]heptan-1-amine"	""	"LY 97241|LY-97241"	"CCCCCCCN(CCCCc1ccc(cc1)[N+](=O)[O-])CC"	"YTYATOMQOOFRNA-UHFFFAOYSA-N"	"InChI=1S/C19H32N2O2/c1-3-5-6-7-9-16-20(4-2)17-10-8-11-18-12-14-19(15-13-18)21(22)23/h12-15H,3-11,16-17H2,1-2H3"	""	""	""
"10912"	"lymecycline"	""	"Synthetic organic"	"yes"	""	""	""	"405560353"	"54707177"	""	""	"CHEMBL2103929"	""	""	""	""	"(2S)-6-[[[(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carbonyl]amino]methylamino]-2-aminohexanoic acid"	"lymecycline"	"N-Lysinomethyltetracycline|tetracycline-L Methylene-Lysine|Tetralysal&reg;"	"N[C@H](C(=O)O)CCCCNCNC(=O)C1=C(O)[C@@]2([C@H]([C@@H](C1=O)N(C)C)C[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O"	"PZTCVADFMACKLU-UEPZRUIBSA-N"	"InChI=1S/C29H38N4O10/c1-28(42)13-7-6-9-17(34)18(13)22(35)19-14(28)11-15-21(33(2)3)23(36)20(25(38)29(15,43)24(19)37)26(39)32-12-31-10-5-4-8-16(30)27(40)41/h6-7,9,14-16,21,31,34-35,38,42-43H,4-5,8,10-12,30H2,1-3H3,(H,32,39)(H,40,41)/t14-,15-,16-,21-,28+,29-/m0/s1"	""	""	"yes"
"14568"	"lymphocyte antigen 86"	"Human"	"Peptide"	""	""	""	""	"530846816"	"0"	"O95711"	"ENSG00000112799"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"5064"	"lymphotoxin-&alpha;"	"Human"	"Peptide"	""	""	""	""	"178101757"	"0"	"P01374"	"ENSG00000226979"	""	""	""	""	""	""	""	"LT&alpha;|TNF&beta;|TNFSF1"	""	""	""	"yes"	""	""
"5075"	"lymphotoxin-&beta;"	"Human"	"Peptide"	""	""	""	""	"178101768"	"0"	"Q06643"	"ENSG00000227507"	""	""	""	""	""	""	""	"LT&beta;|TNFSF3"	""	""	""	""	""	""
"6142"	"lymphotoxin &beta;<sub>2</sub>&alpha;<sub>1</sub> heterotrimer"	"Human"	"Peptide"	""	""	""	""	"178102763"	"0"	"P01374|Q06643"	"ENSG00000227507|ENSG00000226979"	""	"5075|5064"	"lymphotoxin-&beta;|lymphotoxin-&alpha;"	"Q06643|P01374"	"ENSG00000227507|ENSG00000226979"	""	""	""	""	""	""	""	""	""
"11205"	"LYS006"	""	"Synthetic organic"	""	""	""	""	"434122265"	"118166560"	""	""	""	""	""	""	""	"(3S)-3-amino-4-[5-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenyl]tetrazol-2-yl]butanoic acid"	""	"LYS-006"	"N[C@H](Cn1nnc(n1)c1ccc(cc1)Oc1ncc(cc1F)Cl)CC(=O)O"	"ZEGMEJVULDALSH-NSHDSACASA-N"	"InChI=1S/C16H14ClFN6O3/c17-10-5-13(18)16(20-7-10)27-12-3-1-9(2-4-12)15-21-23-24(22-15)8-11(19)6-14(25)26/h1-5,7,11H,6,8,19H2,(H,25,26)/t11-/m0/s1"	"yes"	""	""
"10320"	"Lys01"	""	"Synthetic organic"	""	""	""	""	"381745001"	"70673567"	""	""	"CHEMBL4282488"	""	""	""	""	"N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine"	""	"compound 3a [PMID: 30344903]"	"CN(CCNc1ccnc2c1ccc(c2)Cl)CCNc1ccnc2c1ccc(c2)Cl"	"WDGQVCRQXSYPCW-UHFFFAOYSA-N"	"InChI=1S/C23H23Cl2N5/c1-30(12-10-28-20-6-8-26-22-14-16(24)2-4-18(20)22)13-11-29-21-7-9-27-23-15-17(25)3-5-19(21)23/h2-9,14-15H,10-13H2,1H3,(H,26,28)(H,27,29)"	""	"yes"	""
"7036"	"Lys-CoA"	""	"Peptide"	""	""	""	""	"178103615"	"44571034"	""	""	"CHEMBL505121"	""	""	""	""	"[[(3R)-4-[[3-[2-[2-[[(5S)-5-acetamido-6-amino-6-oxohexyl]amino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate"	""	"Ac-Lys(CoA)-NH2"	"O[C@@H]1[C@H](OP(O)(O)=O)[C@H](O[C@H]1N2C3=NC=NC(N)=C3N=C2)COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSCC(NCCCC[C@@H](C(N)=O)NC(C)=O)=O)=O)=O)(O)=O)(O)=O"	"YGZKIOPJGFQDSR-QGSWMBNESA-N"	"InChI=1S/C31H53N10O19P3S/c1-17(42)40-18(27(33)47)6-4-5-8-34-21(44)13-64-11-10-35-20(43)7-9-36-29(48)25(46)31(2,3)14-57-63(54,55)60-62(52,53)56-12-19-24(59-61(49,50)51)23(45)30(58-19)41-16-39-22-26(32)37-15-38-28(22)41/h15-16,18-19,23-25,30,45-46H,4-14H2,1-3H3,(H2,33,47)(H,34,44)(H,35,43)(H,36,48)(H,40,42)(H,52,53)(H,54,55)(H2,32,37,38)(H2,49,50,51)/t18-,19+,23+,24+,25-,30+/m0/s1"	""	""	""
"139"	"lysergic acid"	""	"Natural product"	""	""	""	""	"135650563"	"6717"	""	""	""	""	""	""	""	"(9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid"	""	"(+)-lysergic acid|<i>D</i>-lysergic acid|isolysergic acid"	"CN1C[C@@H](C=C2C1Cc1c[nH]c3c1c2ccc3)C(=O)O"	"ZAGRKAFMISFKIO-IAPIXIRKSA-N"	"InChI=1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20)/t10-,14?/m1/s1"	""	""	""
"17"	"Lysergide"	""	"Synthetic organic"	""	""	""	""	"135650536"	"5761"	""	""	"CHEMBL263881"	""	""	""	""	"(4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide"	"lysergide"	"(+)-lysergic acid diethylamide|LSD|N,N-diethyllysergamide"	"CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC"	"VAYOSLLFUXYJDT-RDTXWAMCSA-N"	"InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1"	""	""	""
"123"	"lysergol"	""	"Synthetic organic"	""	""	""	""	"135650564"	"14987"	""	""	"CHEMBL39947"	""	""	""	""	"[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-yl]methanol"	""	"lysergole"	"OC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3"	"BIXJFIJYBLJTMK-MEBBXXQBSA-N"	"InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1"	""	""	""
"3580"	"Lys-[Hyp<sup>3</sup>]-bradykinin"	"Human"	"Peptide"	""	""	""	""	"135651791"	"0"	"P08934|P01042|O08677"	"ENSG00000113889|ENSMUSG00000022875"	""	""	""	""	""	""	""	"[Hyp<sup>3</sup>]-lysyl-bradykinin|Lys-[Hyp<sup>3</sup>]-BK"	""	""	""	""	""	""
"10969"	"lysinomicin"	""	"Natural product"	""	""	""	""	"405560410"	"196541"	""	""	""	""	""	""	""	"(3S)-3,6-diamino-N-[(2S,3R)-2-[(1R,2S,3S,4S,5S,6R)-2-amino-3,6-dihydroxy-4-methoxy-5-(methylamino)cyclohexyl]oxy-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]hexanamide"	""	""	"NCCC[C@@H](CC(=O)N[C@@H]1CC=C(O[C@@H]1O[C@@H]1[C@@H](N)[C@H](O)[C@H]([C@H]([C@H]1O)NC)OC)CN)N"	"WTENXKAJCSHCNH-QJSCRMMJSA-N"	"InChI=1S/C20H40N6O6/c1-25-15-17(29)18(14(24)16(28)19(15)30-2)32-20-12(6-5-11(9-22)31-20)26-13(27)8-10(23)4-3-7-21/h5,10,12,14-20,25,28-29H,3-4,6-9,21-24H2,1-2H3,(H,26,27)/t10-,12+,14-,15-,16-,17+,18+,19-,20+/m0/s1"	""	""	"yes"
"637"	"Lys-kallidin"	""	"Peptide"	""	""	""	""	"135652274"	"101607591"	""	""	""	""	""	""	""	""	""	"[Lys,Lys]bradykinin"	"NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O"	"PLJGSWAPCHRWMD-CUZNLEPHSA-N"	"InChI=1S/C62H97N19O13/c63-27-9-7-20-40(65)51(84)74-41(21-8-10-28-64)52(85)75-42(22-11-29-70-61(66)67)57(90)81-33-15-26-49(81)59(92)80-32-13-24-47(80)55(88)72-36-50(83)73-44(34-38-16-3-1-4-17-38)53(86)78-46(37-82)58(91)79-31-14-25-48(79)56(89)77-45(35-39-18-5-2-6-19-39)54(87)76-43(60(93)94)23-12-30-71-62(68)69/h1-6,16-19,40-49,82H,7-15,20-37,63-65H2,(H,72,88)(H,73,83)(H,74,84)(H,75,85)(H,76,87)(H,77,89)(H,78,86)(H,93,94)(H4,66,67,70)(H4,68,69,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1"	""	""	""
"2508"	"lysophosphatidylcholine"	""	"Metabolite"	""	""	""	""	"53801071"	"5311264"	""	""	""	""	""	""	""	"[(2R)-3-acetyloxy-2-hydroxypropyl] 2-trimethylazaniumylethyl phosphate"	""	"LPC"	"O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COC(=O)C"	"RYCNUMLMNKHWPZ-SNVBAGLBSA-N"	"InChI=1S/C10H22NO7P/c1-9(12)16-7-10(13)8-18-19(14,15)17-6-5-11(2,3)4/h10,13H,5-8H2,1-4H3/t10-/m1/s1"	""	""	""
"5652"	"lysophosphatidylethanolamine"	""	"Metabolite"	""	""	""	""	"178102280"	"73755142"	""	""	""	""	""	""	""	"[(2R)-3-acetyloxy-2-hydroxypropyl] 2-aminoethyl phosphate"	""	"monoacylglycerophosphoethanolamine"	"[O-]P(=O)(OCCN)OC[C@@H](COC(=O)C)O"	"CWRILEGKIAOYKP-SSDOTTSWSA-M"	"InChI=1S/C7H16NO7P/c1-6(9)13-4-7(10)5-15-16(11,12)14-3-2-8/h7,10H,2-5,8H2,1H3,(H,11,12)/p-1/t7-/m1/s1"	""	""	""
"4028"	"lysophosphatidylinositol"	""	"Metabolite"	""	""	""	""	"178100854"	"73755067"	""	""	""	""	""	""	""	""	""	"L-&alpha;-lysophosphatidylinositol|LPI"	"O[C@@H](COC(=O)C)COP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O)O"	"FBDBXJJQMHPGMP-IFUOQLDVSA-N"	"InChI=1S/C11H21O12P/c1-4(12)21-2-5(13)3-22-24(19,20)23-11-9(17)7(15)6(14)8(16)10(11)18/h5-11,13-18H,2-3H2,1H3,(H,19,20)/t5-,6-,7-,8+,9+,10+,11-/m0/s1"	""	""	""
"4064"	"lysophosphatidylserine"	""	"Metabolite"	""	""	""	""	"178100887"	"42607474"	""	""	"CHEMBL582985"	""	""	""	""	"(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-octadecanoyloxypropoxy]phosphoryl]oxypropanoic acid"	""	"lysophosphatidyl-L-serine|lysoPS"	"CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OC[C@@H](C(=O)O)N)O)O"	"ZPDQFUYPBVXUKS-YADHBBJMSA-N"	"InChI=1S/C24H48NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h21-22,26H,2-20,25H2,1H3,(H,28,29)(H,30,31)/t21-,22+/m1/s1"	""	""	""
"3842"	"[Lys<sup>15</sup>,Arg<sup>16</sup>,Leu<sup>27</sup>]VIP-(1-7)/GRF-(8-27)-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"135652275"	"0"	""	""	""	""	""	""	""	""	""	"[K<sup>15</sup>, Arg<sup>16</sup>, Leu<sup>27</sup>]VIP(1-7)/GRF(8-27)"	""	""	""	""	""	""
"3843"	"[Lys<sup>5</sup>,Me-Leu<sup>9</sup>,Nle<sup>10</sup>]NKA-(4-10)"	""	"Peptide"	""	""	""	""	"178100684"	"0"	""	""	""	""	""	""	""	""	""	"[Lys<sup>5</sup>,Me-Leu<sup>9</sup>,Mle<sup>10</sup>]neurokinin A(4-10)"	""	""	""	""	""	""
"8667"	"Lys-thiol"	""	"Synthetic organic"	""	""	""	""	"252166867"	"20384324"	""	""	"CHEMBL432852"	""	""	""	""	"6-amino-2-sulfanylhexanoic acid"	""	""	"NCCCCC(C(=O)O)S"	"JNQDJHCXDRGZJD-UHFFFAOYSA-N"	"InChI=1S/C6H13NO2S/c7-4-2-1-3-5(10)6(8)9/h5,10H,1-4,7H2,(H,8,9)"	""	""	""
"4499"	"Lys[Z(NO<sub>2</sub>)]-Lys[Z(NO<sub>2</sub>)]"	""	"Synthetic organic"	""	""	""	""	"178101227"	"73755095"	""	""	""	""	""	""	""	"2-{2-azaniumyl-6-[(4-nitrophenoxycarbonyl)amino]hexanamido}-6-({[(4-nitrophenyl)methoxy]carbonyl}amino)hexanoate"	""	""	"O=C(OCc1ccc(cc1)[N+](=O)[O-])NCCCCC(C(=O)[O-])NC(=O)C(CCCCNC(=O)Oc1ccc(cc1)[N+](=O)[O-])[NH3+]"	"AJUWOKKXEQNXLT-UHFFFAOYSA-N"	"InChI=1S/C27H34N6O11/c28-22(5-1-3-16-30-27(38)44-21-13-11-20(12-14-21)33(41)42)24(34)31-23(25(35)36)6-2-4-15-29-26(37)43-17-18-7-9-19(10-8-18)32(39)40/h7-14,22-23H,1-6,15-17,28H2,(H,29,37)(H,30,38)(H,31,34)(H,35,36)"	""	""	""
"4498"	"Lys[Z(NO<sub>2</sub>)]-Pro"	""	"Synthetic organic"	""	""	""	""	"178101226"	"73755094"	""	""	""	""	""	""	""	"(2S)-1-{2-amino-6-[(4-nitrophenoxycarbonyl)amino]hexanoyl}pyrrolidine-2-carboxylic acid"	""	""	"O=C(Oc1ccc(cc1)[N+](=O)[O-])NCCCCC(C(=O)N1CCC[C@H]1C(=O)O)N"	"XECWFUGQRJPWRP-LOACHALJSA-N"	"InChI=1S/C18H24N4O7/c19-14(16(23)21-11-3-5-15(21)17(24)25)4-1-2-10-20-18(26)29-13-8-6-12(7-9-13)22(27)28/h6-9,14-15H,1-5,10-11,19H2,(H,20,26)(H,24,25)/t14?,15-/m0/s1"	""	""	""
"9486"	"Lys[Z(NO<sub>2</sub>)]-Val"	""	"Peptide"	""	""	""	""	"329968426"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10288"	"M084"	""	"Synthetic organic"	""	""	""	""	"381744969"	"284016"	""	""	"CHEMBL1376358"	""	""	""	""	"N-butyl-1H-benzimidazol-2-amine"	""	"M-084"	"CCCCNc1nc2c([nH]1)cccc2"	"OKKUCNXCFWODOE-UHFFFAOYSA-N"	"InChI=1S/C11H15N3/c1-2-3-8-12-11-13-9-6-4-5-7-10(9)14-11/h4-7H,2-3,8H2,1H3,(H2,12,13,14)"	""	""	""
"6101"	"M1145"	""	"Peptide"	""	""	""	""	"178102722"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6102"	"M1151"	""	"Peptide"	""	""	""	""	"178102723"	"0"	""	""	""	""	""	""	""	""	""	"GWTLNSAGYLLGPK(&epsilon;-NH-C(O)X)-amide"	""	""	""	""	""	""
"6103"	"M1152"	""	"Peptide"	""	""	""	""	"178102724"	"0"	""	""	""	""	""	""	""	""	""	"WTLNSAGYLLGPK(&epsilon;-NH-C(O)X)-amide"	""	""	""	""	""	""
"6104"	"M1153"	""	"Peptide"	""	""	""	""	"178102725"	"0"	""	""	""	""	""	""	""	""	""	"RGRGNWTLNSAGYLLGPK(&epsilon;-NH-C(O)X)-amide"	""	""	""	""	""	""
"6074"	"M1160"	""	"Peptide"	""	""	""	""	"178102695"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11047"	"M14659"	""	"Synthetic organic"	""	""	""	""	"405560488"	"9577433"	""	""	""	""	""	""	""	"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-5-yl)-2-[(S)-carboxy-(3,4-dihydroxyphenyl)methoxy]iminoacetyl]amino]-3-[(2-carboxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	""	"GR 63116|GR-63116|M 14659|M-14659"	"OC(=O)[C@H](c1ccc(c(c1)O)O)O/N=C(\c1cnc(s1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1cc(C)nc2n1nc(n2)C(=O)O"	"PBJHSJKHPMHQSC-XIMWIQTNSA-N"	"InChI=1S/C28H23N9O11S3/c1-9-4-15(37-28(31-9)33-20(34-37)26(46)47)49-7-11-8-50-23-17(22(41)36(23)18(11)24(42)43)32-21(40)16(14-6-30-27(29)51-14)35-48-19(25(44)45)10-2-3-12(38)13(39)5-10/h2-6,17,19,23,38-39H,7-8H2,1H3,(H2,29,30)(H,32,40)(H,42,43)(H,44,45)(H,46,47)/b35-16+/t17-,19+,23-/m1/s1"	""	""	"yes"
"3896"	"M15"	""	"Peptide"	""	""	""	""	"178100730"	"0"	""	""	""	""	""	""	""	""	""	"galanin(1-13)substance P(5-11)amide|galantide"	""	""	""	""	""	""
"13228"	"M201-A"	""	"Synthetic organic"	""	""	""	""	"491300010"	"155589463"	""	""	""	""	""	""	""	""	""	""	"COC1=CC2=C(C=C1)[S@](=O)CCN(C2)C(=O)CCN3CCC(CC3)CC4=CC=CC=C4"	"QBFZESIJRBFQRK-WJOKGBTCSA-N"	"InChI=1S/C25H32N2O3S/c1-30-23-7-8-24-22(18-23)19-27(15-16-31(24)29)25(28)11-14-26-12-9-21(10-13-26)17-20-5-3-2-4-6-20/h2-8,18,21H,9-17,19H2,1H3/t31-/m1/s1"	""	""	""
"6099"	"M242"	""	"Peptide"	""	""	""	""	"178102720"	"0"	""	""	""	""	""	""	""	""	""	"M 242|M-242"	""	""	""	""	""	""
"3897"	"M32"	""	"Peptide"	""	""	""	""	"178100731"	"0"	""	""	""	""	""	""	""	""	""	"galanin(1-13)neuropeptide Y-amide(25-36)amide"	""	""	""	""	""	""
"3898"	"M35"	""	"Peptide"	""	""	""	""	"178100732"	"0"	""	""	""	""	""	""	""	""	""	"galanin(1-13)bradykinin(2-9)amide"	""	""	""	""	""	""
"5020"	"M372049"	""	"Peptide"	""	""	""	""	"178101717"	"59787819"	""	""	""	""	""	""	""	"(3S)-3-{[(1R)-4-carbamimidamido-1-{[(1S,2S)-1-carbamoyl-2-methylbutyl]carbamoyl}butyl]carbamoyl}-3-[(2S,3S)-3-methyl-2-[(3R)-2-oxo-3-{2-[4-(quinoxaline-2-amido)phenyl]acetamido}pyrrolidin-1-yl]pentanamido]propanoic acid"	""	"M 372049|M-372049"	"CC[C@@H]([C@H](N1CC[C@H](C1=O)NC(=O)Cc1ccc(cc1)NC(=O)c1cnc2c(n1)cccc2)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)CCCNC(=N)N)CC(=O)O)C"	"VINFYKMOVBYUSF-ZCWPROOASA-N"	"InChI=1S/C43H58N12O9/c1-5-23(3)35(37(44)59)54-38(60)29(12-9-18-47-43(45)46)52-39(61)31(21-34(57)58)53-41(63)36(24(4)6-2)55-19-17-30(42(55)64)51-33(56)20-25-13-15-26(16-14-25)49-40(62)32-22-48-27-10-7-8-11-28(27)50-32/h7-8,10-11,13-16,22-24,29-31,35-36H,5-6,9,12,17-21H2,1-4H3,(H2,44,59)(H,49,62)(H,51,56)(H,52,61)(H,53,63)(H,54,60)(H,57,58)(H4,45,46,47)/t23-,24-,29+,30+,31-,35-,36-/m0/s1"	""	""	""
"3899"	"M40"	""	"Peptide"	""	""	""	""	"178100733"	"0"	""	""	""	""	""	""	""	""	""	"galanin(1-13)Pro-Pro-Ala-Leu-Ala-Leu-Ala-Leu-Ala-amide"	""	""	""	""	""	""
"9737"	"M5717"	""	"Synthetic organic"	""	""	""	""	"374883826"	"71748268"	""	""	"CHEMBL4091762"	""	""	""	""	"6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide"	"cabamiquine"	"DDD107498|DDD498|MMV121"	"Fc1ccc2c(c1)c(cc(n2)c1ccc(cc1)CN1CCOCC1)C(=O)NCCN1CCCC1"	"BENUHBSJOJMZEE-UHFFFAOYSA-N"	"InChI=1S/C27H31FN4O2/c28-22-7-8-25-23(17-22)24(27(33)29-9-12-31-10-1-2-11-31)18-26(30-25)21-5-3-20(4-6-21)19-32-13-15-34-16-14-32/h3-8,17-18H,1-2,9-16,19H2,(H,29,33)"	""	"yes"	""
"6396"	"M-5MPEP"	""	"Synthetic organic"	""	""	""	""	"178103012"	"16036762"	""	""	"CHEMBL504706"	""	""	""	""	"2-[2-(3-methoxyphenyl)ethynyl]-5-methylpyridine"	""	""	"COc1cccc(c1)C#Cc1ccc(cn1)C"	"CCQPQKFLWKYOMJ-UHFFFAOYSA-N"	"InChI=1S/C15H13NO/c1-12-6-8-14(16-11-12)9-7-13-4-3-5-15(10-13)17-2/h3-6,8,10-11H,1-2H3"	""	""	""
"6100"	"M617"	""	"Peptide"	""	""	""	""	"178102721"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3305"	"M65"	""	"Peptide"	""	""	""	""	"135652276"	"0"	""	""	""	""	""	""	""	""	""	"des-(Gln<sup>25</sup>-Gln<sup>41</sup>)-maxadilan|maxadilan &Delta;25-41"	""	""	""	""	""	""
"8654"	"M826"	""	"Synthetic organic"	""	""	""	""	"252166854"	"9851134"	""	""	"CHEMBL1184755"	""	""	""	""	"3-[2-[5-tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]butanoylamino]-5-(hexyl-methylamino)-4-oxopentanoic acid"	""	"compound 4sx"	"CCCCCCN(CC(=O)C(NC(=O)C(n1cc(nc(c1=O)NCc1nonc1C)C(C)(C)C)CC)CC(=O)O)C"	"XIMITGPWYYFUQF-UHFFFAOYSA-N"	"InChI=1S/C28H45N7O6/c1-8-10-11-12-13-34(7)16-22(36)19(14-24(37)38)30-26(39)21(9-2)35-17-23(28(4,5)6)31-25(27(35)40)29-15-20-18(3)32-41-33-20/h17,19,21H,8-16H2,1-7H3,(H,29,31)(H,30,39)(H,37,38)"	""	""	""
"3900"	"M871"	""	"Peptide"	""	""	""	""	"178100734"	"0"	""	""	""	""	""	""	""	""	""	"galanin(2-13)Glu-His-(Pro)<sub>3</sub>(Ala-Leu)<sub>2</sub>Ala-amide"	""	""	""	""	""	""
"12714"	"M8891"	""	"Synthetic organic"	""	""	""	""	"483123262"	"89855776"	""	""	"CHEMBL4464946"	""	""	""	""	""	""	"M-8891"	"C1CN(C(=O)[C@]1(C(=O)NCC2=CC(=CC(=C2)F)F)O)C3=CC4=C(C=C3)NC=C4"	"WVGGJQVCOTYFPV-FQEVSTJZSA-N"	"InChI=1S/C20H17F2N3O3/c21-14-7-12(8-15(22)10-14)11-24-18(26)20(28)4-6-25(19(20)27)16-1-2-17-13(9-16)3-5-23-17/h1-3,5,7-10,23,28H,4,6,11H2,(H,24,26)/t20-/m0/s1"	""	""	""
"6376"	"M8-B"	""	"Synthetic organic"	""	""	""	""	"178102994"	"11675630"	""	""	"CHEMBL2442052"	""	""	""	""	"N-(2-aminoethyl)-N-[[3-methoxy-4-(phenylmethoxy)phenyl]methyl]thiophene-2-carboxamide"	""	""	"NCCN(C(=O)c1cccs1)Cc1ccc(c(c1)OC)OCc1ccccc1"	"UOGGWHBYFVBUIY-UHFFFAOYSA-N"	"InChI=1S/C22H24N2O3S/c1-26-20-14-18(9-10-19(20)27-16-17-6-3-2-4-7-17)15-24(12-11-23)22(25)21-8-5-13-28-21/h2-10,13-14H,11-12,15-16,23H2,1H3"	""	""	""
"4036"	"MA-2029"	""	"Synthetic organic"	""	""	""	""	"178100861"	"73755070"	""	""	""	""	""	""	""	"(2S)-N-[(2S)-3-(3-tert-butyl-4-hydroxyphenyl)-1-(ethylamino)-1-oxopropan-2-yl]-2-[[(2S)-3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methylamino]-3-methylbutanamide;hydrochloride"	""	"MA2029"	"CCNC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](Cc1ccc(cc1)F)NC)C)C(C)C)Cc1ccc(c(c1)C(C)(C)C)O.Cl"	"AMSDRHOIAWZBTJ-PBQYMGKRSA-N"	"InChI=1S/C31H45FN4O4.ClH/c1-9-34-28(38)24(18-21-12-15-26(37)23(16-21)31(4,5)6)35-29(39)27(19(2)3)36(8)30(40)25(33-7)17-20-10-13-22(32)14-11-20;/h10-16,19,24-25,27,33,37H,9,17-18H2,1-8H3,(H,34,38)(H,35,39);1H/t24-,25-,27-;/m0./s1"	""	""	""
"14108"	"mAb 3E3 [PMID: 22483115]"	""	"Antibody"	""	""	""	""	"518520735"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11079"	"mAb 4A8"	""	"Antibody"	""	""	""	""	"434122140"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9665"	"MAB92"	""	"Antibody"	""	""	""	""	"348353624"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"14109"	"mAb PRTH-101"	""	"Antibody"	""	""	""	""	"518520736"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14301"	"MAC13243"	""	"Synthetic organic"	""	""	""	""	"523352093"	"2806782"	""	""	"CHEMBL1213376"	""	""	""	""	"6-[(4-chlorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine"	""	""	"COC1=C(C=C(C=C1)CCN2CNC(=NC2)SCC3=CC=C(C=C3)Cl)OC"	"JRZNGLZDQHVIOO-UHFFFAOYSA-N"	"InChI=1S/C20H24ClN3O2S/c1-25-18-8-5-15(11-19(18)26-2)9-10-24-13-22-20(23-14-24)27-12-16-3-6-17(21)7-4-16/h3-8,11H,9-10,12-14H2,1-2H3,(H,22,23)"	""	""	"yes"
"9745"	"macimorelin"	""	"Synthetic organic"	"yes"	""	""	""	"354702218"	"9804938"	""	""	"CHEMBL278623"	""	""	""	""	"2-amino-N-[(2R)-1-[[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide"	"macimorelin"	"AEZS-130|AEZS130|Aib-DTrp-DgTrp-CHO|EP-1572|EP1572|UMV1843"	"O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2"	"UJVDJAPJQWZRFR-DHIUTWEWSA-N"	"InChI=1S/C26H30N6O3/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t22-,23-/m1/s1"	""	""	""
"7352"	"macitentan"	""	"Synthetic organic"	"yes"	""	""	""	"178103924"	"16004692"	""	""	"CHEMBL2103873"	""	""	""	""	"5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine"	"macitentan"	"ACT-064992|Opsumit&reg;|Opsynvi&reg; (combination of macitentan + tadalafil)"	"CCCNS(=O)(=O)Nc1ncnc(c1c1ccc(cc1)Br)OCCOc1ncc(cn1)Br"	"JGCMEBMXRHSZKX-UHFFFAOYSA-N"	"InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)"	""	""	""
"13055"	"macozinone"	""	"Synthetic organic"	""	""	""	""	"491299837"	"57331386"	""	""	"CHEMBL3330226"	""	""	""	""	"2-[4-(cyclohexylmethyl)piperazin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one"	"macozinone"	"PBTZ169"	"C1CCC(CC1)CN2CCN(CC2)C3=NC(=O)C4=C(S3)C(=CC(=C4)C(F)(F)F)[N+](=O)[O-]"	"BJDZBXGJNBMCAV-UHFFFAOYSA-N"	"InChI=1S/C20H23F3N4O3S/c21-20(22,23)14-10-15-17(16(11-14)27(29)30)31-19(24-18(15)28)26-8-6-25(7-9-26)12-13-4-2-1-3-5-13/h10-11,13H,1-9,12H2"	""	""	"yes"
"10978"	"Macquarimicin A"	""	"Synthetic organic"	""	""	""	""	"405560419"	"10019526"	""	""	""	""	""	""	""	""	""	""	"O[C@H]1C[C@@H]2CC(=O)/C(=C\[C@H]3[C@@H](C1)C=C[C@H]1[C@@H]3C[C@H](C1=O)C)/C(=O)O2"	"BYUKEFZLYIFNCB-MDRYBKLPSA-N"	"InChI=1S/C19H22O5/c1-9-4-15-13(18(9)22)3-2-10-5-11(20)6-12-7-17(21)16(8-14(10)15)19(23)24-12/h2-3,8-15,20H,4-7H2,1H3/b16-8+/t9-,10-,11-,12-,13+,14+,15+/m1/s1"	""	""	"yes"
"9981"	"macrophage migration inhibitory factor"	"Human"	"Peptide"	""	""	""	""	"374883868"	"0"	"P14174"	"ENSG00000240972"	""	""	""	""	""	""	""	"L-dopachrome isomerase|MMIF"	""	""	""	"yes"	""	""
"5023"	"macrophage stimulating protein 1"	"Human"	"Peptide"	""	""	""	""	"178101720"	"0"	"P09603"	"ENSG00000173531"	""	""	""	""	""	""	""	"hepatocyte growth factor-like|MST1"	""	""	""	""	""	""
"12697"	"mafenide"	""	"Synthetic organic"	"yes"	""	""	""	"483123245"	"3998"	""	""	"CHEMBL419"	""	""	""	""	"4-(Aminomethyl)benzenesulfonamide"	"mafenide"	"homosulfanilamide|Sulfamylon&reg;"	"C1=CC(=CC=C1CN)S(=O)(=O)N"	"TYMRLRRVMHJFTF-UHFFFAOYSA-N"	"InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)"	""	""	"yes"
"12123"	"MAGLi 432"	""	"Synthetic organic"	""	""	""	""	"472319245"	"138740335"	""	""	""	""	""	""	""	"[(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-bromo-3-methoxyphenyl)methanone"	""	""	"[C@H]12CC[C@@H](CN1CCN(C2)C(=O)c1c(Br)c(OC)ccc1)c1ccc(Cl)cc1"	"BKTASVDLNMGMFP-FUHWJXTLSA-N"	"InChI=1S/C22H24BrClN2O2/c1-28-20-4-2-3-19(21(20)23)22(27)26-12-11-25-13-16(7-10-18(25)14-26)15-5-8-17(24)9-6-15/h2-6,8-9,16,18H,7,10-14H2,1H3/t16-,18+/m0/s1"	""	""	""
"14021"	"magnolol"	""	"Natural product"	""	""	""	""	"518520648"	"72300"	""	""	"CHEMBL180920"	""	""	""	""	"2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol"	""	""	"C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)O"	"VVOAZFWZEDHOOU-UHFFFAOYSA-N"	"InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2"	""	""	""
"12652"	"magrolimab"	""	"Antibody"	""	""	""	""	"483123200"	"0"	""	""	""	""	""	""	""	""	"magrolimab"	"Hu5F9-G4"	""	""	""	"yes"	""	""
"10515"	"MAK683"	""	"Synthetic organic"	""	""	""	""	"387065597"	"121412508"	""	""	""	""	""	""	""	"N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine"	""	"EED inhibitor-1|example 2 [WO2016103155A1]|MAK-683"	"Fc1ccc2c(c1CNc1ncc(c3n1cnn3)c1cccnc1C)CCO2"	"XLIBABIFOBYHSV-UHFFFAOYSA-N"	"InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24)"	""	""	""
"13178"	"makomakinol"	""	"Synthetic organic"	""	""	""	""	"491299960"	"171037443"	""	""	""	""	""	""	""	""	""	""	"[H][C@]12C[C@H](O)C(=C)[C@]([H])(C1)C(=NC2(C)C)C(=O)C3=CNC4=C3C=CC=C4"	"WNNMZZSFJADSJG-IFIJOSMWSA-N"	"InChI=1S/C20H22N2O2/c1-11-14-8-12(9-17(11)23)20(2,3)22-18(14)19(24)15-10-21-16-7-5-4-6-13(15)16/h4-7,10,12,14,17,21,23H,1,8-9H2,2-3H3/t12-,14+,17+/m1/s1"	""	""	""
"9630"	"maleic acid"	""	"Synthetic organic"	""	""	""	""	"340590260"	"444266"	""	""	""	""	""	""	""	"(2Z)-But-2-enedioic acid"	""	""	"OC(=O)/C=C\C(=O)O"	"VZCYOOQTPOCHFL-UPHRSURJSA-N"	"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-"	""	""	""
"2480"	"malic acid"	""	"Metabolite"	""	""	""	""	"135651516"	"525"	""	""	"CHEMBL1455497"	""	""	""	""	"2-Hydroxybutanedioic acid"	""	"malate"	"OC(=O)CC(C(=O)O)O"	"BJEPYKJPYRNKOW-UHFFFAOYSA-N"	"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)"	""	""	""
"5219"	"malonyl-CoA"	""	"Metabolite"	""	""	""	""	"178101904"	"644066"	""	""	""	""	""	""	""	"3-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-3-oxopropanoic acid"	""	""	"O=C(NCCSC(=O)CC(=O)O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O"	"LTYOQGRJFJAKNA-DVVLENMVSA-N"	"InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1"	""	""	""
"5631"	"maltotriose-[<sup>125</sup>I][Tyr<sup>3</sup>,Thr<sup>8</sup>]octreotide"	""	"Peptide"	""	""	"yes"	"yes"	"178102260"	"0"	""	""	""	""	""	""	""	""	""	"[<sup>125</sup>I]-Mtr-TOCA|maltotriose-[<sup>125</sup>I]-Tyr<sup>3</sup>-octreotate"	""	""	""	""	""	""
"12427"	"malvidin-3-glucoside"	""	"Natural product"	""	""	""	""	"479821218"	"443652"	""	""	"CHEMBL403236"	""	""	""	""	"(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol"	""	"Enin|Malvidin 3-O-beta-D-glucoside|Malvidin 3-O-glucoside|Oenin"	"COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O"	"PXUQTDZNOHRWLI-OXUVVOBNSA-O"	"InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1"	""	""	""
"10308"	"mambalgin-1"	""	"Peptide"	""	""	""	""	"381744989"	"0"	"P0DKR6"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"13153"	"mamba toxin CM-3"	""	"Peptide"	""	""	""	""	"491299935"	"0"	"P25518"	""	""	""	""	""	""	""	""	"Adrenergic toxin rho-elapitoxin-Dp1b|rho-EPTX-Dp1b"	""	""	""	""	""	""
"13888"	"manfidokimab"	""	"Antibody"	""	""	""	""	"513757573"	"0"	""	""	""	""	""	""	""	""	"manfidokimab"	"AK-120|AK120"	""	""	""	""	""	""
"13843"	"mangiferin"	""	"Natural product"	""	""	""	""	"513757528"	"5281647"	""	""	"CHEMBL464825"	""	""	""	""	"1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one"	""	""	"C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O"	"AEDDIBAIWPIIBD-ZJKJAXBQSA-N"	"InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1"	""	""	""
"13468"	"mangostanin"	""	"Natural product"	""	""	""	""	"500839878"	"5495929"	""	""	"CHEMBL561643"	""	""	""	""	"5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one"	""	"9-Hydroxycalabaxanthone"	"CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)O)OC)C"	"HQWHKELJHUFLGD-UHFFFAOYSA-N"	"InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3"	""	""	""
"11739"	"manidipine"	""	"Synthetic organic"	"yes"	""	""	""	"458923774"	"4008"	""	""	"CHEMBL312176"	""	""	""	""	"5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"manidipine"	"Artedil&reg;|CV-4093|CV4093|Franidipine&reg;|Iperten&reg;"	"CC1=C(C(C(=C(N1)C)C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)c1cc(ccc1)[N+](=O)[O-])C(=O)OC"	"ANEBWFXPVPTEET-UHFFFAOYSA-N"	"InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3"	""	""	""
"13677"	"manoalide"	""	"Natural product"	""	""	""	""	"507750311"	"6437368"	""	""	"CHEMBL463914"	""	""	""	""	""	""	"MC-13"	"CC1=C(C(CCC1)(C)C)CC/C(=C/CCC2=CC[C@@H](O[C@H]2O)C3=CC(=O)O[C@H]3O)/C"	"FGJIDQWRRLDGDB-CPIXEKRISA-N"	"InChI=1S/C25H36O5/c1-16(10-12-20-17(2)8-6-14-25(20,3)4)7-5-9-18-11-13-21(29-23(18)27)19-15-22(26)30-24(19)28/h7,11,15,21,23-24,27-28H,5-6,8-10,12-14H2,1-4H3/b16-7+/t21-,23-,24-/m1/s1"	""	""	""
"10539"	"MANSC (415-431)"	"Human"	"Peptide"	""	""	""	""	"387271631"	"139600923"	"Q9H8J5"	"ENSG00000111261"	""	""	""	""	""	""	""	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)CC(=O)O)C(C)C)Cc1ccc(cc1)O)[C@H](CC)C)CC(=O)N)[C@H](CC)C)CC(C)C)Cc1ccc(cc1)O)CC(=O)O)CC(C)C)CCCN=C(N)N)CO)Cc1ccc(cc1)O)CCCN=C(N)N)N"	"CCMVMLBWJFAFRO-IAMXVIFYSA-N"	"InChI=1S/C97H153N25O27/c1-13-51(10)77(93(146)115-67(42-56-27-33-59(126)34-28-56)89(142)120-76(50(8)9)92(145)117-70(45-75(131)132)90(143)122-79(95(148)149)53(12)15-3)119-73(128)46-107-81(134)68(43-72(100)127)116-94(147)78(52(11)14-2)121-88(141)64(39-49(6)7)111-85(138)65(40-54-23-29-57(124)30-24-54)113-87(140)69(44-74(129)130)114-84(137)63(38-48(4)5)110-83(136)62(22-19-37-106-97(103)104)109-91(144)71(47-123)118-86(139)66(41-55-25-31-58(125)32-26-55)112-82(135)61(21-18-36-105-96(101)102)108-80(133)60(99)20-16-17-35-98/h23-34,48-53,60-71,76-79,123-126H,13-22,35-47,98-99H2,1-12H3,(H2,100,127)(H,107,134)(H,108,133)(H,109,144)(H,110,136)(H,111,138)(H,112,135)(H,113,140)(H,114,137)(H,115,146)(H,116,147)(H,117,145)(H,118,139)(H,119,128)(H,120,142)(H,121,141)(H,122,143)(H,129,130)(H,131,132)(H,148,149)(H4,101,102,105)(H4,103,104,106)/t51-,52-,53-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,76-,77-,78-,79-/m0/s1"	""	""	""
"1414"	"MAP4"	""	"Synthetic organic"	""	""	""	""	"135650565"	"1795545"	""	""	"CHEMBL1488784"	""	""	""	""	"(2S)-2-amino-2-methyl-4-phosphonobutanoic acid"	""	""	"OC(=O)[C@](CCP(=O)(O)O)(N)C"	"HONKEGXLWUDTCF-YFKPBYRVSA-N"	"InChI=1S/C5H12NO5P/c1-5(6,4(7)8)2-3-12(9,10)11/h2-3,6H2,1H3,(H,7,8)(H2,9,10,11)/t5-/m0/s1"	""	""	""
"11940"	"MAP855"	""	"Synthetic organic"	""	""	""	""	"461663495"	"90647159"	""	""	"CHEMBL3904439"	""	""	""	""	"1-[(3S,4S)-4-[8-(2-chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]-3-fluoropiperidin-1-yl]-2-hydroxyethanone"	""	"compound 30 [PMID: 35195996]|MAP-855"	"Cc1nc2cnc3cc(c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)c1ccc(cc1Cl)Oc1ncccn1)F"	"WZZBNLYBHUDSHF-DHLKQENFSA-N"	"InChI=1S/C28H23ClF2N6O3/c1-15-35-24-12-34-23-11-21(30)18(17-4-3-16(9-20(17)29)40-28-32-6-2-7-33-28)10-19(23)27(24)37(15)25-5-8-36(13-22(25)31)26(39)14-38/h2-4,6-7,9-12,22,25,38H,5,8,13-14H2,1H3/t22-,25-/m0/s1"	""	""	""
"11096"	"MAPK13-IN-1"	""	"Synthetic organic"	""	""	""	""	"434122157"	"17941505"	""	""	"CHEMBL472620"	""	""	""	""	"1-(5-tert-butyl-2-methylpyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea"	""	"compound 61 [WO2014015056A2]"	"O=C(Nc1cc(nn1C)C(C)(C)C)Nc1ccc(cc1)Oc1ccncc1"	"MHSLDASSAFCCDO-UHFFFAOYSA-N"	"InChI=1S/C20H23N5O2/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26)"	"yes"	""	""
"9654"	"mapracorat"	""	"Synthetic organic"	""	""	""	""	"340590284"	"24795088"	""	""	"CHEMBL2103876"	""	""	""	""	""	"mapracorat"	"BOL-303242-X|ZK-245186|ZK245186"	"Fc1cc2CCOc2c(c1)C(C[C@](C(F)(F)F)(CNc1cccc2c1ccc(n2)C)O)(C)C"	"VJGFOYBQOIPQFY-XMMPIXPASA-N"	"InChI=1S/C25H26F4N2O2/c1-15-7-8-18-20(5-4-6-21(18)31-15)30-14-24(32,25(27,28)29)13-23(2,3)19-12-17(26)11-16-9-10-33-22(16)19/h4-8,11-12,30,32H,9-10,13-14H2,1-3H3/t24-/m1/s1"	"yes"	""	""
"2402"	"maprotiline"	""	"Synthetic organic"	"yes"	""	""	""	"135650566"	"4011"	""	""	"CHEMBL21731"	""	""	""	""	""	"maprotiline"	"maprotiline hydrochloride"	"CNCCCC12CCC(c3c1cccc3)c1c2cccc1"	"QSLMDECMDJKHMQ-UHFFFAOYSA-N"	"InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3"	""	""	""
"11708"	"maralixibat"	""	"Synthetic organic"	"yes"	""	""	""	"442878734"	"9831643"	""	""	"CHEMBL363392"	""	""	""	""	""	"maralixibat chloride"	"compound 74 [PMID: 16134951]|Livmarli&reg;|lopixibat (deleted INN)|LUM 001|LUM-001|LUM001"	"CCCCC1(CS(=O)(=O)c2c(cc(cc2)N(C)C)[C@H]([C@H]1O)c1ccc(cc1)OCc1ccc(cc1)C[N+]12CCN(CC1)CC2)CCCC"	"STPKWKPURVSAJF-LJEWAXOPSA-N"	"InChI=1S/C40H56N3O4S/c1-5-7-19-40(20-8-6-2)30-48(45,46)37-18-15-34(41(3)4)27-36(37)38(39(40)44)33-13-16-35(17-14-33)47-29-32-11-9-31(10-12-32)28-43-24-21-42(22-25-43)23-26-43/h9-18,27,38-39,44H,5-8,19-26,28-30H2,1-4H3/q+1/t38-,39-/m1/s1"	""	""	""
"806"	"maraviroc"	""	"Synthetic organic"	"yes"	""	""	""	"135650567"	"3002977"	""	""	""	""	""	""	""	"4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide"	"maraviroc"	"Celsentri&reg;|Selzentry&reg;|UK 427857|UK-427,857"	"O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C"	"GSNHKUDZZFZSJB-HLMSNRGBSA-N"	"InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25?,26-/m0/s1"	"yes"	""	""
"13670"	"marbofloxacin"	""	"Synthetic organic"	""	""	""	""	"507750304"	"60651"	""	""	"CHEMBL478120"	""	""	""	""	"7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.0<sup>5,13</sup>]trideca-5(13),6,8,11-tetraene-11-carboxylic acid"	"marbofloxacin"	""	"CN1CCN(CC1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F"	"BPFYOAJNDMUVBL-UHFFFAOYSA-N"	"InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)"	""	""	"yes"
"9891"	"marbostat-100"	""	"Synthetic organic"	""	""	""	""	"363894185"	"118884610"	""	""	""	""	""	""	""	""	""	"compound 5a [PMID: 29589441]"	"ONC(=O)c1ccc(cc1)Cn1c2CN3CC(c2c2c1cccc2)C(=O)N(C3=O)C"	"ZCAIUGLOTHAUQX-UHFFFAOYSA-N"	"InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)"	"yes"	""	""
"9617"	"mardepodect"	""	"Synthetic organic"	""	""	""	""	"340590247"	"11581936"	""	""	""	""	""	""	""	"2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline"	"mardepodect"	"MP-10|PF-02545920|PF-2545920|PF2545920|pyrazole 9 [PMID: 19630403]"	"Cn1nc(c(c1)c1ccncc1)c1ccc(cc1)OCc1ccc2c(n1)cccc2"	"AZEXWHKOMMASPA-UHFFFAOYSA-N"	"InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3"	""	""	""
"12056"	"maresin 1"	""	"Synthetic organic"	""	""	""	""	"472319178"	"60201795"	""	""	""	""	""	""	""	"(4Z,7R,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid"	""	"7R,14S-dihydroxydocosa-4Z,8E,10E,12Z,16Z,19Z-hexaenoic acid|7R-Maresin 1|MaR1|Maresin-1"	"CC/C=C\C/C=C\C[C@@H](/C=C/C=C/C=C/[C@@H](C/C=C\CCC(=O)O)O)O"	"HLHYXXBCQOUTGK-LUSCUACYSA-N"	"InChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,10-6-,13-9-,16-11+,17-12+/t20-,21-/m0/s1"	"yes"	""	""
"12055"	"maresin 2"	""	"Synthetic organic"	""	""	""	""	"472319177"	"101894912"	""	""	""	""	""	""	""	"(4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13,14-dihydroxydocosa-4,7,9,11,16,19-hexaenoic acid"	""	"13R,14S-diHDHA|13R,14S-dihydroxy-docosahexaenoic acid|MaR2|maresin-2"	"CC/C=C\C/C=C\C[C@@H]([C@@H](/C=C/C=C/C=C\C/C=C\CCC(=O)O)O)O"	"ALWYOLKNLLFCAY-GYROAIJESA-N"	"InChI=1S/C22H32O4/c1-2-3-4-5-11-14-17-20(23)21(24)18-15-12-9-7-6-8-10-13-16-19-22(25)26/h3-4,6-7,9-15,18,20-21,23-24H,2,5,8,16-17,19H2,1H3,(H,25,26)/b4-3-,7-6-,12-9+,13-10-,14-11-,18-15+/t20-,21+/m0/s1"	"yes"	""	""
"2547"	"margatoxin"	""	"Peptide"	""	""	""	""	"135652277"	"0"	"P40755"	""	""	""	""	""	""	""	""	"MgTx|potassium channel toxin &alpha;-KTx 2.2"	""	""	""	""	""	""
"8686"	"margetuximab"	""	"Antibody"	"yes"	""	""	""	"252166886"	"0"	""	""	""	""	""	""	""	""	"margetuximab"	"Margenza&reg;|margetuximab-cmkb|MGAH-22"	""	""	""	""	""	""
"12049"	"maribavir"	""	"Synthetic organic"	"yes"	""	""	""	"472319172"	"471161"	""	""	"CHEMBL515408"	""	""	""	""	"(2S,3S,4R,5S)-2-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	"maribavir"	"1263W94|benzimidavir|Camvia&reg;|G1263|GW-1263|Livtencity&reg;"	"CC(C)Nc1nc2cc(c(cc2n1[C@@H]1[C@H]([C@H]([C@@H](O1)CO)O)O)Cl)Cl"	"KJFBVJALEQWJBS-XUXIUFHCSA-N"	"InChI=1S/C15H19Cl2N3O4/c1-6(2)18-15-19-9-3-7(16)8(17)4-10(9)20(15)14-13(23)12(22)11(5-21)24-14/h3-4,6,11-14,21-23H,5H2,1-2H3,(H,18,19)/t11-,12-,13-,14-/m0/s1"	""	""	""
"13316"	"maridebart cafraglutide"	""	"Antibody"	""	""	""	""	"496703286"	"0"	""	""	""	""	""	""	""	""	"maridebart cafraglutide"	"AMG 133|AMG-133|AMG133|MariTide"	""	""	""	""	""	""
"10828"	"maridomycin"	""	"Synthetic organic"	""	""	""	""	"405560269"	"6436045"	""	""	""	""	""	""	""	""	"maridomycin"	"LS-87912|Maridomycin III"	"O=CCC1CC(C)C(O)/C=C/C2OC2CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)O)OC(=O)CC)OC)OC(=O)CC)C"	"FFXJTOKFQATYBI-BUHFOSPRSA-N"	"InChI=1S/C41H67NO16/c1-11-30(45)55-29-19-32(47)51-22(4)18-28-27(54-28)14-13-26(44)21(3)17-25(15-16-43)37(38(29)50-10)58-40-35(48)34(42(8)9)36(23(5)53-40)57-33-20-41(7,49)39(24(6)52-33)56-31(46)12-2/h13-14,16,21-29,33-40,44,48-49H,11-12,15,17-20H2,1-10H3/b14-13+"	""	""	"yes"
"5220"	"marimastat"	""	"Synthetic organic"	""	""	""	""	"178101905"	"119031"	""	""	"CHEMBL279785"	""	""	""	""	"(2S,3R)-N-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N',2-dihydroxy-3-(2-methylpropyl)butanediamide"	"marimastat"	"BB-2516|BB2516"	"ONC(=O)[C@H]([C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)NC)CC(C)C)O"	"OCSMOTCMPXTDND-OUAUKWLOSA-N"	"InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1"	""	""	""
"13403"	"marstacimab"	""	"Antibody"	"yes"	""	""	""	"496703373"	"0"	""	""	""	""	""	""	""	""	"marstacimab"	"Hympavzi&reg;|marstacimab-hncq"	""	""	""	""	""	""
"14032"	"martentoxin"	""	"Peptide"	""	""	""	""	"518520659"	"0"	""	""	""	""	""	""	""	""	""	"MarTX"	""	""	""	""	""	""
"11118"	"martinostat"	""	"Synthetic organic"	""	""	""	""	"434122178"	"90479372"	""	""	""	""	""	""	""	"(E)-3-[4-[[1-adamantylmethyl(methyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide"	""	"compound 6 [PMID: 25203558]"	"ONC(=O)/C=C/c1ccc(cc1)CN(CC12CC3CC(C2)CC(C1)C3)C"	"WNIDBXBLQFPAJA-VOTSOKGWSA-N"	"InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+"	""	""	""
"12322"	"masavibart"	""	"Antibody"	""	""	""	""	"479821113"	"0"	""	""	""	""	""	""	""	""	"masavibart"	"ZRC3308-A7"	""	""	""	""	""	""
"5656"	"masitinib"	""	"Synthetic organic"	""	""	""	""	"178102284"	"10074640"	""	""	"CHEMBL1908391"	""	""	""	""	"N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide"	"masitinib"	"AB-1010|AB1010|Masican&reg; (proposed trade name)"	"CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1scc(n1)c1cccnc1)C"	"WJEOLQLKVOPQFV-UHFFFAOYSA-N"	"InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)"	"yes"	""	""
"2548"	"mast cell degranulating peptide"	""	"Peptide"	""	""	""	""	"135652278"	"16132290"	"P01499"	""	""	""	""	""	""	""	""	"MCD peptide|MCDP|Peptide 401"	"NCCCCC1NC(=O)C(CCCNC(=N)N)NC(=O)C2CSSCC(NC(=O)C(NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(CC)C)C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCCCN)NC(=O)C(NC(=O)C(C(CC)C)N)CCCCN)CC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC1N=CN=C1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)N2)C(CC)C)CC2N=CN=C2)CCC1)CCCCN)C(CC)C)C(C)C"	"QMBRLNFAEHGOLY-UHFFFAOYSA-N"	"InChI=1S/C110H192N40O24S4/c1-11-58(7)83(118)103(169)136-66(30-17-22-38-113)94(160)142-77-53-176-175-51-75(89(155)128-50-82(153)131-64(28-15-20-36-111)90(156)138-71(88(119)154)46-80(116)151)144-106(172)85(59(8)12-2)147-95(161)67(31-18-23-39-114)132-92(158)68(33-25-41-126-109(120)121)135-100(166)78-54-178-177-52-76(143-96(162)74(47-81(117)152)140-101(77)167)99(165)134-65(29-16-21-37-112)91(157)133-69(34-26-42-127-110(122)123)93(159)139-72(44-62-48-124-55-129-62)97(163)146-84(57(5)6)104(170)149-87(61(10)14-4)105(171)137-70(32-19-24-40-115)108(174)150-43-27-35-79(150)102(168)141-73(45-63-49-125-56-130-63)98(164)148-86(60(9)13-3)107(173)145-78/h48-49,55-79,83-87H,11-47,50-54,111-115,118H2,1-10H3,(H2,116,151)(H2,117,152)(H2,119,154)(H,128,155)(H,131,153)(H,132,158)(H,133,157)(H,134,165)(H,135,166)(H,136,169)(H,137,171)(H,138,156)(H,139,159)(H,140,167)(H,141,168)(H,142,160)(H,143,162)(H,144,172)(H,145,173)(H,146,163)(H,147,161)(H,148,164)(H,149,170)(H4,120,121,126)(H4,122,123,127)"	""	""	""
"11764"	"MAT-POS-932d1078-3"	""	"Synthetic organic"	""	""	""	""	"458923799"	"156906412"	""	""	""	""	""	""	""	""	""	""	"CO[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2c(F)cc(F)cc12"	"RMXNRMBUTBCRQX-FQEVSTJZSA-N"	"InChI=1S/C20H16F2N2O3/c1-26-20(6-7-27-18-15(20)8-13(21)9-16(18)22)19(25)24-17-11-23-10-12-4-2-3-5-14(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)/t20-/m0/s1"	""	""	""
"12226"	"MAT-POS-b3e365b9-1"	""	"Synthetic organic"	""	""	""	""	"473153814"	"154878592"	""	""	""	""	""	""	""	"(4R)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-2H-chromene-4-carboxamide"	""	""	"C1COc2c([C@@H]1C(=O)Nc1cncc3ccccc13)cc(cc2)Cl"	"QRUNNMAOPKEFMJ-OAHLLOKOSA-N"	"InChI=1S/C19H15ClN2O2/c20-13-5-6-18-16(9-13)15(7-8-24-18)19(23)22-17-11-21-10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H,22,23)/t15-/m1/s1"	""	""	""
"13003"	"MAT-POS-e194df51-1"	""	"Synthetic organic"	""	""	""	""	"485206124"	"156906151"	""	""	""	""	""	""	""	"(4S)-6-chloro-2-[(1-cyanocyclopropyl)methylsulfonyl]-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide"	""	""	"ClC1=CC2=C(CN(C[C@H]2C(=O)NC3=C4C=CC=CC4=CN=C3)S(=O)(=O)CC5(CC5)C#N)C=C1"	"YAYDSAMHSQCKIM-OAQYLSRUSA-N"	"InChI=1S/C24H21ClN4O3S/c25-18-6-5-17-12-29(33(31,32)15-24(14-26)7-8-24)13-21(20(17)9-18)23(30)28-22-11-27-10-16-3-1-2-4-19(16)22/h1-6,9-11,21H,7-8,12-13,15H2,(H,28,30)/t21-/m1/s1"	""	""	""
"6655"	"matrix metalloproteinase 1"	"Human"	"Peptide"	""	""	""	""	"178103267"	"0"	"P45452"	"ENSG00000196611"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6656"	"matrix metalloproteinase 13"	"Human"	"Peptide"	""	""	""	""	"178103268"	"0"	"P45452"	"ENSG00000137745"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4472"	"matrix metalloproteinase 2"	"Rat"	"Peptide"	""	""	""	""	"178101205"	"0"	"P33436"	"ENSRNOG00000016695"	""	""	""	""	""	""	""	"72 kDa type IV collagenase|gelatinase A|MMP-2"	""	""	""	""	""	""
"4470"	"matrix metalloproteinase 2"	"Human"	"Peptide"	""	""	""	""	"178101203"	"0"	"P08253"	"ENSG00000087245"	""	""	""	""	""	""	""	"72 kDa type IV collagenase|MMP-2"	""	""	""	""	""	""
"4471"	"matrix metalloproteinase 2"	"Mouse"	"Peptide"	""	""	""	""	"178101204"	"0"	"P33434"	"ENSMUSG00000031740"	""	""	""	""	""	""	""	"72 kDa type IV collagenase|gelatinase A|MMP-2"	""	""	""	""	""	""
"2332"	"maurotoxin"	""	"Peptide"	""	""	""	""	"135652279"	"0"	"P80719"	""	""	""	""	""	""	""	""	"MTX|potassium channel toxin &alpha;-KTx 6.2"	""	""	""	""	""	""
"11265"	"mavacamten"	""	"Synthetic organic"	"yes"	""	""	""	"434321700"	"117761397"	""	""	"CHEMBL4297517"	""	""	""	""	"6-[[(1S)-1-phenylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione"	"mavacamten"	"Camzyos&reg;|MYK-461|MYK461"	"C[C@@H](c1ccccc1)Nc1cc(=O)n(c(=O)[nH]1)C(C)C"	"RLCLASQCAPXVLM-NSHDSACASA-N"	"InChI=1S/C15H19N3O2/c1-10(2)18-14(19)9-13(17-15(18)20)16-11(3)12-7-5-4-6-8-12/h4-11,16H,1-3H3,(H,17,20)/t11-/m0/s1"	""	""	""
"12755"	"mavatrep"	""	"Synthetic organic"	""	""	""	""	"483123303"	"17751090"	""	""	"CHEMBL2364618"	""	""	""	""	"2-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol"	"mavatrep"	"compound 4 [PMID: 25850459]|JNJ-39439335|JNJ39439335"	"CC(C)(C1=CC=CC=C1C2=CC3=C(C=C2)N=C(N3)/C=C/C4=CC=C(C=C4)C(F)(F)F)O"	"ORDHXXHTBUZRCN-NTEUORMPSA-N"	"InChI=1S/C25H21F3N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28/h3-15,31H,1-2H3,(H,29,30)/b14-9+"	""	""	""
"9765"	"mavelertinib"	""	"Synthetic organic"	""	""	""	""	"354702238"	"91668194"	""	""	""	""	""	""	""	"N-[(3R,4R)-4-fluoro-1-[6-[(3-methoxy-1-methylpyrazol-4-yl)amino]-9-methylpurin-2-yl]pyrrolidin-3-yl]prop-2-enamide"	"mavelertinib"	"compound 21 [PMID: 28287730]|PF-06747775|PF06747775"	"C=CC(=O)N[C@@H]1CN(C[C@H]1F)c1nc(Nc2cn(nc2OC)C)c2c(n1)n(C)cn2"	"JYIUNVOCEFIUIU-GHMZBOCLSA-N"	"InChI=1S/C18H22FN9O2/c1-5-13(29)21-11-8-28(6-10(11)19)18-23-15(14-16(24-18)26(2)9-20-14)22-12-7-27(3)25-17(12)30-4/h5,7,9-11H,1,6,8H2,2-4H3,(H,21,29)(H,22,23,24)/t10-,11-/m1/s1"	""	""	""
"7586"	"mavoglurant"	""	"Synthetic organic"	""	""	""	""	"223365921"	"9926832"	""	""	"CHEMBL3087515"	""	""	""	""	"methyl (3aR,4S,7aR)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate"	"mavoglurant"	"AFQ-056"	"COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(c1)C"	"ZFPZEYHRWGMJCV-ZHALLVOQSA-N"	"InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1"	""	""	""
"8580"	"mavorixafor"	""	"Synthetic organic"	"yes"	""	""	""	"252166781"	"11256587"	""	""	"CHEMBL518924"	""	""	""	""	"N-(1H-benzimidazol-2-ylmethyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine"	"mavorixafor"	"AMD 070|AMD-070|AMD-11070|AMD11070|compound 2 [PMID: 20297846]|X4P-001|X4P-001-IO|X4P-001-LD|Xolremdi&reg;"	"NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2"	"WVLHHLRVNDMIAR-IBGZPJMESA-N"	"InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1"	"yes"	""	""
"7785"	"mavrilimumab"	""	"Antibody"	""	""	""	""	"223366117"	"0"	""	""	""	""	""	""	""	""	"mavrilimumab"	"CAM-3001|KPL-301"	""	""	""	"yes"	""	""
"2784"	"maxacalcitol"	""	"Synthetic organic"	""	""	""	""	"135651387"	"6398761"	""	""	"CHEMBL333950"	""	""	""	""	"(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol"	"maxacalcitol"	"22-oxa-1&alpha;,25(OH)2D3|22-oxacalcitriol|OCT"	"O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](OCCC(O)(C)C)C)C)/C1"	"DTXXSJZBSTYZKE-ZDQKKZTESA-N"	"InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1"	""	""	""
"2264"	"maxadilan"	""	"Peptide"	""	""	""	""	"135652280"	"0"	"P30659"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2265"	"Max.d.4"	""	"Peptide"	""	""	""	""	"178100226"	"0"	""	""	""	""	""	""	""	""	""	"des-(Leu<sup>24</sup>-Leu<sup>42</sup>)-maxadilan|maxadilan &Delta;24-42"	""	""	""	""	""	""
"13924"	"mazdutide"	""	"Peptide"	"yes"	""	""	""	"513757609"	"167312357"	""	""	""	""	""	""	""	""	"mazdutide"	"compound 1 [US9938335B2]|IBI-362|IBI362|LY-3305677|LY3305677"	"C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N7CCC[C@H]7C(=O)N[C@@H](CO)C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)C(C)(C)NC(=O)[C@H](CC8=CNC=N8)N)O"	"XRBYWQZGSZWYEJ-HMQIFOERSA-N"	"InChI=1S/C207H317N45O65/c1-116(2)93-144(189(295)230-138(70-76-168(271)272)179(285)221-107-162(264)219-109-166(268)252-86-46-57-157(252)201(307)245-154(110-253)181(287)220-106-159(213)261)234-190(296)145(94-117(3)4)236-194(300)151(100-127-104-218-133-52-37-36-51-131(127)133)240-188(294)142(73-79-171(277)278)233-202(308)174(119(7)8)249-197(303)149(96-123-47-30-28-31-48-123)238-187(293)141(72-78-170(275)276)231-183(289)135(56-41-45-83-215-164(266)113-316-91-90-315-88-85-217-165(267)114-317-92-89-314-87-84-216-160(262)75-69-143(205(311)312)225-161(263)58-34-26-24-22-20-18-16-14-15-17-19-21-23-25-27-35-59-167(269)270)226-177(283)120(9)224-182(288)134(53-38-42-80-208)227-184(290)136(54-39-43-81-209)228-186(292)140(71-77-169(273)274)232-195(301)152(102-172(279)280)241-191(297)146(95-118(5)6)235-192(298)147(98-125-60-64-129(258)65-61-125)237-185(291)137(55-40-44-82-210)229-199(305)155(111-254)244-193(299)148(99-126-62-66-130(259)67-63-126)239-196(302)153(103-173(281)282)242-200(306)156(112-255)246-204(310)176(122(11)257)250-198(304)150(97-124-49-32-29-33-50-124)243-203(309)175(121(10)256)248-163(265)108-222-180(286)139(68-74-158(212)260)247-206(313)207(12,13)251-178(284)132(211)101-128-105-214-115-223-128/h28-33,36-37,47-52,60-67,104-105,115-122,132,134-157,174-176,218,253-259H,14-27,34-35,38-46,53-59,68-103,106-114,208-211H2,1-13H3,(H2,212,260)(H2,213,261)(H,214,223)(H,215,266)(H,216,262)(H,217,267)(H,219,264)(H,220,287)(H,221,285)(H,222,286)(H,224,288)(H,225,263)(H,226,283)(H,227,290)(H,228,292)(H,229,305)(H,230,295)(H,231,289)(H,232,301)(H,233,308)(H,234,296)(H,235,298)(H,236,300)(H,237,291)(H,238,293)(H,239,302)(H,240,294)(H,241,297)(H,242,306)(H,243,309)(H,244,299)(H,245,307)(H,246,310)(H,247,313)(H,248,265)(H,249,303)(H,250,304)(H,251,284)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,311,312)/t120-,121+,122+,132-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,174-,175-,176-/m0/s1"	""	""	""
"4797"	"mazindol"	""	"Synthetic organic"	"yes"	""	""	""	"178101499"	"4020"	""	""	"CHEMBL781"	""	""	""	""	"5-(4-chlorophenyl)-2H,3H,5H-imidazo[2,1-a]isoindol-5-ol"	"mazindol"	"Mazanor&reg;|Sanorex&reg;"	"Clc1ccc(cc1)C1(O)c2ccccc2C2=NCCN12"	"ZPXSCAKFGYXMGA-UHFFFAOYSA-N"	"InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2"	""	""	""
"12769"	"MB07344"	""	"Synthetic organic"	""	""	""	""	"483123317"	"15941848"	""	""	"CHEMBL471488"	""	""	""	""	"[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methylphosphonic acid"	""	"MB-07344"	"CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCP(=O)(O)O"	"SVXLLCKJKRYATC-UHFFFAOYSA-N"	"InChI=1S/C19H25O5P/c1-12(2)17-9-15(5-6-19(17)20)10-18-13(3)7-16(8-14(18)4)24-11-25(21,22)23/h5-9,12,20H,10-11H2,1-4H3,(H2,21,22,23)"	""	""	""
"1913"	"MB-28767"	""	"Synthetic organic"	""	""	""	""	"135650568"	"5311223"	""	""	""	""	""	""	""	"7-[(1R,2R)-2-[(E,3R)-3-hydroxy-4-(phenoxy)but-1-enyl]-5-oxocyclopentyl]heptanoic acid"	""	"Dpt-prostaglandin E1|M&amp;B 28767|M&amp;B-28767"	"OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O"	"NZGFSDWJUZOAAX-KAVAACISSA-N"	"InChI=1S/C22H30O5/c23-18(16-27-19-8-4-3-5-9-19)14-12-17-13-15-21(24)20(17)10-6-1-2-7-11-22(25)26/h3-5,8-9,12,14,17-18,20,23H,1-2,6-7,10-11,13,15-16H2,(H,25,26)/b14-12+/t17-,18+,20+/m0/s1"	""	""	""
"8393"	"MB-3"	""	"Synthetic organic"	""	""	""	""	"252166604"	"91827357"	""	""	""	""	""	""	""	"(2S,3S)-4,5-dioxo-2-propyloxolane-3-carboxylic acid"	""	"&alpha;-methylene-&gamma;-butyrolactone 3"	"CCC[C@@H]1OC(=O)C(=O)[C@H]1C(=O)O"	"AKWJFOMNTDKSRR-WHFBIAKZSA-N"	"InChI=1S/C8H10O5/c1-2-3-4-5(7(10)11)6(9)8(12)13-4/h4-5H,2-3H2,1H3,(H,10,11)/t4-,5-/m0/s1"	""	""	""
"1339"	"MBP10"	""	"Peptide"	""	""	""	""	"135652281"	"0"	""	""	""	""	""	""	""	""	""	"MBP 10|MBP-10"	""	""	""	""	""	""
"7038"	"MBP7"	""	"Peptide"	""	""	""	""	"178103617"	"155817498"	""	""	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)O"	"NZCFITBCFLGDFN-JEDGRRCBSA-N"	"InChI=1S/C41H78N16O11/c1-21(2)18-28(56-36(64)27(13-14-31(44)59)52-32(60)23(5)51-33(61)24(43)10-6-7-15-42)37(65)54-25(11-8-16-49-40(45)46)34(62)53-26(12-9-17-50-41(47)48)35(63)55-29(19-22(3)4)38(66)57-30(20-58)39(67)68/h21-30,58H,6-20,42-43H2,1-5H3,(H2,44,59)(H,51,61)(H,52,60)(H,53,62)(H,54,65)(H,55,63)(H,56,64)(H,57,66)(H,67,68)(H4,45,46,49)(H4,47,48,50)/t23-,24-,25-,26-,27-,28-,29-,30-/m0/s1"	""	""	""
"14411"	"MBX2319"	""	"Synthetic organic"	""	""	""	""	"523352203"	"1289417"	""	""	"CHEMBL3401827"	""	""	""	""	"3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[4,5-d]pyridine-5-carbonitrile"	""	""	"CC1(CC2=C(CO1)C(=NC(=C2C#N)SCCC3=CC=CC=C3)N4CCOCC4)C"	"CITLGGQQUFMBKB-UHFFFAOYSA-N"	"InChI=1S/C23H27N3O2S/c1-23(2)14-18-19(15-24)22(29-13-8-17-6-4-3-5-7-17)25-21(20(18)16-28-23)26-9-11-27-12-10-26/h3-7H,8-14,16H2,1-2H3"	""	""	"yes"
"10166"	"MBX-2982"	""	"Synthetic organic"	""	""	""	""	"381118876"	"25025505"	""	""	"CHEMBL3260505"	""	""	""	""	"2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole"	""	"MBX2982"	"CCc1cnc(nc1)N1CCC(CC1)c1scc(n1)COc1ccc(cc1)n1cnnn1"	"NFTMKHWBOINJGM-UHFFFAOYSA-N"	"InChI=1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-9-7-17(8-10-29)21-26-18(14-32-21)13-31-20-5-3-19(4-6-20)30-15-25-27-28-30/h3-6,11-12,14-15,17H,2,7-10,13H2,1H3"	""	""	""
"14294"	"MBX-4132"	""	"Synthetic organic"	""	""	""	""	"521588934"	"134691207"	""	""	""	""	""	""	""	"N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide"	""	""	"C1CN(CC2=CC=CC=C21)C(=O)NC3=NN=C(O3)C4=CC=C(C=C4)F"	"OZHWSOOZCIJFQN-UHFFFAOYSA-N"	"InChI=1S/C18H15FN4O2/c19-15-7-5-13(6-8-15)16-21-22-17(25-16)20-18(24)23-10-9-12-3-1-2-4-14(12)11-23/h1-8H,9-11H2,(H,20,22,24)"	""	""	"yes"
"11033"	"MC-02479"	""	"Synthetic organic"	""	""	""	""	"405560474"	"53435991"	""	""	""	""	""	""	""	"7-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[3-(2-aminoethylsulfanylmethyl)pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	""	"MC 02479|MC02479|RWJ 54428|RWJ-54428"	"NCCSCc1cnccc1SC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(=NO)c1nc(sc1Cl)N"	"LTUWUNMGTLOPNC-UHFFFAOYSA-N"	"InChI=1S/C20H20ClN7O5S4/c21-15-11(26-20(23)37-15)12(27-33)16(29)25-13-17(30)28-14(19(31)32)10(7-35-18(13)28)36-9-1-3-24-5-8(9)6-34-4-2-22/h1,3,5,13,18,33H,2,4,6-7,22H2,(H2,23,26)(H,25,29)(H,31,32)"	""	""	"yes"
"13985"	"MC12"	""	"Synthetic organic"	""	""	""	""	"518520612"	"176516510"	""	""	""	""	""	""	""	"5-chloropyridin-3-yl 2-[cyclohexyl(methyl)amino]-1,3-thiazole-4-carboxylate"	""	""	"CN(C1CCCCC1)C2=NC(=CS2)C(=O)OC3=CC(Cl)=CN=C3"	"QEDPJUNQAYECCT-UHFFFAOYSA-N"	"InChI=1S/C16H18ClN3O2S/c1-20(12-5-3-2-4-6-12)16-19-14(10-23-16)15(21)22-13-7-11(17)8-18-9-13/h7-10,12H,2-6H2,1H3"	""	""	""
"778"	"MC148R"	""	"Peptide"	""	""	""	""	"135652282"	"0"	""	""	""	""	""	""	""	""	""	"MC 148|MC 148 CC chemokine"	""	""	""	""	""	""
"11121"	"MC1568"	""	"Synthetic organic"	""	""	""	""	"434122181"	"11381449"	""	""	"CHEMBL191089"	""	""	""	""	""	""	"compound 2f [PMID: 15857140]|HDAC-IN-1|MC-1568"	"ONC(=O)/C=C/c1cc(cn1C)/C=C/C(=O)c1cccc(c1)F"	"QRDAPCMJAOQZSU-KQQUZDAGSA-N"	"InChI=1S/C17H15FN2O3/c1-20-11-12(9-15(20)6-8-17(22)19-23)5-7-16(21)13-3-2-4-14(18)10-13/h2-11,23H,1H3,(H,19,22)/b7-5+,8-6+"	""	""	""
"10671"	"MC2050"	""	"Synthetic organic"	""	""	""	""	"404859118"	"136201717"	""	""	""	""	""	""	""	"2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3H-quinazolin-4-one"	""	""	"O=c1[nH]c(SCCN2CCN(CC2)c2ccccn2)nc2c1cccc2"	"AFXJUCILCGBUNX-UHFFFAOYSA-N"	"InChI=1S/C19H21N5OS/c25-18-15-5-1-2-6-16(15)21-19(22-18)26-14-13-23-9-11-24(12-10-23)17-7-3-4-8-20-17/h1-8H,9-14H2,(H,21,22,25)"	""	""	""
"8228"	"MCC950"	""	"Synthetic organic"	""	""	""	""	"249565908"	"9910393"	""	""	"CHEMBL3183703"	""	""	""	""	"1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea"	""	"CP-456,773|CP-456773|CRID3|MCC-950"	"O=C(NS(=O)(=O)c1occ(c1)C(O)(C)C)Nc1c2CCCc2cc2c1CCC2"	"HUUSXLKCTQDPGL-UHFFFAOYSA-N"	"InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)"	"yes"	""	""
"1439"	"MCCG"	""	"Synthetic organic"	""	""	""	""	"135650569"	"5311457"	""	""	"CHEMBL41013"	""	""	""	""	"(1S,2S)-2-[(2S)-2-amino-1-hydroxy-1-oxopropan-2-yl]cyclopropane-1-carboxylic acid"	""	"MCCG-I"	"OC(=O)[C@H]1C[C@@H]1[C@@](C(=O)O)(N)C"	"KFACHLANPCGTFI-FVSJBQLASA-N"	"InChI=1S/C7H11NO4/c1-7(8,6(11)12)4-2-3(4)5(9)10/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)/t3-,4-,7-/m0/s1"	""	""	""
"1301"	"MCH (salmon)"	""	"Peptide"	""	""	""	""	"135652447"	"134824567"	""	""	""	""	""	""	""	""	""	"salmon melanin-concentrating hormone"	"CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)C(C)C"	"RNKJDHAVPKDCSA-KHBOZDSRSA-N"	"InChI=1S/C89H141N27O24S4/c1-43(2)67(112-76(129)57(29-35-144-9)105-79(132)61(41-141)110-72(125)54(19-13-31-98-88(93)94)103-73(126)56(28-34-143-8)106-84(137)70(46(7)117)115-71(124)51(90)38-66(122)123)82(135)101-40-64(119)102-53(18-12-30-97-87(91)92)74(127)113-68(44(3)4)83(136)109-59(36-47-22-24-49(118)25-23-47)77(130)107-58(20-14-32-99-89(95)96)85(138)116-33-15-21-63(116)81(134)111-62(42-142)80(133)108-60(37-48-39-100-52-17-11-10-16-50(48)52)78(131)104-55(26-27-65(120)121)75(128)114-69(45(5)6)86(139)140/h10-11,16-17,22-25,39,43-46,51,53-63,67-70,100,117-118,141-142H,12-15,18-21,26-38,40-42,90H2,1-9H3,(H,101,135)(H,102,119)(H,103,126)(H,104,131)(H,105,132)(H,106,137)(H,107,130)(H,108,133)(H,109,136)(H,110,125)(H,111,134)(H,112,129)(H,113,127)(H,114,128)(H,115,124)(H,120,121)(H,122,123)(H,139,140)(H4,91,92,97)(H4,93,94,98)(H4,95,96,99)/t46-,51+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,67+,68+,69+,70+/m1/s1"	""	""	""
"1293"	"MCH<sub>6-17</sub>"	""	"Peptide"	""	""	""	""	"135652283"	"101110542"	""	""	""	""	""	""	""	""	""	"melanin-concentrating hormone (6-17)"	"CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C"	"ZPYOSWSJKAUFEF-AGPCLTJXSA-N"	"InChI=1S/C67H106N22O14S3/c1-35(2)28-46(83-56(94)44(22-27-106-5)81-59(97)49(33-104)86-54(92)41(68)13-8-23-75-65(69)70)55(93)79-32-52(91)80-43(15-9-24-76-66(71)72)57(95)88-53(36(3)4)62(100)84-47(29-37-18-20-39(90)21-19-37)58(96)82-45(16-10-25-77-67(73)74)63(101)89-26-11-17-51(89)61(99)87-50(34-105)60(98)85-48(64(102)103)30-38-31-78-42-14-7-6-12-40(38)42/h6-7,12,14,18-21,31,35-36,41,43-51,53,78,90,104-105H,8-11,13,15-17,22-30,32-34,68H2,1-5H3,(H,79,93)(H,80,91)(H,81,97)(H,82,96)(H,83,94)(H,84,100)(H,85,98)(H,86,92)(H,87,99)(H,88,95)(H,102,103)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t41-,43-,44-,45-,46-,47-,48-,49-,50-,51-,53-/m0/s1"	""	""	""
"1340"	"MCL0129"	""	"Synthetic organic"	""	""	""	""	"135650570"	"6918688"	""	""	""	""	""	""	""	"1-[(1S)-1-(4-fluorophenyl)-2-[4-[4-(2-methoxynaphthalen-1-yl)butyl]piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine"	""	"MCL-0129|TCMDC-134847"	"COc1ccc2c(c1CCCCN1CCN(CC1)C[C@H](c1ccc(cc1)F)N1CCN(CC1)C(C)C)cccc2"	"SLGLZEJKMBCODK-MGBGTMOVSA-N"	"InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1"	""	""	""
"290"	"McN-A-343"	""	"Synthetic organic"	""	""	""	""	"135650571"	"5926"	""	""	"CHEMBL74300"	""	""	""	""	"4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium chloride"	""	""	"O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-]"	"CXFZFEJJLNLOTA-UHFFFAOYSA-N"	"InChI=1S/C14H17ClN2O2.ClH/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13;/h6-8,11H,9-10H2,1-3H3;1H"	""	""	""
"12419"	"MCOPPB"	""	"Synthetic organic"	""	""	""	""	"479821210"	"24800108"	""	""	"CHEMBL481512"	""	""	""	""	"1-[1-(1-methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazole"	""	"compound 1 [PMID: 19125610]"	"CC1(CCCCCCC1)N2CCC(CC2)N3C(=NC4=C3C=CC=C4)[C@H]5CNCCC5"	"CYYNMPPFEJPBJD-OAQYLSRUSA-N"	"InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m1/s1"	""	""	""
"1373"	"(+)-MCPG"	""	"Synthetic organic"	""	""	""	""	"135650572"	"446355"	""	""	"CHEMBL257626"	""	""	""	""	"4-[(2S)-2-amino-1-hydroxy-1-oxopropan-2-yl]benzoic acid"	""	"alpha-Mcpg|alpha-methyl-4-carboxyphenylglycine|alpha-methyl-cpgly"	"OC(=O)c1ccc(cc1)[C@@](C(=O)O)(N)C"	"DNCAZYRLRMTVSF-JTQLQIEISA-N"	"InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1"	""	""	""
"9110"	"MCS110"	""	"Antibody"	""	""	""	""	"315661195"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"4905"	"M-CSF"	"Human"	"Peptide"	""	""	""	""	"178101604"	"0"	"P09603"	"ENSG00000184371"	""	""	""	""	""	""	""	"CSF-1|lanimostim|macrophage-CSF"	""	""	""	"yes"	""	""
"14106"	"MCUF-42"	""	"Synthetic organic"	""	""	""	""	"518520733"	"176516521"	""	""	""	""	""	""	""	"3-{1-[5-(2,5-dichlorophenyl)furan-2-carbothioyl]piperidin-4-yl}propanenitrile"	""	"compound 24 [PMID: 38894878]"	"ClC1=CC(C2=CC=C(O2)C(=S)N3CCC(CCC#N)CC3)=C(Cl)C=C1"	"DXYDISLBSILOKR-UHFFFAOYSA-N"	"InChI=1S/C19H18Cl2N2OS/c20-14-3-4-16(21)15(12-14)17-5-6-18(24-17)19(25)23-10-7-13(8-11-23)2-1-9-22/h3-6,12-13H,1-2,7-8,10-11H2"	""	""	""
"14133"	"MCU-i11"	""	"Synthetic organic"	""	""	""	""	"518520760"	"16010455"	""	""	"CHEMBL1356170"	""	""	""	""	""	""	""	"CCOC1=CC=C(C=C1)NC(=O)CN2C3=C(C4=C(S3)CN(CC4)C(=O)C)C(=O)N(C2=O)CC5=CC=CC=C5"	"YKJDMJLUMXISKF-UHFFFAOYSA-N"	"InChI=1S/C28H28N4O5S/c1-3-37-21-11-9-20(10-12-21)29-24(34)17-32-27-25(22-13-14-30(18(2)33)16-23(22)38-27)26(35)31(28(32)36)15-19-7-5-4-6-8-19/h4-12H,3,13-17H2,1-2H3,(H,29,34)"	""	""	""
"14134"	"MCU-i4"	""	"Synthetic organic"	""	""	""	""	"518520761"	"1568449"	""	""	"CHEMBL1329382"	""	""	""	""	"ethyl 4-[4-(diethylamino)anilino]-6-methylquinoline-3-carboxylate"	""	""	"CCN(CC)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC=C2C(=O)OCC)C"	"RIWXBJCWHVMATR-UHFFFAOYSA-N"	"InChI=1S/C23H27N3O2/c1-5-26(6-2)18-11-9-17(10-12-18)25-22-19-14-16(4)8-13-21(19)24-15-20(22)23(27)28-7-3/h8-15H,5-7H2,1-4H3,(H,24,25)"	""	""	""
"11725"	"MD-222"	""	"Synthetic organic"	""	""	""	""	"458923760"	"131988640"	""	""	"CHEMBL4436772"	""	""	""	""	""	""	"compound 13 [PMID: 30525597]|MD222"	"Clc1ccc2c(NC(=O)[C@]32C2(CCCCC2)N[C@@H](C(=O)Nc2ccc(C(=O)NCCCCCc4cccc5C(=O)N(Cc45)C4C(=O)NC(=O)CC4)cc2)[C@@H]3c2cccc(Cl)c2F)c1"	"RRSNDVCODIMOFX-MPKOGUQCSA-N"	"InChI=1S/C48H47Cl2FN6O6/c49-29-16-19-34-36(25-29)54-46(63)48(34)39(32-12-8-13-35(50)40(32)51)41(56-47(48)22-4-2-5-23-47)44(61)53-30-17-14-28(15-18-30)42(59)52-24-6-1-3-9-27-10-7-11-31-33(27)26-57(45(31)62)37-20-21-38(58)55-43(37)60/h7-8,10-19,25,37,39,41,56H,1-6,9,20-24,26H2,(H,52,59)(H,53,61)(H,54,63)(H,55,58,60)/t37?,39-,41+,48+/m0/s1"	""	""	""
"12914"	"MD-224"	""	"Synthetic organic"	""	""	""	""	"485206035"	"131986956"	""	""	"CHEMBL5187116"	""	""	""	""	""	""	"MD224"	"C1CCC2(CC1)[C@@]3([C@H]([C@@H](N2)C(=O)NC4=CC=C(C=C4)C(=O)NCCCC#CC5=C6CN(C(=O)C6=CC=C5)C7CCC(=O)NC7=O)C8=C(C(=CC=C8)Cl)F)C9=C(C=C(C=C9)Cl)NC3=O"	"ZLGNYFOIDAVMHY-MPKOGUQCSA-N"	"InChI=1S/C48H43Cl2FN6O6/c49-29-16-19-34-36(25-29)54-46(63)48(34)39(32-12-8-13-35(50)40(32)51)41(56-47(48)22-4-2-5-23-47)44(61)53-30-17-14-28(15-18-30)42(59)52-24-6-1-3-9-27-10-7-11-31-33(27)26-57(45(31)62)37-20-21-38(58)55-43(37)60/h7-8,10-19,25,37,39,41,56H,1-2,4-6,20-24,26H2,(H,52,59)(H,53,61)(H,54,63)(H,55,58,60)/t37?,39-,41+,48+/m0/s1"	""	""	""
"13458"	"MD5"	""	"Peptide"	""	""	""	""	"500839868"	"172011802"	""	""	""	""	""	""	""	""	""	"compound B  [PMID: 39028865]"	"O=C(C1=NC2=C(C=CC=C2)S1)[C@H](CCCNC(N)=N)NC([C@H](C3CCCCC3)NC([C@H](CC4=CSC=N4)NC(CCC5=CC=CC=C5)=O)=O)=O"	"JGROXKKMPXLGHO-QYDYLWNGSA-N"	"InChI=1S/C36H44N8O4S2/c37-36(38)39-19-9-15-27(32(46)35-43-26-14-7-8-16-29(26)50-35)42-34(48)31(24-12-5-2-6-13-24)44-33(47)28(20-25-21-49-22-40-25)41-30(45)18-17-23-10-3-1-4-11-23/h1,3-4,7-8,10-11,14,16,21-22,24,27-28,31H,2,5-6,9,12-13,15,17-20H2,(H,41,45)(H,42,48)(H,44,47)(H4,37,38,39)/t27-,28-,31-/m0/s1"	""	""	""
"9888"	"MDG 548"	""	"Synthetic organic"	""	""	""	""	"363894182"	"1020637"	""	""	"CHEMBL2064741"	""	""	""	""	"5-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione"	""	"compound 1 [PMID: 22582973]|MDG-548|MDG548"	"S=C1NC(=O)C(=Cc2ccc(c(c2)Cl)OCc2ccccc2)C(=O)N1"	"WJNBKDZARWFFKR-UHFFFAOYSA-N"	"InChI=1S/C18H13ClN2O3S/c19-14-9-12(8-13-16(22)20-18(25)21-17(13)23)6-7-15(14)24-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,20,21,22,23,25)"	"yes"	""	""
"6218"	"MDIP"	""	"Synthetic organic"	""	""	""	""	"178102839"	"4250909"	""	""	"CHEMBL595840"	""	""	""	""	"5-methyl-3,6-di(phenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one"	""	""	"Cn1c(cc2c(c1=O)c(no2)c1ccccc1)c1ccccc1"	"LCNDUGHNYMJGIW-UHFFFAOYSA-N"	"InChI=1S/C19H14N2O2/c1-21-15(13-8-4-2-5-9-13)12-16-17(19(21)22)18(20-23-16)14-10-6-3-7-11-14/h2-12H,1H3"	""	""	""
"11357"	"MDL12330A (parent)"	""	"Synthetic organic"	""	""	""	""	"440816726"	"6917817"	""	""	"CHEMBL119336"	""	""	""	""	"N-[(1S,2S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine"	""	"MDL 12330A|MDL-12330A|RMI 12330A|RMI12330A"	"C1CCCCCN=C(CCCCC1)N[C@H]1CCC[C@H]1c1ccccc1"	"RTRIXVOSRYRSBP-VXKWHMMOSA-N"	"InChI=1S/C23H36N2/c1-2-4-6-11-18-23(24-19-12-7-5-3-1)25-22-17-13-16-21(22)20-14-9-8-10-15-20/h8-10,14-15,21-22H,1-7,11-13,16-19H2,(H,24,25)/t21-,22-/m0/s1"	""	""	""
"10745"	"MDL-28170"	""	"Synthetic organic"	""	""	""	""	"405560188"	"72430"	""	""	""	""	""	""	""	"benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]carbamate"	""	"calpain inhibitor III|MDL28170|N-benzyloxycarbonyl-L-valyl-L-phenylalaninal|N-CBZ-Val-Phe-al"	"O=C[C@@H](NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1)Cc1ccccc1"	"NGBKFLTYGSREKK-PMACEKPBSA-N"	"InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1"	""	""	""
"14602"	"MDL 29,951"	""	"Synthetic organic"	""	""	""	""	"530846850"	"446916"	""	""	"CHEMBL31344"	""	""	""	""	"3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid"	""	"MDL 29951|MDL-29951|MDL29,951"	"C(=O)(O)C=1NC2=CC(=CC(=C2C1CCC(=O)O)Cl)Cl"	"KNBSYZNKEAWABY-UHFFFAOYSA-N"	"InChI=1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)"	""	""	""
"10123"	"MDL-800"	""	"Synthetic organic"	""	""	""	""	"381118833"	"134717374"	""	""	""	""	""	""	""	"methyl 2-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]-5-(3,5-dichlorobenzenesulfonamido)benzoate"	""	""	"COC(=O)c1cc(ccc1S(=O)(=O)Nc1cc(Br)c(cc1C)F)NS(=O)(=O)c1cc(Cl)cc(c1)Cl"	"FKFQBYBODAKGOA-UHFFFAOYSA-N"	"InChI=1S/C21H16BrCl2FN2O6S2/c1-11-5-18(25)17(22)10-19(11)27-35(31,32)20-4-3-14(9-16(20)21(28)33-2)26-34(29,30)15-7-12(23)6-13(24)8-15/h3-10,26-27H,1-2H3"	""	""	""
"4574"	"MDMA"	""	"Synthetic organic"	""	""	""	""	"178101295"	"1615"	""	""	"CHEMBL43048"	""	""	""	""	"[1-(2H-1,3-benzodioxol-5-yl)propan-2-yl](methyl)amine"	""	"3,4-methylenedioxymethamphetamine|ecstasy|midomafetamine"	"CNC(Cc1ccc2c(c1)OCO2)C"	"SHXWCVYOXRDMCX-UHFFFAOYSA-N"	"InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3"	""	""	""
"10178"	"MDMB-Fubinaca"	""	"Synthetic organic"	""	""	""	""	"381118888"	"119025665"	""	""	""	""	""	""	""	"methyl (2S)-2-[[1-[(4-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3,3-dimethylbutanoate"	""	"Fub-mdmb|Mdmb-bz-F|Mdmb-fub"	"COC(=O)[C@H](C(C)(C)C)NC(=O)c1nn(c2c1cccc2)Cc1ccc(cc1)F"	"RFCDVEHNYDVCMU-LJQANCHMSA-N"	"InChI=1S/C22H24FN3O3/c1-22(2,3)19(21(28)29-4)24-20(27)18-16-7-5-6-8-17(16)26(25-18)13-14-9-11-15(23)12-10-14/h5-12,19H,13H2,1-4H3,(H,24,27)/t19-/m1/s1"	""	""	""
"13321"	"MDOLL-0229"	""	"Synthetic organic"	""	""	""	""	"496703291"	"1358501"	""	""	""	""	""	""	""	"(1R,2R)-2-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid"	""	"compound 27 [PMID: 38592023]|MDOLL0229"	"COC(=O)C=1C2=C(SC1NC(=O)[C@H]3[C@@H](CCCC3)C(=O)O)CCCCCC2"	"FLTXXOCJBMXERF-CHWSQXEVSA-N"	"InChI=1S/C20H27NO5S/c1-26-20(25)16-14-10-4-2-3-5-11-15(14)27-18(16)21-17(22)12-8-6-7-9-13(12)19(23)24/h12-13H,2-11H2,1H3,(H,21,22)(H,23,24)/t12-,13-/m1/s1"	""	""	""
"9506"	"MDP-rhodamine"	""	"Synthetic organic"	""	""	"yes"	""	"329968445"	"124221656"	""	""	""	""	""	""	""	""	""	"MDP-Hex-Rhodamine B"	"CCN(c1ccc2c(c1)oc1c(c2c2ccc(cc2C(=O)O)NC(=S)NCCCCCC(=O)OC[C@H]2O[C@@H](O)[C@@H]([C@H]([C@@H]2O)O[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N)CCC(=O)O)C)C)NC(=O)C)ccc(=[N+](CC)CC)c1)CC"	"WIKKPYADGXLQLA-FREYQMBCSA-O"	"InChI=1S/C54H72N8O15S/c1-8-61(9-2)33-17-20-36-40(26-33)76-41-27-34(62(10-3)11-4)18-21-37(41)45(36)35-19-16-32(25-38(35)52(71)72)59-54(78)56-24-14-12-13-15-44(66)74-28-42-47(67)48(46(53(73)77-42)58-31(7)63)75-30(6)51(70)57-29(5)50(69)60-39(49(55)68)22-23-43(64)65/h16-21,25-27,29-30,39,42,46-48,53,67,73H,8-15,22-24,28H2,1-7H3,(H8,55,56,57,58,60,63,64,65,68,69,70,71,72,78)/p+1/t29-,30+,39+,42+,46+,47+,48+,53+/m0/s1"	""	""	""
"8468"	"ME0328"	""	"Synthetic organic"	""	""	""	""	"252166678"	"135566764"	""	""	"CHEMBL3092537"	""	""	""	""	"3-(4-oxo-1H-quinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide"	""	"compound 5b [PMID 24188023]|ME-0328"	"O=C(N[C@H](c1ccccc1)C)CCc1nc(=O)c2c([nH]1)cccc2"	"QIHBWVVVRYYYRO-ZDUSSCGKSA-N"	"InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1"	""	""	""
"13948"	"ME1071"	""	"Synthetic organic"	""	""	""	""	"513757633"	"3081281"	""	""	"CHEMBL1741101"	""	""	""	""	"(Z)-2,3-diethylbut-2-enedioic acid"	""	""	"CC/C(=C(\CC)/C(=O)O)/C(=O)O"	"HAHASQAKYSVXBE-WAYWQWQTSA-N"	"InChI=1S/C8H12O4/c1-3-5(7(9)10)6(4-2)8(11)12/h3-4H2,1-2H3,(H,9,10)(H,11,12)/b6-5-"	""	""	"yes"
"11045"	"ME-1228 acid"	""	"Synthetic organic"	""	""	""	""	"405560486"	"9577435"	""	""	""	""	""	""	""	"(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1S)-1-carboxyethoxy]iminoacetyl]amino]-3-[(1-ethylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	""	"ME1228"	"CC[n+]1ccc(cc1)SCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N/O[C@H](C(=O)O)C)/c1csc(n1)N"	"HJXPKHCLLLRQDL-HFCXZPKYSA-O"	"InChI=1S/C23H24N6O7S3/c1-3-28-6-4-13(5-7-28)37-8-12-9-38-20-16(19(31)29(20)17(12)22(34)35)26-18(30)15(14-10-39-23(24)25-14)27-36-11(2)21(32)33/h4-7,10-11,16,20H,3,8-9H2,1-2H3,(H4-,24,25,26,30,32,33,34,35)/p+1/b27-15+/t11-,16+,20+/m0/s1"	""	""	"yes"
"7961"	"ME-344"	""	"Synthetic organic"	""	""	""	""	"249565644"	"68026984"	""	""	""	""	""	""	""	"(3R,4S)-3,4-bis(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol"	""	""	"Oc1ccc(cc1)[C@@H]1COc2c([C@@H]1c1ccc(cc1)O)ccc(c2C)O"	"QVCAATSEPLQVBX-FPOVZHCZSA-N"	"InChI=1S/C22H20O4/c1-13-20(25)11-10-18-21(15-4-8-17(24)9-5-15)19(12-26-22(13)18)14-2-6-16(23)7-3-14/h2-11,19,21,23-25H,12H2,1H3/t19-,21-/m0/s1"	""	""	""
"1447"	"ME36"	""	"Synthetic organic"	""	""	""	""	"135652703"	"14487390"	""	""	""	""	""	""	""	"14-ethyl-6-[4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione"	""	"<i>N</i>-ethyl,<i>N</i>-methyl EM-A"	"CCN(C1CC(C)OC(C1O)OC1C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(=O)OC(CC)C(C(C(C(=O)C(CC1(C)O)C)C)O)(C)O)C"	"DYYAPFZVDGCKCL-UHFFFAOYSA-N"	"InChI=1S/C38H69NO13/c1-14-26-38(11,46)31(42)21(5)28(40)19(3)17-36(9,45)33(52-35-29(41)25(39(12)15-2)16-20(4)48-35)22(6)30(23(7)34(44)50-26)51-27-18-37(10,47-13)32(43)24(8)49-27/h19-27,29-33,35,41-43,45-46H,14-18H2,1-13H3"	""	""	""
"1448"	"ME4"	""	"Synthetic organic"	""	""	""	""	"135652704"	"83954"	""	""	"CHEMBL300004"	""	""	""	""	"(1R,2R,3S,4S,5R,8R,9S,10R,11R)-2-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-9,10-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one"	""	"EM-A enolether|erythromycin enol ether|ME-4"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C"	"JFVYXJKGJMUGRG-KJPZRSJGSA-N"	"InChI=1S/C37H65NO12/c1-14-25-37(10,43)30(40)20(4)28-18(2)16-36(9,50-28)32(49-34-27(39)24(38(11)12)15-19(3)45-34)21(5)29(22(6)33(42)47-25)48-26-17-35(8,44-13)31(41)23(7)46-26/h19-27,29-32,34,39-41,43H,14-17H2,1-13H3/t19-,20+,21+,22-,23+,24+,25-,26+,27-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1"	""	""	""
"1449"	"ME67"	""	"Synthetic organic"	""	""	""	""	"135652705"	"10032648"	""	""	""	""	""	""	""	"(1S,2R,3S,4S,5R,8R,9S,10S,11R)-2-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-10-hydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one"	""	"EM-B enolether"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H]([C@H]([C@@H]1C)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C"	"RVWZXQUMKFWVJM-GKMPZCCESA-N"	"InChI=1S/C37H65NO11/c1-14-26-20(4)28(39)21(5)30-18(2)16-37(10,49-30)33(48-35-29(40)25(38(11)12)15-19(3)44-35)22(6)31(23(7)34(42)46-26)47-27-17-36(9,43-13)32(41)24(8)45-27/h19-29,31-33,35,39-41H,14-17H2,1-13H3/t19-,20-,21-,22+,23-,24+,25+,26-,27+,28+,29-,31+,32+,33-,35+,36-,37+/m1/s1"	""	""	""
"5221"	"MEA"	""	"Metabolite"	""	""	""	""	"178101906"	"8890"	""	""	""	""	""	""	""	"N-(2-hydroxyethyl)tetradecanamide"	""	"N-myristoylethanolamine"	"CCCCCCCCCCCCCC(=O)NCCO"	"JHIXEZNTXMFXEK-UHFFFAOYSA-N"	"InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)17-14-15-18/h18H,2-15H2,1H3,(H,17,19)"	""	""	""
"4697"	"MeAIB"	""	"Synthetic organic"	""	""	""	""	"178101409"	"75725"	""	""	"CHEMBL1916079"	""	""	""	""	"2-methyl-2-(methylamino)propanoic acid"	""	"&alpha;-(methylamino)isobutyric acid|2-(methylamino)isobutyric acid"	"CNC(C(=O)O)(C)C"	"DLAMVQGYEVKIRE-UHFFFAOYSA-N"	"InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)"	""	""	""
"13427"	"mebendazole"	""	"Synthetic organic"	"yes"	""	""	""	"496703397"	"4030"	""	""	"CHEMBL685"	""	""	""	""	"methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate"	"mebendazole"	"Emverm&reg;|Vermox&reg;"	"COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3"	"OPXLLQIJSORQAM-UHFFFAOYSA-N"	"InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)"	""	""	""
"9011"	"mebeverine"	""	"Synthetic organic"	"yes"	""	""	""	"310264789"	"4031"	""	""	"CHEMBL282121"	""	""	""	""	"4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate"	"mebeverine"	"Colofac&reg;|CSAG-144|Duspatalin&reg;"	"COc1ccc(cc1)CC(N(CCCCOC(=O)c1ccc(c(c1)OC)OC)CC)C"	"VYVKHNNGDFVQGA-UHFFFAOYSA-N"	"InChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3"	""	""	""
"7807"	"ME bromodomain inhibitor"	""	"Synthetic organic"	""	""	""	""	"223366138"	"86277842"	""	""	""	""	""	""	""	"methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate"	""	""	"COC(=O)[C@@H]([C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC)C"	"FENXDXHDXYVGRJ-BLVKFPJESA-N"	"InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1"	""	""	""
"3990"	"mecamylamine"	""	"Synthetic organic"	"yes"	""	""	""	"178100816"	"4032"	""	""	"CHEMBL267936"	""	""	""	""	"N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine"	"mecamylamine"	""	"CNC1(C)C2CCC(C1(C)C)C2"	"IMYZQPCYWPFTAG-UHFFFAOYSA-N"	"InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3"	""	""	""
"7218"	"mechlorethamine"	""	"Synthetic organic"	"yes"	""	""	""	"178103792"	"4033"	""	""	"CHEMBL427"	""	""	""	""	"bis(2-chloroethyl)(methyl)amine"	"chlormethine"	"Ledaga&reg;|Mustargen&reg;|mustine|nitrogen mustard|nitrogen mustard N-oxide hydrochloride"	"ClCCN(CCCl)C"	"HAWPXGHAZFHHAD-UHFFFAOYSA-N"	"InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3"	""	""	""
"12813"	"mecillinam"	""	"Synthetic organic"	"yes"	""	""	""	"483123361"	"36273"	""	""	""	""	""	""	""	"(2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"mecillinam"	"amdinocillin|Coactin&reg;|FL 1060|Selexidin&reg;"	"CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)O)C"	"BWWVAEOLVKTZFQ-NTZNESFSSA-N"	"InChI=1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/t10-,11+,13-/m1/s1"	""	""	"yes"
"1582"	"meclinertant"	""	"Synthetic organic"	""	""	""	""	"135651079"	"119192"	""	""	"CHEMBL506981"	""	""	""	""	"2-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid"	"meclinertant"	"reminertant|SR-48692|SR48692"	"COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC"	"DYLJVOXRWLXDIG-UHFFFAOYSA-N"	"InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)"	""	""	""
"2757"	"meclizine"	""	"Synthetic organic"	"yes"	""	""	""	"135650575"	"4034"	""	""	"CHEMBL1623"	""	""	""	""	"1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine"	"meclozine"	"Antivert&reg;|Dramamine&reg;|Sea-Legs&reg;"	"Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1cccc(c1)C"	"OCJYIGYOJCODJL-UHFFFAOYSA-N"	"InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3"	""	""	""
"13540"	"meclocycline"	""	"Synthetic organic"	"yes"	""	""	""	"500839950"	"54676539"	""	""	"CHEMBL1237124"	""	""	""	""	"(4S,4aR,5S,5aR,12aS)-7-chloro-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylidene-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide"	"meclocycline"	"GS-2989|Meclan&reg;"	"O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(N)=O)C1=O)([C@@H](O)[C@]3(C(=C2O)C(=O)C=4C(C3=C)=C(Cl)C=CC4O)[H])[H]"	"GGQJXCQBBONZFX-IWVLMIASSA-N"	"InChI=1S/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,14-15,17,26,28-30,33H,1H2,2-3H3,(H2,24,32)/t10-,14-,15+,17+,22+/m1/s1"	""	""	"yes"
"7219"	"meclofenamic acid"	""	"Synthetic organic"	"yes"	""	""	""	"178103793"	"4037"	""	""	"CHEMBL509"	""	""	""	""	"2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid"	"meclofenamic acid"	"CL-583|INF-4668|Meclomen&reg;"	"OC(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C"	"SBDNJUWAMKYJOX-UHFFFAOYSA-N"	"InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)"	"yes"	""	""
"14687"	"medetomidine"	""	"Synthetic organic"	""	""	""	""	"530846935"	"68602"	""	""	"CHEMBL77921"	""	""	""	""	"5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole"	"medetomidine"	"(&plusmn;)medetomidine|(<i>RS</i>)-medetomidine|Domitor&reg: (veterinary drug)"	"CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C"	"CUHVIMMYOGQXCV-UHFFFAOYSA-N"	"InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)"	""	""	""
"1053"	"medica 16"	""	"Synthetic organic"	""	""	""	""	"135650576"	"121871"	""	""	"CHEMBL63829"	""	""	""	""	"3,3,14,14-Tetramethylhexadecanedioic acid"	""	"medic-16"	"OC(=O)CC(CCCCCCCCCCC(CC(=O)O)(C)C)(C)C"	"HYSMCRNFENOHJH-UHFFFAOYSA-N"	"InChI=1S/C20H38O4/c1-19(2,15-17(21)22)13-11-9-7-5-6-8-10-12-14-20(3,4)16-18(23)24/h5-16H2,1-4H3,(H,21,22)(H,23,24)"	""	""	""
"2879"	"medroxyprogesterone"	""	"Synthetic organic"	"yes"	""	""	""	"135650577"	"10631"	""	""	"CHEMBL1390"	""	""	""	""	"(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one"	"medroxyprogesterone"	"hydroxymethylprogesterone|MPA"	"O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C"	"FRQMUZJSZHZSGN-HBNHAYAOSA-N"	"InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1"	""	""	""
"7086"	"medrysone"	""	"Metabolite"	"yes"	""	""	""	"178103664"	"247839"	""	""	"CHEMBL1201173"	""	""	""	""	"(6S,8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-6,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one"	"medrysone"	"U-8471"	"O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C"	"GZENKSODFLBBHQ-ILSZZQPISA-N"	"InChI=1S/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1"	"yes"	""	""
"2593"	"mefenamic acid"	""	"Synthetic organic"	"yes"	""	""	""	"53801036"	"4044"	""	""	"CHEMBL686"	""	""	""	""	"2-[(2,3-Dimethylphenyl)amino]benzoic acid"	"mefenamic acid"	"CI-473|CN-35355|INF-3355|Ponstan&reg;|Ponstel&reg;"	"OC(=O)c1ccccc1Nc1cccc(c1C)C"	"HYYBABOKPJLUIN-UHFFFAOYSA-N"	"InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)"	"yes"	""	""
"4252"	"mefloquine"	""	"Synthetic organic"	"yes"	""	""	""	"178101069"	"4046"	""	""	"CHEMBL416956"	""	""	""	""	"[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol"	"mefloquine"	"GNF-Pf-5544|Lariam&reg;|Ro-21-5998-001|WR-142490"	"OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1"	"XEEQGYMUWCZPDN-UHFFFAOYSA-N"	"InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2"	""	"yes"	""
"9128"	"megestrol"	""	"Synthetic organic"	"yes"	""	""	""	"315661213"	"19090"	""	""	""	""	""	""	""	"(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one"	"megestrol"	"Chronopil|Magestin|Megace&reg;|megestryl acetate"	"O=C1CC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C)C"	"VXIMPSPISRVBPZ-NWUMPJBXSA-N"	"InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h11-12,16-18,25H,5-10H2,1-4H3/t16-,17+,18+,20-,21+,22+/m1/s1"	""	""	""
"2960"	"meglutol"	""	"Synthetic organic"	""	""	""	""	"178100248"	"1662"	""	""	"CHEMBL50444"	""	""	""	""	"3-hydroxy-3-methylpentanedioic acid"	"meglutol"	""	"OC(=O)CC(CC(=O)O)(O)C"	"NPOAOTPXWNWTSH-UHFFFAOYSA-N"	"InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)"	""	""	""
"6008"	"MEK1/2 inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102630"	"9549284"	""	""	"CHEMBL261237"	""	""	""	""	"(2Z)-3-amino-3-[(4-aminophenyl)sulfanyl]-2-[2-(trifluoromethyl)phenyl]prop-2-enenitrile"	""	"SL-327|SL327"	"N#C/C(=C(\Sc1ccc(cc1)N)/N)/c1ccccc1C(F)(F)F"	"JLOXTZFYJNCPIS-FYWRMAATSA-N"	"InChI=1S/C16H12F3N3S/c17-16(18,19)14-4-2-1-3-12(14)13(9-20)15(22)23-11-7-5-10(21)6-8-11/h1-8H,21-22H2/b15-13+"	""	""	""
"6006"	"MEK inhibitor I"	""	"Synthetic organic"	""	""	""	""	"178102628"	"9951490"	""	""	"CHEMBL37493"	""	""	""	""	"(2Z)-3-amino-3-[(2-aminophenyl)sulfanyl]-2-{3-[hydroxy(pyridin-4-yl)methyl]phenyl}prop-2-enenitrile"	""	""	"N#C/C(=C(\Sc1ccccc1N)/N)/c1cccc(c1)C(c1ccncc1)O"	"NHBMKTBZZSJUGA-HEHNFIMWSA-N"	"InChI=1S/C21H18N4OS/c22-13-17(21(24)27-19-7-2-1-6-18(19)23)15-4-3-5-16(12-15)20(26)14-8-10-25-11-9-14/h1-12,20,26H,23-24H2/b21-17+"	""	""	""
"6007"	"MEK inhibitor II"	""	"Synthetic organic"	""	""	""	""	"178102629"	"389898"	""	""	"CHEMBL404939"	""	""	""	""	"1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)pyrrolidine-2,5-dione"	""	"NSC-686549|NSC686549"	"O=C1CCC(=O)N1C1=C(Cl)C(=O)c2c(C1=O)cccc2"	"GYQSWJNGTWVFOL-UHFFFAOYSA-N"	"InChI=1S/C14H8ClNO4/c15-11-12(16-9(17)5-6-10(16)18)14(20)8-4-2-1-3-7(8)13(11)19/h1-4H,5-6H2"	""	""	""
"6260"	"MEL57A"	""	"Synthetic organic"	""	""	""	""	"178102880"	"46937420"	""	""	"CHEMBL1253475"	""	""	""	""	"3-[(Z)-4-[[(Z)-4-(7, 8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)but-2-enyl]-[(2R)-2-(3, 4-dimethoxyphenyl)propyl]amino]but-2-enyl]-7, 8-dimethoxy-1H-3-benzazepin-2-one"	""	""	"COc1cc(ccc1OC)[C@H](CN(C/C=C\CN1C=Cc2c(CC1=O)cc(c(c2)OC)OC)C/C=C\CN1C=Cc2c(CC1=O)cc(c(c2)OC)OC)C"	"WCJGGTAAPIAIJS-PSEQGZRXSA-N"	"InChI=1S/C43H51N3O8/c1-30(31-12-13-36(49-2)37(22-31)50-3)29-44(16-8-10-18-45-20-14-32-23-38(51-4)40(53-6)25-34(32)27-42(45)47)17-9-11-19-46-21-15-33-24-39(52-5)41(54-7)26-35(33)28-43(46)48/h8-15,20-26,30H,16-19,27-29H2,1-7H3/b10-8-,11-9-/t30-/m0/s1"	""	""	""
"6382"	"melagatran"	""	"Synthetic organic"	""	""	""	""	"178103000"	"183797"	""	""	"CHEMBL266349"	""	""	""	""	"2-[[(1R)-2-[(2S)-2-[(4-carbamimidoylphenyl)methylcarbamoyl]azetidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid"	"melagatran"	"H-319-68"	"OC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N)C1CCCCC1"	"DKWNMCUOEDMMIN-PKOBYXMFSA-N"	"InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1"	""	""	""
"5415"	"melanin"	""	"Metabolite"	""	""	""	""	"178102068"	"6325610"	""	""	""	""	""	""	""	"6,14-dimethyl-4,12-diazapentacyclo[8.6.1.1^{2,5}.0^{13,17}.0^{9,18}]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone"	""	""	"Cc1c2[nH]cc3c2c(c(=O)c1=O)c1c[nH]c2c1c3c(=O)c(=O)c2C"	"XUMBMVFBXHLACL-UHFFFAOYSA-N"	"InChI=1S/C18H10N2O4/c1-5-13-9-7(3-19-13)12-10-8(11(9)17(23)15(5)21)4-20-14(10)6(2)16(22)18(12)24/h3-4,19-20H,1-2H3"	""	""	""
"1298"	"melanin-concentrating hormone"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651807"	"16167454"	"P14200|P56942|P20382"	"ENSG00000183395|ENSMUSG00000035383"	""	""	""	""	""	""	""	""	"CSCCC1NC(=O)C(CSSCC(NC(=O)C2CCCN2C(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC1=O)C(C)C)CCCNC(=N)N)C(C)C)Cc1ccc(cc1)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)CCC(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(CC(=O)O)N)CCSC)CCCNC(=N)N"	"ORRDHOMWDPJSNL-UHFFFAOYSA-N"	"InChI=1S/C89H139N27O24S4/c1-43(2)67-82(135)101-40-64(119)102-53(18-12-30-97-87(91)92)74(127)113-68(44(3)4)83(136)109-59(36-47-22-24-49(118)25-23-47)77(130)107-58(20-14-32-99-89(95)96)85(138)116-33-15-21-63(116)81(134)111-62(80(133)108-60(37-48-39-100-52-17-11-10-16-50(48)52)78(131)104-55(26-27-65(120)121)75(128)114-69(45(5)6)86(139)140)42-144-143-41-61(79(132)105-57(29-35-142-9)76(129)112-67)110-72(125)54(19-13-31-98-88(93)94)103-73(126)56(28-34-141-8)106-84(137)70(46(7)117)115-71(124)51(90)38-66(122)123/h10-11,16-17,22-25,39,43-46,51,53-63,67-70,100,117-118H,12-15,18-21,26-38,40-42,90H2,1-9H3,(H,101,135)(H,102,119)(H,103,126)(H,104,131)(H,105,132)(H,106,137)(H,107,130)(H,108,133)(H,109,136)(H,110,125)(H,111,134)(H,112,129)(H,113,127)(H,114,128)(H,115,124)(H,120,121)(H,122,123)(H,139,140)(H4,91,92,97)(H4,93,94,98)(H4,95,96,99)"	""	""	""
"224"	"melatonin"	""	"Metabolite"	"yes"	""	""	""	"135651518"	"896"	""	""	"CHEMBL45"	""	""	""	""	"N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide"	""	"Circadin&reg;|MLT"	"COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2"	"DRLFMBDRBRZALE-UHFFFAOYSA-N"	"InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)"	"yes"	""	""
"14002"	"melittin"	""	"Peptide"	""	""	""	""	"518520629"	"16133648"	""	""	"CHEMBL412927"	""	""	""	""	""	""	""	"CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)CN"	"VDXZNPDIRNWWCW-JFTDCZMZSA-N"	"InChI=1S/C131H229N39O31/c1-23-71(16)102(163-97(176)60-135)122(194)146-62-98(177)148-74(19)109(181)164-100(69(12)13)124(196)160-88(55-65(4)5)116(188)155-84(41-30-33-51-134)115(187)165-101(70(14)15)125(197)161-90(57-67(8)9)118(190)168-106(77(22)173)128(200)169-105(76(21)172)123(195)147-63-99(178)150-92(58-68(10)11)129(201)170-54-36-44-94(170)121(193)149-75(20)108(180)158-89(56-66(6)7)117(189)166-104(73(18)25-3)127(199)162-93(64-171)120(192)159-91(59-78-61-145-80-38-27-26-37-79(78)80)119(191)167-103(72(17)24-2)126(198)157-83(40-29-32-50-133)111(183)154-85(42-34-52-143-130(139)140)112(184)152-82(39-28-31-49-132)110(182)153-86(43-35-53-144-131(141)142)113(185)156-87(46-48-96(137)175)114(186)151-81(107(138)179)45-47-95(136)174/h26-27,37-38,61,65-77,81-94,100-106,145,171-173H,23-25,28-36,39-60,62-64,132-135H2,1-22H3,(H2,136,174)(H2,137,175)(H2,138,179)(H,146,194)(H,147,195)(H,148,177)(H,149,193)(H,150,178)(H,151,186)(H,152,184)(H,153,182)(H,154,183)(H,155,188)(H,156,185)(H,157,198)(H,158,180)(H,159,192)(H,160,196)(H,161,197)(H,162,199)(H,163,176)(H,164,181)(H,165,187)(H,166,189)(H,167,191)(H,168,190)(H,169,200)(H4,139,140,143)(H4,141,142,144)/t71-,72-,73-,74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,100-,101-,102-,103-,104-,105-,106-/m0/s1"	""	""	"yes"
"9366"	"MELK-TI"	""	"Synthetic organic"	""	""	""	""	"328083468"	"73442760"	""	""	"CHEMBL3355059"	""	""	""	""	"2-methoxy-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide"	""	"compound 7 [PMID: 25589925]"	"COc1cc(ccc1C(=O)Nc1ccc2c(c1)CCNCC2)c1cn[nH]c1"	"GMZCYCKIXQZORP-UHFFFAOYSA-N"	"InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26)"	""	""	""
"7220"	"meloxicam"	""	"Synthetic organic"	"yes"	""	""	""	"178103794"	"54677470"	""	""	"CHEMBL599"	""	""	""	""	"4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1$l^{6},2-benzothiazine-3-carboxamide"	"meloxicam"	"Mobic&reg;|UHAC-62XX"	"Cc1cnc(s1)N=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)O"	"ZRVUJXDFFKFLMG-UHFFFAOYSA-N"	"InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)"	"yes"	""	""
"7620"	"melphalan"	""	"Synthetic organic"	"yes"	""	""	""	"223365955"	"460612"	""	""	"CHEMBL852"	""	""	""	""	"(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid"	"melphalan"	"Alkeran&reg;|CB-3025|L-phenylalanine mustard (L-PAM)|L-sarcolysine|melfalan|Phelinun&reg;|Sarcolysin&reg;"	"ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl"	"SGDBTWWWUNNDEQ-LBPRGKRZSA-N"	"InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1"	""	""	""
"11605"	"melphalan flufenamide"	""	"Synthetic organic"	"yes"	""	""	""	"442878639"	"9935639"	""	""	"CHEMBL4303060"	""	""	""	""	"ethyl (2S)-2-[[(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-(4-fluorophenyl)propanoate"	"melphalan flufenamide"	"Melflufen|Pepaxti&reg;|Pepaxto&reg;|Prodrug J 1|Prodrug J-1"	"ClCCN(c1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)OCC)Cc1ccc(cc1)F)N)CCCl"	"YQZNKYXGZSVEHI-VXKWHMMOSA-N"	"InChI=1S/C24H30Cl2FN3O3/c1-2-33-24(32)22(16-18-3-7-19(27)8-4-18)29-23(31)21(28)15-17-5-9-20(10-6-17)30(13-11-25)14-12-26/h3-10,21-22H,2,11-16,28H2,1H3,(H,29,31)/t21-,22-/m0/s1"	""	""	""
"4253"	"memantine"	""	"Synthetic organic"	"yes"	""	""	""	"178101070"	"4054"	""	""	"CHEMBL807"	""	""	""	""	"3,5-dimethyladamantan-1-amine"	"memantine"	"Axura&reg;|Ebixa&reg;|Namenda&reg;"	"CC12CC3CC(C1)(C)CC(C2)(C3)N"	"BUGYDGFZZOZRHP-UHFFFAOYSA-N"	"InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3"	""	""	""
"2116"	"MEN 10376"	""	"Peptide"	""	""	""	""	"135652284"	"124003"	""	""	"CHEMBL507824"	""	""	""	""	"(3S)-3-amino-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid"	""	"[Tyr5,D-Trp6,8,9,Lys10]-alpha-NEUROKININ A, Fragment 4-10|MEN-10,376|MEN-10376|neurokinin A(4-10), Tyr(5)-Trp(6,8,9)-Lys(10)-"	"NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccc(cc1)O"	"QQHOFZNACVKNHK-SXVLBCBNSA-N"	"InChI=1S/C57H68N12O10/c1-31(2)50(69-56(78)48(26-35-30-63-43-16-8-5-13-39(35)43)67-53(75)45(23-32-18-20-36(70)21-19-32)65-52(74)40(59)27-49(71)72)57(79)68-47(25-34-29-62-42-15-7-4-12-38(34)42)55(77)66-46(24-33-28-61-41-14-6-3-11-37(33)41)54(76)64-44(51(60)73)17-9-10-22-58/h3-8,11-16,18-21,28-31,40,44-48,50,61-63,70H,9-10,17,22-27,58-59H2,1-2H3,(H2,60,73)(H,64,76)(H,65,74)(H,66,77)(H,67,75)(H,68,79)(H,69,78)(H,71,72)/t40-,44-,45-,46+,47+,48+,50-/m0/s1"	""	""	""
"3901"	"MEN10627"	""	"Peptide"	""	""	""	""	"178100735"	"5311274"	""	""	""	""	""	""	""	"(1R,4S,7S,10R,13R,16S)-13-(1H-indol-3-ylmethyl)-4-(2-methylpropyl)-7-(2-methylsulfanylethyl)-16-(phenylmethyl)-3,6,9,12,15,18,20-heptazabicyclo[8.8.4]docosane-2,5,8,11,14,17,21-heptone"	""	"<i>cyc(2&beta;-5&beta;</i>)(Met-Asp-Trp-Phe-Dap-Leu)|MEN-10627"	"CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H]2CNC(=O)C[C@@H](NC1=O)C(=O)N[C@H](Cc1c[nH]c3c1cccc3)C(=O)N[C@H](C(=O)N2)Cc1ccccc1"	"CFDNUNSOUUFTQO-JYMVZIKVSA-N"	"InChI=1S/C38H48N8O7S/c1-21(2)15-27-34(49)41-26(13-14-54-3)33(48)45-30-18-32(47)40-20-31(38(53)42-27)46-35(50)28(16-22-9-5-4-6-10-22)43-36(51)29(44-37(30)52)17-23-19-39-25-12-8-7-11-24(23)25/h4-12,19,21,26-31,39H,13-18,20H2,1-3H3,(H,40,47)(H,41,49)(H,42,53)(H,43,51)(H,44,52)(H,45,48)(H,46,50)/t26-,27-,28-,29+,30+,31+/m0/s1"	""	""	""
"2471"	"(+)-menthol"	""	"Synthetic organic"	""	""	""	""	"135650579"	"165675"	""	""	"CHEMBL2106989"	""	""	""	""	"(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol"	"racementhol"	""	"C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C"	"NOOLISFMXDJSKH-AEJSXWLSSA-N"	"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m0/s1"	""	""	""
"2430"	"(-)-menthol"	""	"Natural product"	"yes"	""	""	""	"135651519"	"16666"	""	""	"CHEMBL470670"	""	""	""	""	"(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol"	"levomenthol|racementhol"	"l-menthol|levomenthol"	"C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C"	"NOOLISFMXDJSKH-KXUCPTDWSA-N"	"InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1"	""	""	""
"10172"	"mepacrine"	""	"Synthetic organic"	""	""	""	""	"381118882"	"237"	""	""	"CHEMBL7568"	""	""	""	""	"N'-(6-chloro-2-methoxyacridin-9-yl)-N,N-diethylpentane-1,4-diamine"	"mepacrine"	"Atabrine&reg;|quinacrine"	"CCN(CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC"	"GPKJTRJOBQGKQK-UHFFFAOYSA-N"	"InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)"	"yes"	"yes"	""
"10470"	"mepenzolic acid"	""	"Synthetic organic"	"yes"	""	""	""	"385612230"	"4057"	""	""	"CHEMBL524004"	""	""	""	""	"(1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate"	"mepenzolate bromide"	"(&plusmn;)-mepenzolate|Cantril&reg;|glycophenylate|mepenzolate|racemic mepenzolate"	"O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C"	"GKNPSSNBBWDAGH-UHFFFAOYSA-N"	"InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1"	""	""	""
"7222"	"mephentermine"	""	"Synthetic organic"	"yes"	""	""	""	"178103796"	"3677"	""	""	"CHEMBL1201234"	""	""	""	""	"methyl(2-methyl-1-phenylpropan-2-yl)amine"	"mephentermine"	"mephentermine sodium|mephentermine sulfate|Wyamine Sulfate&reg;"	"CNC(Cc1ccccc1)(C)C"	"RXQCGGRTAILOIN-UHFFFAOYSA-N"	"InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3"	""	""	""
"7223"	"mephenytoin"	""	"Synthetic organic"	"yes"	""	""	""	"178103797"	"4060"	""	""	"CHEMBL861"	""	""	""	""	"4-ethyl-2-hydroxy-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-5-one"	"mephenytoin"	"Mesantoin&reg;"	"CCC1(N=C(N(C1=O)C)O)c1ccccc1"	"GMHKMTDVRCWUDX-UHFFFAOYSA-N"	"InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)"	""	""	""
"7224"	"mepivacaine"	""	"Synthetic organic"	"yes"	""	""	""	"178103798"	"4062"	""	""	"CHEMBL1087"	""	""	""	""	"N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboximidic acid"	"mepivacaine"	"Carbocaine&reg;|mepivacaine hydrochloride|Polocaine&reg;"	"CN1CCCCC1C(=Nc1c(C)cccc1C)O"	"INWLQCZOYSRPNW-UHFFFAOYSA-N"	"InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)"	""	""	""
"11026"	"meplazumab"	""	"Antibody"	""	""	""	""	"405560467"	"0"	""	""	""	""	""	""	""	""	""	"HP6H8|Ketantin&reg;"	""	""	""	""	"yes"	""
"7685"	"mepolizumab"	""	"Antibody"	"yes"	""	""	""	"223366020"	"0"	""	""	""	""	""	""	""	""	"mepolizumab"	"Nucala&reg;|SB-240563"	""	""	""	"yes"	""	""
"7225"	"meprobamate"	""	"Synthetic organic"	"yes"	""	""	""	"178103799"	"4064"	""	""	"CHEMBL979"	""	""	""	""	"({2-[(C-hydroxycarbonimidoyloxy)methyl]-2-methylpentyl}oxy)carboximidic acid"	"meprobamate"	"Equanil&reg;|Meprospan&reg;|Miltown&reg;"	"CCCC(COC(=N)O)(COC(=N)O)C"	"NPPQSCRMBWNHMW-UHFFFAOYSA-N"	"InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)"	""	""	""
"9083"	"meptazinol"	""	"Synthetic organic"	"yes"	""	""	""	"315661168"	"41049"	""	""	"CHEMBL314437"	""	""	""	""	"3-(3-ethyl-1-methylazepan-3-yl)phenol"	"meptazinol"	"Meptid&reg;"	"CCC1(CCCCN(C1)C)c1cccc(c1)O"	"JLICHNCFTLFZJN-UHFFFAOYSA-N"	"InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3"	""	""	""
"1227"	"mepyramine"	""	"Synthetic organic"	"yes"	""	""	""	"135650867"	"4992"	""	""	"CHEMBL511"	""	""	""	""	"N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine"	"mepyramine"	"Anthisan&reg;|mepiramine|mepyramine maleate|pyrilamine|pyrilamine tannate|Pyrlex&reg;"	"COc1ccc(cc1)CN(c1ccccn1)CCN(C)C"	"YECBIJXISLIIDS-UHFFFAOYSA-N"	"InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3"	"yes"	""	""
"6827"	"mequinol"	""	"Synthetic organic"	"yes"	""	""	""	"178103433"	"9015"	""	""	"CHEMBL544"	""	""	""	""	"4-methoxyphenol"	"mequinol"	"4-hydroxyanisole|BMS-181158|Leucobasal&reg;|Leucodine B|p-hydroxyanisole"	"COc1ccc(cc1)O"	"NWVVVBRKAWDGAB-UHFFFAOYSA-N"	"InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3"	""	""	""
"7440"	"mercaptamine"	""	"Synthetic organic"	"yes"	""	""	""	"178104012"	"6058"	""	""	"CHEMBL602"	""	""	""	""	"2-Aminoethanethiol"	"mercaptamine"	"CI-9148|Cystagon&reg;|Cystaran&reg;|cysteamine hydrochloride|L-1573"	"NCCS"	"UFULAYFCSOUIOV-UHFFFAOYSA-N"	"InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2"	""	""	""
"8570"	"mercaptoacrylate inhibitor of calpain 1"	""	"Synthetic organic"	""	""	""	""	"252166771"	"90668184"	""	""	"CHEMBL3221938"	""	""	""	""	"(Z)-3-(5-bromo-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid"	""	""	"OC(=O)/C(=C/c1c[nH]c2c1cc(Br)cc2)/S"	"RLEKFRNXGFHPHZ-KMKOMSMNSA-N"	"InChI=1S/C11H8BrNO2S/c12-7-1-2-9-8(4-7)6(5-13-9)3-10(16)11(14)15/h1-5,13,16H,(H,14,15)/b10-3-"	""	""	""
"7226"	"mercaptopurine"	""	"Synthetic organic"	"yes"	""	""	""	"178103800"	"667490"	""	""	"CHEMBL1425"	""	""	""	""	"9H-purine-6-thiol"	"mercaptopurine"	"6-mercaptopurine|Purinethol&reg;|Xaluprine&reg;"	"Sc1ncnc2c1nc[nH]2"	"GLVAUDGFNGKCSF-UHFFFAOYSA-N"	"InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)"	""	""	""
"9841"	"merestinib"	""	"Synthetic organic"	""	""	""	""	"363894135"	"44603533"	""	""	"CHEMBL3545307"	""	""	""	""	"N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide"	"merestinib"	"LY-2801653|LY2801653"	"Fc1ccc(cc1)n1c(C)ccc(c1=O)C(=O)Nc1ccc(c(c1)F)Oc1cc2cnn(c2cc1c1c[nH]nc1)C"	"QHADVLVFMKEIIP-UHFFFAOYSA-N"	"InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)"	"yes"	""	""
"14357"	"meribatinib"	""	"Synthetic organic"	""	""	""	""	"523352149"	"142402511"	""	""	""	""	""	""	""	"N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-5-pyrazin-2-ylpyridine-3-carboxamide"	"meribatinib"	"Compound A [WO2021213380]"	"C1CN(C[C@@H]1F)C2=C(C=C(C=N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C4=NC=CN=C4"	"YPFVDXZDEJXGKH-CQSZACIVSA-N"	"InChI=1S/C21H17ClF3N5O2/c22-21(24,25)32-16-3-1-15(2-4-16)29-20(31)13-9-17(18-11-26-6-7-27-18)19(28-10-13)30-8-5-14(23)12-30/h1-4,6-7,9-11,14H,5,8,12H2,(H,29,31)/t14-/m1/s1"	""	""	""
"12394"	"merigolix"	""	"Synthetic organic"	""	""	""	""	"479821185"	"71727383"	""	""	""	""	""	""	""	"4-[[(1R)-2-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[7H-furo[3,4-d]pyrimidine-5,4'-piperidine]-3-yl]-1-phenylethyl]amino]butanoic acid"	"merigolix"	"example 2-13 [US9481684B2]|Formula 1 [US20220002312A1]|NCE403|SKI2670|TU-2670|TU2670"	"C1CN(CCC21c1c(CO2)n(c(=O)n(c1=O)C[C@@H](c1ccccc1)NCCCC(=O)O)Cc1c(cccc1F)C(F)(F)F)Cc1ccc(o1)C(F)(F)F"	"LJPSGSMPGVITHK-MHZLTWQESA-N"	"InChI=1S/C36H35F7N4O6/c37-26-9-4-8-25(35(38,39)40)24(26)19-46-28-21-52-34(13-16-45(17-14-34)18-23-11-12-29(53-23)36(41,42)43)31(28)32(50)47(33(46)51)20-27(22-6-2-1-3-7-22)44-15-5-10-30(48)49/h1-4,6-9,11-12,27,44H,5,10,13-21H2,(H,48,49)/t27-/m0/s1"	""	""	""
"10741"	"merimepodib"	""	"Synthetic organic"	""	""	""	""	"405067333"	"153241"	""	""	"CHEMBL304087"	""	""	""	""	""	"merimepodib"	"MMPD|VX-497|VX497"	"COc1cc(ccc1c1cnco1)NC(=O)Nc1cccc(c1)CNC(=O)O[C@@H]1COCC1"	"JBPUGFODGPKTDW-SFHVURJKSA-N"	"InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1"	""	""	""
"10829"	"meropenem"	""	"Synthetic organic"	"yes"	""	""	""	"405560270"	"441130"	""	""	"CHEMBL127"	""	""	""	""	"(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	"meropenem"	"ICI 194,660|Merrem&reg;|SM-7338"	"C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)C(=O)N(C)C)O"	"DMJNNHOOLUXYBV-PQTSNVLCSA-N"	"InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1"	""	""	"yes"
"11014"	"mersacidin"	""	"Natural product"	""	""	""	""	"405560455"	"70698380"	""	""	""	""	""	""	""	"3-[(4S,7S,8S,11R,14S,17E,20S,26S)-7-[[(3S,6S,7S,10R,13S,28S)-6-[[(2S)-2-[[(2S,3S,6R)-6-amino-2-methyl-5-oxo-1,4-thiazepane-3-carbonyl]amino]-3-phenylpropanoyl]amino]-7-methyl-3-(2-methylpropyl)-2,5,12,15,18,21,24,27-octaoxo-13-propan-2-yl-8-thia-1,4,11,14,17,20,23,26-octazabicyclo[26.3.0]hentriacontane-10-carbonyl]amino]-14-[(2R)-butan-2-yl]-8,20-dimethyl-23-methylidene-4-(2-methylpropyl)-3,6,12,15,21,24,27-heptaoxo-9,19-dithia-2,5,13,16,22,25,28-heptazabicyclo[9.9.8]octacos-17-en-26-yl]propanoic acid"	""	"M87 1551|M87-1551"	"CC[C@H]([C@@H]1NC(=O)[C@@H]2CS[C@@H](C)[C@@H](NC(=O)[C@@H]3CS[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4NC(=O)[C@H](CS[C@H]4C)N)Cc4ccccc4)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N3)C(C)C)C(=O)N[C@H](C(=O)NC([C@@H](S/C=C/NC1=O)C)C(=O)NC(=C)C(=O)N[C@H](C(=O)N2)CCC(=O)O)CC(C)C)C"	"JSWKNDSDVHJUKY-CYGWNLPQSA-N"	"InChI=1S/C80H120N20O21S4/c1-14-40(8)61-74(115)82-24-26-122-42(10)62-76(117)87-41(9)66(107)88-48(22-23-59(105)106)68(109)92-52(71(112)95-61)35-124-44(12)64(78(119)89-49(27-37(2)3)69(110)97-62)99-72(113)53-36-125-45(13)65(98-70(111)50(29-46-19-16-15-17-20-46)90-77(118)63-43(11)123-34-47(81)67(108)96-63)79(120)91-51(28-38(4)5)80(121)100-25-18-21-54(100)73(114)86-32-57(103)84-30-55(101)83-31-56(102)85-33-58(104)94-60(39(6)7)75(116)93-53/h15-17,19-20,24,26,37-40,42-45,47-54,60-65H,9,14,18,21-23,25,27-36,81H2,1-8,10-13H3,(H,82,115)(H,83,101)(H,84,103)(H,85,102)(H,86,114)(H,87,117)(H,88,107)(H,89,119)(H,90,118)(H,91,120)(H,92,109)(H,93,116)(H,94,104)(H,95,112)(H,96,108)(H,97,110)(H,98,111)(H,99,113)(H,105,106)/b26-24+/t40-,42+,43+,44+,45+,47+,48+,49+,50+,51+,52+,53+,54+,60+,61+,62?,63-,64-,65-/m1/s1"	""	""	"yes"
"5331"	"mersalyl"	""	"Synthetic organic"	""	""	""	""	"178101997"	"443130"	""	""	"CHEMBL1201330"	""	""	""	""	""	""	""	"O[Hg]CC(CNC(=O)c1ccccc1OCC(=O)O)OC"	"HQRSUIDICNOLPX-UHFFFAOYSA-M"	"InChI=1S/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16;;/h3-6,9H,1,7-8H2,2H3,(H,14,17)(H,15,16);;1H2/q;+1;/p-1"	""	""	""
"13918"	"MerTK inhibitor 11"	""	"Synthetic organic"	""	""	""	""	"513757603"	"174313821"	""	""	""	""	""	""	""	"N-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-(4-fluorophenyl)-1-methyl-3-oxopyrazole-4-carboxamide"	""	""	"C12=C(N=CN=C1OC3=CC=C(C=C3)NC(=O)C=4C(=O)N(N(C4)C)C5=CC=C(C=C5)F)OC(=C2C6=CC=CC(=C6)CN(C)C)C=7C=NN(C7)C"	"WOAZQVRBSBTOAN-UHFFFAOYSA-N"	"InChI=1S/C36H31FN8O4/c1-42(2)18-22-6-5-7-23(16-22)30-31-34(38-21-39-35(31)49-32(30)24-17-40-43(3)19-24)48-28-14-10-26(11-15-28)41-33(46)29-20-44(4)45(36(29)47)27-12-8-25(37)9-13-27/h5-17,19-21H,18H2,1-4H3,(H,41,46)"	"yes"	""	""
"13945"	"MES304"	""	"Synthetic organic"	""	""	""	""	"513757630"	"101882820"	""	""	"CHEMBL3361433"	""	""	""	""	"N-[[1-benzyl-4-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-2-(diaminomethylideneamino)acetamide"	""	""	"NC(=N)NCC(=O)NCC1(CC2=C3C=CC=CC3=CC=C2)CCN(CC4=CC=CC=C4)CC1"	"RGNAMSRVPXMXMY-UHFFFAOYSA-N"	"InChI=1S/C27H33N5O/c28-26(29)30-18-25(33)31-20-27(17-23-11-6-10-22-9-4-5-12-24(22)23)13-15-32(16-14-27)19-21-7-2-1-3-8-21/h1-12H,13-20H2,(H,31,33)(H4,28,29,30)"	""	""	""
"2700"	"mesalazine"	""	"Synthetic organic"	"yes"	""	""	""	"135649824"	"4075"	""	""	"CHEMBL704"	""	""	""	""	"5-Amino-2-hydroxybenzoic acid"	"mesalazine"	"5-aminosalicylic acid|5-ASA|mesalamine (USAN)|Pentasa&reg;"	"Nc1ccc(c(c1)C(=O)O)O"	"KBOPZPXVLCULAV-UHFFFAOYSA-N"	"InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)"	"yes"	""	""
"13139"	"mescaline"	""	"Natural product"	""	""	""	""	"491299921"	"4076"	""	""	"CHEMBL26687"	""	""	""	""	"2-(3,4,5-trimethoxyphenyl)ethanamine"	""	"3,4,5-Trimethoxyphenethylamine|mescalin|mezcalin|Tmpea"	"COC1=CC(=CC(=C1OC)OC)CCN"	"RHCSKNNOAZULRK-UHFFFAOYSA-N"	"InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3"	""	""	""
"10811"	"mesdopetam"	""	"Synthetic organic"	""	""	""	""	"405560252"	"70980485"	""	""	""	""	""	""	""	"N-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]propan-1-amine"	"mesdopetam"	"IRL790"	"CCCNCCOc1cc(F)cc(c1)S(=O)(=O)C"	"OSBPYFBXSLJHCR-UHFFFAOYSA-N"	"InChI=1S/C12H18FNO3S/c1-3-4-14-5-6-17-11-7-10(13)8-12(9-11)18(2,15)16/h7-9,14H,3-6H2,1-2H3"	""	""	""
"5021"	"meso-DAP"	""	"Natural product"	""	""	""	""	"178101718"	"99290"	""	""	"CHEMBL415306"	""	""	""	""	"(2R,6S)-2,6-diaminoheptanedioic acid"	""	"meso-diaminopimeilic acid"	"N[C@H](C(=O)O)CCC[C@H](C(=O)O)N"	"GMKMEZVLHJARHF-SYDPRGILSA-N"	"InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+"	""	""	""
"7227"	"mesoridazine"	""	"Synthetic organic"	"yes"	""	""	""	"178103801"	"4078"	""	""	"CHEMBL1088"	""	""	""	""	"10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine"	"mesoridazine"	"NC-123|Serentil&reg;|TPS-23"	"CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C"	"SLVMESMUVMCQIY-UHFFFAOYSA-N"	"InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3"	""	""	""
"7087"	"mestranol"	""	"Metabolite"	"yes"	""	""	""	"178103665"	"6291"	""	""	"CHEMBL1201151"	""	""	""	""	"(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol"	"mestranol"	"EE3-ME"	"C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)OC"	"IMSSROKUHAOUJS-MJCUULBUSA-N"	"InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1"	""	""	""
"206"	"mesulergine"	""	"Synthetic organic"	""	""	""	""	"135650580"	"68848"	""	""	"CHEMBL12314"	""	""	""	""	"(6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline"	"mesulergine"	"CQ 32085"	"CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C"	"JLVHTNZNKOSCNB-YSVLISHTSA-N"	"InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1"	""	""	""
"7228"	"mesuximide"	""	"Synthetic organic"	"yes"	""	""	""	"178103802"	"6476"	""	""	"CHEMBL697"	""	""	""	""	"1,3-dimethyl-3-phenylpyrrolidine-2,5-dione"	"mesuximide"	"Celontin&reg;|Petinutin&reg;"	"CN1C(=O)CC(C1=O)(C)c1ccccc1"	"AJXPJJZHWIXJCJ-UHFFFAOYSA-N"	"InChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3"	""	""	""
"13618"	"metacycline"	""	"Synthetic organic"	"yes"	""	""	""	"504705437"	"54675785"	""	""	"CHEMBL249837"	""	""	""	""	"(4S,4aR,5S,5aR,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylidene-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide"	"metacycline"	"GS-2876|methacycline|methylenecycline|Physiomycine&reg;|Rondomycin&reg;"	"O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(N)=O)C1=O)([C@@H](O)[C@]3(C(=C2O)C(=O)C=4C(C3=C)=CC=CC4O)[H])[H]"	"MHIGBKBJSQVXNH-IWVLMIASSA-N"	"InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31)/t10-,14-,15+,17+,22+/m1/s1"	""	""	"yes"
"10608"	"metamizole"	""	"Synthetic organic"	""	""	""	""	"404859055"	"3111"	""	""	""	""	""	""	""	"[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonic acid"	"metamizole sodium"	"dipyrone"	"CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O"	"LVWZTYCIRDMTEY-UHFFFAOYSA-N"	"InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20)"	""	""	""
"12274"	"metampicillin"	""	"Synthetic organic"	""	""	""	""	"473153862"	"6713928"	""	""	"CHEMBL1908324"	""	""	""	""	"(2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-(methylideneamino)-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"metampicillin"	"methampicillin|methylenampicillin|Micinovo&reg;|Viderpen&reg;"	"CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)N=C)C(=O)O)C"	"FZECHKJQHUVANE-MCYUEQNJSA-N"	"InChI=1S/C17H19N3O4S/c1-17(2)12(16(23)24)20-14(22)11(15(20)25-17)19-13(21)10(18-3)9-7-5-4-6-8-9/h4-8,10-12,15H,3H2,1-2H3,(H,19,21)(H,23,24)/t10-,11-,12+,15-/m1/s1"	""	""	"yes"
"6644"	"metanephrine"	""	"Metabolite"	""	""	""	""	"178103257"	"21100"	""	""	"CHEMBL775"	""	""	""	""	"4-(1-hydroxy-2-methylaminoethyl)-2-methoxyphenol"	""	"metadrenaline"	"CNCC(c1ccc(c(c1)OC)O)O"	"JWJCTZKFYGDABJ-UHFFFAOYSA-N"	"InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3"	""	""	""
"7229"	"metaraminol"	""	"Synthetic organic"	"yes"	""	""	""	"178103803"	"5906"	""	""	"CHEMBL1201319"	""	""	""	""	"3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol"	"metaraminol"	"Aramine&reg;|metaradrine|metaraminol bitartrate"	"C[C@@H]([C@@H](c1cccc(c1)O)O)N"	"WXFIGDLSSYIKKV-RCOVLWMOSA-N"	"InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1"	""	""	""
"12614"	"metatinib"	""	"Synthetic organic"	""	""	""	""	"479821404"	"44155856"	""	""	"CHEMBL2143592"	""	""	""	""	""	""	"BMS-794833|BMS794833"	"C1=CC(=CC=C1C2=CNC=C(C2=O)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F)F"	"PDYXPCKITKHFOZ-UHFFFAOYSA-N"	"InChI=1S/C23H15ClF2N4O3/c24-20-19(7-8-29-22(20)27)33-18-6-5-14(9-17(18)26)30-23(32)16-11-28-10-15(21(16)31)12-1-3-13(25)4-2-12/h1-11H,(H2,27,29)(H,28,31)(H,30,32)"	""	""	""
"7609"	"metaxalone"	""	"Synthetic organic"	"yes"	""	""	""	"223365944"	"15459"	""	""	"CHEMBL1079604"	""	""	""	""	"5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one"	"metaxalone"	"AHR-438|Skelaxin&reg;"	"O=C1NCC(O1)COc1cc(C)cc(c1)C"	"IMWZZHHPURKASS-UHFFFAOYSA-N"	"InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)"	""	""	""
"788"	"Met-Ck&beta;7"	""	"Peptide"	""	""	""	""	"135652285"	"0"	""	""	""	""	""	""	""	""	""	"Ck&beta;7|Met-chemokine &beta; 7"	""	""	""	""	""	""
"1614"	"[Met]enkephalin"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651808"	"443363"	"P04094|P22005|P01210"	"ENSRNOG00000008943|ENSMUSG00000045573|ENSG00000181195"	"CHEMBL13786"	""	""	""	""	"(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid"	"metenkefalin"	"1-5 Adrenorphin|[Met]-enkephalin|IRT-101|methionine enkephalin|np2 enkephalin|opioid growth factor (OGF)"	"CSCC[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N"	"YFGBQHOOROIVKG-FKBYEOEOSA-N"	"InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1"	"yes"	""	""
"133"	"metergoline"	""	"Synthetic organic"	""	""	""	""	"135650581"	"28693"	""	""	"CHEMBL19215"	""	""	""	""	"benzyl N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl]carbamate"	"metergoline"	"FI-6337|liserdol|metergoline phenylmethyl ester"	"O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C"	"WZHJKEUHNJHDLS-QTGUNEKASA-N"	"InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1"	""	""	""
"4779"	"metformin"	""	"Synthetic organic"	"yes"	""	""	""	"178101481"	"4091"	""	""	"CHEMBL1431"	""	""	""	""	"1-[(diaminomethylidene)amino]-N,N-dimethylmethanimidamide"	"metformin"	"Glucophage&reg;|LA-6023"	"CN(C(=N)N=C(N)N)C"	"XZWYZXLIPXDOLR-UHFFFAOYSA-N"	"InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)"	"yes"	""	""
"7438"	"methacholine"	""	"Synthetic organic"	"yes"	""	""	""	"178104010"	"1993"	""	""	"CHEMBL978"	""	""	""	""	"2-acetyloxypropyl-trimethylazanium"	"methacholine chloride"	"methacholine bromide|Provocholine&reg;"	"CC(C[N+](C)(C)C)OC(=O)C"	"NZWOPGCLSHLLPA-UHFFFAOYSA-N"	"InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1"	"yes"	""	""
"1605"	"(-)-methadone"	""	"Synthetic organic"	""	""	""	""	"135650582"	"22267"	""	""	"CHEMBL159659"	""	""	""	""	"(6R)-6-dimethylamino-4,4-di(phenyl)heptan-3-one"	"levomethadone|methadone"	"(R)-methadone|l-methadone|levomethadone"	"CCC(=O)C(c1ccccc1)(c1ccccc1)C[C@H](N(C)C)C"	"USSIQXCVUWKGNF-QGZVFWFLSA-N"	"InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m1/s1"	""	""	""
"5458"	"methadone"	""	"Synthetic organic"	"yes"	""	""	""	"178102108"	"4095"	""	""	"CHEMBL651"	""	""	""	""	"6-(dimethylamino)-4,4-diphenylheptan-3-one"	"methadone"	"(&plusmn;)-methadone|dl-methadone|Dolophine HCL&reg;|methadone HCl|Methadose&reg;"	"CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N(C)C)C"	"USSIQXCVUWKGNF-UHFFFAOYSA-N"	"InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3"	""	""	""
"4803"	"methamphetamine"	""	"Synthetic organic"	"yes"	""	""	""	"178101505"	"1206"	""	""	""	""	""	""	""	"N-methyl-1-phenylpropan-2-amine"	"metamfetamine"	"deoxyephedrine|Desoxyn&reg;|DL-methamphetamine|methamphetamine hydrochloride"	"CNC(Cc1ccccc1)C"	"MYWUZJCMWCOHBA-UHFFFAOYSA-N"	"InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3"	""	""	""
"7230"	"metharbital"	""	"Synthetic organic"	"yes"	""	""	""	"178103804"	"4099"	""	""	"CHEMBL450"	""	""	""	""	"5,5-diethyl-6-hydroxy-3-methyl-2,3,4,5-tetrahydropyrimidine-2,4-dione"	"metharbital"	"Gemonil&reg;"	"CCC1(CC)C(=NC(=O)N(C1=O)C)O"	"FWJKNZONDWOGMI-UHFFFAOYSA-N"	"InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)"	""	""	""
"6828"	"methazolamide"	""	"Synthetic organic"	"yes"	""	""	""	"178103434"	"4100"	""	""	"CHEMBL1335656"	""	""	""	""	"N-(3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)acetamide"	"methazolamide"	"methenamide|Neptazane&reg;"	"CC(=O)N=c1sc(nn1C)S(=O)(=O)N"	"FLOSMHQXBMRNHR-UHFFFAOYSA-N"	"InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)"	""	""	""
"7231"	"methdilazine"	""	"Synthetic organic"	"yes"	""	""	""	"178103805"	"14677"	""	""	"CHEMBL1200959"	""	""	""	""	"10-[(1-methylpyrrolidin-3-yl)methyl]-10H-phenothiazine"	"methdilazine"	"methdilazine hydrochloride|Tacaryl&reg;"	"CN1CCC(C1)CN1c2ccccc2Sc2c1cccc2"	"HTMIBDQKFHUPSX-UHFFFAOYSA-N"	"InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3"	""	""	""
"10913"	"methenamine"	""	"Synthetic organic"	"yes"	""	""	""	"405560354"	"4101"	""	""	"CHEMBL1201270"	""	""	""	""	""	"methenamine"	"Hiprex&reg;|Mandelamine&reg;|Urex&reg;"	"C1N2CN3CN1CN(C2)C3"	"VKYKSIONXSXAKP-UHFFFAOYSA-N"	"InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2"	""	""	"yes"
"12264"	"methicillin"	""	"Synthetic organic"	"yes"	""	""	""	"473153852"	"6087"	""	""	"CHEMBL575"	""	""	""	""	"(2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"meticillin"	"meticillin"	"CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)c1c(cccc1OC)OC)C(=O)O)C"	"RJQXTJLFIWVMTO-TYNCELHUSA-N"	"InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1"	""	""	"yes"
"6649"	"methimazole"	""	"Synthetic organic"	"yes"	""	""	""	"178103262"	"1349907"	""	""	"CHEMBL1515"	""	""	""	""	"1-methyl-3H-imidazole-2-thione"	""	"Tapazole&reg;|Thiamazole&reg;"	"Cn1ccnc1S"	"PMRYVIKBURPHAH-UHFFFAOYSA-N"	"InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)"	"yes"	""	""
"1254"	"methimepip"	""	"Synthetic organic"	""	""	""	""	"135650583"	"11313837"	""	""	"CHEMBL175782"	""	""	""	""	"4-(3H-imidazol-4-ylmethyl)-1-methylpiperidine"	""	""	"CN1CCC(CC1)Cc1[nH]cnc1"	"KIAVPENCSGKVQP-UHFFFAOYSA-N"	"InChI=1S/C10H17N3/c1-13-4-2-9(3-5-13)6-10-7-11-8-12-10/h7-9H,2-6H2,1H3,(H,11,12)"	""	""	""
"5829"	"methionine benzimidazole 6"	""	"Synthetic organic"	""	""	""	""	"178102454"	"4329947"	""	""	"CHEMBL1770297"	""	""	""	""	"N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide"	""	""	"CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC"	"AIMYRLXVAOYQLA-UHFFFAOYSA-N"	"InChI=1S/C23H25N3O3S/c1-4-28-15-9-10-20-16(13-15)14(2)21(29-20)23(27)26-19(11-12-30-3)22-24-17-7-5-6-8-18(17)25-22/h5-10,13,19H,4,11-12H2,1-3H3,(H,24,25)(H,26,27)"	""	""	""
"89"	"methiothepin"	""	"Synthetic organic"	""	""	""	""	"135650584"	"4106"	""	""	"CHEMBL93240"	""	""	""	""	"1-methyl-4-(8-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine"	"metitepine"	"methiothepine"	"CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C"	"RLJFTICUTYVZDG-UHFFFAOYSA-N"	"InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3"	""	""	""
"7232"	"methixene"	""	"Synthetic organic"	"yes"	""	""	""	"178103806"	"4167"	""	""	"CHEMBL1201342"	""	""	""	""	"1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine"	"pimethixene"	"metixene|SJ-1977|Trest&reg;"	"CN1CCCC(C1)CC1c2ccccc2Sc2c1cccc2"	"MJFJKKXQDNNUJF-UHFFFAOYSA-N"	"InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3"	""	""	""
"11318"	"methnaridine"	""	"Synthetic organic"	""	""	""	""	"434321753"	"154733036"	""	""	""	""	""	""	""	"4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol"	""	""	"COc1ccc2c(n1)c(Nc1cc(CN(C)C)c(c(c1)CN(C)C)O)c1c(n2)cc(cc1)Cl"	"CYNAGHGKNNKEIO-UHFFFAOYSA-N"	"InChI=1S/C25H28ClN5O2/c1-30(2)13-15-10-18(11-16(25(15)32)14-31(3)4)27-23-19-7-6-17(26)12-21(19)28-20-8-9-22(33-5)29-24(20)23/h6-12,32H,13-14H2,1-5H3,(H,27,28)"	""	"yes"	""
"6829"	"methocarbamol"	""	"Synthetic organic"	"yes"	""	""	""	"178103435"	"4107"	""	""	"CHEMBL1201117"	""	""	""	""	"2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate"	"methocarbamol"	"Robaxin&reg;"	"COc1ccccc1OCC(COC(=O)N)O"	"GNXFOGHNGIVQEH-UHFFFAOYSA-N"	"InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)"	""	""	""
"327"	"methoctramine"	""	"Synthetic organic"	""	""	""	""	"135650585"	"4108"	""	""	"CHEMBL27673"	""	""	""	""	"N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]octane-1,8-diamine"	""	""	"COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC"	"RPMBYDYUVKEZJA-UHFFFAOYSA-N"	"InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3"	""	""	""
"7233"	"methohexital"	""	"Synthetic organic"	"yes"	""	""	""	"178103807"	"9034"	""	""	"CHEMBL7413"	""	""	""	""	"5-(hex-3-yn-2-yl)-6-hydroxy-3-methyl-5-(prop-2-en-1-yl)-2,3,4,5-tetrahydropyrimidine-2,4-dione"	"methohexital"	"methohexitone"	"C=CCC1(C(C#CCC)C)C(=NC(=O)N(C1=O)C)O"	"NZXKDOXHBHYTKP-UHFFFAOYSA-N"	"InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)"	""	""	""
"2812"	"methoprene acid"	""	"Synthetic organic"	""	""	""	""	"135650586"	"5353760"	""	""	"CHEMBL289635"	""	""	""	""	"(2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid"	""	""	"COC(CCCC(C/C=C/C(=C/C(=O)O)/C)C)(C)C"	"MNYBEULOKRVZKY-TZOAMJEDSA-N"	"InChI=1S/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)/b9-6+,14-12+"	""	""	""
"4815"	"methotrexate"	""	"Synthetic organic"	"yes"	""	""	""	"178101517"	"126941"	""	""	"CHEMBL34259"	""	""	""	""	"(2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid"	"methotrexate"	"Abitrexate&reg;|amethopterin|Nordimet&reg;|Rasuvo&reg;"	"OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C"	"FBOZXECLQNJBKD-ZDUSSCGKSA-N"	"InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1"	"yes"	""	""
"483"	"methoxamine"	""	"Synthetic organic"	"yes"	""	""	""	"135650587"	"6082"	""	""	"CHEMBL524"	""	""	""	""	"2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol"	"methoxamine"	"2,5-dimethoxynorephedrine"	"COc1ccc(c(c1)C(C(N)C)O)OC"	"WJAJPNHVVFWKKL-UHFFFAOYSA-N"	"InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3"	""	""	""
"12457"	"methoxsalen"	""	"Natural product"	"yes"	""	""	""	"479821247"	"4114"	""	""	"CHEMBL416"	""	""	""	""	""	""	"8-Methoxypsoralen|8-MOP|xanthotoxin|zanthotoxin"	"COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2"	"QXKHYNVANLEOEG-UHFFFAOYSA-N"	"InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3"	""	""	""
"7234"	"methoxyflurane"	""	"Synthetic organic"	"yes"	""	""	""	"178103808"	"4116"	""	""	"CHEMBL1341"	""	""	""	""	"2,2-dichloro-1,1-difluoro-1-methoxyethane"	"methoxyflurane"	"Penthrane&reg;"	"COC(C(Cl)Cl)(F)F"	"RFKMCNOHBTXSMU-UHFFFAOYSA-N"	"InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3"	""	""	""
"3345"	"methoxymethyl-MTEP"	""	"Synthetic organic"	""	""	""	""	"178100375"	"10354477"	""	""	"CHEMBL420533"	""	""	""	""	"3-(methoxymethyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine"	""	""	"COCc1cncc(c1)C#Cc1csc(n1)C"	"AWDRAHDWMICWJM-UHFFFAOYSA-N"	"InChI=1S/C13H12N2OS/c1-10-15-13(9-17-10)4-3-11-5-12(8-16-2)7-14-6-11/h5-7,9H,8H2,1-2H3"	""	""	""
"3344"	"methoxy-MPEP"	""	"Synthetic organic"	""	""	""	""	"178100374"	"5311462"	""	""	"CHEMBL332397"	""	""	""	""	"2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridine"	""	"M-MPEP"	"COc1cccc(c1)C#Cc1cccc(n1)C"	"STDHINPODVHROK-UHFFFAOYSA-N"	"InChI=1S/C15H13NO/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2/h3-8,11H,1-2H3"	""	""	""
"7235"	"methyclothiazide"	""	"Synthetic organic"	"yes"	""	""	""	"178103809"	"4121"	""	""	"CHEMBL1577"	""	""	""	""	"6-chloro-3-(chloromethyl)-2-methyl-1,1-dioxo-3,4-dihydro-1$l^{6},2,4-benzothiadiazine-7-sulfonamide"	"methyclothiazide"	"Aquatensen&reg;|Enduron&reg;"	"ClCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1C)S(=O)(=O)N"	"CESYKOGBSMNBPD-UHFFFAOYSA-N"	"InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)"	""	""	""
"6553"	"methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate"	""	"Synthetic organic"	""	""	""	""	"178103167"	"2314952"	""	""	"CHEMBL1595992"	""	""	""	""	"methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate"	""	""	"COC(=O)c1[nH]nc(n1)NC(=O)c1ccc(cc1)C(C)(C)C"	"LVKKWCOINMSBPK-UHFFFAOYSA-N"	"InChI=1S/C15H18N4O3/c1-15(2,3)10-7-5-9(6-8-10)12(20)17-14-16-11(18-19-14)13(21)22-4/h5-8H,1-4H3,(H2,16,17,18,19,20)"	""	""	""
"5222"	"methyl arachidonate"	""	"Metabolite"	""	""	""	""	"178101907"	"6421258"	""	""	""	""	""	""	""	"methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate"	""	""	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC"	"OFIDNKMQBYGNIW-ZKWNWVNESA-N"	"InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16-"	""	""	""
"5218"	"methyl arachidonyl fluorophosphonate"	""	"Synthetic organic"	""	""	""	""	"178101903"	"25021170"	""	""	""	""	""	""	""	"(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl methyl fluorophosphonate"	""	"MAFP|methylarachidonoylflurophosphonate"	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOP(=O)(OC)F"	"HNVKMEOEBANRAT-ZKWNWVNESA-N"	"InChI=1S/C21H36FO3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-26(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-"	""	""	""
"3427"	"methylcarbamyl PAF"	""	"Synthetic organic"	""	""	""	""	"135651517"	"124663"	""	""	"CHEMBL1599651"	""	""	""	""	"[(2R)-3-hexadecoxy-2-(methylcarbamoyloxy)propyl] 2-trimethylazaniumylethyl phosphate"	""	"mc-PAF|methyl-carbamyl platelet-activating factor"	"CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)NC)COP(=O)(OCC[N+](C)(C)C)[O-]"	"FNFHZBKBDFRYHS-RUZDIDTESA-N"	"InChI=1S/C26H55N2O7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-32-23-25(35-26(29)27-2)24-34-36(30,31)33-22-20-28(3,4)5/h25H,6-24H2,1-5H3,(H-,27,29,30,31)/t25-/m1/s1"	""	""	""
"150"	"methylergonovine"	""	"Synthetic organic"	"yes"	""	""	""	"135650591"	"8226"	""	""	"CHEMBL1201356"	""	""	""	""	"(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide"	"methylergometrine"	"Methergine&reg;|methylergobasin"	"CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO"	"UNBRKDKAWYKMIV-QWQRMKEZSA-N"	"InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1"	""	""	""
"300"	"methylfurmethide"	""	"Synthetic organic"	""	""	""	""	"135650592"	"4141"	""	""	"CHEMBL92387"	""	""	""	""	"trimethyl-[(5-methylfuran-2-yl)methyl]azanium"	""	"5 MFT|5-methylfurmithide"	"Cc1ccc(o1)C[N+](C)(C)C"	"KOWVJDFMEZKDDT-UHFFFAOYSA-N"	"InChI=1S/C9H16NO/c1-8-5-6-9(11-8)7-10(2,3)4/h5-6H,7H2,1-4H3/q+1"	""	""	""
"6303"	"methylglyoxal"	""	"Metabolite"	""	""	""	""	"178102922"	"880"	""	""	"CHEMBL170721"	""	""	""	""	"2-Oxopropanal"	""	"acetylformaldehyde|pyruvaldehyde"	"O=CC(=O)C"	"AIJULSRZWUXGPQ-UHFFFAOYSA-N"	"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3"	""	""	""
"1205"	"methylhistaprodifen"	""	"Synthetic organic"	""	""	""	""	"135650593"	"10403687"	""	""	"CHEMBL275035"	""	""	""	""	"2-[2-[3,3-di(phenyl)propyl]-3H-imidazol-4-yl]-N-methylethanamine"	""	"<i>N-</i>methylhistaprodifen"	"CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1"	"YMVWDVNGNLXSKR-UHFFFAOYSA-N"	"InChI=1S/C21H25N3/c1-22-15-14-19-16-23-21(24-19)13-12-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,20,22H,12-15H2,1H3,(H,23,24)"	""	""	""
"6290"	"methyl isocyanate"	""	"Synthetic organic"	""	""	""	""	"178102910"	"12228"	""	""	"CHEMBL1608558"	""	""	""	""	"methylimino-oxomethane"	""	"isocyanatomethane|isocyanic acid|methyl carbonimide|MIC"	"CN=C=O"	"HAMGRBXTJNITHG-UHFFFAOYSA-N"	"InChI=1S/C2H3NO/c1-3-2-4/h1H3"	""	""	""
"4005"	"methyllycaconitine"	""	"Natural product"	""	""	""	""	"178100831"	"5288811"	""	""	""	""	""	""	""	"[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate"	""	""	"CCN1C[C@@]2(CC[C@@H]([C@]34[C@H]1[C@](O)([C@H]([C@H]23)OC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)O)OC)COC(=O)c1ccccc1N1C(=O)C[C@@H](C1=O)C"	"XLTANAWLDBYGFU-VTLKBQQISA-N"	"InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37+/m0/s1"	""	""	""
"9633"	"methylmalonic acid"	""	"Synthetic organic"	""	""	""	""	"340590263"	"487"	""	""	""	""	""	""	""	"2-methylpropanedioic acid"	""	""	"CC(C(=O)O)C(=O)O"	"ZIYVHBGGAOATLY-UHFFFAOYSA-N"	"InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)"	""	""	""
"5223"	"methylmalonyl-CoA"	""	"Metabolite"	""	""	""	""	"178101908"	"123909"	""	""	""	""	""	""	""	"3-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-2-methyl-3-oxopropanoic acid"	""	""	"O=C(NCCSC(=O)C(C(=O)O)C)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O"	"MZFOKIKEPGUZEN-FBMOWMAESA-N"	"InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12?,13-,16-,17-,18+,22-/m1/s1"	""	""	""
"7563"	"methylnaltrexone"	""	"Synthetic organic"	"yes"	""	""	""	"223365899"	"5361918"	""	""	"CHEMBL1186579"	""	""	""	""	"(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-7-one"	"methylnaltrexone bromide"	"MNTX|MRZ-2663BR|Relistor&reg;"	"O=C1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2[N+](CC3)(C)CC2CC2)ccc1O)O"	"JVLBPIPGETUEET-GAAHOAFPSA-O"	"InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22?/m1/s1"	""	""	""
"7236"	"methylphenidate"	""	"Synthetic organic"	"yes"	""	""	""	"178103810"	"4158"	""	""	"CHEMBL796"	""	""	""	""	"methyl 2-phenyl-2-(piperidin-2-yl)acetate"	"methylphenidate"	"Concerta&reg;|Jornay PM&reg; (a.k.a. HLD200)|Ritalin&reg;|Tuzulby&reg;"	"COC(=O)C(c1ccccc1)C1CCCCN1"	"DUGOZIWVEXMGBE-UHFFFAOYSA-N"	"InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3"	""	""	""
"6273"	"methyl p-hydroxybenzoate"	""	"Synthetic organic"	""	""	""	""	"178102893"	"7456"	""	""	"CHEMBL325372"	""	""	""	""	"Methyl 4-hydroxybenzoate"	""	"methylparaben|nipagin"	"COC(=O)c1ccc(cc1)O"	"LXCFILQKKLGQFO-UHFFFAOYSA-N"	"InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3"	""	""	""
"3459"	"methyl-piperidino-pyrazole"	""	"Synthetic organic"	""	""	""	""	"178100456"	"135484659"	""	""	"CHEMBL520107"	""	""	""	""	"4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrazol-3-ylidene]cyclohexa-2,5-dien-1-one"	""	"MPP"	"O=C1C=CC(=c2[nH]n(c(c2C)c2ccc(cc2)OCCN2CCCCC2)c2ccc(cc2)O)C=C1"	"PFTIONINVMINHE-UHFFFAOYSA-N"	"InChI=1S/C29H31N3O3/c1-21-28(22-5-11-25(33)12-6-22)30-32(24-9-13-26(34)14-10-24)29(21)23-7-15-27(16-8-23)35-20-19-31-17-3-2-4-18-31/h5-16,30,34H,2-4,17-20H2,1H3"	""	""	""
"7088"	"methylprednisolone"	""	"Metabolite"	"yes"	""	""	""	"178103666"	"6741"	""	""	"CHEMBL650"	""	""	""	""	"(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one"	"methylprednisolone"	"Medrol&reg;|U-67590A"	"OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)C"	"VHRSUDSXCMQTMA-PJHHCJLFSA-N"	"InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1"	"yes"	""	""
"2431"	"methyl salicylate"	""	"Synthetic organic"	""	""	""	""	"135650594"	"4133"	""	""	"CHEMBL108545"	""	""	""	""	"Methyl 2-hydroxybenzoate"	""	""	"COC(=O)c1ccccc1O"	"OSWPMRLSEDHDFF-UHFFFAOYSA-N"	"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3"	""	""	""
"6945"	"methyltestosterone"	""	"Synthetic organic"	""	""	""	""	"178103527"	"6010"	""	""	"CHEMBL1395"	""	""	""	""	"(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one"	"methyltestosterone"	"17-methyltestosterone"	"O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C"	"GCKMFJBGXUYNAG-HLXURNFRSA-N"	"InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1"	""	""	""
"2857"	"methyltrienolone"	""	"Synthetic organic"	""	""	""	""	"135650595"	"261000"	""	""	"CHEMBL166444"	""	""	""	""	"(8S,13S,14S,17S)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"	"metribolone"	"R1881"	"O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(C)O)C"	"CCCIJQPRIXGQOE-XWSJACJDSA-N"	"InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1"	""	""	""
"5094"	"methyltyrosine"	""	"Metabolite"	"yes"	""	""	""	"178101787"	"3125"	""	""	"CHEMBL1330596"	""	""	""	""	"2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid"	"racemetirosine"	"Demser&reg;|DL-alpha-methyltyrosine|metyrosine"	"Oc1ccc(cc1)CC(C(=O)O)(N)C"	"NHTGHBARYWONDQ-UHFFFAOYSA-N"	"InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)"	""	""	""
"4662"	"methylurea"	""	"Synthetic organic"	""	""	""	""	"178101377"	"11719"	""	""	""	""	""	""	""	"methylurea"	""	""	"CNC(=O)N"	"XGEGHDBEHXKFPX-UHFFFAOYSA-N"	"InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)"	""	""	""
"7238"	"methyprylon"	""	"Synthetic organic"	"yes"	""	""	""	"178103812"	"4162"	""	""	"CHEMBL1200790"	""	""	""	""	"5,5-diethyl-6-hydroxy-3-methyl-2,3,4,5-tetrahydropyridin-4-one"	"methyprylon"	"Noludar&reg;"	"CCC1(CC)C(=NCC(C1=O)C)O"	"SIDLZWOQUZRBRU-UHFFFAOYSA-N"	"InChI=1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13)"	""	""	""
"134"	"methysergide"	""	"Synthetic organic"	"yes"	"yes"	""	""	"135650596"	"9681"	""	""	"CHEMBL1065"	""	""	""	""	"(4R,7R)-N-[(2S)-1-hydroxybutan-2-yl]-6,11-dimethyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide"	"methysergide"	"1-methylmethylergonovine|Deseril&reg;|Sansert&reg;|UML-491"	"CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO"	"KPJZHOPZRAFDTN-ZRGWGRIASA-N"	"InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1"	""	""	""
"1233"	"metiamide"	""	"Synthetic organic"	""	""	""	""	"135650597"	"1548992"	""	""	"CHEMBL275446"	""	""	""	""	"3-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea"	"metiamide"	"NSC 307755|SK&F 92058"	"CNC(=S)NCCSCc1nc[nH]c1C"	"FPBPLBWLMYGIQR-UHFFFAOYSA-N"	"InChI=1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(14)10-2/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)"	""	""	""
"7239"	"metipranolol"	""	"Synthetic organic"	"yes"	""	""	""	"178103813"	"31477"	""	""	"CHEMBL1291"	""	""	""	""	"4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-2,3,6-trimethylphenyl acetate"	"metipranolol"	"BM-01004|Optipranolol&reg;|VUAB-6453|VUAB6453"	"OC(COc1cc(C)c(c(c1C)C)OC(=O)C)CNC(C)C"	"BQIPXWYNLPYNHW-UHFFFAOYSA-N"	"InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3"	""	""	""
"638"	"Met-Lys-bradykinin"	""	"Peptide"	""	""	""	""	"135652286"	"3035449"	""	""	""	""	""	""	""	"(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid"	""	"Met-kallidin"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N)NC(=O)[C@H](CCSC)N"	"SSXPFNXUSFJJEI-BHEJXMHWSA-N"	"InChI=1S/C61H94N18O13S/c1-93-32-25-39(63)50(82)72-40(19-8-9-26-62)51(83)73-41(20-10-27-68-60(64)65)56(88)79-31-14-24-48(79)58(90)78-30-12-22-46(78)54(86)70-35-49(81)71-43(33-37-15-4-2-5-16-37)52(84)76-45(36-80)57(89)77-29-13-23-47(77)55(87)75-44(34-38-17-6-3-7-18-38)53(85)74-42(59(91)92)21-11-28-69-61(66)67/h2-7,15-18,39-48,80H,8-14,19-36,62-63H2,1H3,(H,70,86)(H,71,81)(H,72,82)(H,73,83)(H,74,85)(H,75,87)(H,76,84)(H,91,92)(H4,64,65,68)(H4,66,67,69)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1"	""	""	""
"5836"	"Met-Met-Trp-Leu-Leu"	""	"Peptide"	""	""	""	""	"178102461"	"134813890"	""	""	""	""	""	""	""	""	""	""	"CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCSC)N"	"HOPVQBLVLLHWOU-BLVAWXTGSA-N"	"InChI=1S/C33H52N6O6S2/c1-19(2)15-26(31(42)39-28(33(44)45)16-20(3)4)37-32(43)27(17-21-18-35-24-10-8-7-9-22(21)24)38-30(41)25(12-14-47-6)36-29(40)23(34)11-13-46-5/h7-10,18-20,23,25-28,35H,11-17,34H2,1-6H3,(H,36,40)(H,37,43)(H,38,41)(H,39,42)(H,44,45)/t23-,25-,26-,27-,28-/m0/s1"	""	""	""
"241"	"metoclopramide"	""	"Synthetic organic"	"yes"	""	""	""	"135650598"	"4168"	""	""	"CHEMBL86"	""	""	""	""	"4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxybenzamide"	"metoclopramide"	"Gimoti&reg; (metoclopramide nasal spray)|metaclopromide|methochlopramide|metochlopramide|metoclopramide hydrochloride|Reglan&reg;"	"CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC"	"TTWJBBZEZQICBI-UHFFFAOYSA-N"	"InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)"	""	""	""
"4838"	"metolazone"	""	"Synthetic organic"	"yes"	""	""	""	"178101540"	"4170"	""	""	"CHEMBL878"	""	""	""	""	"7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide"	"metolazone"	"SR-720-22|Zaroxolyn&reg;"	"CC1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(=O)(=O)N"	"AQCHWTWZEMGIFD-UHFFFAOYSA-N"	"InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)"	""	""	""
"11140"	"metopimazine"	""	"Synthetic organic"	"yes"	""	""	""	"434122200"	"26388"	""	""	"CHEMBL398615"	""	""	""	""	"1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide"	"metopimazine"	"EXP-999|NG-101|RP-9965|Vogalene&reg;"	"NC(=O)C1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)C"	"BQDBKDMTIJBJLA-UHFFFAOYSA-N"	"InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)"	""	""	""
"7412"	"metoprine"	""	"Synthetic organic"	""	""	""	""	"178103984"	"24466"	""	""	"CHEMBL264373"	""	""	""	""	"5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-2,4-DIAMINE"	""	"BW-197U|DDMP|methodichlorophen|NSC-19494|NSC7364|TCMDC-123931"	"Nc1nc(C)c(c(n1)N)c1ccc(c(c1)Cl)Cl"	"VQJHOPSWBGJHQS-UHFFFAOYSA-N"	"InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)"	""	""	""
"553"	"metoprolol"	""	"Synthetic organic"	"yes"	""	""	""	"135650599"	"4171"	""	""	"CHEMBL13"	""	""	""	""	"1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol"	"metoprolol"	"CGP-2175C|GP-2175E|H-93/26|Lopressor&reg;|Toprol&reg;"	"COCCc1ccc(cc1)OCC(CNC(C)C)O"	"IUBSYMUCCVWXPE-UHFFFAOYSA-N"	"InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3"	""	""	""
"7333"	"metreleptin"	""	"Peptide"	"yes"	""	""	""	"178103905"	"0"	""	""	"CHEMBL2107857"	""	""	""	""	""	"metreleptin"	"Myalept&reg;|r-metHuLeptin|R-methuleptin"	""	""	""	""	""	""
"2137"	"MeTRH"	""	"Synthetic organic"	""	""	""	""	"135650600"	"5311291"	""	""	""	""	""	""	""	"(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide"	""	"His(1-methyl)-thyrotropin-releasing hormone|His(1-methyl)-TRH|pGlu-His(1(&tau;)-methyl)-ProNH<sub>2</sub>"	"O=C(N1CCC[C@H]1C(=O)N)[C@@H](NC(=O)[C@@H]1CCC(=O)N1C)Cc1[nH]cnc1"	"DJLHRAHTTSWYAW-AVGNSLFASA-N"	"InChI=1S/C17H24N6O4/c1-22-13(4-5-14(22)24)16(26)21-11(7-10-8-19-9-20-10)17(27)23-6-2-3-12(23)15(18)25/h8-9,11-13H,2-7H2,1H3,(H2,18,25)(H,19,20)(H,21,26)/t11-,12-,13-/m0/s1"	""	""	""
"426"	"metrifudil"	""	"Synthetic organic"	""	""	""	""	"135650601"	"65710"	""	""	"CHEMBL331382"	""	""	""	""	"(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylamino]purin-9-yl]oxolane-3,4-diol"	"metrifudil"	"TH-322|Y-341"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccccc1C"	"OOEMZCZWZXHBKW-SCFUHWHPSA-N"	"InChI=1S/C18H21N5O4/c1-10-4-2-3-5-11(10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1"	""	""	""
"10914"	"metronidazole"	""	"Synthetic organic"	"yes"	""	""	""	"405560355"	"4173"	""	""	"CHEMBL137"	""	""	""	""	"2-(2-methyl-5-nitroimidazol-1-yl)ethanol"	"metronidazole"	"BAY-5360|BAYER 5360|Flagyl&reg;|Metrogel&reg;|ROZEX&reg;"	"OCCn1c(C)ncc1[N+](=O)[O-]"	"VAOCPAMSLUNLGC-UHFFFAOYSA-N"	"InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3"	""	""	"yes"
"1659"	"[Met<sup>5</sup>]dynorphin-(1-17)"	""	"Peptide"	""	""	""	""	"135652287"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5224"	"metyrapone"	""	"Synthetic organic"	"yes"	""	""	""	"178101909"	"4174"	""	""	"CHEMBL934"	""	""	""	""	"2-methyl-1,2-bis(pyridin-3-yl)propan-1-one"	"metyrapone"	"mepyrapone|Metopirone&reg;"	"O=C(C(c1cccnc1)(C)C)c1cccnc1"	"FJLBFSROUSIWMA-UHFFFAOYSA-N"	"InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3"	""	""	""
"3031"	"mevastatin"	""	"Synthetic organic"	""	""	""	""	"135650602"	"64715"	""	""	"CHEMBL54440"	""	""	""	""	"[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate"	"mevastatin"	"compactin|ML-236B"	"CC[C@@H](C(=O)O[C@H]1CCC=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)C"	"AJLFOPYRIVGYMJ-INTXDZFKSA-N"	"InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1"	""	""	""
"10506"	"mevidalen"	""	"Synthetic organic"	""	""	""	""	"387065588"	"86290953"	""	""	"CHEMBL3421729"	""	""	""	""	"2-(2,6-dichlorophenyl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone"	"mevidalen"	"compound 3 [PMID: 31532644]|LY-3154207|LY3154207"	"OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C"	"XHCSBQBBGNQINS-DOTOQJQBSA-N"	"InChI=1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1"	""	""	""
"10467"	"mevociclib"	""	"Synthetic organic"	""	""	""	""	"385612227"	"118426108"	""	""	""	""	""	""	""	"N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-5-[[(E)-4-(dimethylamino)but-2-enoyl]amino]pyridine-2-carboxamide"	"mevociclib"	"compound 264 [WO2015154039A2]|SY-1365|SY1365"	"CN(C/C=C/C(=O)Nc1ccc(nc1)C(=O)N[C@@]1(C)CCC[C@H](C1)Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)C"	"SCJNYBYSTCRPAO-LXBQGUBHSA-N"	"InChI=1S/C31H35ClN8O2/c1-31(39-29(42)26-13-12-21(17-33-26)36-27(41)11-7-15-40(2)3)14-6-8-20(16-31)37-30-35-19-24(32)28(38-30)23-18-34-25-10-5-4-9-22(23)25/h4-5,7,9-13,17-20,34H,6,8,14-16H2,1-3H3,(H,36,41)(H,39,42)(H,35,37,38)/b11-7+/t20-,31+/m1/s1"	""	""	""
"10516"	"mevrometostat"	""	"Synthetic organic"	""	""	""	""	"387065598"	"118572065"	""	""	"CHEMBL4080228"	""	""	""	""	"5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1-one"	"mevrometostat"	"compound 23a [PMID: 29211475]|PF-06821497|PF06821497"	"CO[C@@H](c1cc(Cl)c2c(c1Cl)C(=O)N(CC2)Cc1c(OC)cc([nH]c1=O)C)C1COC1"	"RXCVUHMIWHRLDF-HXUWFJFHSA-N"	"InChI=1S/C22H24Cl2N2O5/c1-11-6-17(29-2)15(21(27)25-11)8-26-5-4-13-16(23)7-14(19(24)18(13)22(26)28)20(30-3)12-9-31-10-12/h6-7,12,20H,4-5,8-10H2,1-3H3,(H,25,27)/t20-/m1/s1"	""	""	""
"2629"	"mexiletine"	""	"Synthetic organic"	"yes"	""	""	""	"135650603"	"4178"	""	""	"CHEMBL558"	""	""	""	""	"1-(2,6-dimethylphenoxy)propan-2-amine"	"mexiletine"	"Mexitil&reg;"	"CC(COc1c(C)cccc1C)N"	"VLPIATFUUWWMKC-UHFFFAOYSA-N"	"InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3"	""	""	""
"10609"	"mezagitamab"	""	"Antibody"	""	""	""	""	"404859056"	"0"	""	""	""	""	""	""	""	""	"mezagitamab"	"TAK-079|TAK079"	""	""	""	"yes"	""	""
"12718"	"mezigdomide"	""	"Synthetic organic"	""	""	""	""	"483123266"	"137379043"	""	""	"CHEMBL4648616"	""	""	""	""	"4-[4-[[4-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]-3-fluorobenzonitrile"	"mezigdomide"	"BMS-986348|BMS986348|CC-92480|CC92480|compound 4 [PMID: 32130004]"	"O=C1NC([C@H](CC1)N2CC=3C(OCC4=CC=C(CN5CCN(C6=CC=C(C#N)C=C6F)CC5)C=C4)=CC=CC3C2=O)=O"	"YTINZZFBHWSAGL-NDEPHWFRSA-N"	"InChI=1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40)/t28-/m0/s1"	"yes"	""	""
"12272"	"mezlocillin"	""	"Synthetic organic"	"yes"	"yes"	""	""	"473153860"	"656511"	""	""	"CHEMBL1731"	""	""	""	""	"(2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"mezlocillin"	"BAYPEN&reg;|Mezlin&reg;|Multocillin&reg;"	"CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)NC(=O)N1CCN(C1=O)S(=O)(=O)C)C(=O)O)C"	"YPBATNHYBCGSSN-VWPFQQQWSA-N"	"InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1"	""	""	"yes"
"14645"	"MF-094"	""	"Synthetic organic"	""	""	""	""	"530846893"	"138319686"	""	""	"CHEMBL4529848"	""	""	""	""	"N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide"	""	"analog 31 [PMID: 29935771]|compound #4c [US10968172]|MF094"	"CC(C)(C)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4CCCCC4"	"DQXORJHBZHLLTE-SANMLTNESA-N"	"InChI=1S/C30H37N3O4S/c1-30(2,3)33-38(36,37)27-19-11-16-23-24(27)17-10-18-25(23)31-29(35)26(20-21-12-6-4-7-13-21)32-28(34)22-14-8-5-9-15-22/h4,6-7,10-13,16-19,22,26,33H,5,8-9,14-15,20H2,1-3H3,(H,31,35)(H,32,34)/t26-/m0/s1"	"yes"	""	""
"6068"	"MF266-1"	""	"Synthetic organic"	""	""	""	""	"178102689"	"11306423"	""	""	"CHEMBL185346"	""	""	""	""	"1-[5-[3-[5-chloro-2-(phenylmethoxy)phenyl]thiophen-2-yl]pyridin-3-yl]-2,2,2-trifluoroethane-1,1-diol"	""	""	"Clc1ccc(c(c1)c1ccsc1c1cncc(c1)C(C(F)(F)F)(O)O)OCc1ccccc1"	"JCCQFQOPADDTRS-UHFFFAOYSA-N"	"InChI=1S/C24H17ClF3NO3S/c25-18-6-7-21(32-14-15-4-2-1-3-5-15)20(11-18)19-8-9-33-22(19)16-10-17(13-29-12-16)23(30,31)24(26,27)28/h1-13,30-31H,14H2"	""	""	""
"5856"	"MF 498"	""	"Synthetic organic"	""	""	""	""	"178102480"	"15948325"	""	""	"CHEMBL402162"	""	""	""	""	"N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide"	""	"C528911|MF-498"	"CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC"	"WVLIUERFVJYBNY-UHFFFAOYSA-N"	"InChI=1S/C32H33N3O7S/c1-5-41-30-23-11-9-15-33-29(23)31(42-6-2)24-18-35(32(37)28(24)30)25-14-13-21(16-20(25)3)19-43(38,39)34-27(36)17-22-10-7-8-12-26(22)40-4/h7-16H,5-6,17-19H2,1-4H3,(H,34,36)"	""	""	""
"14084"	"MF63"	""	"Synthetic organic"	""	""	""	""	"518520711"	"16070041"	""	""	"CHEMBL412099"	""	""	""	""	"2-(6-chloro-3H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile"	""	"MF-63"	"C1=CC=C2C(=C1)C3=C(C=CC(=C3)Cl)C4=C2N=C(N4)C5=C(C=CC=C5C#N)C#N"	"BVFLHOOKHPFDCT-UHFFFAOYSA-N"	"InChI=1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)"	""	""	""
"13381"	"MG-101"	""	"Peptide"	""	""	""	""	"496703351"	"443118"	""	""	"CHEMBL304784"	""	""	""	""	"(2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]pentan-2-yl]pentanamide"	""	"MG101|N-acetyl-L-leucyl-L-leucyl-L-norleucinal"	"CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C"	"FMYKJLXRRQTBOR-BZSNNMDCSA-N"	"InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1"	""	""	""
"11639"	"MG-115"	""	"Peptide"	""	""	""	""	"442878666"	"9868928"	""	""	"CHEMBL4518490"	""	""	""	""	"benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate"	""	"Cbz-Leu-Leu-norvalinal|N-benzyloxycarbonyl-L-leucyl-L-leucyl-L-norvalinal|Z-LL-Nva-CHO"	"CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)C=O"	"QEJRGURBLQWEOU-FKBYEOEOSA-N"	"InChI=1S/C25H39N3O5/c1-6-10-20(15-29)26-23(30)21(13-17(2)3)27-24(31)22(14-18(4)5)28-25(32)33-16-19-11-8-7-9-12-19/h7-9,11-12,15,17-18,20-22H,6,10,13-14,16H2,1-5H3,(H,26,30)(H,27,31)(H,28,32)/t20-,21-,22-/m0/s1"	""	""	""
"8616"	"MG-132"	""	"Peptide"	""	""	""	""	"252166817"	"462382"	""	""	"CHEMBL64925"	""	""	""	""	"phenylmethyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate"	""	"compound 5b [PMID: 16686537]|MG132|N-benzyloxycarbonyl-L-leucyl-L-leucyl-L-leucinal|Z-Leu-leu-leu-al|Z-LLL-CHO"	"O=C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C"	"TZYWCYJVHRLUCT-VABKMULXSA-N"	"InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1"	""	""	""
"7488"	"MG149"	""	"Synthetic organic"	""	""	""	""	"187051791"	"49864204"	""	""	"CHEMBL1215739"	""	""	""	""	"2-[2-(4-heptylphenyl)ethyl]-6-hydroxybenzoic acid"	""	"MG 149|MG-149"	"CCCCCCCc1ccc(cc1)CCc1cccc(c1C(=O)O)O"	"WBHQYBZRTAEHRR-UHFFFAOYSA-N"	"InChI=1S/C22H28O3/c1-2-3-4-5-6-8-17-11-13-18(14-12-17)15-16-19-9-7-10-20(23)21(19)22(24)25/h7,9-14,23H,2-6,8,15-16H2,1H3,(H,24,25)"	""	""	""
"11724"	"MG-277"	""	"Synthetic organic"	""	""	""	""	"458923759"	"139600332"	""	""	"CHEMBL4449512"	""	""	""	""	""	""	"MG277"	"C1CCC2(CC1)[C@@]1([C@H]([C@@H](N2)C(=O)NCCCCCc2c3CN(C(=O)c3ccc2)C2CCC(=O)NC2=O)c2c(c(ccc2)Cl)F)c2c(cc(cc2)Cl)NC1=O"	"BANRYGZZIMCKNA-OYGJEQPESA-N"	"InChI=1S/C41H42Cl2FN5O5/c42-24-14-15-28-30(21-24)46-39(54)41(28)33(26-12-8-13-29(43)34(26)44)35(48-40(41)18-4-2-5-19-40)37(52)45-20-6-1-3-9-23-10-7-11-25-27(23)22-49(38(25)53)31-16-17-32(50)47-36(31)51/h7-8,10-15,21,31,33,35,48H,1-6,9,16-20,22H2,(H,45,52)(H,46,54)(H,47,50,51)/t31?,33-,35+,41+/m0/s1"	""	""	""
"10996"	"MGB-BP-3"	""	"Synthetic organic"	""	""	""	""	"405560437"	"23730143"	""	""	"CHEMBL236345"	""	""	""	""	"1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-4-[[4-[(E)-2-quinolin-3-ylethenyl]benzoyl]amino]pyrrole-2-carboxamide"	""	"compound 50 [PMID: 17960927]|MGB-BP3"	"O=C(c1ccc(cc1)/C=C/c1cnc2c(c1)cccc2)Nc1cc(n(c1)C)C(=O)Nc1cc(n(c1)C)C(=O)NCCN1CCOCC1"	"OEKXCVYZBVOWBR-BQYQJAHWSA-N"	"InChI=1S/C36H37N7O4/c1-41-24-30(20-32(41)35(45)37-13-14-43-15-17-47-18-16-43)40-36(46)33-21-29(23-42(33)2)39-34(44)27-11-9-25(10-12-27)7-8-26-19-28-5-3-4-6-31(28)38-22-26/h3-12,19-24H,13-18H2,1-2H3,(H,37,45)(H,39,44)(H,40,46)/b8-7+"	""	""	"yes"
"11998"	"mGIPAnt-1"	""	"Peptide"	""	""	""	""	"464244139"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1395"	"MGS0028"	""	"Synthetic organic"	""	""	""	""	"135650604"	"9837317"	""	""	"CHEMBL121053"	""	""	""	""	"(1R,2S,5S,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid"	""	"MGS 0028|MGS-0028"	"O=C1C[C@@]([C@H]2[C@@H]1[C@]2(F)C(=O)O)(N)C(=O)O"	"KFAGJPNFERWZJA-JKBXLQNXSA-N"	"InChI=1S/C8H8FNO5/c9-8(6(14)15)3-2(11)1-7(10,4(3)8)5(12)13/h3-4H,1,10H2,(H,12,13)(H,14,15)/t3-,4-,7+,8-/m1/s1"	""	""	""
"1397"	"MGS0039"	""	"Synthetic organic"	""	""	""	""	"135650605"	"9886034"	""	""	"CHEMBL186453"	""	""	""	""	"(1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid"	""	"MGS 0039|MGS-0039"	"OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O"	"LFAGGDAZZKUVKO-JAGWWQSPSA-N"	"InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1"	""	""	""
"708"	"Mg<sup>2+</sup>"	""	"Inorganic"	""	""	""	""	"135652741"	"888"	""	""	""	""	""	""	""	""	""	"magnesium ion"	""	""	""	""	""	""
"6250"	"MHC binding peptide"	""	"Peptide"	""	""	""	""	"178102870"	"10079900"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](C)CC"	"LZOIGVDSAMDBIO-LXWJMTKESA-N"	"InChI=1S/C55H86N10O13S/c1-11-31(7)44(52(74)60-38(24-29(3)4)49(71)65-46(33(9)66)54(76)62-42(55(77)78)25-30(5)6)64-51(73)41(28-43(57)68)61-53(75)45(32(8)12-2)63-50(72)40(26-34-16-14-13-15-17-34)59-48(70)39(27-35-18-20-36(67)21-19-35)58-47(69)37(56)22-23-79-10/h13-21,29-33,37-42,44-46,66-67H,11-12,22-28,56H2,1-10H3,(H2,57,68)(H,58,69)(H,59,70)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H,65,71)(H,77,78)/t31-,32-,33+,37-,38-,39-,40-,41-,42-,44-,45-,46-/m0/s1"	""	""	""
"12826"	"MI-05"	""	"Synthetic organic"	""	""	""	""	"483123374"	"168433315"	""	""	""	""	""	""	""	""	""	"MI05"	"CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C=O)C(=O)COC4=CC=C(F)C(F)=C4"	"YAZLWQBKWOGOIO-ZUFXTUFISA-N"	"InChI=1S/C23H27F2N3O5/c1-23(2)15-9-28(18(30)11-33-14-3-4-16(24)17(25)8-14)20(19(15)23)22(32)27-13(10-29)7-12-5-6-26-21(12)31/h3-4,8,10,12-13,15,19-20H,5-7,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,13-,15-,19-,20-/m0/s1"	""	""	""
"12828"	"MI-06"	""	"Synthetic organic"	""	""	""	""	"483123376"	"168433317"	""	""	""	""	""	""	""	""	""	"MI06"	"COC1=CC=C(OCC(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O)C3(C)C)C=C1OC"	"XWPVHYBRIIHPSA-MQGCXBLESA-N"	"InChI=1S/C25H33N3O7/c1-25(2)17-11-28(20(30)13-35-16-5-6-18(33-3)19(10-16)34-4)22(21(17)25)24(32)27-15(12-29)9-14-7-8-26-23(14)31/h5-6,10,12,14-15,17,21-22H,7-9,11,13H2,1-4H3,(H,26,31)(H,27,32)/t14-,15-,17-,21-,22-/m0/s1"	""	""	""
"11440"	"MI-09"	""	"Synthetic organic"	""	""	""	""	"440816809"	"155817518"	""	""	""	""	""	""	""	"(1R,2S,5S)-6,6-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-{2-[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide"	""	"compound 11i [PMID: 33602867]"	"O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)COc1ccc(cc1)OC(F)(F)F"	"RBWMYPKAPIYTJQ-VMBFOHBNSA-N"	"InChI=1S/C24H28F3N3O6/c1-23(2)17-10-30(18(32)12-35-15-3-5-16(6-4-15)36-24(25,26)27)20(19(17)23)22(34)29-14(11-31)9-13-7-8-28-21(13)33/h3-6,11,13-14,17,19-20H,7-10,12H2,1-2H3,(H,28,33)(H,29,34)/t13-,14-,17-,19-,20-/m0/s1"	""	""	""
"12827"	"MI-11"	""	"Synthetic organic"	""	""	""	""	"483123375"	"168433316"	""	""	""	""	""	""	""	""	""	"MI11"	"CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C=O)C(=O)COC4=C(Cl)C=C(Br)C=C4"	"AKYGJRDGGYTORB-ZUHDPNGNSA-N"	"InChI=1S/C23H27BrClN3O5/c1-23(2)15-9-28(18(30)11-33-17-4-3-13(24)8-16(17)25)20(19(15)23)22(32)27-14(10-29)7-12-5-6-26-21(12)31/h3-4,8,10,12,14-15,19-20H,5-7,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,14-,15-,19-,20-/m0/s1"	""	""	""
"8601"	"MI-1148"	""	"Synthetic organic"	""	""	""	""	"252166802"	"91758390"	""	""	""	""	""	""	""	"(2S)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[4-[(diaminomethylideneamino)methyl]phenyl]acetyl]amino]pentanoyl]amino]-3,3-dimethylbutanamide"	""	"4-guanidinomethyl-phenylacteyl-Arg-Tle-Arg-4-amidinobenzylamide|para-guanidinomethyl-Phac-R-Tle-R-Amba"	"CC([C@@H](C(=O)N[C@H](C(=O)NCc1ccc(cc1)C(=N)N)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)CN=C(N)N)CCCN=C(N)N)(C)C"	"HXVPWVPTVOOCMV-UNCTUWKVSA-N"	"InChI=1S/C36H57N15O4/c1-36(2,3)28(32(55)50-25(6-4-16-45-33(39)40)30(53)47-19-23-12-14-24(15-13-23)29(37)38)51-31(54)26(7-5-17-46-34(41)42)49-27(52)18-21-8-10-22(11-9-21)20-48-35(43)44/h8-15,25-26,28H,4-7,16-20H2,1-3H3,(H3,37,38)(H,47,53)(H,49,52)(H,50,55)(H,51,54)(H4,39,40,45)(H4,41,42,46)(H4,43,44,48)/t25-,26-,28+/m0/s1"	""	""	""
"12824"	"MI-13"	""	"Synthetic organic"	""	""	""	""	"483123372"	"168433314"	""	""	""	""	""	""	""	""	""	"MI13"	"CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C=O)C(=O)COC4=CC=C(Cl)C(Cl)=C4"	"WUFNYTJVPNYFBX-ZUFXTUFISA-N"	"InChI=1S/C23H27Cl2N3O5/c1-23(2)15-9-28(18(30)11-33-14-3-4-16(24)17(25)8-14)20(19(15)23)22(32)27-13(10-29)7-12-5-6-26-21(12)31/h3-4,8,10,12-13,15,19-20H,5-7,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,13-,15-,19-,20-/m0/s1"	""	""	""
"12825"	"MI-14"	""	"Synthetic organic"	""	""	""	""	"483123373"	"166964222"	""	""	""	""	""	""	""	"(1R,2S,5S)-3-[2-(2,4-dichlorophenoxy)acetyl]-6,6-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide"	""	"MI14"	"CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C=O)C(=O)COC4=C(Cl)C=C(Cl)C=C4"	"BDFIPRXCQILSGM-ZUHDPNGNSA-N"	"InChI=1S/C23H27Cl2N3O5/c1-23(2)15-9-28(18(30)11-33-17-4-3-13(24)8-16(17)25)20(19(15)23)22(32)27-14(10-29)7-12-5-6-26-21(12)31/h3-4,8,10,12,14-15,19-20H,5-7,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,14-,15-,19-,20-/m0/s1"	""	""	""
"12822"	"MI-21"	""	"Synthetic organic"	""	""	""	""	"483123370"	"168433312"	""	""	""	""	""	""	""	""	""	"MI21"	"FC1=CC(CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O)=CC=C1"	"FIOKKXQKMFIASF-DFPMAUPISA-N"	"InChI=1S/C24H30FN3O4/c25-18-5-1-3-15(11-18)7-8-21(30)28-13-17-4-2-6-20(17)22(28)24(32)27-19(14-29)12-16-9-10-26-23(16)31/h1,3,5,11,14,16-17,19-20,22H,2,4,6-10,12-13H2,(H,26,31)(H,27,32)/t16-,17-,19-,20-,22-/m0/s1"	""	""	""
"11432"	"MI-23"	""	"Synthetic organic"	""	""	""	""	"440816801"	"155804440"	""	""	""	""	""	""	""	""	""	"compound 18i [PMID: 33602867]"	"O=C[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CCc1cc(F)cc(c1)F)C[C@@H]1CCNC1=O"	"ZUAZJPLYYVHKFN-NAFADOBPSA-N"	"InChI=1S/C24H29F2N3O4/c25-17-8-14(9-18(26)11-17)4-5-21(31)29-12-16-2-1-3-20(16)22(29)24(33)28-19(13-30)10-15-6-7-27-23(15)32/h8-9,11,13,15-16,19-20,22H,1-7,10,12H2,(H,27,32)(H,28,33)/t15-,16-,19-,20-,22-/m0/s1"	""	""	""
"12823"	"MI-28"	""	"Synthetic organic"	""	""	""	""	"483123371"	"168433313"	""	""	""	""	""	""	""	""	""	"MI28"	"ClC1=CC=C(OCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O)C=C1"	"PTTIGZHWNGKYAO-BPNDGJTPSA-N"	"InChI=1S/C23H28ClN3O5/c24-16-4-6-18(7-5-16)32-13-20(29)27-11-15-2-1-3-19(15)21(27)23(31)26-17(12-28)10-14-8-9-25-22(14)30/h4-7,12,14-15,17,19,21H,1-3,8-11,13H2,(H,25,30)(H,26,31)/t14-,15-,17-,19-,21-/m0/s1"	""	""	""
"8103"	"MI-3"	""	"Synthetic organic"	""	""	""	""	"249565783"	"51001299"	""	""	""	""	""	""	""	"4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine"	""	""	"CC(c1sc2c(c1)c(ncn2)N1CCN(CC1)C1=NCC(S1)(C)C)C"	"FUGQNAUKABUDQI-UHFFFAOYSA-N"	"InChI=1S/C18H25N5S2/c1-12(2)14-9-13-15(20-11-21-16(13)24-14)22-5-7-23(8-6-22)17-19-10-18(3,4)25-17/h9,11-12H,5-8,10H2,1-4H3"	""	""	""
"11441"	"MI-30"	""	"Synthetic organic"	""	""	""	""	"440816810"	"155817519"	""	""	""	""	""	""	""	"(1S,3aR,6aS)-2-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide"	""	"compound 18p [PMID:33602867]"	"O=C[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)COc1ccc(cc1Cl)Cl)C[C@@H]1CCNC1=O"	"HKJKOHDJUKCNRG-ZEAPZOAHSA-N"	"InChI=1S/C23H27Cl2N3O5/c24-15-4-5-19(18(25)9-15)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-16(11-29)8-13-6-7-26-22(13)31/h4-5,9,11,13-14,16-17,21H,1-3,6-8,10,12H2,(H,26,31)(H,27,32)/t13-,14-,16-,17-,21-/m0/s1"	""	""	""
"9526"	"MI-503"	""	"Synthetic organic"	""	""	""	""	"336446912"	"91667931"	""	""	""	""	""	""	""	"4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile"	""	""	"N#Cc1cc2c(n1Cc1c[nH]nc1)ccc(c2C)CN1CCC(CC1)Nc1ncnc2c1cc(s2)CC(F)(F)F"	"DETOMBLLEOZTMZ-UHFFFAOYSA-N"	"InChI=1S/C28H27F3N8S/c1-17-19(2-3-25-23(17)8-21(11-32)39(25)14-18-12-35-36-13-18)15-38-6-4-20(5-7-38)37-26-24-9-22(10-28(29,30)31)40-27(24)34-16-33-26/h2-3,8-9,12-13,16,20H,4-7,10,14-15H2,1H3,(H,35,36)(H,33,34,37)"	""	""	""
"135"	"mianserin"	""	"Synthetic organic"	"yes"	""	""	""	"135650606"	"4184"	""	""	"CHEMBL6437"	""	""	""	""	"5-methyl-2,5-diazatetracyclo[13.4.0.0^{2,7}.0^{8,13}]nonadeca-1(19),8,10,12,15,17-hexaene"	"mianserin"	"(+-)-athymil|Norval&reg;|ORG GB 94"	"CN1CCN2C(C1)c1ccccc1Cc1c2cccc1"	"UEQUQVLFIPOEMF-UHFFFAOYSA-N"	"InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3"	""	""	""
"2522"	"mibefradil"	""	"Synthetic organic"	"yes"	"yes"	""	""	"53801058"	"60663"	""	""	"CHEMBL45816"	""	""	""	""	"[(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methoxyacetate"	"mibefradil"	"Posicor&reg;|Ro-405967-001"	"COCC(=O)O[C@]1(CCN(CCCc2nc3c([nH]2)cccc3)C)CCc2c([C@@H]1C(C)C)ccc(c2)F"	"HBNPJJILLOYFJU-VMPREFPWSA-N"	"InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1"	""	""	""
"2859"	"mibolerone"	""	"Synthetic organic"	""	""	""	""	"135650607"	"251636"	""	""	"CHEMBL425863"	""	""	""	""	"(7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,13,17-trimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one"	"mibolerone"	"(7alpha,17beta)-17-hydroxy-7,17-dimethylestr-4-en-3-one"	"O=C1CC[C@H]2C(=C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C"	"PTQMMNYJKCSPET-OMHQDGTGSA-N"	"InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1"	""	""	""
"13701"	"micheliolide"	""	"Natural product"	""	""	""	""	"507750335"	"442279"	""	""	"CHEMBL449579"	""	""	""	""	"(3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one"	""	""	"CC1=C2CC[C@@]([C@@H]2[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)(C)O"	"RDJAFOWISVMOJY-PWNZVWSESA-N"	"InChI=1S/C15H20O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13-,15+/m0/s1"	""	""	""
"2449"	"miconazole"	""	"Synthetic organic"	"yes"	""	""	""	"53801024"	"4189"	""	""	"CHEMBL91"	""	""	""	""	"1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole"	"miconazole"	"florid(nitrate)|Monistat&reg;|R-14889"	"Clc1ccc(c(c1)Cl)COC(c1ccc(cc1Cl)Cl)Cn1cncc1"	"BYBLEWFAAKGYCD-UHFFFAOYSA-N"	"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2"	""	""	""
"14257"	"microcin J25"	""	"Peptide"	""	""	""	""	"521588897"	"57397977"	""	""	"CHEMBL1945674"	""	""	""	""	""	""	"Mcc25|MccJ25"	"CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@@H]6CCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N7CCC[C@H]7C(=O)N6)C(C)C)CC8=CN=CN8)C"	"FRJVEVHOMWPHHN-UBTJVNBSSA-N"	"InChI=1S/C101H139N23O27/c1-11-55(7)84(98(148)107-49-80(134)119-86(58(10)126)101(151)124-38-20-26-74(124)96(146)122-85(56(8)12-2)99(149)117-72(51-125)94(144)116-68(39-59-21-15-13-16-22-59)90(140)113-67(88(138)108-50-81(135)136)41-61-27-31-64(127)32-28-61)118-79(133)48-106-97(147)82(53(3)4)120-92(142)70(40-60-23-17-14-18-24-60)115-91(141)69(42-62-29-33-65(128)34-30-62)114-89(139)66-35-36-75(129)103-45-76(130)104-46-77(131)110-57(9)87(137)105-47-78(132)111-71(43-63-44-102-52-109-63)93(143)121-83(54(5)6)100(150)123-37-19-25-73(123)95(145)112-66/h13-18,21-24,27-34,44,52-58,66-74,82-86,125-128H,11-12,19-20,25-26,35-43,45-51H2,1-10H3,(H,102,109)(H,103,129)(H,104,130)(H,105,137)(H,106,147)(H,107,148)(H,108,138)(H,110,131)(H,111,132)(H,112,145)(H,113,140)(H,114,139)(H,115,141)(H,116,144)(H,117,149)(H,118,133)(H,119,134)(H,120,142)(H,121,143)(H,122,146)(H,135,136)/t55-,56-,57-,58+,66-,67-,68-,69-,70-,71-,72-,73-,74-,82-,83-,84-,85-,86-/m0/s1"	""	""	"yes"
"4735"	"microcystin-LR"	""	"Natural product"	""	""	""	""	"178101446"	"445434"	""	""	"CHEMBL444092"	""	""	""	""	"(5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid"	""	"toxin-LR"	"CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)\C)C)Cc1ccccc1"	"ZYZCGGRZINLQBL-GWRQVWKTSA-N"	"InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1"	""	""	""
"12162"	"micronomicin"	""	"Natural product"	"yes"	""	""	""	"472319284"	"3037206"	""	""	"CHEMBL373081"	""	""	""	""	"(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol"	"micronomicin"	"gentamicin C2b|Sagamicin&reg;|XK-62-2"	"C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@@H]1[C@@H](CC[C@H](O1)CNC)N)N)N)O"	"DNYGXMICFMACRA-XHEDQWPISA-N"	"InChI=1S/C20H41N5O7/c1-20(28)8-29-19(14(27)17(20)25-3)32-16-12(23)6-11(22)15(13(16)26)31-18-10(21)5-4-9(30-18)7-24-2/h9-19,24-28H,4-8,21-23H2,1-3H3/t9-,10+,11-,12+,13-,14+,15+,16-,17+,18+,19+,20-/m0/s1"	""	""	"yes"
"9275"	"microtubule associated protein tau"	"Human"	"Peptide"	""	""	""	""	"318164794"	"0"	"P10636"	"ENSG00000186868"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3342"	"midazolam"	""	"Synthetic organic"	"yes"	""	""	""	"178100372"	"4192"	""	""	"CHEMBL655"	""	""	""	""	"12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,8,10,12-hexaene"	"midazolam"	"Buccolam&reg;|Dormicum&reg;|Nayzilam&reg;|USL261 (nasal spray formulation)|Versed&reg;"	"Clc1ccc2c(c1)C(=NCc1n2c(C)nc1)c1ccccc1F"	"DDLIGBOFAVUZHB-UHFFFAOYSA-N"	"InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3"	""	""	""
"9890"	"MIDD0301"	""	"Synthetic organic"	""	""	""	""	"363894184"	"133081966"	""	""	""	""	""	""	""	""	""	""	"Brc1ccc2c(c1)C(=N[C@@H](c1n2cnc1C(=O)O)C)c1ccccc1F"	"OSBXEAZWQGBYFU-SNVBAGLBSA-N"	"InChI=1S/C19H13BrFN3O2/c1-10-18-17(19(25)26)22-9-24(18)15-7-6-11(20)8-13(15)16(23-10)12-4-2-3-5-14(12)21/h2-10H,1H3,(H,25,26)/t10-/m1/s1"	"yes"	""	""
"13158"	"midecamycin"	""	"Natural product"	"yes"	""	""	""	"491299940"	"5282169"	""	""	"CHEMBL444963"	""	""	""	""	"[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-4-dimethylamino-5-hydroxy-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] propanoate"	"midecamycin"	"espinomycin A|platenomycin B1|rubimycin|SF-837|turimycin P3"	"CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)O)C"	"DMUAPQTXSSNEDD-QALJCMCCSA-N"	"InChI=1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3/b14-13+,17-15+/t23-,24-,25-,26+,27+,28+,29-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1"	""	""	"yes"
"10830"	"mideplanin"	""	"Peptide"	""	""	""	""	"405560271"	"16132175"	""	""	""	""	""	""	""	""	"mideplanin"	"CTA A1|MDL 62873|MDL-62873|MDL62873"	"OCC1OC(Oc2c3Oc4ccc(cc4Cl)C(OC4OC(CO)C(C(C4NC(=O)C)O)O)C4NC(=O)C(NC(=O)C5c(c3)cc2Oc2ccc(cc2Cl)CC2C(=O)NC(C(=O)N5)c3cc(O)cc(c3)Oc3cc(C(C(=O)N2)N)ccc3O)c2ccc(c(c2)c2c(C(NC4=O)C(=O)NCCCN(C)C)cc(cc2OC2OC(CO)C(C(C2O)O)O)O)O)C(C(C1O)O)NC(=O)CCCCCCC(C)C"	"KVZUWEFUEGGULL-UHFFFAOYSA-N"	"InChI=1S/C93H109Cl2N11O32/c1-38(2)11-8-6-7-9-12-65(115)100-73-79(120)76(117)63(36-108)135-92(73)138-83-60-30-45-31-61(83)132-57-20-16-43(28-52(57)95)82(137-91-72(98-39(3)110)78(119)75(116)62(35-107)134-91)74-90(129)104-71(86(125)97-21-10-22-106(4)5)50-33-47(112)34-59(133-93-81(122)80(121)77(118)64(37-109)136-93)66(50)49-27-42(15-17-54(49)113)68(87(126)105-74)102-89(128)70(45)103-88(127)69-44-25-46(111)32-48(26-44)130-58-29-41(14-18-55(58)114)67(96)85(124)99-53(84(123)101-69)24-40-13-19-56(131-60)51(94)23-40/h13-20,23,25-34,38,53,62-64,67-82,91-93,107-109,111-114,116-122H,6-12,21-22,24,35-37,96H2,1-5H3,(H,97,125)(H,98,110)(H,99,124)(H,100,115)(H,101,123)(H,102,128)(H,103,127)(H,104,129)(H,105,126)"	""	""	"yes"
"14049"	"midobrutinib"	""	"Synthetic organic"	""	""	""	""	"518520676"	"118519887"	""	""	""	""	""	""	""	"4-amino-N-(1,3-benzoxazol-2-yl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide"	"midobrutinib"	"Example 13 [US9580432B2]"	"NC1=C2C(=NC=N1)N(N=C2C(=O)NC=3OC4=C(N3)C=CC=C4)[C@H]5CN(CCC5)C(C=C)=O"	"WUMMDJMYFAWMBN-GFCCVEGCSA-N"	"InChI=1S/C21H20N8O3/c1-2-15(30)28-9-5-6-12(10-28)29-19-16(18(22)23-11-24-19)17(27-29)20(31)26-21-25-13-7-3-4-8-14(13)32-21/h2-4,7-8,11-12H,1,5-6,9-10H2,(H2,22,23,24)(H,25,26,31)/t12-/m1/s1"	""	""	""
"7240"	"midodrine"	""	"Synthetic organic"	"yes"	""	""	""	"178103814"	"4195"	""	""	"CHEMBL1201212"	""	""	""	""	"2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]ethanimidic acid"	"midodrine"	"A-4020 Linz|Proamatine&reg;|ST-1085"	"COc1ccc(cc1C(CN=C(CN)O)O)OC"	"PTKSEFOSCHHMPD-UHFFFAOYSA-N"	"InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)"	""	""	""
"5702"	"midostaurin"	""	"Synthetic organic"	"yes"	""	""	""	"178102329"	"9829523"	""	""	"CHEMBL608533"	""	""	""	""	"N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8,10,12,14(28),15(19),20(27),21,23,25-nonaen-4-yl]-N-methylbenzamide"	"midostaurin"	"CGP 41231|CGP 41251|N-benzoylstaurosporine|PKC412|Rydapt&reg;"	"CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O)N(C(=O)c1ccccc1)C"	"BMGQWWVMWDBQGC-IIFHNQTCSA-N"	"InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1"	"yes"	""	""
"8274"	"mifamurtide"	""	"Synthetic organic"	"yes"	""	""	""	"252166486"	"23725094"	""	""	""	""	""	""	""	"[3-[2-[[(2S)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate"	"mifamurtide"	"CGP 19835|CGP-19835|L-MTP-PE|liposomal muramyl tripeptide phosphatidyl ethanolamine|Mepact&reg;|MLV 19835A"	"CCCCCCCCCCCCCCCC(=O)OC(COP(=O)(OCCNC(=O)[C@@H](NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@@H](NC(=O)C)[C@H](O)O[C@@H](C1O)CO)C)C)C)O)COC(=O)CCCCCCCCCCCCCCC"	"JMUHBNWAORSSBD-ZXSMYVEWSA-N"	"InChI=1S/C59H109N6O19P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-50(69)79-40-46(83-51(70)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)41-81-85(77,78)80-38-37-61-56(73)42(3)62-49(68)36-35-47(55(60)72)65-57(74)43(4)63-58(75)44(5)82-54-52(64-45(6)67)59(76)84-48(39-66)53(54)71/h42-44,46-48,52-54,59,66,71,76H,7-41H2,1-6H3,(H2,60,72)(H,61,73)(H,62,68)(H,63,75)(H,64,67)(H,65,74)(H,77,78)/t42-,43-,44+,46?,47+,48+,52+,53?,54+,59+/m0/s1"	""	""	""
"12380"	"mifanertinib"	""	"Synthetic organic"	"yes"	""	""	""	"479821171"	"71613550"	""	""	""	""	""	""	""	"(E)-N-[4-(3-chloro-4-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]-4-(dimethylamino)but-2-enamide"	"mifanertinib"	"compound Ie/Example 5 [WO2013135176A1]|mefatinib"	"CN(C)C/C=C/C(=O)Nc1c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC(F)F"	"QPACRWFSFWQNOZ-ONEGZZNKSA-N"	"InChI=1S/C21H19ClF3N5O2/c1-30(2)7-3-4-19(31)29-17-9-13-16(10-18(17)32-21(24)25)26-11-27-20(13)28-12-5-6-15(23)14(22)8-12/h3-6,8-11,21H,7H2,1-2H3,(H,29,31)(H,26,27,28)/b4-3+"	""	""	""
"2805"	"mifepristone"	""	"Synthetic organic"	"yes"	""	""	""	"135650608"	"55245"	""	""	"CHEMBL1276308"	""	""	""	""	"(8S,11R,13S,14S,17S)-11-(4-dimethylaminophenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one"	"mifepristone"	"Mifeprex&reg;|RU-486|RU486"	"CC#C[C@]1(O)CC[C@@H]2[C@]1(C)C[C@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21"	"VKHAHZOOUSRJNA-GCNJZUOMSA-N"	"InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1"	"yes"	""	""
"9986"	"MIF inhibitor 3bb"	""	"Synthetic organic"	""	""	""	""	"374883873"	"91667576"	""	""	"CHEMBL3917143"	""	""	""	""	"3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-5-yl]oxybenzoic acid"	""	""	"OC(=O)c1cccc(c1)Oc1cccc2c1ccc(n2)c1nnn(c1)c1ccc(c(c1)F)O"	"RXHQCISHMPQZDT-UHFFFAOYSA-N"	"InChI=1S/C24H15FN4O4/c25-18-12-15(7-10-22(18)30)29-13-21(27-28-29)20-9-8-17-19(26-20)5-2-6-23(17)33-16-4-1-3-14(11-16)24(31)32/h1-13,30H,(H,31,32)"	"yes"	""	""
"10200"	"migalastat"	""	"Synthetic organic"	"yes"	""	""	""	"381118910"	"176077"	""	""	"CHEMBL110458"	""	""	""	""	"(2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol"	"migalastat"	"1-Deoxygalactonojirimycin|Galafold&reg;|GR-181413A|GR181413A"	"OC[C@H]1NC[C@@H]([C@H]([C@H]1O)O)O"	"LXBIFEVIBLOUGU-DPYQTVNSSA-N"	"InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1"	""	""	""
"4842"	"miglitol"	""	"Synthetic organic"	"yes"	""	""	""	"178101544"	"441314"	""	""	"CHEMBL1561"	""	""	""	""	"(2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol"	"miglitol"	"Glyset&reg;|N-hydroxylethyl-1-deoxynojirimycin"	"OCCN1C[C@H](O)[C@H]([C@@H]([C@H]1CO)O)O"	"IBAQFPQHRJAVAV-ULAWRXDQSA-N"	"InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1"	""	""	""
"4841"	"miglustat"	""	"Synthetic organic"	"yes"	""	""	""	"178101543"	"51634"	""	""	"CHEMBL1029"	""	""	""	""	"(2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol"	"miglustat"	"N-butyl-1-deoxynojirimycin|NB-DNJ|Zavesca&reg;"	"CCCCN1C[C@H](O)[C@H]([C@@H]([C@H]1CO)O)O"	"UQRORFVVSGFNRO-UTINFBMNSA-N"	"InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1"	""	""	""
"12970"	"migoprotafib"	""	"Synthetic organic"	""	""	""	""	"485206091"	"139512018"	""	""	""	""	""	""	""	"(3R)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine"	"migoprotafib"	"GDC-1971|GDC1971|RLY-1971|RLY1971"	"C1CC2=C(C=CC=N2)N(C1)C3=NNC4=NC(=CN=C43)N5CCC6(CC5)[C@@H](C7=CC=CC=C7O6)N"	"RGCGBFIARQENML-JOCHJYFZSA-N"	"InChI=1S/C25H26N8O/c26-22-16-5-1-2-8-19(16)34-25(22)9-13-32(14-10-25)20-15-28-21-23(29-20)30-31-24(21)33-12-4-6-17-18(33)7-3-11-27-17/h1-3,5,7-8,11,15,22H,4,6,9-10,12-14,26H2,(H,29,30,31)/t22-/m1/s1"	""	""	""
"12941"	"milademetan"	""	"Synthetic organic"	""	""	""	""	"485206062"	"73297272"	""	""	"CHEMBL4292264"	""	""	""	""	""	"milademetan"	"DS-3032|DS-3032B|DS3032|DS3032b|RAIN-32"	"CC1(CCC2(CC1)[C@@]3([C@H]([C@@H](N2)C(=O)N[C@@H]4CC[C@H](OC4)C(=O)N)C5=C(C(=NC=C5)Cl)F)C6=C(C=C(C=C6)Cl)NC3=O)C"	"RYAYYVTWKAOAJF-QISPRATLSA-N"	"InChI=1S/C30H34Cl2FN5O4/c1-28(2)8-10-29(11-9-28)30(18-5-3-15(31)13-19(18)37-27(30)41)21(17-7-12-35-24(32)22(17)33)23(38-29)26(40)36-16-4-6-20(25(34)39)42-14-16/h3,5,7,12-13,16,20-21,23,38H,4,6,8-11,14H2,1-2H3,(H2,34,39)(H,36,40)(H,37,41)/t16-,20+,21+,23-,30-/m1/s1"	""	""	""
"301"	"milameline"	""	"Synthetic organic"	""	""	""	""	"135650609"	"9571002"	""	""	"CHEMBL151938"	""	""	""	""	"N-methoxy-1-(1-methyl-5,6-dihydro-2H-pyridin-3-yl)methanimine"	"milameline"	""	"CO/N=C/C1=CCCN(C1)C"	"YMMXHEYLRHNXAB-RMKNXTFCSA-N"	"InChI=1S/C8H14N2O/c1-10-5-3-4-8(7-10)6-9-11-2/h4,6H,3,5,7H2,1-2H3/b9-6+"	""	""	""
"10463"	"milategrast"	""	"Synthetic organic"	""	""	""	""	"385612223"	"11302685"	""	""	""	""	""	""	""	"1-(cyclopropylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine"	"milategrast"	"example 9 [US20050261291A1]"	"CC1(C)CC(CC(C1)(C)C)c1ccccc1N1CCN(CC1)CC1CC1"	"PGWIKFFLIJECAM-UHFFFAOYSA-N"	"InChI=1S/C24H38N2/c1-23(2)15-20(16-24(3,4)18-23)21-7-5-6-8-22(21)26-13-11-25(12-14-26)17-19-9-10-19/h5-8,19-20H,9-18H2,1-4H3"	"yes"	""	""
"8267"	"milatuzumab"	""	"Antibody"	""	""	""	""	"252166479"	"0"	""	""	""	""	""	""	""	""	"milatuzumab"	"hLL1|IMMU-115"	""	""	""	"yes"	""	""
"7938"	"milciclib"	""	"Synthetic organic"	""	""	""	""	"249565621"	"16718576"	""	""	"CHEMBL564829"	""	""	""	""	"N,1,4,4-tetramethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide"	"milciclib"	"PHA 848125|PHA-848125|PHA848125"	"CNC(=O)c1nn(c2c1C(C)(C)Cc1c2nc(nc1)Nc1ccc(cc1)N1CCN(CC1)C)C"	"RXZMYLDMFYNEIM-UHFFFAOYSA-N"	"InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)"	""	""	""
"7436"	"milnacipran"	""	"Synthetic organic"	"yes"	""	""	""	"178104008"	"11622909"	""	""	"CHEMBL259209"	""	""	""	""	"2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide"	"milnacipran"	"Savella&reg;"	"NCC1CC1(c1ccccc1)C(=O)N(CC)CC"	"GJJFMKBJSRMPLA-UHFFFAOYSA-N"	"InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3"	""	""	""
"12371"	"milrebrutinib"	""	"Synthetic organic"	""	""	""	""	"479821162"	"134558471"	""	""	""	""	""	""	""	""	"milrebrutinib"	"AS-1763|AS1763|inhibitor 13f  [PMID: 34529443]"	"C1CC1c1cc(c2c(c1)ccn(c2=O)c1cccc(c1CO)c1c2cc([nH]c2nc(n1)N)C1=CCN(CC1)C1COC1)F"	"LJODJUIHONTDMR-UHFFFAOYSA-N"	"InChI=1S/C33H31FN6O3/c34-26-13-21(18-4-5-18)12-20-8-11-40(32(42)29(20)26)28-3-1-2-23(25(28)15-41)30-24-14-27(36-31(24)38-33(35)37-30)19-6-9-39(10-7-19)22-16-43-17-22/h1-3,6,8,11-14,18,22,41H,4-5,7,9-10,15-17H2,(H3,35,36,37,38)"	""	""	""
"5225"	"milrinone"	""	"Synthetic organic"	"yes"	""	""	""	"178101910"	"4197"	""	""	"CHEMBL189"	""	""	""	""	"6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridine-3-carbonitrile"	"milrinone"	"milrinone lactate|Primacor&reg;"	"N#Cc1cc(c2ccncc2)c([nH]c1=O)C"	"PZRHRDRVRGEVNW-UHFFFAOYSA-N"	"InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)"	""	""	""
"14405"	"milsaperidone"	""	"Synthetic organic"	"yes"	""	""	""	"523352197"	"10365268"	""	""	""	""	""	""	""	"(1S)-1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanol"	"milsaperidone"	"Bysanti&reg;|VHX-896|VHX896"	"C[C@@H](C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC)O"	"SBKZGLWZGZQVHA-INIZCTEOSA-N"	"InChI=1S/C24H29FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-17,28H,3,8-13H2,1-2H3/t16-/m0/s1"	""	""	""
"11355"	"miltefosine"	""	"Synthetic organic"	"yes"	""	""	""	"440816724"	"3599"	""	""	"CHEMBL125"	""	""	""	""	"hexadecyl 2-(trimethylazaniumyl)ethyl phosphate"	"miltefosine"	"D-18506|D18506|Impavido&reg;|Miltex&reg;|n-hexadecylphosphorylcholine"	"CCCCCCCCCCCCCCCCOP(=O)(OCC[N+](C)(C)C)[O-]"	"PQLXHQMOHUQAKB-UHFFFAOYSA-N"	"InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3"	"yes"	""	""
"11754"	"milvexian"	""	"Synthetic organic"	""	""	""	""	"458923789"	"118277544"	""	""	"CHEMBL4112929"	""	""	""	""	""	"milvexian"	"BMS-986177|BMS986177|compound 17 [PMID: 34494428]|JNJ-70033093|JNJ70033093"	"C[C@@H]1CCC[C@@H](c2nccc(c2)c2c(cnn2C(F)F)NC1=O)n1cnc(cc1=O)c1c(ccc(c1)Cl)n1cc(nn1)Cl"	"FSWFYCYPTDLKON-CMJOXMDJSA-N"	"InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1"	""	""	""
"5478"	"minaxolone"	""	"Synthetic organic"	""	""	""	""	"178102126"	"71960"	""	""	"CHEMBL2105209"	""	""	""	""	"1-[(1S,2S,4S,5S,7S,10S,11S,14S,15S,17R)-17-(dimethylamino)-4-ethoxy-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethan-1-one"	"minaxolone"	""	"CCO[C@H]1C[C@@]2(C)[C@H](C[C@@H]1O)CC[C@@H]1[C@@H]2[C@@H](C[C@]2([C@H]1CC[C@@H]2C(=O)C)C)N(C)C"	"NCGLTZSBTFVVAW-KNXRZYMVSA-N"	"InChI=1S/C25H43NO3/c1-7-29-22-14-24(3)16(12-21(22)28)8-9-17-19-11-10-18(15(2)27)25(19,4)13-20(23(17)24)26(5)6/h16-23,28H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,24-,25+/m0/s1"	""	""	""
"11993"	"mindeudesivir"	""	"Synthetic organic"	"yes"	""	""	""	"464244134"	"163358784"	""	""	"CHEMBL5314500"	""	""	""	""	""	"mindeudesivir"	"deuremidevir|JT001|Mindavi&reg;|VV-116|VV116|X6 hydrobromide [PMID: 34584244]"	"c1([2H])c2n(ncnc2N)c(c1)[C@@]1(O[C@H](COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C)C#N"	"RVSSLHFYCSUAHY-QXMJNOOVSA-N"	"InChI=1S/C24H31N5O7/c1-12(2)21(30)33-9-16-18(34-22(31)13(3)4)19(35-23(32)14(5)6)24(10-25,36-16)17-8-7-15-20(26)27-11-28-29(15)17/h7-8,11-14,16,18-19H,9H2,1-6H3,(H2,26,27,28)/t16-,18-,19-,24+/m1/s1/i7D"	""	""	""
"8334"	"minimised INSL5 analogue 7"	""	"Peptide"	""	""	""	""	"252166546"	"0"	""	""	""	"8335"	"minimised INSL5 analogue 7 A chain"	"8335:no_UniProt_ID"	"8335:no_ENS_ID"	""	""	""	""	""	""	""	""	""
"8335"	"minimised INSL5 analogue 7 A chain"	""	"Peptide"	""	""	""	""	"252166547"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8336"	"minimised relaxin-3 analogue 2"	""	"Peptide"	""	""	""	""	"252166548"	"0"	""	""	""	"8327"	"minimised relaxin-3 analogue A chain"	"8327:no_UniProt_ID"	"8327:no_ENS_ID"	""	""	""	""	""	""	""	""	""
"8326"	"minimised relaxin-3 analogue 3"	""	"Peptide"	""	""	""	""	"252166538"	"0"	""	""	""	"8327|8328"	"minimised relaxin-3 analogue A chain|minimised relaxin-3 analogue 3 B chain"	"8327:no_UniProt_ID|8328:no_UniProt_ID"	"8327:no_ENS_ID|8328:no_ENS_ID"	""	""	""	""	""	""	""	""	""
"8328"	"minimised relaxin-3 analogue 3 B chain"	""	"Peptide"	""	""	""	""	"252166540"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8327"	"minimised relaxin-3 analogue A chain"	""	"Peptide"	""	""	""	""	"252166539"	"0"	""	""	""	""	""	""	""	""	""	"minimised relaxin-3 analogue 2 A chain|minimised relaxin-3 analogue 3 A chain"	""	""	""	""	""	""
"823"	"mini-TyrRS"	""	"Peptide"	""	""	""	""	"135652289"	"0"	""	""	""	""	""	""	""	""	""	"NH<sub>2</sub>-terminal catalytic domain of human tyrosyl-tRNA synthetase"	""	""	""	""	""	""
"10831"	"minocycline"	""	"Synthetic organic"	"yes"	""	""	""	"405560272"	"54675783"	""	""	""	""	""	""	""	"(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide"	"minocycline"	"CL 59806|CL-59806|CL59806|Dynacin&reg;|MINO|Minocin&reg;|NSC-141993"	"CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(C(=C1C2=O)O)c(O)ccc3N(C)C)O)O)C(=O)N)C"	"FFTVPQUHLQBXQZ-KVUCHLLUSA-N"	"InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1"	""	""	"yes"
"3164"	"minodronic acid"	""	"Synthetic organic"	""	""	""	""	"135649663"	"130956"	""	""	"CHEMBL319144"	""	""	""	""	"(1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosphonoethyl)phosphonic acid"	"minodronic acid"	"BPH 261|ONO 5920|YH 529"	"OP(=O)(C(P(=O)(O)O)(Cc1cnc2n1cccc2)O)O"	"VMMKGHQPQIEGSQ-UHFFFAOYSA-N"	"InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)"	""	""	""
"4254"	"minoxidil"	""	"Synthetic organic"	"yes"	""	""	""	"178101071"	"4201"	""	""	"CHEMBL802"	""	""	""	""	"2,6-diamino-4-(piperidin-1-yl)pyrimidin-1-ium-1-olate"	"minoxidil"	"Rogaine&reg;"	"Nc1cc(nc([n+]1[O-])N)N1CCCCC1"	"ZFMITUMMTDLWHR-UHFFFAOYSA-N"	"InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)"	""	""	""
"7364"	"mipomersen"	""	"Nucleic acid"	"yes"	"yes"	""	""	"178103936"	"71301230"	""	""	"CHEMBL2219536"	""	""	""	""	""	"mipomersen"	"ISIS 301012 parent acid|isis-301012|Kynamro&reg;"	"COCCO[C@@H]1[C@H](SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2SP(=O)(OC[C@@H]2O[C@@H]([C@H]([C@H]2SP(=O)(OC[C@@H]2O[C@@H]([C@H]([C@H]2SP(=O)(OC[C@@H]2O[C@@H]([C@H]([C@H]2SP(=O)(OC[C@@H]2O[C@@H]([C@H]([C@H]2O)OCCOC)n2cc(C)c(nc2=O)N)[O-])OCCOC)n2cc(C)c(nc2=O)N)[O-])OCCOC)n2cnc3c2ncnc3N)[O-])OCCOC)n2cc(C)c(nc2=O)N)[O-])OCCOC)n2cnc3c2nc(N)[nH]c3=O)[O-])n2cc(C)c(nc2=O)N)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cc(C)c(nc2=O)N)[O-])n2cnc3c2nc(N)[nH]c3=O)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cc(C)c(nc2=O)N)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cnc3c2nc(N)[nH]c3=O)[O-])n2cnc3c2ncnc3N)[O-])[C@H](O[C@H]1n1cc(C)c(nc1=O)N)COP(=O)(S[C@@H]1[C@@H](COP(=O)(S[C@@H]2[C@@H](COP(=O)(S[C@@H]3[C@@H](COP(=O)(S[C@@H]4[C@@H](CO)O[C@H]([C@@H]4OCCOC)n4cnc5c4nc(N)[nH]c5=O)[O-])O[C@H]([C@@H]3OCCOC)n3cc(C)c(nc3=O)N)[O-])O[C@H]([C@@H]2OCCOC)n2cc(C)c(nc2=O)N)[O-])O[C@H]([C@@H]1OCCOC)n1cc(C)c(=O)[nH]c1=O)[O-]"	"TZRFSLHOCZEXCC-HIVFKXHNSA-A"	""	""	""	""
"14055"	"MIPS1780"	""	"Synthetic organic"	""	""	""	""	"518520682"	"127026705"	""	""	"CHEMBL3759974"	""	""	""	""	"3-[(1S,2S)-2-hydroxycyclohexyl]-6-[2-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]pyrimidin-4-one"	""	"compound 2 [PMID: 32851779]|MIPS-1780"	"CN1C=C(C=N1)C2=CC=C(C=C2)COC3=CC=CC=C3C4=CC(=O)N(C=N4)[C@H]5CCCC[C@@H]5O"	"LLWQMJIACVELIS-DQEYMECFSA-N"	"InChI=1S/C27H28N4O3/c1-30-16-21(15-29-30)20-12-10-19(11-13-20)17-34-26-9-5-2-6-22(26)23-14-27(33)31(18-28-23)24-7-3-4-8-25(24)32/h2,5-6,9-16,18,24-25,32H,3-4,7-8,17H2,1H3/t24-,25-/m0/s1"	""	""	""
"14219"	"MIPS521"	""	"Synthetic organic"	""	""	""	""	"521588859"	"25263603"	""	""	"CHEMBL564720"	""	""	""	""	"[2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone"	""	"compound 13a [PMID: 19514747]|MIPS-521"	"C1=CC(=CC=C1C(=O)C2=C(SC=C2C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N)Cl"	"IVHJBJJHYFIUOA-UHFFFAOYSA-N"	"InChI=1S/C19H10ClF6NOS/c20-13-3-1-9(2-4-13)16(28)15-14(8-29-17(15)27)10-5-11(18(21,22)23)7-12(6-10)19(24,25)26/h1-8H,27H2"	""	""	""
"7445"	"mirabegron"	""	"Synthetic organic"	"yes"	""	""	""	"178104017"	"9865528"	""	""	"CHEMBL2095212"	""	""	""	""	"2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide"	"mirabegron"	"Betmiga&reg;|Myrbetriq&reg;|YM-178"	"O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O"	"PBAPPPCECJKMCM-IBGZPJMESA-N"	"InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1"	""	""	""
"9429"	"miransertib"	""	"Synthetic organic"	""	""	""	""	"328083529"	"53262401"	""	""	""	""	""	""	""	"3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine"	"miransertib"	"ARQ 092|ARQ-092|compound 21a [PMID: 27305487]"	"Nc1ncccc1c1nc2c(n1c1ccc(cc1)C1(N)CCC1)nc(cc2)c1ccccc1"	"HNFMVVHMKGFCMB-UHFFFAOYSA-N"	"InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)"	""	""	""
"13534"	"miravirsen"	""	"Nucleic acid"	""	""	""	""	"500839944"	"56843415"	""	""	"CHEMBL2108360"	""	""	""	""	""	"miravirsen"	"SPC-3649|SPC3649"	"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3C4C(OC3(CO4)COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6C7C(OC6(CO7)CO)N8C=CC(=NC8=O)N)N9C=CC(=NC9=O)N)N%10C=NC%11=C(N=CN=C%11%10)N)OP(=S)(O)OCC%12C(CC(O%12)N%13C=C(C(=O)NC%13=O)C)OP(=S)(O)OCC%14%15COC(C%14OP(=S)(O)OCC%16%17COC(C%16OP(=S)(O)OCC%18C(CC(O%18)N%19C=CC(=NC%19=O)N)OP(=S)(O)OCC%20C(CC(O%20)N%21C=NC%22=C(N=CN=C%22%21)N)OP(=S)(O)OCC%23%24COC(C%23OP(=S)(O)OCC%25C(CC(O%25)N%26C=NC%27=C(N=CN=C%27%26)N)OP(=S)(O)OCC%28%29COC(C%28OP(=S)(O)OCC%30C(CC(O%30)N%31C=C(C(=O)NC%31=O)C)OP(=S)(O)OCC%32%33COC(C%32OP(=S)(O)OCC%34%35COC(C%34O)C(O%35)N%36C=CC(=NC%36=O)N)C(O%33)N%37C=CC(=NC%37=O)N)C(O%29)N%38C=CC(=NC%38=O)N)C(O%24)N%39C=CC(=NC%39=O)N)C(O%17)N%40C=C(C(=O)NC%40=O)C)C(O%15)N%41C=NC%42=C%41N=C(NC%42=O)N"	"OSOOBMBDIGGTCP-UHFFFAOYSA-N"	"InChI=1S/C151H185N49O83P14S14/c1-60-26-193(140(215)182-119(60)203)87-21-66(74(258-87)34-245-290(225,304)281-110-102-130(199-58-171-94-114(161)165-55-168-117(94)199)268-150(110,44-239-102)50-252-291(226,305)272-65-20-86(187-13-6-79(153)174-134(187)209)256-72(65)33-243-286(221,300)277-105-97-125(262-144(105,37-201)38-234-97)189-15-8-81(155)176-136(189)211)271-285(220,299)241-30-73-67(22-88(257-73)194-27-61(2)120(204)183-141(194)216)273-293(228,307)253-51-151-45-240-103(131(269-151)200-59-172-95-118(200)180-132(162)181-123(95)207)111(151)283-297(232,311)254-52-149-43-238-101(129(267-149)196-29-63(4)122(206)185-143(196)218)109(149)280-289(224,303)244-32-71-64(19-85(255-71)186-12-5-78(152)173-133(186)208)270-284(219,298)242-31-76-69(24-90(260-76)197-56-169-92-112(159)163-53-166-115(92)197)275-294(229,308)249-47-147-41-236-99(127(265-147)191-17-10-83(157)178-138(191)213)107(147)279-288(223,302)247-36-77-70(25-91(261-77)198-57-170-93-113(160)164-54-167-116(93)198)276-295(230,309)250-48-146-40-235-98(126(264-146)190-16-9-82(156)177-137(190)212)106(146)278-287(222,301)246-35-75-68(23-89(259-75)195-28-62(3)121(205)184-142(195)217)274-292(227,306)251-49-148-42-237-100(128(266-148)192-18-11-84(158)179-139(192)214)108(148)282-296(231,310)248-46-145-39-233-96(104(145)202)124(263-145)188-14-7-80(154)175-135(188)210/h5-18,26-29,53-59,64-77,85-91,96-111,124-131,201-202H,19-25,30-52H2,1-4H3,(H,219,298)(H,220,299)(H,221,300)(H,222,301)(H,223,302)(H,224,303)(H,225,304)(H,226,305)(H,227,306)(H,228,307)(H,229,308)(H,230,309)(H,231,310)(H,232,311)(H2,152,173,208)(H2,153,174,209)(H2,154,175,210)(H2,155,176,211)(H2,156,177,212)(H2,157,178,213)(H2,158,179,214)(H2,159,163,166)(H2,160,164,167)(H2,161,165,168)(H,182,203,215)(H,183,204,216)(H,184,205,217)(H,185,206,218)(H3,162,180,181,207)"	""	""	""
"7935"	"mirdametinib"	""	"Synthetic organic"	"yes"	""	""	""	"249565618"	"9826528"	""	""	"CHEMBL507361"	""	""	""	""	"N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide"	"mirdametinib"	"Ezmekly&reg;|Gomekli&reg;|PD 0325901|PD-0325901|PD0325901"	"OC[C@H](CONC(=O)c1ccc(c(c1Nc1ccc(cc1F)I)F)F)O"	"SUDAHWBOROXANE-SECBINFHSA-N"	"InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1"	""	""	""
"10059"	"miricorilant"	""	"Synthetic organic"	""	""	""	""	"375973247"	"66550324"	""	""	""	""	""	""	""	"6-(trans-4-phenylcyclohexyl)-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine-2,4(1H,3H)-dione"	"miricorilant"	"C-118335|C118335|compound 7 [PMID: 23131342]|CORT118335"	"O=c1[nH]c(=O)c(c([nH]1)[C@@H]1CC[C@H](CC1)c1ccccc1)Cc1cccc(c1)C(F)(F)F"	"GVVUZBSCYAVFTI-IYARVYRRSA-N"	"InChI=1S/C24H23F3N2O2/c25-24(26,27)19-8-4-5-15(13-19)14-20-21(28-23(31)29-22(20)30)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-8,13,17-18H,9-12,14H2,(H2,28,29,30,31)/t17-,18-"	""	""	""
"8256"	"miridesap"	""	"Synthetic organic"	""	""	""	""	"249565936"	"125516"	""	""	"CHEMBL25263"	""	""	""	""	"(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylic acid"	"miridesap"	"compound 52 [PMID 14998318]|CPHPC|GSK2315698|Ro 63-8695"	"OC(=O)[C@H]1CCCN1C(=O)CCCCC(=O)N1CCC[C@@H]1C(=O)O"	"HZLAWYIBLZNRFZ-VXGBXAGGSA-N"	"InChI=1S/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/t11-,12-/m1/s1"	""	""	""
"9846"	"mirikizumab"	""	"Antibody"	"yes"	""	""	""	"363894140"	"0"	""	""	""	""	""	""	""	""	"mirikizumab"	"Antibody I [US9023358]|LY-3074828|LY3074828|mirikizumab-mrkz|Omvoh&reg;"	""	""	""	"yes"	""	""
"11738"	"mirodenafil"	""	"Synthetic organic"	"yes"	""	""	""	"458923773"	"135497803"	""	""	"CHEMBL4297518"	""	""	""	""	"5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-7-propyl-3H-pyrrolo[3,2-d]pyrimidin-4-one"	"mirodenafil"	"AR-1001|AR1001|Mvix&reg;|SK-3530|SK3530"	"CCCc1cn(c2c1nc([nH]c2=O)c1c(ccc(c1)S(=O)(=O)N1CCN(CC1)CCO)OCCC)CC"	"MIJFNYMSCFYZNY-UHFFFAOYSA-N"	"InChI=1S/C26H37N5O5S/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32/h8-9,17-18,32H,4-7,10-16H2,1-3H3,(H,27,28,33)"	""	""	""
"8303"	"mirogabalin"	""	"Synthetic organic"	"yes"	""	""	""	"252166515"	"59509752"	""	""	""	""	""	""	""	"2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid"	"mirogabalin"	"DS-5565|DS5565"	"CCC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(=O)O"	"FTBQORVNHOIASH-CKYFFXLPSA-N"	"InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1"	""	""	""
"7241"	"mirtazapine"	""	"Synthetic organic"	"yes"	""	""	""	"178103815"	"4205"	""	""	"CHEMBL654"	""	""	""	""	""	"mirtazapine"	"ORG-3770|Remeron&reg;"	"CN1CCN2C(C1)c1ccccc1Cc1c2nccc1"	"RONZAEMNMFQXRA-UHFFFAOYSA-N"	"InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3"	""	""	""
"12250"	"mirvetuximab soravtansine"	""	"Antibody"	"yes"	""	""	""	"473153838"	"0"	""	""	""	""	""	""	""	""	"mirvetuximab soravtansine"	"Elahere&reg;|IMGN-853|IMGN853|M9346A-sulfo-SPDB-DM4|mirvetuximab soravtansine-gynx"	""	""	""	""	""	""
"1935"	"misoprostol (free acid form)"	""	"Synthetic organic"	""	""	""	""	"135650610"	"6436406"	""	""	"CHEMBL1201377"	""	""	""	""	"7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid"	"misoprostol"	"misoprostol acid|SC 30695"	"CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)(O)C"	"CNWGPXZGIIOYDL-MKYGPDKMSA-N"	"InChI=1S/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/t16-,17-,19-,21?/m1/s1"	""	""	""
"1936"	"misoprostol (methyl ester)"	""	"Synthetic organic"	"yes"	""	""	""	"135650611"	"5282381"	""	""	"CHEMBL606"	""	""	""	""	"methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate"	"misoprostol"	"Arthrotec&reg;|BRN 4155643|CCRIS 6859|Cytotec&reg;|HSDB 3573|SC 29333"	"CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C"	"OJLOPKGSLYJEMD-URPKTTJQSA-N"	"InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22?/m1/s1"	""	""	""
"1865"	"MIT1"	""	"Peptide"	""	""	""	""	"135652290"	"0"	"P25687"	""	""	""	""	""	""	""	""	"mamba intestinal toxin-1"	""	""	""	""	""	""
"10473"	"mitapivat"	""	"Synthetic organic"	"yes"	""	""	""	"385612232"	"59634741"	""	""	""	""	""	""	""	""	"mitapivat"	"AG-348|AG348|compound 80a [WO2011002817A1]|PKM2 activator 1020|PKR-IN-1|Pyrukynd&reg;"	"O=C(c1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2)N1CCN(CC1)CC1CC1"	"XAYGBKHKBBXDAK-UHFFFAOYSA-N"	"InChI=1S/C24H26N4O3S/c29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22/h1-5,8-12,18,26H,6-7,13-17H2"	""	""	""
"13692"	"mitazalimab"	""	"Antibody"	""	""	""	""	"507750326"	"0"	""	""	""	""	""	""	""	""	"mitazalimab"	"ADC-1013|ADC1013|JNJ-64457107|JNJ64457107"	""	""	""	""	""	""
"3511"	"mitemcinal"	""	"Synthetic organic"	""	""	""	""	"178100497"	"177964"	""	""	"CHEMBL1778156"	""	""	""	""	"(1S,2R,3S,4S,5R,8R,9R,11S)-8-ethyl-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methyl-propan-2-ylamino)oxan-2-yl]oxy-9-methoxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-ene-6,10-dione"	"mitemcinal"	"GM-611|GM611"	"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H](C(=O)[C@]1(C)OC)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C(C)C)C"	"BELMMAAWNYFCGF-AQBNEDITSA-N"	"InChI=1S/C40H69NO12/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3/t22-,23+,24+,25-,26+,27+,28-,29+,30-,32+,34+,35-,37+,38-,39+,40-/m1/s1"	""	""	""
"8394"	"mithramycin"	""	"Natural product"	"yes"	"yes"	""	""	"252166605"	"163659"	""	""	""	""	""	""	""	"(2S,3S)-2-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4-[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one"	"plicamycin"	"aureolic acid|Mithracin&reg;|mithramycin A|MMA"	"CO[C@@H]([C@@H]1Cc2cc3cc(O[C@@H]4O[C@H](C)[C@H]([C@@H](C4)O[C@H]4C[C@@H](O)[C@@H]([C@H](O4)C)O)O)c(c(c3c(c2C(=O)[C@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H](C1)O[C@@H]1O[C@H](C)[C@@H]([C@@H](C1)O[C@@H]1O[C@H](C)[C@H]([C@@](C1)(C)O)O)O)O)O)O)C)C(=O)[C@H]([C@H](O)C)O"	"CFCUWKMKBJTWLW-BKHRDMLASA-N"	"InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1"	""	""	""
"12154"	"mitiperstat"	""	"Synthetic organic"	""	""	""	""	"472319276"	"121362450"	""	""	""	""	""	""	""	"1-[[2-[(1R)-1-aminoethyl]-4-chlorophenyl]methyl]-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one"	"mitiperstat"	"AZD-4831|AZD4831|compound 16 [PMID: 36005476]"	"C[C@H](c1c(ccc(c1)Cl)Cn1c2c(c(=O)[nH]c1=S)[nH]cc2)N"	"BHKKSKOHRFHHIN-MRVPVSSYSA-N"	"InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1"	""	""	""
"14142"	"mitochondrial peptde fMMYALF"	""	"Peptide"	""	""	""	""	"518520769"	"0"	"P23631"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14144"	"mitochondrial peptide fMFADRW"	""	"Peptide"	""	""	""	""	"518520771"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11303"	"mitoglitazone"	""	"Synthetic organic"	""	""	""	""	"434321738"	"10429242"	""	""	"CHEMBL146624"	""	""	""	""	"5-[[4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione"	""	"MSDC-0160|MSDC0160"	"CCc1ccc(nc1)C(=O)COc1ccc(cc1)CC1SC(=O)NC1=O"	"IRNJSRAGRIZIHD-UHFFFAOYSA-N"	"InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)"	""	""	""
"7089"	"mitomycin C"	""	"Natural product"	"yes"	""	""	""	"178103667"	"5746"	""	""	"CHEMBL105"	""	""	""	""	""	"mitomycin"	"Mitosol&reg;|NSC-26980"	"CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@H]1COC(=N)O)C(=O)C(=C(C2=O)C)N"	"NWIBSHFKIJFRCO-WUDYKRTCSA-N"	"InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1"	""	""	""
"6957"	"mitotane"	""	"Synthetic organic"	"yes"	""	""	""	"178103539"	"4211"	""	""	"CHEMBL1670"	""	""	""	""	"1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene"	"mitotane"	"CB-313|Lysodren&reg;"	"ClC(C(c1ccccc1Cl)c1ccc(cc1)Cl)Cl"	"JWBOIMRXGHLCPP-UHFFFAOYSA-N"	"InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H"	""	""	""
"7242"	"mitoxantrone"	""	"Synthetic organic"	"yes"	""	""	""	"178103816"	"4212"	""	""	"CHEMBL58"	""	""	""	""	"1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione"	"mitoxantrone"	"CL-232315|Novantrone&reg;"	"OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO"	"KKZJGLLVHKMTCM-UHFFFAOYSA-N"	"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2"	""	""	""
"13149"	"mitragynine"	""	"Natural product"	""	""	""	""	"491299931"	"3034396"	""	""	"CHEMBL299031"	""	""	""	""	"methyl (E)-2-[(2S,3S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate"	""	"(-)-Mitragynine"	"CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC"	"LELBFTMXCIIKKX-QVRQZEMUSA-N"	"InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1"	""	""	""
"14359"	"mitucapistat"	""	"Synthetic organic"	""	""	""	""	"523352151"	"6857712"	""	""	"CHEMBL475920"	""	""	""	""	"2-(2-methoxyethoxy)ethyl N-[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate"	"mitucapistat"	"compound 18Bd [PMID: 15921914]|compound 2 [PMID: 18789863]|SJP-0008|SNJ-1945|SNJ1945"	"CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(=O)NC2CC2)NC(=O)OCCOCCOC"	"PMEQLUMDXFJNRY-SFTDATJTSA-N"	"InChI=1S/C25H37N3O7/c1-17(2)15-21(28-25(32)35-14-13-34-12-11-33-3)23(30)27-20(16-18-7-5-4-6-8-18)22(29)24(31)26-19-9-10-19/h4-8,17,19-21H,9-16H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)/t20-,21-/m0/s1"	""	""	""
"7981"	"mitumomab"	""	"Antibody"	""	""	""	""	"249565663"	"0"	""	""	""	""	""	""	""	""	"mitumomab"	"monoclonal antibody BEC2"	""	""	""	""	""	""
"7243"	"mivacurium"	""	"Synthetic organic"	"yes"	""	""	""	"178103817"	"5281042"	""	""	"CHEMBL1182833"	""	""	""	""	"(1R)-2-(3-{[(4E)-8-{3-[(1R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propoxy}-8-oxooct-4-enoyl]oxy}propyl)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium"	"mivacurium chloride"	"BWB109OU|Mivacron&reg;"	"COc1cc2c(cc1OC)CC[N+]([C@@H]2Cc1cc(OC)c(c(c1)OC)OC)(C)CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc2c([C@H]1Cc1cc(OC)c(c(c1)OC)OC)cc(c(c2)OC)OC"	"ILVYCEVXHALBSC-OTBYEXOQSA-N"	"InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59?,60?/m1/s1"	""	""	""
"9600"	"mivavotinib"	""	"Synthetic organic"	""	""	""	""	"340590230"	"53252276"	""	""	""	""	""	""	""	"6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one"	"mivavotinib"	"compound 3b [PMID: 27839918]|TAK-659|TAK659"	"N[C@H]1CCCC[C@H]1Nc1nc(c2cnn(c2)C)c2c(c1F)CNC2=O"	"MJHOMTRKVMKCNE-NWDGAFQWSA-N"	"InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1"	"yes"	""	""
"9117"	"mivebresib"	""	"Synthetic organic"	""	""	""	""	"315661202"	"71600087"	""	""	""	""	""	""	""	"N-(4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl)ethanesulfonamide"	"mivebresib"	"ABBV-075|ABBV075|Example 36 [WO2013097601]"	"CCS(=O)(=O)Nc1ccc(c(c1)c1cn(C)c(=O)c2c1cc[nH]2)Oc1ccc(cc1F)F"	"RDONXGFGWSSFMY-UHFFFAOYSA-N"	"InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3"	""	""	""
"9547"	"mizagliflozin"	""	"Synthetic organic"	""	""	""	""	"336446933"	"10460535"	""	""	""	""	""	""	""	"2,2-dimethyl-3-[3-[3-methyl-4-[[3-propan-2-yl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-pyrazol-4-yl]methyl]phenoxy]propylamino]propanamide"	"mizagliflozin"	"DSP-3235|KWA 0711|KWA-0711|KWA0711"	"OC[C@H]1O[C@@H](Oc2n[nH]c(c2Cc2ccc(cc2C)OCCCNCC(C(=O)N)(C)C)C(C)C)[C@@H]([C@H]([C@@H]1O)O)O"	"LREHMKLEOJAVMQ-TXKDOCKMSA-N"	"InChI=1S/C28H44N4O8/c1-15(2)21-19(25(32-31-21)40-26-24(36)23(35)22(34)20(13-33)39-26)12-17-7-8-18(11-16(17)3)38-10-6-9-30-14-28(4,5)27(29)37/h7-8,11,15,20,22-24,26,30,33-36H,6,9-10,12-14H2,1-5H3,(H2,29,37)(H,31,32)/t20-,22-,23+,24-,26+/m1/s1"	""	""	""
"10102"	"mizolastine"	""	"Synthetic organic"	"yes"	""	""	""	"381118812"	"65906"	""	""	"CHEMBL94454"	""	""	""	""	""	"mizolastine"	"Mizollen&reg;|MKC-431|MKC431|SL 85.0324|SL-850324|SL850324"	"Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C"	"PVLJETXTTWAYEW-UHFFFAOYSA-N"	"InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)"	"yes"	""	""
"10028"	"MJN110"	""	"Synthetic organic"	""	""	""	""	"375973216"	"71722059"	""	""	""	""	""	""	""	"(2,5-dioxopyrrolidin-1-yl) 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate"	""	"MJN 110|MJN-110"	"O=C(N1CCN(CC1)C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)ON1C(=O)CCC1=O"	"BEADRWVIFHOSGN-UHFFFAOYSA-N"	"InChI=1S/C22H21Cl2N3O4/c23-17-5-1-15(2-6-17)21(16-3-7-18(24)8-4-16)25-11-13-26(14-12-25)22(30)31-27-19(28)9-10-20(27)29/h1-8,21H,9-14H2"	""	""	""
"8515"	"MJN228"	""	"Synthetic organic"	""	""	""	""	"252166718"	"22660592"	""	""	""	""	""	""	""	"(4-methylpiperazin-1-yl)-(5-nitro-3-phenyl-1H-indol-2-yl)methanone"	""	""	"CN1CCN(CC1)C(=O)c1[nH]c2c(c1c1ccccc1)cc(cc2)[N+](=O)[O-]"	"BLSWPPPBUQFKHH-UHFFFAOYSA-N"	"InChI=1S/C20H20N4O3/c1-22-9-11-23(12-10-22)20(25)19-18(14-5-3-2-4-6-14)16-13-15(24(26)27)7-8-17(16)21-19/h2-8,13,21H,9-12H2,1H3"	""	""	""
"12111"	"MK-0159"	""	"Synthetic organic"	""	""	""	""	"472319233"	"156339417"	""	""	""	""	""	""	""	"N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide"	""	"compound 37 [PMID: 35762533]|MK0159"	"O=C(c1c2c([nH]cc2)nc(c2cncs2)c1)N[C@H]1CC[C@H](OCCOC)CC1"	"JUVJFMVGYBBDKN-HDJSIYSDSA-N"	"InChI=1S/C20H24N4O3S/c1-26-8-9-27-14-4-2-13(3-5-14)23-20(25)16-10-17(18-11-21-12-28-18)24-19-15(16)6-7-22-19/h6-7,10-14H,2-5,8-9H2,1H3,(H,22,24)(H,23,25)/t13-,14-"	""	""	""
"7346"	"MK-0249"	""	"Synthetic organic"	""	""	""	""	"178103918"	"11697697"	""	""	"CHEMBL476323"	""	""	""	""	"2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-one"	""	"MK 0249|MK0249"	"Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F"	"DDDZBLNULGDPGA-UHFFFAOYSA-N"	"InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3"	""	""	""
"5784"	"MK 0354"	""	"Synthetic organic"	""	""	""	""	"178102409"	"11159621"	""	""	"CHEMBL456145"	""	""	""	""	"3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole"	""	"MK-0354"	"n1[nH]nc(n1)c1n[nH]c2c1CCC2"	"LTQYSJKGRPGMPO-UHFFFAOYSA-N"	"InChI=1S/C7H8N6/c1-2-4-5(3-1)8-9-6(4)7-10-12-13-11-7/h1-3H2,(H,8,9)(H,10,11,12,13)"	""	""	""
"9852"	"MK-0359"	""	"Synthetic organic"	""	""	""	""	"363894146"	"9853498"	""	""	"CHEMBL372575"	""	""	""	""	"3-methyl-5-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,2,4-oxadiazole"	""	"L-454,560|L-454560|MK0359"	"Cc1noc(n1)/C(=C/c1cccc(c1)c1cc(cc2c1nccc2)C(S(=O)(=O)C)(C)C)/c1ccc(cc1)S(=O)(=O)C"	"YYGZHVJDHMMABU-OGLMXYFKSA-N"	"InChI=1S/C31H29N3O5S2/c1-20-33-30(39-34-20)28(22-11-13-26(14-12-22)40(4,35)36)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,37)38)18-24-10-7-15-32-29(24)27/h6-19H,1-5H3/b28-17+"	"yes"	""	""
"9689"	"MK-0429"	""	"Synthetic organic"	""	""	""	""	"348353648"	"9853559"	""	""	"CHEMBL145085"	""	""	""	""	"(3S)-3-(6-methoxypyridin-3-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid"	""	"compound 6 [PMID:14561098]|MK-429|MK0429"	"COc1ccc(cn1)[C@@H](N1CCN(C1=O)CCCc1ccc2c(n1)NCCC2)CC(=O)O"	"HGFOOLONGOBCMP-IBGZPJMESA-N"	"InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1"	""	""	""
"11360"	"MK-0752"	""	"Synthetic organic"	""	""	""	""	"440816729"	"9803433"	""	""	"CHEMBL4205422"	""	""	""	""	"3-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]propanoic acid"	""	"MK0752"	"OC(=O)CCC1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)Cl"	"XCGJIFAKUZNNOR-UHFFFAOYSA-N"	"InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)"	""	""	""
"2677"	"MK-0767"	""	"Synthetic organic"	""	""	""	""	"135650612"	"151183"	""	""	"CHEMBL24458"	""	""	""	""	"5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide"	""	"KRP 297|KRP-297|MK 767|MK-767"	"COc1ccc(cc1C(=O)NCc1ccc(cc1)C(F)(F)F)CC1SC(=O)NC1=O"	"NFFXEUUOMTXWCX-UHFFFAOYSA-N"	"InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,16H,9-10H2,1H3,(H,24,26)(H,25,27,28)"	""	""	""
"9048"	"MK-0812"	""	"Synthetic organic"	""	""	""	""	"315661133"	"11180808"	""	""	"CHEMBL3305901"	""	""	""	""	"[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone"	""	"MK0812"	"CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F"	"MTMDXAIUENDNDL-RJSMDTJLSA-N"	"InChI=1S/C24H34F3N3O3/c1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27/h10,12,15,18,20-21,29H,4-9,11,13-14H2,1-3H3/t18-,20+,21-,23+/m1/s1"	"yes"	""	""
"9853"	"MK-0873"	""	"Synthetic organic"	""	""	""	""	"363894147"	"9919680"	""	""	"CHEMBL485629"	""	""	""	""	"N-cyclopropyl-1-[3-[2-(1-oxidopyridin-1-ium-3-yl)ethynyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide"	""	"compound 20 [PMID: 18835163]|MK0873"	"[O-][n+]1cccc(c1)C#Cc1cccc(c1)n1cc(C(=O)NC2CC2)c(=O)c2c1nccc2"	"JJWKQXNHYDJXKF-UHFFFAOYSA-N"	"InChI=1S/C25H18N4O3/c30-23-21-7-2-12-26-24(21)29(16-22(23)25(31)27-19-10-11-19)20-6-1-4-17(14-20)8-9-18-5-3-13-28(32)15-18/h1-7,12-16,19H,10-11H2,(H,27,31)"	"yes"	""	""
"9135"	"MK-0893"	""	"Synthetic organic"	""	""	""	""	"315661220"	"11570626"	""	""	"CHEMBL1933349"	""	""	""	""	"3-[[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid"	""	"compound 9m [PMID: 22708876]|MK 0893|MK-0893-005|MK0893|N-[(4-{(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl]ethyl}phenyl)carbonyl]-&beta;-alanine"	"COc1ccc2c(c1)ccc(c2)c1cc(nn1[C@H](c1ccc(cc1)C(=O)NCCC(=O)O)C)c1cc(Cl)cc(c1)Cl"	"DNTVJEMGHBIUMW-IBGZPJMESA-N"	"InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1"	""	""	""
"9306"	"MK-1064"	""	"Synthetic organic"	""	""	""	""	"318164825"	"44633765"	""	""	"CHEMBL3338866"	""	""	""	""	"5-(5-chloropyridin-3-yl)-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide"	""	""	"COc1nc(CNC(=O)c2cc(cnc2c2ccccn2)c2cncc(c2)Cl)ccc1OC"	"CKTWQGHVNRYNCM-UHFFFAOYSA-N"	"InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31)"	""	""	""
"5785"	"MK 1903"	""	"Synthetic organic"	""	""	""	""	"178102410"	"11607970"	""	""	"CHEMBL2059221"	""	""	""	""	""	""	""	"OC(=O)c1n[nH]c2c1CC1C2C1"	"CUTZNERBKDMLAP-UHFFFAOYSA-N"	"InChI=1S/C8H8N2O2/c11-8(12)7-5-2-3-1-4(3)6(5)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)"	""	""	""
"14311"	"MK-2118"	""	"Synthetic organic"	""	""	""	""	"523352103"	"134391948"	""	""	"CHEMBL4570444"	""	""	""	""	"(2S)-4-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-4-oxobutanoic acid"	""	"example 11 [US10730849B2]|MK2118"	"C[C@@H](CC(=O)C1=CC2=CC(=C(C=C2S1)OC)OC)C(=O)O"	"WBHPMBQELUEIIV-QMMMGPOBSA-N"	"InChI=1S/C15H16O5S/c1-8(15(17)18)4-10(16)14-6-9-5-11(19-2)12(20-3)7-13(9)21-14/h5-8H,4H2,1-3H3,(H,17,18)/t8-/m0/s1"	"yes"	""	""
"165"	"MK-212"	""	"Synthetic organic"	""	""	""	""	"135650614"	"107992"	""	""	"CHEMBL269521"	""	""	""	""	"2-chloro-6-piperazin-1-ylpyrazine"	""	"MK 212"	"Clc1cncc(n1)N1CCNCC1"	"CJAWPFJGFFNXQI-UHFFFAOYSA-N"	"InChI=1S/C8H11ClN4/c9-7-5-11-6-8(12-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2"	""	""	""
"7945"	"MK-2206"	""	"Synthetic organic"	""	""	""	""	"249565628"	"24964624"	""	""	"CHEMBL1079175"	""	""	""	""	"8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one"	""	"MK 2206"	"O=c1[nH]nc2n1ccc1c2cc(c(n1)c1ccc(cc1)C1(N)CCC1)c1ccccc1"	"ULDXWLCXEDXJGE-UHFFFAOYSA-N"	"InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)"	""	""	""
"7962"	"MK-2461"	""	"Synthetic organic"	""	""	""	""	"249565645"	"44137946"	""	""	"CHEMBL1822792"	""	""	""	""	"9-[[[(2R)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]amino]-2-(1-methylpyrazol-4-yl)-11-oxobenzo[1,2]cyclohepta[2,4-b]pyridine"	""	"MK 2461"	"Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)NS(=O)(=O)N(C[C@@H]1COCCO1)C"	"JGEBLDKNWBUGRZ-HXUWFJFHSA-N"	"InChI=1S/C24H25N5O5S/c1-28-13-18(12-26-28)17-9-22-23(25-11-17)6-4-16-3-5-19(10-21(16)24(22)30)27-35(31,32)29(2)14-20-15-33-7-8-34-20/h3-6,9-13,20,27H,7-8,14-15H2,1-2H3/t20-/m1/s1"	""	""	""
"4041"	"MK-2894"	""	"Synthetic organic"	""	""	""	""	"178100865"	"24952929"	""	""	"CHEMBL597997"	""	""	""	""	"4-[1-[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoic acid"	""	"MK 2894|MK2894"	"OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C"	"QJZQFVRFJCGDKF-UHFFFAOYSA-N"	"InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)"	""	""	""
"6009"	"MK2a inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102631"	"11382492"	""	""	"CHEMBL235658"	""	""	""	""	"4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide"	""	"CMPD1|MAPKAPK2a inhibitor"	"O=C(Nc1ccc(cc1)O)CCCc1ccc(cc1)c1ccccc1F"	"ODYAQBDIXCVKAE-UHFFFAOYSA-N"	"InChI=1S/C22H20FNO2/c23-21-6-2-1-5-20(21)17-10-8-16(9-11-17)4-3-7-22(26)24-18-12-14-19(25)15-13-18/h1-2,5-6,8-15,25H,3-4,7H2,(H,24,26)"	""	""	""
"9307"	"MK-3697"	""	"Synthetic organic"	""	""	""	""	"318164826"	"46190695"	""	""	"CHEMBL3338865"	""	""	""	""	"N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-(5-methylpyridin-3-yl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide"	""	"compound 24 [PMID: 25248679]"	"COc1nc(CNC(=O)c2cc(ncc2c2nccs2)c2cncc(c2)C)ccc1OC"	"VSOUDUXMPUHJEU-UHFFFAOYSA-N"	"InChI=1S/C23H21N5O3S/c1-14-8-15(11-24-10-14)19-9-17(18(13-26-19)23-25-6-7-32-23)21(29)27-12-16-4-5-20(30-2)22(28-16)31-3/h4-11,13H,12H2,1-3H3,(H,27,29)"	""	""	""
"10114"	"MK-4256"	""	"Synthetic organic"	""	""	""	""	"381118824"	"56927659"	""	""	""	""	""	""	""	"3-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole"	""	"MK 4256|MK4256"	"Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C"	"NTIFDLOQPKMIJK-AJTFRIOCSA-N"	"InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27-/m1/s1"	""	""	""
"10410"	"MK-4815"	""	"Synthetic organic"	""	""	""	""	"385612171"	"10354063"	""	""	"CHEMBL1191888"	""	""	""	""	"2-(aminomethyl)-3,5-ditert-butylphenol"	""	"MK4815"	"NCc1c(O)cc(cc1C(C)(C)C)C(C)(C)C"	"ZUSLEOOZAITYGH-UHFFFAOYSA-N"	"InChI=1S/C15H25NO/c1-14(2,3)10-7-12(15(4,5)6)11(9-16)13(17)8-10/h7-8,17H,9,16H2,1-6H3"	""	"yes"	""
"2607"	"MK-499"	""	"Synthetic organic"	""	""	""	""	"53801034"	"9934294"	""	""	"CHEMBL477015"	""	""	""	""	"N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-4-hydroxyspiro[chroman-2,4'-piperidine]-6-yl]methanesulfonamide"	""	"L 706000|MK 499|MK499"	"N#Cc1ccc2c(c1)CC[C@H](C2)N1CCC2(CC1)C[C@@H](O)c1c(O2)ccc(c1)NS(=O)(=O)C"	"NIYGLRKUBPNXQS-FYYLOGMGSA-N"	"InChI=1S/C25H29N3O4S/c1-33(30,31)27-20-5-7-24-22(14-20)23(29)15-25(32-24)8-10-28(11-9-25)21-6-4-18-12-17(16-26)2-3-19(18)13-21/h2-3,5,7,12,14,21,23,27,29H,4,6,8-11,13,15H2,1H3/t21-,23-/m1/s1"	""	""	""
"6170"	"MK-5046"	""	"Synthetic organic"	""	""	""	""	"178102791"	"49871766"	""	""	"CHEMBL1672354"	""	""	""	""	"(2S)-1,1,1-trifluoro-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol"	""	"MK 5046|MK5046"	"FC([C@@](c1ccc(cc1)n1cccn1)(Cc1ncc([nH]1)CC1(CC1)C(F)(F)F)O)(F)F"	"UJINBEQCDMOAHM-SFHVURJKSA-N"	"InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1"	""	""	""
"8061"	"MK-5108"	""	"Synthetic organic"	""	""	""	""	"249565741"	"24748204"	""	""	"CHEMBL3182444"	""	""	""	""	"4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid"	""	"MK5108|VX-689|VX689"	"OC(=O)C1(CCC(CC1)Oc1cccc(c1F)Cl)Cc1cccc(n1)Nc1nccs1"	"LCVIRAZGMYMNNT-UHFFFAOYSA-N"	"InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)"	""	""	""
"6335"	"MK-5435"	""	"Synthetic organic"	""	""	""	""	"178102953"	"15985251"	""	""	"CHEMBL579062"	""	""	""	""	"5-[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-2-propan-2-yl-3H-isoindol-1-one"	""	""	"Fc1ccc(c(c1)F)n1nnc(c1C)c1ccc2c(c1)CN(C2=O)C(C)C"	"KKZVYGIANGOHBS-UHFFFAOYSA-N"	"InChI=1S/C20H18F2N4O/c1-11(2)25-10-14-8-13(4-6-16(14)20(25)27)19-12(3)26(24-23-19)18-7-5-15(21)9-17(18)22/h4-9,11H,10H2,1-3H3"	""	""	""
"10346"	"MK-571"	""	"Synthetic organic"	""	""	""	""	"381745027"	"5281888"	""	""	"CHEMBL15177"	""	""	""	""	"3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-(3-dimethylamino-3-oxopropyl)sulfanylmethyl]sulfanylpropanoic acid"	""	"MK 571|MK-0571|MK571"	"OC(=O)CCSC(c1cccc(c1)/C=C/c1ccc2c(n1)cc(cc2)Cl)SCCC(=O)N(C)C"	"AXUZQJFHDNNPFG-UXBLZVDNSA-N"	"InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+"	""	""	""
"9783"	"MK6-83"	""	"Synthetic organic"	""	""	""	""	"354702256"	"18191179"	""	""	""	""	""	""	""	"5-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-sulfonamide"	""	""	"Cc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCCCC1"	"IRGYSXZCDAWOOC-UHFFFAOYSA-N"	"InChI=1S/C16H20N2O2S2/c1-13-9-10-16(21-13)22(19,20)17-14-7-3-4-8-15(14)18-11-5-2-6-12-18/h3-4,7-10,17H,2,5-6,11-12H2,1H3"	""	""	""
"14057"	"MK-6884"	""	"Synthetic organic"	""	""	""	""	"518520684"	"129285824"	""	""	""	""	""	""	""	"5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(2-methyl-3-oxo-1H-isoindol-5-yl)pyridine-2-carbonitrile"	""	"MK6884"	"CC1(CCCC1)CN2C=C(C=N2)C3=C(N=C(C=C3)C#N)C4=CC5=C(CN(C5=O)C)C=C4"	"PREPVVXBTJBVOZ-UHFFFAOYSA-N"	"InChI=1S/C25H25N5O/c1-25(9-3-4-10-25)16-30-15-19(13-27-30)21-8-7-20(12-26)28-23(21)17-5-6-18-14-29(2)24(31)22(18)11-17/h5-8,11,13,15H,3-4,9-10,14,16H2,1-2H3"	""	""	""
"5788"	"MK 6892"	""	"Synthetic organic"	""	""	""	""	"178102413"	"73755154"	""	""	"CHEMBL1086657"	""	""	""	""	"2-[[3-[3-(5-hydroxy-1,2-dihydropyridin-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanoyl]amino]cyclohexene-1-carboxylic acid"	""	"MK-6892"	"Oc1ccc(nc1)c1noc(n1)CC(C(=O)NC1=C(CCCC1)C(=O)O)(C)C"	"CJHXBFSJXDUJHP-UHFFFAOYSA-N"	"InChI=1S/C19H22N4O5/c1-19(2,18(27)21-13-6-4-3-5-12(13)17(25)26)9-15-22-16(23-28-15)14-8-7-11(24)10-20-14/h7-8,10,24H,3-6,9H2,1-2H3,(H,21,27)(H,25,26)"	""	""	""
"11395"	"MK-7110"	""	"Peptide"	""	""	""	""	"440816764"	"0"	""	""	""	""	""	""	""	""	""	"CD24-Fc|CD24Fc"	""	""	""	"yes"	""	""
"10382"	"MK-7145"	""	"Synthetic organic"	""	""	""	""	"384403661"	"59568713"	""	""	"CHEMBL3696475"	""	""	""	""	"5-[(1R)-1-hydroxy-2-[4-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one"	""	"example 2A [WO2010129379]|MK7145"	"O[C@H](c1ccc2c(c1C)COC2=O)CN1CCN(CC1)C[C@@H](c1ccc2c(c1C)COC2=O)O"	"OCKGFTQIICXDQW-ZEQRLZLVSA-N"	"InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1"	""	""	""
"14213"	"MK-7337"	""	"Synthetic organic"	""	""	""	""	"521588853"	"176087053"	""	""	""	""	""	""	""	"5-[(E)-2-(6-imidazol-1-ylpyridin-3-yl)ethenyl]-2-[(3R)-3-(methoxymethyl)-4-pyrimidin-2-ylpiperazin-1-yl]pyrimidine"	""	"example 2 [WO2024186584]|MK7337"	"COC[C@H]1CN(CCN1C2=NC=CC=N2)C3=NC=C(C=N3)/C=C/C4=CN=C(C=C4)N5C=CN=C5"	"DKENPNMYMQOFSZ-YEFOHOTDSA-N"	"InChI=1S/C24H25N9O/c1-34-17-21-16-31(11-12-33(21)24-26-7-2-8-27-24)23-29-14-20(15-30-23)4-3-19-5-6-22(28-13-19)32-10-9-25-18-32/h2-10,13-15,18,21H,11-12,16-17H2,1H3/b4-3+/t21-/m1/s1"	""	""	""
"10712"	"MK-7622"	""	"Synthetic organic"	""	""	""	""	"404859159"	"46207733"	""	""	"CHEMBL4078588"	""	""	""	""	"3-[(1S,2S)-2-hydroxycyclohexyl]-6-[(6-methylpyridin-3-yl)methyl]benzo[h]quinazolin-4-one"	""	"MK7622"	"O[C@H]1CCCC[C@@H]1n1cnc2c(c1=O)cc(c1c2cccc1)Cc1ccc(nc1)C"	"JUVQLZBJFOGEEO-GOTSBHOMSA-N"	"InChI=1S/C25H25N3O2/c1-16-10-11-17(14-26-16)12-18-13-21-24(20-7-3-2-6-19(18)20)27-15-28(25(21)30)22-8-4-5-9-23(22)29/h2-3,6-7,10-11,13-15,22-23,29H,4-5,8-9,12H2,1H3/t22-,23-/m0/s1"	""	""	""
"8502"	"MK-7725"	""	"Synthetic organic"	""	""	""	""	"252166710"	"46200989"	""	""	"CHEMBL2023109"	""	""	""	""	"2-[3-[6-[4-(trifluoromethoxy)phenyl]sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-7-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol"	""	"MK7725"	"FC(Oc1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2c1c(ccc2)c1noc(n1)C(O)(C)C)C(F)(F)F)(F)F"	"WQQNCCUPGPFWOI-UHFFFAOYSA-N"	"InChI=1S/C25H19F6N5O5S/c1-23(2,37)22-34-21(35-41-22)16-4-3-5-17-19(16)36(12-13-6-11-18(24(26,27)28)33-20(13)32-17)42(38,39)15-9-7-14(8-10-15)40-25(29,30)31/h3-11,37H,12H2,1-2H3,(H,32,33)"	""	""	""
"13542"	"MK-7762"	""	"Synthetic organic"	""	""	""	""	"500839952"	"156857753"	""	""	""	""	""	""	""	"methyl N-{[(5S)-3-[4-(1,1-dioxo-1&lambda;<sup>6</sup>-thiomorpholin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl}carbamate"	""	"MK7762|TBD09"	"O=C1N(C[C@H](CNC(OC)=O)O1)C2=CC(F)=C(C(F)=C2)N3CCS(=O)(=O)CC3"	"CCYKSCLMFZLAJH-NSHDSACASA-N"	"InChI=1S/C16H19F2N3O6S/c1-26-15(22)19-8-11-9-21(16(23)27-11)10-6-12(17)14(13(18)7-10)20-2-4-28(24,25)5-3-20/h6-7,11H,2-5,8-9H2,1H3,(H,19,22)/t11-/m0/s1"	""	""	"yes"
"13173"	"MK-7845"	""	"Synthetic organic"	""	""	""	""	"491299955"	"168976112"	""	""	""	""	""	""	""	"methyl N-[(2S)-1-[(3S,3aS,6aR)-3-[[(3S)-6,6-difluoro-1-(methylamino)-1,2-dioxoheptan-3-yl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate"	""	"compound 27 [PMID: 38365209]|MK7845"	"N1(C(=O)[C@@H](NC(=O)OC)C(C)(C)C)[C@H](C(=O)N[C@H](C(C(=O)NC)=O)CCC(F)(F)C)[C@@H]2[C@@H](CCC2)C1"	"DAVWSCGJIBGBHZ-IQWQSGHPSA-N"	"InChI=1S/C24H38F2N4O6/c1-23(2,3)18(29-22(35)36-6)21(34)30-12-13-8-7-9-14(13)16(30)19(32)28-15(10-11-24(4,25)26)17(31)20(33)27-5/h13-16,18H,7-12H2,1-6H3,(H,27,33)(H,28,32)(H,29,35)/t13-,14-,15-,16-,18+/m0/s1"	""	""	""
"12780"	"MK-8153"	""	"Synthetic organic"	""	""	""	""	"483123328"	"72950074"	""	""	"CHEMBL3913475"	""	""	""	""	""	""	"compound 22e [PMID: 34038119]|MK8153"	"O=C1OCC2=C1C=CC(=C2C)[C@@H](O)CN3CCC4(CCN(C=5COC(=O)C5C)C4=O)CC3"	"KDAIMYGCILCZSH-FQEVSTJZSA-N"	"InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1"	""	""	""
"11729"	"MK-8262"	""	"Synthetic organic"	""	""	""	""	"458923764"	"71526553"	""	""	""	""	""	""	""	"4-[5-[2-[(1R,5S,7aS)-1-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-4-(trifluoromethyl)phenyl]-6-methoxypyridin-3-yl]-3-methylbenzoic acid"	""	"compound 87 ]PMID: 34375108]|MK8262"	"FC(c1cc(cc(c1)C(F)(F)F)[C@@H]1[C@H]2N(C(=O)O1)[C@@H](CC2)c1c(ccc(c1)C(F)(F)F)c1cc(cnc1OC)c1c(cc(C(=O)O)cc1)C)(F)F"	"VYZPBLVSILOWMJ-YTCPBCGMSA-N"	"InChI=1S/C35H25F9N2O5/c1-16-9-17(31(47)48)3-5-23(16)19-12-26(30(50-2)45-15-19)24-6-4-20(33(36,37)38)14-25(24)27-7-8-28-29(51-32(49)46(27)28)18-10-21(34(39,40)41)13-22(11-18)35(42,43)44/h3-6,9-15,27-29H,7-8H2,1-2H3,(H,47,48)/t27-,28-,29+/m0/s1"	""	""	""
"9974"	"MK-8353"	""	"Synthetic organic"	""	""	""	""	"374883861"	"58282870"	""	""	""	""	""	""	""	"(3S)-3-methylsulfanyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-propan-2-yloxypyridin-3-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide"	""	"MK8353|SCH900353"	"CS[C@]1(CCN(C1)CC(=O)N1CCC(=CC1)c1ccc(cc1)c1ncn(n1)C)C(=O)Nc1ccc2c(c1)c(n[nH]2)c1ccc(nc1)OC(C)C"	"KPQQGHGDBBJGFA-QNGWXLTQSA-N"	"InChI=1S/C37H41N9O3S/c1-24(2)49-32-12-9-28(20-38-32)34-30-19-29(10-11-31(30)41-42-34)40-36(48)37(50-4)15-18-45(22-37)21-33(47)46-16-13-26(14-17-46)25-5-7-27(8-6-25)35-39-23-44(3)43-35/h5-13,19-20,23-24H,14-18,21-22H2,1-4H3,(H,40,48)(H,41,42)/t37-/m0/s1"	""	""	""
"10508"	"MK-8719"	""	"Synthetic organic"	""	""	""	""	"387065590"	"136416849"	""	""	"CHEMBL4111094"	""	""	""	""	"(3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol"	""	"compound 42 [PMID: 31487175]|MK8719"	"CCNC1=N[C@H]2[C@@H](S1)O[C@@H]([C@H]([C@@H]2O)O)C(F)F"	"UDQTXCHQKHIQMH-KYGLGHNPSA-N"	"InChI=1S/C9H14F2N2O3S/c1-2-12-9-13-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5+,6+,8-/m1/s1"	""	""	""
"7943"	"MK-8776"	""	"Synthetic organic"	""	""	""	""	"249565626"	"16224745"	""	""	"CHEMBL1643208"	""	""	""	""	"6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[5,1-b]pyrimidin-7-amine"	""	"MK 8776|SCH 900776"	"Cn1ncc(c1)c1cnn2c1nc(C1CCCNC1)c(c2N)Br"	"GMIZZEXBPRLVIV-UHFFFAOYSA-N"	"InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3"	""	""	""
"2655"	"MK-886"	""	"Synthetic organic"	""	""	""	""	"135650618"	"3651377"	""	""	"CHEMBL29097"	""	""	""	""	"3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid"	""	"L 663536|MK886"	"Clc1ccc(cc1)Cn1c2ccc(cc2c(c1CC(C(=O)O)(C)C)SC(C)(C)C)C(C)C"	"QAOAOVKBIIKRNL-UHFFFAOYSA-N"	"InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)"	"yes"	""	""
"12577"	"MK-912"	""	"Synthetic organic"	""	""	""	""	"479821367"	"189711"	""	""	"CHEMBL1257057"	""	""	""	""	"(2S,12bS)-1',3'-dimethylspiro[1,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizine-2,4'-1,3-diazinane]-2'-one"	""	"L-657,743|L-657743|MK912"	"CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C"	"JRDUBBHIPPPSLP-OXJNMPFZSA-N"	"InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3/t16-,20+/m0/s1"	""	""	""
"10225"	"ML10"	""	"Synthetic organic"	""	""	""	""	"381744907"	"137348299"	""	""	"CHEMBL4167748"	""	""	""	""	"N-[5-[3-[2-(cyclopropylmethylamino)pyrimidin-4-yl]-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl]-2-fluorophenyl]methanesulfonamide"	""	""	"CC1=CN2C(=NC(=C2C3=NC(=NC=C3)NCC4CC4)C5=CC(=C(C=C5)F)NS(=O)(=O)C)C=C1CN(C)C"	"LDISLUXUWYPJIZ-UHFFFAOYSA-N"	"InChI=1S/C26H30FN7O2S/c1-16-14-34-23(12-19(16)15-33(2)3)31-24(18-7-8-20(27)22(11-18)32-37(4,35)36)25(34)21-9-10-28-26(30-21)29-13-17-5-6-17/h7-12,14,17,32H,5-6,13,15H2,1-4H3,(H,28,29,30)"	""	"yes"	""
"11508"	"ML1000"	""	"Synthetic organic"	""	""	""	""	"441604880"	"155925840"	""	""	""	""	""	""	""	"(3R)-3-{[(1R,2S,5S)-3-[(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-[(3R)-2-methylideneoxolan-3-yl]-2-oxobutanamide"	""	""	"O=C(NC(C)(C)C)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C(=O)C(=O)N)C[C@@H]1CCOC1=C)C2(C)C"	"GLLOOYDKCPXZBT-WCDFTICCSA-N"	"InChI=1S/C28H45N5O6/c1-14-15(10-11-39-14)12-17(20(34)22(29)35)30-23(36)19-18-16(28(18,8)9)13-33(19)24(37)21(26(2,3)4)31-25(38)32-27(5,6)7/h15-19,21H,1,10-13H2,2-9H3,(H2,29,35)(H,30,36)(H2,31,32,38)/t15-,16-,17+,18-,19-,21+/m0/s1"	""	""	""
"235"	"ML 10302"	""	"Synthetic organic"	""	""	""	""	"135650619"	"5311299"	""	""	"CHEMBL286136"	""	""	""	""	"2-piperidin-1-ylethyl 4-amino-5-chloro-2-methoxybenzoate"	""	"ML-10302"	"COc1cc(N)c(cc1C(=O)OCCN1CCCCC1)Cl"	"RVFIAQAAZUEPPE-UHFFFAOYSA-N"	"InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3"	""	""	""
"249"	"ML 10375"	""	"Synthetic organic"	""	""	""	""	"135650620"	"9905972"	""	""	"CHEMBL155917"	""	""	""	""	"2-(3,5-dimethylpiperidin-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate"	""	"ML-10375|ML10375"	"COc1cc(N)c(cc1C(=O)OCCN1CC(C)CC(C1)C)Cl"	"BUEFUOFMOXJXAR-UHFFFAOYSA-N"	"InChI=1S/C17H25ClN2O3/c1-11-6-12(2)10-20(9-11)4-5-23-17(21)13-7-14(18)15(19)8-16(13)22-3/h7-8,11-12H,4-6,9-10,19H2,1-3H3"	""	""	""
"8887"	"ML130"	""	"Synthetic organic"	""	""	""	""	"310264668"	"1088438"	""	""	"CHEMBL1412853"	""	""	""	""	"1-(4-methylphenyl)sulfonylbenzimidazol-2-amine"	""	"compound 1c [PMID: 22003428]|ML-130|Noditinib-1"	"Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2c1cccc2"	"SRFABRWQVPCPRG-UHFFFAOYSA-N"	"InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)"	"yes"	""	""
"14085"	"ML148"	""	"Synthetic organic"	""	""	""	""	"518520712"	"3243760"	""	""	"CHEMBL1343061"	""	""	""	""	"[1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone"	""	"ML-148"	"CC1=CC(=CC=C1)N2C=NC3=C2C=CC(=C3)C(=O)N4CCCCC4"	"YQNOQZALLOQMPY-UHFFFAOYSA-N"	"InChI=1S/C20H21N3O/c1-15-6-5-7-17(12-15)23-14-21-18-13-16(8-9-19(18)23)20(24)22-10-3-2-4-11-22/h5-9,12-14H,2-4,10-11H2,1H3"	""	""	""
"12800"	"ML162"	""	"Synthetic organic"	""	""	""	""	"483123348"	"3689413"	""	""	"CHEMBL1499544"	""	""	""	""	"2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide"	""	"ML-162"	"COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl)Cl"	"UNVKYJSNMVDZJE-UHFFFAOYSA-N"	"InChI=1S/C23H22Cl2N2O3S/c1-30-19-10-9-17(14-18(19)25)27(21(28)15-24)22(20-8-5-13-31-20)23(29)26-12-11-16-6-3-2-4-7-16/h2-10,13-14,22H,11-12,15H2,1H3,(H,26,29)"	""	""	""
"5437"	"ML169"	""	"Synthetic organic"	""	""	""	""	"178102089"	"44475955"	""	""	"CHEMBL1357815"	""	""	""	""	"2-{1-[(5-bromo-2-fluorophenyl)methyl]-1H-indole-3-sulfonyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide"	""	"ML-169|VU0405652"	"Brc1ccc(c(c1)Cn1cc(c2c1cccc2)S(=O)(=O)CC(=O)Nc1noc(c1)C)F"	"RUYRNYRGPSAXTK-UHFFFAOYSA-N"	"InChI=1S/C21H17BrFN3O4S/c1-13-8-20(25-30-13)24-21(27)12-31(28,29)19-11-26(18-5-3-2-4-16(18)19)10-14-9-15(22)6-7-17(14)23/h2-9,11H,10,12H2,1H3,(H,24,25,27)"	""	""	""
"8505"	"ML-18"	""	"Synthetic organic"	""	""	""	""	"252166713"	"91827363"	""	""	""	""	""	""	""	"(2S)-3-(1H-indol-3-yl)-N-{[1-(4-methoxyphenyl)cyclohexyl]methyl}-2-{[(4-nitrophenyl)carbamoyl]amino}propanamide"	""	""	"COc1ccc(cc1)C1(CCCCC1)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Nc1ccc(cc1)[N+](=O)[O-]"	"JOKVJNCYOSFDGC-LJAQVGFWSA-N"	"InChI=1S/C32H35N5O5/c1-42-26-15-9-23(10-16-26)32(17-5-2-6-18-32)21-34-30(38)29(19-22-20-33-28-8-4-3-7-27(22)28)36-31(39)35-24-11-13-25(14-12-24)37(40)41/h3-4,7-16,20,29,33H,2,5-6,17-19,21H2,1H3,(H,34,38)(H2,35,36,39)/t29-/m0/s1"	""	""	""
"9967"	"ML193"	""	"Synthetic organic"	""	""	""	""	"374883854"	"1261822"	""	""	""	""	""	""	""	"N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide"	""	"ML 193|ML-193"	"Cc1cc(C)c2c(c1)c(cc(n2)c1ccccn1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C"	"HTSLEZOTMYUPLU-UHFFFAOYSA-N"	"InChI=1S/C28H25N5O4S/c1-16-13-17(2)26-22(14-16)23(15-25(31-26)24-7-5-6-12-29-24)27(34)30-20-8-10-21(11-9-20)38(35,36)33-28-18(3)19(4)32-37-28/h5-15,33H,1-4H3,(H,30,34)"	""	""	""
"11846"	"ML1-SA1"	""	"Synthetic organic"	""	""	""	""	"461663402"	"162679536"	""	""	""	""	""	""	""	"4,5,6,7-tetrachloro-2-[2-oxo-2-(2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione"	""	"EVP-169|EVP169|ML1SA1"	"CC1CC(C)(C)N(C(=O)CN2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)c2ccccc12"	"JSVBOFDROKCPIA-UHFFFAOYSA-N"	"InChI=1S/C22H18Cl4N2O3/c1-10-8-22(2,3)28(12-7-5-4-6-11(10)12)13(29)9-27-20(30)14-15(21(27)31)17(24)19(26)18(25)16(14)23/h4-7,10H,8-9H2,1-3H3"	""	""	""
"4255"	"ML204"	""	"Synthetic organic"	""	""	""	""	"178101072"	"230710"	""	""	"CHEMBL1459962"	""	""	""	""	"4-methyl-2-(piperidin-1-yl)quinoline"	""	""	"Cc1cc(nc2c1cccc2)N1CCCCC1"	"USYRQXDHKXGTCK-UHFFFAOYSA-N"	"InChI=1S/C15H18N2/c1-12-11-15(17-9-5-2-6-10-17)16-14-8-4-3-7-13(12)14/h3-4,7-8,11H,2,5-6,9-10H2,1H3"	""	""	""
"13415"	"ML211"	""	"Synthetic organic"	""	""	""	""	"496703385"	"56593118"	""	""	"CHEMBL1903566"	""	""	""	""	"(4-tert-butylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-2-yl]methanone"	""	"ML-211"	"CC(C)(C)C1CCN(CC1)C(=O)N2N=CC(=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O"	"LPTMHNPBMQCQPG-UHFFFAOYSA-N"	"InChI=1S/C25H30N4O2/c1-24(2,3)19-14-16-28(17-15-19)23(30)29-26-18-22(27-29)25(31,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,31H,14-17H2,1-3H3"	""	""	""
"7665"	"ML213"	""	"Synthetic organic"	""	""	""	""	"223366000"	"3111211"	""	""	"CHEMBL1703636"	""	""	""	""	"N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-6-carboxamide"	""	"ML 213|ML-213"	"O=C(C1CC2CC1CC2)Nc1c(C)cc(cc1C)C"	"SIQGKPGBLYKQBB-UHFFFAOYSA-N"	"InChI=1S/C17H23NO/c1-10-6-11(2)16(12(3)7-10)18-17(19)15-9-13-4-5-14(15)8-13/h6-7,13-15H,4-5,8-9H2,1-3H3,(H,18,19)"	""	""	""
"13026"	"ML216"	""	"Synthetic organic"	""	""	""	""	"485206147"	"49852229"	""	""	"CHEMBL2426168"	""	""	""	""	"1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea"	""	"ML-216"	"C1=CC(=C(C=C1NC(=O)NC2=NN=C(S2)C3=CC=NC=C3)C(F)(F)F)F"	"WMCOYUSJXXCHFH-UHFFFAOYSA-N"	"InChI=1S/C15H9F4N5OS/c16-11-2-1-9(7-10(11)15(17,18)19)21-13(25)22-14-24-23-12(26-14)8-3-5-20-6-4-8/h1-7H,(H2,21,22,24,25)"	""	""	""
"7720"	"ML218"	""	"Synthetic organic"	""	""	""	""	"223366053"	"45115620"	""	""	"CHEMBL1732375"	""	""	""	""	"3,5-dichloro-N-[[(1R,5S)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide"	""	"ML 218|ML-218"	"O=C(c1cc(Cl)cc(c1)Cl)NC[C@@H]1[C@@H]2[C@H]1CN(C2)CCC(C)(C)C"	"GSJIGYLGKSBYBC-OSYLJGHBSA-N"	"InChI=1S/C19H26Cl2N2O/c1-19(2,3)4-5-23-10-16-15(17(16)11-23)9-22-18(24)12-6-13(20)8-14(21)7-12/h6-8,15-17H,4-5,9-11H2,1-3H3,(H,22,24)/t15-,16-,17+"	""	""	""
"6282"	"ML221"	""	"Synthetic organic"	""	""	""	""	"178102902"	"7217941"	""	""	"CHEMBL2158347"	""	""	""	""	"[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-nitrobenzoate"	""	""	"O=C(c1ccc(cc1)[N+](=O)[O-])Oc1coc(cc1=O)CSc1ncccn1"	"UASIRTUMPRQVFY-UHFFFAOYSA-N"	"InChI=1S/C17H11N3O6S/c21-14-8-13(10-27-17-18-6-1-7-19-17)25-9-15(14)26-16(22)11-2-4-12(5-3-11)20(23)24/h1-9H,10H2"	""	""	""
"6314"	"ML233"	""	"Synthetic organic"	""	""	""	""	"178102933"	"46905036"	""	""	"CHEMBL3819625"	""	""	""	""	"[(1E)-5-cyclohexyl-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]amino benzenesulfonate"	""	"ML-233"	"CC1=CC(=O)C(=C/C/1=N\OS(=O)(=O)c1ccccc1)C1CCCCC1"	"RSMZOLWJZGIWOV-CZIZESTLSA-N"	"InChI=1S/C19H21NO4S/c1-14-12-19(21)17(15-8-4-2-5-9-15)13-18(14)20-24-25(22,23)16-10-6-3-7-11-16/h3,6-7,10-13,15H,2,4-5,8-9H2,1H3/b20-18+"	""	""	""
"14112"	"ML252"	""	"Synthetic organic"	""	""	""	""	"518520739"	"26873419"	""	""	"CHEMBL2164048"	""	""	""	""	"(2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide"	""	"ML-252"	"CC[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=CC=C2N3CCCC3"	"FROGGFONBYACJB-KRWDZBQOSA-N"	"InChI=1S/C20H24N2O/c1-2-17(16-10-4-3-5-11-16)20(23)21-18-12-6-7-13-19(18)22-14-8-9-15-22/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,21,23)/t17-/m0/s1"	""	""	""
"7666"	"ML277"	""	"Synthetic organic"	""	""	""	""	"223366001"	"53347902"	""	""	"CHEMBL2070953"	""	""	""	""	"(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide"	""	"ML 277|ML-277"	"COc1ccc(cc1)c1csc(n1)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C"	"OXQNLLVUVDAEHC-OAQYLSRUSA-N"	"InChI=1S/C23H25N3O4S2/c1-16-6-12-19(13-7-16)32(28,29)26-14-4-3-5-21(26)22(27)25-23-24-20(15-31-23)17-8-10-18(30-2)11-9-17/h6-13,15,21H,3-5,14H2,1-2H3,(H,24,25,27)/t21-/m1/s1"	""	""	""
"8322"	"ML290"	""	"Synthetic organic"	""	""	""	""	"252166534"	"56593349"	""	""	""	""	""	""	""	"2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide"	""	"compound 8 [PMID: 23764525]|ML 290"	"CC(Oc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F)C"	"RSYHJSDOGMSLDH-UHFFFAOYSA-N"	"InChI=1S/C24H21F3N2O5S/c1-15(2)34-21-13-6-4-11-19(21)23(31)29-20-12-5-3-10-18(20)22(30)28-16-8-7-9-17(14-16)35(32,33)24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31)"	""	""	""
"7768"	"ML297"	""	"Synthetic organic"	""	""	""	""	"223366101"	"56642816"	""	""	"CHEMBL2409106"	""	""	""	""	"1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea"	""	"ML 297|ML-297"	"O=C(Nc1cc(nn1c1ccccc1)C)Nc1ccc(c(c1)F)F"	"IEKSMUSSYJUQMY-UHFFFAOYSA-N"	"InChI=1S/C17H14F2N4O/c1-11-9-16(23(22-11)13-5-3-2-4-6-13)21-17(24)20-12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H2,20,21,24)"	""	""	""
"10301"	"ML2-SA1"	""	"Synthetic organic"	""	""	""	""	"381744982"	"137553170"	""	""	""	""	""	""	""	""	""	"EVP-22|EVP22|ML2 SA1|ML2SA1"	"Clc1cccc(c1C1=NOC2C1C1CCC2C1)Cl"	"NBXVMFMMTKYFQP-UHFFFAOYSA-N"	"InChI=1S/C14H13Cl2NO/c15-9-2-1-3-10(16)12(9)13-11-7-4-5-8(6-7)14(11)18-17-13/h1-3,7-8,11,14H,4-6H2"	"yes"	""	""
"11657"	"ML300"	""	"Synthetic organic"	""	""	""	""	"442878683"	"46861530"	""	""	"CHEMBL2442081"	""	""	""	""	"N-[4-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide"	""	"compound 16e [PMID: 24080461]|ML-300"	"C1CC1C(=O)Nc1ccc(cc1)N(Cc1cscc1)C(=O)Cn1c2ccccc2nn1"	"OCKMJWOFMCSMEX-UHFFFAOYSA-N"	"InChI=1S/C23H21N5O2S/c29-22(14-28-21-4-2-1-3-20(21)25-26-28)27(13-16-11-12-31-15-16)19-9-7-18(8-10-19)24-23(30)17-5-6-17/h1-4,7-12,15,17H,5-6,13-14H2,(H,24,30)"	""	""	""
"8162"	"ML315"	""	"Synthetic organic"	""	""	""	""	"249565842"	"46926514"	""	""	"CHEMBL1885748"	""	""	""	""	"5-(1,3-benzodioxol-5-yl)-N-[(3,5-dichlorophenyl)methyl]pyrimidin-4-amine"	""	""	"Clc1cc(CNc2ncncc2c2ccc3c(c2)OCO3)cc(c1)Cl"	"JQSJAVBMIMDUFO-UHFFFAOYSA-N"	"InChI=1S/C18H13Cl2N3O2/c19-13-3-11(4-14(20)6-13)7-22-18-15(8-21-9-23-18)12-1-2-16-17(5-12)25-10-24-16/h1-6,8-9H,7,10H2,(H,21,22,23)"	""	""	""
"8368"	"ML321"	""	"Synthetic organic"	""	""	""	""	"252166580"	"57377246"	""	""	"CHEMBL3234544"	""	""	""	""	"(11S)-5-methyl-6,11-dioxo-N-(2-thiophen-2-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide"	""	"compound 65 [PMID 24666157]"	"O=C(c1ccc2c(c1)N(C)C(=O)c1c([S@@]2=O)cccc1)NCCc1cccs1"	"YXLLQNMKIDBOGH-NDEPHWFRSA-N"	"InChI=1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)/t28-/m0/s1"	""	""	""
"7898"	"ML323"	""	"Synthetic organic"	""	""	""	""	"223366218"	"60167849"	""	""	"CHEMBL3182437"	""	""	""	""	"5-methyl-2-(2-propan-2-ylphenyl)-N-[[4-(triazol-1-yl)phenyl]methyl]pyrimidin-4-amine"	""	"ML 323|ML-323"	"Cc1cnc(nc1NCc1ccc(cc1)n1nncc1)c1ccccc1C(C)C"	"VUIRVWPJNKZOSS-UHFFFAOYSA-N"	"InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)"	""	""	""
"9584"	"ML324"	""	"Synthetic organic"	""	""	""	""	"340590215"	"44143209"	""	""	"CHEMBL1398529"	""	""	""	""	"N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide"	""	"ML-324|MMV1580488"	"CN(CCCNC(=O)c1ccc(cc1)c1cc(O)c2c(c1)cccn2)C"	"QDBVSOZTVKXUES-UHFFFAOYSA-N"	"InChI=1S/C21H23N3O2/c1-24(2)12-4-11-23-21(26)16-8-6-15(7-9-16)18-13-17-5-3-10-22-20(17)19(25)14-18/h3,5-10,13-14,25H,4,11-12H2,1-2H3,(H,23,26)"	"yes"	"yes"	""
"8765"	"ML337"	""	"Synthetic organic"	""	""	""	""	"252827423"	"60204017"	""	""	"CHEMBL2385886"	""	""	""	""	"[2-fluoro-4-[2-(4-methoxyphenyl)ethynyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone"	""	"ML 337|ML-337"	"COc1ccc(cc1)C#Cc1ccc(c(c1)F)C(=O)N1CCC[C@H](C1)O"	"QBCRLDPMQHPGIM-QGZVFWFLSA-N"	"InChI=1S/C21H20FNO3/c1-26-18-9-6-15(7-10-18)4-5-16-8-11-19(20(22)13-16)21(25)23-12-2-3-17(24)14-23/h6-11,13,17,24H,2-3,12,14H2,1H3/t17-/m1/s1"	""	""	""
"8121"	"ML347"	""	"Synthetic organic"	""	""	""	""	"249565801"	"44577753"	""	""	"CHEMBL502351"	""	""	""	""	"5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline"	""	"ML-347"	"COc1ccc(cc1)c1cnc2n(c1)ncc2c1cccc2c1cccn2"	"FVRYPYDPKSZGNS-UHFFFAOYSA-N"	"InChI=1S/C22H16N4O/c1-27-17-9-7-15(8-10-17)16-12-24-22-20(13-25-26(22)14-16)18-4-2-6-21-19(18)5-3-11-23-21/h2-14H,1H3"	""	""	""
"13412"	"ML348"	""	"Synthetic organic"	""	""	""	""	"496703382"	"3238952"	""	""	"CHEMBL600764"	""	""	""	""	"N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide"	""	"ML-348"	"C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)C3=CC=CO3"	"OXKNHBBDOIMFFQ-UHFFFAOYSA-N"	"InChI=1S/C18H17ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2,(H,23,26)"	""	""	""
"13413"	"ML349"	""	"Synthetic organic"	""	""	""	""	"496703383"	"16193817"	""	""	"CHEMBL1509398"	""	""	""	""	"(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone"	""	""	"COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5S(=O)(=O)C4"	"YVIJPELUPZUEJX-UHFFFAOYSA-N"	"InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3"	""	""	""
"10263"	"ML351"	""	"Synthetic organic"	""	""	""	""	"381744944"	"664510"	""	""	"CHEMBL1548353"	""	""	""	""	"5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile"	""	"ML-351"	"CNc1oc(nc1C#N)c1cccc2c1cccc2"	"DYXYXTDIFMDJIR-UHFFFAOYSA-N"	"InChI=1S/C15H11N3O/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3"	""	""	""
"9459"	"ML354"	""	"Synthetic organic"	""	""	""	""	"329968399"	"752812"	""	""	"CHEMBL1609104"	""	""	""	""	"(1-methyl-5-nitro-3-phenylindol-2-yl)methanol"	""	"VU0099704"	"OCc1c(c2ccccc2)c2c(n1C)ccc(c2)[N+](=O)[O-]"	"GNJUKVGDCUKDLF-UHFFFAOYSA-N"	"InChI=1S/C16H14N2O3/c1-17-14-8-7-12(18(20)21)9-13(14)16(15(17)10-19)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3"	""	""	""
"13057"	"ML364"	""	"Synthetic organic"	""	""	""	""	"491299839"	"70789348"	""	""	"CHEMBL3392741"	""	""	""	""	"2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide"	""	"ML-364"	"CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)C(=O)NC3=NC(=CS3)C4=CC=CC=C4"	"QZUGMNXETPARLI-UHFFFAOYSA-N"	"InChI=1S/C24H18F3N3O3S2/c1-15-7-10-18(11-8-15)35(32,33)30-20-13-17(24(25,26)27)9-12-19(20)22(31)29-23-28-21(14-34-23)16-5-3-2-4-6-16/h2-14,30H,1H3,(H,28,29,31)"	""	""	""
"7631"	"ML375"	""	"Synthetic organic"	""	""	""	""	"223365966"	"71598521"	""	""	"CHEMBL3105228"	""	""	""	""	"(9bS)-9b-(4-chlorophenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one"	""	"VU0483253-3"	"Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F"	"GXBAKXRLQAPKEE-QHCPKHFHSA-N"	"InChI=1S/C23H15ClF2N2O2/c24-16-8-6-15(7-9-16)23-18-4-2-1-3-17(18)22(30)28(23)12-11-27(23)21(29)14-5-10-19(25)20(26)13-14/h1-10,13H,11-12H2/t23-/m0/s1"	""	""	""
"8687"	"ML380"	""	"Synthetic organic"	""	""	""	""	"252166887"	"71737672"	""	""	""	""	""	""	""	""	""	"VU0481443-3"	"CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F"	"FJPQEOQGIZSLES-UHFFFAOYSA-N"	"InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)"	""	""	""
"8591"	"ML381"	""	"Synthetic organic"	""	""	""	""	"252166792"	"42519285"	""	""	"CHEMBL3185781"	""	""	""	""	"5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,2-oxazole-3-carboxamide"	""	"VU0488130-1"	"CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C"	"JMYDHMCYZKRDPD-AWEZNQCLSA-N"	"InChI=1S/C21H21N3O4/c1-14(19-9-4-5-10-22-19)24(3)21(26)20-12-18(28-23-20)13-27-17-8-6-7-16(11-17)15(2)25/h4-12,14H,13H2,1-3H3/t14-/m0/s1"	""	""	""
"10154"	"ML385"	""	"Synthetic organic"	""	""	""	""	"381118864"	"1383822"	""	""	"CHEMBL1479098"	""	""	""	""	"2-(1,3-benzodioxol-5-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide"	""	"compound 2 [PMID: 27552339]|ML-385"	"O=C(Nc1sc(c(n1)c1ccc2c(c1)CCN2C(=O)c1ccccc1C)C)Cc1ccc2c(c1)OCO2"	"LINHYWKZVCNAMQ-UHFFFAOYSA-N"	"InChI=1S/C29H25N3O4S/c1-17-5-3-4-6-22(17)28(34)32-12-11-20-15-21(8-9-23(20)32)27-18(2)37-29(31-27)30-26(33)14-19-7-10-24-25(13-19)36-16-35-24/h3-10,13,15H,11-12,14,16H2,1-2H3,(H,30,31,33)"	""	""	""
"8440"	"ML398"	""	"Synthetic organic"	""	""	""	""	"252166650"	"72737723"	""	""	""	""	""	""	""	"(2R)-4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine"	""	""	"Clc1ccc(cc1)CN1CCO[C@@H](C1)CCc1ccccc1"	"CVKXGRRJHJHUFY-LJQANCHMSA-N"	"InChI=1S/C19H22ClNO/c20-18-9-6-17(7-10-18)14-21-12-13-22-19(15-21)11-8-16-4-2-1-3-5-16/h1-7,9-10,19H,8,11-15H2/t19-/m1/s1"	""	""	""
"11847"	"ML3-SA1"	""	"Synthetic organic"	""	""	""	""	"461663403"	"162679537"	""	""	""	""	""	""	""	"3-(2,4,6-trimethylphenyl)-3aH,4H,5H,6H,7aH-pyrano[3,2-d][1,2]oxazole"	""	"EVP-77|EVP77|ML3 SA1|ML3SA1"	"Cc1cc(C)c(C2=NOC3OCCCC23)c(C)c1"	"PDQSLEUINSEJHR-UHFFFAOYSA-N"	"InChI=1S/C15H19NO2/c1-9-7-10(2)13(11(3)8-9)14-12-5-4-6-17-15(12)18-16-14/h7-8,12,15H,4-6H2,1-3H3"	""	""	""
"4256"	"ML9"	""	"Synthetic organic"	""	""	""	""	"178101073"	"4217"	""	""	"CHEMBL429298"	""	""	""	""	"1-(5-chloronaphthalene-1-sulfonyl)-1,4-diazepane"	""	""	"Clc1cccc2c1cccc2S(=O)(=O)N1CCNCCC1"	"OZSMSRIUUDGTEP-UHFFFAOYSA-N"	"InChI=1S/C15H17ClN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2"	""	""	""
"9351"	"MLCK inhibitor peptide 18"	""	"Peptide"	""	""	""	""	"328083453"	"10102940"	""	""	"CHEMBL443574"	""	""	""	""	""	""	"Myosin Light Chain Kinase Inhibitor Peptide 18"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCN=C(N)N)CCCN=C(N)N)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)N)CCCCN)CCCCN)Cc1ccc(cc1)O"	"JPOKAKNGULMYHZ-UILVTTEASA-N"	"InChI=1S/C60H105N23O11/c61-27-5-1-13-41(49(66)86)76-51(88)45(17-10-32-74-59(69)70)79-53(90)46(18-11-33-75-60(71)72)81-57(94)48(35-37-21-25-39(85)26-22-37)83-55(92)44(16-4-8-30-64)80-56(93)47(34-36-19-23-38(84)24-20-36)82-54(91)43(15-3-7-29-63)78-52(89)42(14-2-6-28-62)77-50(87)40(65)12-9-31-73-58(67)68/h19-26,40-48,84-85H,1-18,27-35,61-65H2,(H2,66,86)(H,76,88)(H,77,87)(H,78,89)(H,79,90)(H,80,93)(H,81,94)(H,82,91)(H,83,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1"	""	""	""
"11663"	"MLI-2"	""	"Synthetic organic"	""	""	""	""	"442878689"	"78319901"	""	""	"CHEMBL4098877"	""	""	""	""	""	""	"compound 1 [PMID: 28245354]|MLi-2"	"C[C@@H]1CN(C[C@@H](O1)C)c1ncnc(c1)c1n[nH]c2c1cc(cc2)OC1(CC1)C"	"ATUUNJCZCOMUKD-OKILXGFUSA-N"	"InChI=1S/C21H25N5O2/c1-13-10-26(11-14(2)27-13)19-9-18(22-12-23-19)20-16-8-15(28-21(3)6-7-21)4-5-17(16)24-25-20/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,25)/t13-,14+"	""	""	""
"9513"	"MLKL compound 1"	""	"Synthetic organic"	""	""	""	""	"336446900"	"5329829"	""	""	"CHEMBL188381"	""	""	""	""	""	""	"compound 23 [PMID: 15990302]|GW806742X"	"O=C(Nc1ccc(cc1)OC(F)(F)F)Nc1ccc(cc1)N(c1ccnc(n1)Nc1cccc(c1)S(=O)(=O)N)C"	"SNRUTMWCDZHKKM-UHFFFAOYSA-N"	"InChI=1S/C25H22F3N7O4S/c1-35(22-13-14-30-23(34-22)31-18-3-2-4-21(15-18)40(29,37)38)19-9-5-16(6-10-19)32-24(36)33-17-7-11-20(12-8-17)39-25(26,27)28/h2-15H,1H3,(H2,29,37,38)(H,30,31,34)(H2,32,33,36)"	""	""	""
"9402"	"MLN0905"	""	"Synthetic organic"	""	""	""	""	"328083504"	"46235922"	""	""	"CHEMBL1945805"	""	""	""	""	"2-[[5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione"	""	"compound 12c [PMID: 22070629]"	"CN(CCCc1cnc(c(c1)Nc1ncc2c(n1)c1ccc(cc1NC(=S)C2)C(F)(F)F)C)C"	"CODBZFJPKJDNDT-UHFFFAOYSA-N"	"InChI=1S/C24H25F3N6S/c1-14-19(9-15(12-28-14)5-4-8-33(2)3)31-23-29-13-16-10-21(34)30-20-11-17(24(25,26)27)6-7-18(20)22(16)32-23/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,30,34)(H,29,31,32)"	""	""	""
"5694"	"MLN-120B"	""	"Synthetic organic"	""	""	""	""	"178102321"	"9929127"	""	""	"CHEMBL608154"	""	""	""	""	"N-{6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl}-2-methylpyridine-3-carboxamide"	""	"ML120B|MLN120B"	"COc1c(Cl)cc2c(c1NC(=O)c1cccnc1C)[nH]c1c2ccnc1"	"ZNOLRTPMNMPLHY-UHFFFAOYSA-N"	"InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)"	"yes"	""	""
"10750"	"MLN-3897"	""	"Synthetic organic"	""	""	""	""	"405560191"	"18437138"	""	""	""	""	""	""	""	""	""	"AVE-9897|AVE9897|MLN3897"	"Clc1ccc(cc1)C1(O)CCN(CC1(C)C)CC/C=C\1/c2cc(ccc2OCc2c1cccn2)C(O)(C)C"	"ZGFJFBOLVLFLLN-ZNLRHDTNSA-N"	"InChI=1S/C32H37ClN2O3/c1-30(2)21-35(18-15-32(30,37)22-9-12-24(33)13-10-22)17-6-8-25-26-7-5-16-34-28(26)20-38-29-14-11-23(19-27(25)29)31(3,4)36/h5,7-14,16,19,36-37H,6,15,17-18,20-21H2,1-4H3/b25-8+"	""	""	""
"7866"	"MLN-4760"	""	"Synthetic organic"	""	""	""	""	"223366196"	"448281"	""	""	"CHEMBL429844"	""	""	""	""	"(2S)-2-[[(2S)-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid"	""	"MLN 4760|MLN4760"	"CC(C[C@@H](C(=O)O)N[C@H](C(=O)O)Cc1cncn1Cc1cc(Cl)cc(c1)Cl)C"	"NTCCRGGIJNDEAB-IRXDYDNUSA-N"	"InChI=1S/C19H23Cl2N3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)/t16-,17-/m0/s1"	""	""	""
"5696"	"MLN-8054"	""	"Synthetic organic"	""	""	""	""	"178102323"	"11712649"	""	""	"CHEMBL259084"	""	""	""	""	"4-{[13-chloro-10-(2,6-difluorophenyl)-3,5,9-triazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl]amino}benzoic acid"	""	"MLN 8054|MLN8054"	"Clc1ccc2c(c1)C(=NCc1c2nc(nc1)Nc1ccc(cc1)C(=O)O)c1c(F)cccc1F"	"HHFBDROWDBDFBR-UHFFFAOYSA-N"	"InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)"	""	""	""
"10264"	"MLS000536924"	""	"Synthetic organic"	""	""	""	""	"381744945"	"1778842"	""	""	"CHEMBL1452107"	""	""	""	""	"3-[(4-methylphenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole"	""	""	"Cc1ccc(cc1)CSc1ncn(n1)c1ccccc1"	"JAVBFNWBMPZICK-UHFFFAOYSA-N"	"InChI=1S/C16H15N3S/c1-13-7-9-14(10-8-13)11-20-16-17-12-19(18-16)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3"	""	""	""
"8369"	"MLS1547"	""	"Synthetic organic"	""	""	""	""	"252166581"	"1093278"	""	""	"CHEMBL1606583"	""	""	""	""	"5-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol"	""	"MLS000051547"	"Clc1cc(CN2CCN(CC2)c2ccccn2)c(c2c1cccn2)O"	"OPEJNANYABTIGC-UHFFFAOYSA-N"	"InChI=1S/C19H19ClN4O/c20-16-12-14(19(25)18-15(16)4-3-7-22-18)13-23-8-10-24(11-9-23)17-5-1-2-6-21-17/h1-7,12,25H,8-11,13H2"	""	""	""
"6386"	"ML SA1"	""	"Synthetic organic"	""	""	""	""	"178103002"	"2880983"	""	""	"CHEMBL1527280"	""	""	""	""	"2-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]isoindole-1,3-dione"	""	"ML-SA1"	"CC1CC(C)(C)N(c2c1cccc2)C(=O)CN1C(=O)c2c(C1=O)cccc2"	"KDDHBJICVBONAX-UHFFFAOYSA-N"	"InChI=1S/C22H22N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-11,14H,12-13H2,1-3H3"	""	""	""
"12542"	"ML-SA5"	""	"Synthetic organic"	""	""	""	""	"479821332"	"154578372"	""	""	""	""	""	""	""	"1-N-(3-chloro-2-piperidin-1-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide"	""	""	"CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=CC=C2)Cl)N3CCCCC3"	"YPPWKTIVYUTTEH-UHFFFAOYSA-N"	"InChI=1S/C19H24ClN3O4S2/c1-22(2)29(26,27)16-11-9-15(10-12-16)28(24,25)21-18-8-6-7-17(20)19(18)23-13-4-3-5-14-23/h6-12,21H,3-5,13-14H2,1-2H3"	""	""	""
"8523"	"MM07"	""	"Peptide"	""	""	""	""	"252166725"	"134828250"	""	""	""	""	""	""	""	"L-cysteinyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-cysteinyl-L-histidyl-L-lysyl-glycyl-L-prolyl-L-methionyl-L-prolyl-L-phenylalanine (1->6)-disulfide"	""	"cyclo[1-6]CRPRLCHKGPMPF"	"NCCCC[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCSC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CCCNC(=N)N)CCC2"	"RKFGCZWTURNFPN-SVENNQHVSA-N"	"InChI=1S/C67H106N22O14S3/c1-38(2)30-46-57(94)86-49(36-106-105-35-41(69)54(91)81-44(18-10-25-76-67(72)73)63(100)88-27-12-20-51(88)61(98)80-43(56(93)83-46)17-9-24-75-66(70)71)59(96)84-47(32-40-33-74-37-78-40)58(95)79-42(16-7-8-23-68)55(92)77-34-53(90)87-26-11-19-50(87)60(97)82-45(22-29-104-3)64(101)89-28-13-21-52(89)62(99)85-48(65(102)103)31-39-14-5-4-6-15-39/h4-6,14-15,33,37-38,41-52H,7-13,16-32,34-36,68-69H2,1-3H3,(H,74,78)(H,77,92)(H,79,95)(H,80,98)(H,81,91)(H,82,97)(H,83,93)(H,84,96)(H,85,99)(H,86,94)(H,102,103)(H4,70,71,75)(H4,72,73,76)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1"	""	""	""
"14546"	"mM1_034_F21W_Y27F"	""	"Peptide"	""	""	""	""	"528429867"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8931"	"MM-111"	""	"Antibody"	""	""	""	""	"310264712"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4062"	"MM 11253"	""	"Synthetic organic"	""	""	""	""	"178100886"	"10389639"	""	""	""	""	""	""	""	"6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolan-2-yl]naphthalene-2-carboxylic acid"	""	"MM-11253|MM11253"	"OC(=O)c1ccc2c(c1)ccc(c2)C1(SCCS1)c1ccc2c(c1)C(C)(C)CCC2(C)C"	"DPVGXUNWCVEIGT-UHFFFAOYSA-N"	"InChI=1S/C28H30O2S2/c1-26(2)11-12-27(3,4)24-17-22(9-10-23(24)26)28(31-13-14-32-28)21-8-7-18-15-20(25(29)30)6-5-19(18)16-21/h5-10,15-17H,11-14H2,1-4H3,(H,29,30)"	""	""	""
"9125"	"MM-151"	""	"Antibody"	""	""	""	""	"315661210"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11533"	"MM3122"	""	"Synthetic organic"	""	""	""	""	"441604905"	"155925845"	""	""	""	""	""	""	""	"(2S)-N-[(1S)-1-{[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}-2-phenylethyl]-2-(2-acetamidoacetamido)pentanediamide"	""	"Ac-GQFR-kbt|compound 4 [Mahoney <i>et al</i>, 2021]|MM-3122"	"NC(=N)NCCC[C@@H](C(=O)c1nc2c(s1)cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C)CCC(=O)N)Cc1ccccc1"	"ZEPMYXYJCBQSLH-VABKMULXSA-N"	"InChI=1S/C31H39N9O6S/c1-18(41)36-17-26(43)37-22(13-14-25(32)42)28(45)39-23(16-19-8-3-2-4-9-19)29(46)38-21(11-7-15-35-31(33)34)27(44)30-40-20-10-5-6-12-24(20)47-30/h2-6,8-10,12,21-23H,7,11,13-17H2,1H3,(H2,32,42)(H,36,41)(H,37,43)(H,38,46)(H,39,45)(H4,33,34,35)/t21-,22-,23-/m0/s1"	""	""	""
"9944"	"MM-433593"	""	"Synthetic organic"	""	""	""	""	"363894237"	"25143721"	""	""	""	""	""	""	""	"2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxypyridin-4-yl)-2-oxoacetamide"	""	"MM433593"	"COc1nccc(c1)NC(=O)C(=O)c1c2cc(C)ccc2n(c1C)Cc1ccc(cc1)Cl"	"RIKZRSJVZWKHNX-UHFFFAOYSA-N"	"InChI=1S/C25H22ClN3O3/c1-15-4-9-21-20(12-15)23(16(2)29(21)14-17-5-7-18(26)8-6-17)24(30)25(31)28-19-10-11-27-22(13-19)32-3/h4-13H,14H2,1-3H3,(H,27,28,31)"	"yes"	""	""
"6186"	"MM54"	""	"Peptide"	""	""	""	""	"178102807"	"0"	""	""	""	""	""	""	""	""	""	"cyclo(1-6)CRPRLC-KH-cyclo(9-14)CRPRLC"	""	""	""	""	""	""
"6240"	"MMK-1"	""	"Peptide"	""	""	""	""	"178102861"	"25074458"	""	""	""	""	""	""	""	""	""	"MMK 1"	"CSCC[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CCC(=O)O)CO)Cc1ccccc1)CCCN=C(N)N)CO)CC(C)C)CC(C)C)Cc1ccccc1)CCCN=C(N)N"	"PWBQRCXCXXGUGY-AJOXZCOLSA-N"	"InChI=1S/C75H123N19O18S/c1-12-44(10)60(94-70(108)57(39-96)92-63(101)50(27-28-58(97)98)83-61(99)47(76)33-40(2)3)72(110)90-55(37-46-23-17-14-18-24-46)68(106)84-48(25-19-30-81-74(77)78)62(100)91-56(38-95)69(107)88-53(35-42(6)7)65(103)87-52(34-41(4)5)66(104)89-54(36-45-21-15-13-16-22-45)67(105)85-49(26-20-31-82-75(79)80)64(102)93-59(43(8)9)71(109)86-51(73(111)112)29-32-113-11/h13-18,21-24,40-44,47-57,59-60,95-96H,12,19-20,25-39,76H2,1-11H3,(H,83,99)(H,84,106)(H,85,105)(H,86,109)(H,87,103)(H,88,107)(H,89,104)(H,90,110)(H,91,100)(H,92,101)(H,93,102)(H,94,108)(H,97,98)(H,111,112)(H4,77,78,81)(H4,79,80,82)/t44-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-/m0/s1"	"yes"	""	""
"12669"	"MMP13 tracer  [<sup>18</sup>F]5j"	""	"Synthetic organic"	""	""	"yes"	"yes"	"483123217"	"168433294"	""	""	""	""	""	""	""	"6-Fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-5-(2-fluoroethoxy)-4-oxo-3,4-dihydroquinazoline-2-carboxamide"	""	""	"O=C1NC(C(NCC2=CC(C)=C(F)C=C2)=O)=NC3=C1C(=C(C=C3)F)OCC[18F]"	"MVQCEAOGAKVDKG-LRFGSCOBSA-N"	"InChI=1S/C19H16F3N3O3/c1-10-8-11(2-3-12(10)21)9-23-19(27)17-24-14-5-4-13(22)16(28-7-6-20)15(14)18(26)25-17/h2-5,8H,6-7,9H2,1H3,(H,23,27)(H,24,25,26)/i20-1"	""	""	""
"3341"	"MMPIP"	""	"Synthetic organic"	""	""	""	""	"178100371"	"9945530"	""	""	"CHEMBL593489"	""	""	""	""	"6-(4-methoxyphenyl)-5-methyl-3-(pyridin-4-yl)-4H,5H-[1,2]oxazolo[4,5-c]pyridin-4-one"	""	""	"COc1ccc(cc1)c1cc2onc(c2c(=O)n1C)c1ccncc1"	"PDWYBOZNEVALOV-UHFFFAOYSA-N"	"InChI=1S/C19H15N3O3/c1-22-15(12-3-5-14(24-2)6-4-12)11-16-17(19(22)23)18(21-25-16)13-7-9-20-10-8-13/h3-11H,1-2H3"	""	""	""
"10229"	"MMV008138"	""	"Synthetic organic"	""	""	""	""	"381744911"	"2829106"	""	""	"CHEMBL527593"	""	""	""	""	"1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[5,4-b]indole-3-carboxylic acid"	""	"GNF-Pf-4188|TCMDC-125815"	"Clc1ccc(c(c1)Cl)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O"	"ZJDRIKAAFJMYGX-UHFFFAOYSA-N"	"InChI=1S/C18H14Cl2N2O2/c19-9-5-6-11(13(20)7-9)16-17-12(8-15(22-16)18(23)24)10-3-1-2-4-14(10)21-17/h1-7,15-16,21-22H,8H2,(H,23,24)"	""	"yes"	""
"11463"	"MMV009108"	""	"Synthetic organic"	""	""	""	""	"440816832"	"2297659"	""	""	"CHEMBL1198449"	""	""	""	""	"4-[2-[(3,4-dimethylphenyl)amino]-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide"	""	"GNF-Pf-3616"	"CCN(S(=O)(=O)c1ccc(cc1)c1csc(n1)Nc1ccc(c(c1)C)C)CC"	"CFAYJTHICHSZHC-UHFFFAOYSA-N"	"InChI=1S/C21H25N3O2S2/c1-5-24(6-2)28(25,26)19-11-8-17(9-12-19)20-14-27-21(23-20)22-18-10-7-15(3)16(4)13-18/h7-14H,5-6H2,1-4H3,(H,22,23)"	""	"yes"	""
"11456"	"MMV019313"	""	"Synthetic organic"	""	""	""	""	"440816825"	"20857481"	""	""	"CHEMBL532155"	""	""	""	""	"N-[3-(azepan-1-yl)propyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide"	""	"TCMDC-123889"	"O=C(c1cc2c(s1)c1ccccc1n(c2=O)C)NCCCN1CCCCCC1"	"NVFMMXVDSJFVNO-UHFFFAOYSA-N"	"InChI=1S/C22H27N3O2S/c1-24-18-10-5-4-9-16(18)20-17(22(24)27)15-19(28-20)21(26)23-11-8-14-25-12-6-2-3-7-13-25/h4-5,9-10,15H,2-3,6-8,11-14H2,1H3,(H,23,26)"	""	"yes"	""
"10017"	"MMV024101"	""	"Synthetic organic"	""	""	""	""	"375973207"	"25127876"	""	""	"CHEMBL530228"	""	""	""	""	"5-[8-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide"	""	"compound 8 [PMID: 29889526]"	"NS(=O)(=O)c1cncc(c1)c1ccc2c(n1)c(ccn2)c1c[nH]nc1"	"GTWOKQIGBJADIZ-UHFFFAOYSA-N"	"InChI=1S/C16H12N6O2S/c17-25(23,24)12-5-10(6-18-9-12)14-1-2-15-16(22-14)13(3-4-19-15)11-7-20-21-8-11/h1-9H,(H,20,21)(H2,17,23,24)"	""	"yes"	""
"11201"	"MMV030084"	""	"Synthetic organic"	""	""	""	""	"434122261"	"22185475"	""	""	"CHEMBL200889"	""	""	""	""	"5-[2-(1-amino-2-methylpropan-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol"	""	"TCMDC-140369"	"NCC(c1nc(c([nH]1)c1ccc(c(c1)O)Cl)c1ccncc1)(C)C"	"YRHGMGAVJILIGS-UHFFFAOYSA-N"	"InChI=1S/C18H19ClN4O/c1-18(2,10-20)17-22-15(11-5-7-21-8-6-11)16(23-17)12-3-4-13(19)14(24)9-12/h3-9,24H,10,20H2,1-2H3,(H,22,23)"	""	"yes"	""
"9726"	"MMV048"	""	"Synthetic organic"	""	""	""	""	"374883825"	"53311393"	""	""	"CHEMBL2041980"	""	""	""	""	"5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-amine"	""	"MMV390048"	"Nc1ncc(cc1c1ccc(nc1)C(F)(F)F)c1ccc(cc1)S(=O)(=O)C"	"RTJQABCNNLMCJF-UHFFFAOYSA-N"	"InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-5-2-11(3-6-14)13-8-15(17(22)24-10-13)12-4-7-16(23-9-12)18(19,20)21/h2-10H,1H3,(H2,22,24)"	""	"yes"	""
"11824"	"MMV1803022"	""	"Synthetic organic"	""	""	""	""	"458923859"	"162366983"	""	""	""	""	""	""	""	"1-(3,4-difluorophenyl)-2-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]oxy]ethanol"	""	""	"CC(C)(C)Oc1ccc(cc1)c1nnc2cncc(OCC(O)c3cc(F)c(F)cc3)n12"	"YXNHLRADFLNVIV-UHFFFAOYSA-N"	"InChI=1S/C23H22F2N4O3/c1-23(2,3)32-16-7-4-14(5-8-16)22-28-27-20-11-26-12-21(29(20)22)31-13-19(30)15-6-9-17(24)18(25)10-15/h4-12,19,30H,13H2,1-3H3"	""	"yes"	""
"13673"	"MMV367"	""	"Synthetic organic"	""	""	""	""	"507750307"	"138911340"	""	""	"CHEMBL5183058"	""	""	""	""	"[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[(2R)-2-hydroxy-3-(tetrazol-2-yl)propoxy]phenyl]methanone"	""	"GSK3772701|GSK701|MMV1582367"	"C1CN(C[C@H]1C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)OC[C@@H](CN4N=CN=N4)O"	"RMWYAYFMEWWLSK-PKOBYXMFSA-N"	"InChI=1S/C21H22FN5O3/c22-18-5-1-15(2-6-18)17-9-10-26(11-17)21(29)16-3-7-20(8-4-16)30-13-19(28)12-27-24-14-23-25-27/h1-8,14,17,19,28H,9-13H2/t17-,19+/m0/s1"	""	"yes"	""
"11704"	"MMV688533"	""	"Synthetic organic"	""	""	""	""	"442878730"	"137380252"	""	""	""	""	""	""	""	"5-[2-[3-(diaminomethylidenecarbamoyl)-5-(trifluoromethyl)phenyl]ethynyl]-N-pyridin-2-yl-2-(trifluoromethyl)benzamide"	""	"MMV533|SAR121|SAR441121"	"NC(=N)NC(=O)c1cc(C#Cc2ccc(c(c2)C(=O)Nc2ccccn2)C(F)(F)F)cc(c1)C(F)(F)F"	"GGTONGQHYUQSBR-UHFFFAOYSA-N"	"InChI=1S/C24H15F6N5O2/c25-23(26,27)16-10-14(9-15(12-16)20(36)35-22(31)32)5-4-13-6-7-18(24(28,29)30)17(11-13)21(37)34-19-3-1-2-8-33-19/h1-3,6-12H,(H,33,34,37)(H4,31,32,35,36)"	""	"yes"	""
"11466"	"MMV689258"	""	"Synthetic organic"	""	""	""	""	"440816835"	"155817524"	""	""	""	""	""	""	""	"(2S)-N-[(2R)-2-[3-(2-fluorophenyl)propanoylamino]propyl]-2,4-dihydroxy-3,3-dimethylbutanamide"	""	""	"OCC([C@@H](C(=O)NC[C@H](NC(=O)CCc1ccccc1F)C)O)(C)C"	"HCDITNRDWJWQAL-MLGOLLRUSA-N"	"InChI=1S/C18H27FN2O4/c1-12(10-20-17(25)16(24)18(2,3)11-22)21-15(23)9-8-13-6-4-5-7-14(13)19/h4-7,12,16,22,24H,8-11H2,1-3H3,(H,20,25)(H,21,23)/t12-,16-/m1/s1"	""	"yes"	""
"11796"	"MMV693183"	""	"Synthetic organic"	""	""	""	""	"458923831"	"153632137"	""	""	""	""	""	""	""	"N-[(2S)-1-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propan-2-yl]-2,4,5-trifluorobenzamide"	""	"MMV183"	"OCC([C@H](C(=O)NC[C@@H](NC(=O)c1cc(F)c(cc1F)F)C)O)(C)C"	"PRPWMPIRTLCTSC-SDBXPKJASA-N"	"InChI=1S/C16H21F3N2O4/c1-8(6-20-15(25)13(23)16(2,3)7-22)21-14(24)9-4-11(18)12(19)5-10(9)17/h4-5,8,13,22-23H,6-7H2,1-3H3,(H,20,25)(H,21,24)/t8-,13-/m0/s1"	""	"yes"	""
"11825"	"MMV897698"	""	"Synthetic organic"	""	""	""	""	"458923860"	"162345713"	""	""	""	""	""	""	""	"3-[4-(difluoromethoxy)phenyl]-5-(2-phenylethoxy)-[1,2,4]triazolo[4,3-a]pyrazine"	""	"compound 6 [PMID: 32678591]|OSM-S-369"	"FC(F)Oc1ccc(cc1)c1nnc2cncc(OCCc3ccccc3)n12"	"AVBCIJLYABLIRW-UHFFFAOYSA-N"	"InChI=1S/C20H16F2N4O2/c21-20(22)28-16-8-6-15(7-9-16)19-25-24-17-12-23-13-18(26(17)19)27-11-10-14-4-2-1-3-5-14/h1-9,12-13,20H,10-11H2"	""	"yes"	""
"6219"	"MNI-135"	""	"Synthetic organic"	""	""	""	""	"178102840"	"73755191"	""	""	""	""	""	""	""	"3-(8-iodo-5-oxo-3,4,5,6-tetrahydro-1,6-benzodiazocin-2-yl)benzonitrile"	""	"MNI 135"	"N#Cc1cccc(c1)C1=Nc2ccc(cc2NC(=O)CC1)I"	"SJYIGECDHTXFFG-XSFVSMFZSA-N"	"InChI=1S/C17H12IN3O/c18-13-4-5-15-16(9-13)21-17(22)7-6-14(20-15)12-3-1-2-11(8-12)10-19/h1-5,8-9H,6-7H2,(H,21,22)/b20-14+"	""	""	""
"6220"	"MNI-136"	""	"Synthetic organic"	""	""	""	""	"178102841"	"73755192"	""	""	""	""	""	""	""	"8-bromo-5-[3-(pyridin-4-yl)phenyl]-1,2,3,4-tetrahydro-1,6-benzodiazocin-2-one"	""	"MNI 136"	"O=C1CCC(=Nc2c(N1)ccc(c2)Br)c1cccc(c1)c1ccncc1"	"BLAQAVITPVXJJS-HKOYGPOVSA-N"	"InChI=1S/C21H16BrN3O/c22-17-4-5-19-20(13-17)24-18(6-7-21(26)25-19)16-3-1-2-15(12-16)14-8-10-23-11-9-14/h1-5,8-13H,6-7H2,(H,25,26)/b24-18+"	""	""	""
"6221"	"MNI-137"	""	"Synthetic organic"	""	""	""	""	"178102842"	"73755193"	""	""	""	""	""	""	""	"4-(8-bromo-5-oxo-3,4,5,6-tetrahydro-1,6-benzodiazocin-2-yl)pyridine-2-carbonitrile"	""	"MNI 137"	"N#Cc1nccc(c1)C1=Nc2ccc(cc2NC(=O)CC1)Br"	"JNLRDCDCGXPNKH-DEDYPNTBSA-N"	"InChI=1S/C16H11BrN4O/c17-11-1-2-14-15(8-11)21-16(22)4-3-13(20-14)10-5-6-19-12(7-10)9-18/h1-2,5-8H,3-4H2,(H,21,22)/b20-13+"	""	""	""
"6010"	"MNK1 inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102632"	"11644425"	""	""	"CHEMBL1240885"	""	""	""	""	"3-N-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine"	""	"CGP 57380|CGP-57380"	"Fc1ccc(cc1)Nc1[nH]nc2c1c(N)ncn2"	"UQPMANVRZYYQMD-UHFFFAOYSA-N"	"InChI=1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)"	""	""	""
"13496"	"mobinitinib"	""	"Synthetic organic"	""	""	""	""	"500839906"	"71454279"	""	""	"CHEMBL2207503"	""	""	""	""	"6-chloro-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine"	"mobinitinib"	"CCT-241736|CCT241736"	"CC1=NN(C=C1C2=NC3=NC=C(C(=C3N2)N4CCN(CC4)CC5=CC=C(C=C5)Cl)Cl)C"	"AKJBLKUZXRMECW-UHFFFAOYSA-N"	"InChI=1S/C22H23Cl2N7/c1-14-17(13-29(2)28-14)21-26-19-20(18(24)11-25-22(19)27-21)31-9-7-30(8-10-31)12-15-3-5-16(23)6-4-15/h3-6,11,13H,7-10,12H2,1-2H3,(H,25,26,27)"	""	""	""
"10468"	"mobocertinib"	""	"Synthetic organic"	"yes"	""	""	""	"385612228"	"118607832"	""	""	""	""	""	""	""	"propan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate"	"mobocertinib"	"AP32788|example 94 [WO2015195228A1]|Exkivity&reg;|TAK-788|TAK788"	"C=CC(=O)Nc1cc(Nc2ncc(c(n2)c2cn(c3c2cccc3)C)C(=O)OC(C)C)c(cc1N(CCN(C)C)C)OC"	"AZSRSNUQCUDCGG-UHFFFAOYSA-N"	"InChI=1S/C32H39N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36)"	""	""	""
"13499"	"mocaciclib"	""	"Synthetic organic"	""	""	""	""	"500839909"	"156358323"	""	""	""	""	""	""	""	"2-fluoro-N-[1-[2-[[[2-[[(3R,4R)-3-hydroxypiperidin-4-yl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]isoquinolin-6-yl]prop-2-enamide"	"mocaciclib"	"compound 64 [WO2019197546A1]"	"CC(C)C1=C2N=C(N=C(N2N=C1)NCC3=CC=CC=C3C4=NC=CC5=C4C=CC(=C5)NC(=O)C(=C)F)NC[C@H]6CCNC[C@@H]6O"	"PDKSTEKFCWNJFC-LXFBAYGMSA-N"	"InChI=1S/C33H36FN9O2/c1-19(2)27-17-39-43-30(27)41-32(37-16-23-10-12-35-18-28(23)44)42-33(43)38-15-22-6-4-5-7-25(22)29-26-9-8-24(40-31(45)20(3)34)14-21(26)11-13-36-29/h4-9,11,13-14,17,19,23,28,35,44H,3,10,12,15-16,18H2,1-2H3,(H,40,45)(H2,37,38,41,42)/t23-,28+/m1/s1"	""	""	""
"7008"	"mocetinostat"	""	"Synthetic organic"	""	""	""	""	"178103587"	"9865515"	""	""	"CHEMBL272980"	""	""	""	""	"N-(2-aminophenyl)-4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzamide"	"mocetinostat"	"MGCD0103"	"O=C(c1ccc(cc1)CNc1nccc(n1)c1cccnc1)Nc1ccccc1N"	"HRNLUBSXIHFDHP-UHFFFAOYSA-N"	"InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)"	""	""	""
"7428"	"moclobemide"	""	"Synthetic organic"	"yes"	""	""	""	"178104000"	"4235"	""	""	"CHEMBL86304"	""	""	""	""	"4-chloro-N-(2-morpholin-4-ylethyl)benzamide"	"moclobemide"	"GNF-Pf-695|Manerix&reg;"	"O=C(c1ccc(cc1)Cl)NCCN1CCOCC1"	"YHXISWVBGDMDLQ-UHFFFAOYSA-N"	"InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)"	""	""	""
"9727"	"mocravimod"	""	"Synthetic organic"	""	""	""	""	"354702203"	"11155874"	""	""	"CHEMBL2137148"	""	""	""	""	"2-Amino-2-(2-(2-chloro-4-(3-benzyloxyphenylthio)phenyl)ethyl)-1,3-propanediol"	"mocravimod"	"compound 2 [PMID: 23124563]|KRP-203|KRP203"	"OCC(CCc1ccc(cc1Cl)Sc1cccc(c1)OCc1ccccc1)(CO)N"	"IINUNQPYJGJCJI-UHFFFAOYSA-N"	"InChI=1S/C24H26ClNO3S/c25-23-14-22(10-9-19(23)11-12-24(26,16-27)17-28)30-21-8-4-7-20(13-21)29-15-18-5-2-1-3-6-18/h1-10,13-14,27-28H,11-12,15-17,26H2"	"yes"	""	""
"2923"	"mocravimod-phosphate"	""	"Synthetic organic"	""	""	""	""	"135650459"	"56947075"	""	""	""	""	""	""	""	"[2-amino-2-(2-{2-chloro-4-[(3-phenoxyphenyl)sulfanyl]phenyl}ethyl)-3-hydroxypropoxy]phosphonic acid"	""	"KRP 203-phosphate|KRP203-phosphate"	"OCC(COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cccc(c1)Oc1ccccc1)N"	"BZVUYJGCYLMFGX-UHFFFAOYSA-N"	"InChI=1S/C23H25ClNO6PS/c24-22-14-21(10-9-17(22)11-12-23(25,15-26)16-30-32(27,28)29)33-20-8-4-7-19(13-20)31-18-5-2-1-3-6-18/h1-10,13-14,26H,11-12,15-16,25H2,(H2,27,28,29)"	"yes"	""	""
"7555"	"modafinil"	""	"Synthetic organic"	"yes"	""	""	""	"223365891"	"4236"	""	""	"CHEMBL1373"	""	""	""	""	"2-[di(phenyl)methylsulfinyl]acetamide"	"modafinil"	"Provigil&reg;"	"NC(=O)CS(=O)C(c1ccccc1)c1ccccc1"	"YFGHCGITMMYXAQ-UHFFFAOYSA-N"	"InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)"	""	""	""
"13000"	"modithromycin"	""	"Synthetic organic"	""	""	""	""	"485206121"	"139032949"	""	""	"CHEMBL263886"	""	""	""	""	"N-[(1R,2R,3R,5R,8R,9R,10R,13E,17R,19S)-2-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-9-hydroxy-1,3,5,9,17,19-hexamethyl-4,6-dioxo-13-[(6-pyrazol-1-ylpyridin-3-yl)methoxyimino]-7,11,15-trioxabicyclo[8.5.4]nonadecan-18-ylidene]acetamide"	"modithromycin"	"EDP-420|EP-013420|S-013420"	"CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]3(C)C[C@@H](C)/C(=N\C(C)=O)/[C@H](C)[C@@H](OC/C(=N\OCC4=CC=C(N5C=CC=N5)N=C4)/CO3)[C@]1(C)O"	"WLGSYOKBEDVHQB-XSKCQLPHSA-N"	"InChI=1S/C43H64N6O11/c1-12-33-43(9,54)39-26(4)35(46-29(7)50)24(2)19-42(8,56-23-31(22-55-39)47-57-21-30-14-15-34(44-20-30)49-17-13-16-45-49)38(27(5)36(51)28(6)40(53)59-33)60-41-37(52)32(48(10)11)18-25(3)58-41/h13-17,20,24-28,32-33,37-39,41,52,54H,12,18-19,21-23H2,1-11H3/b46-35+,47-31+/t24-,25-,26+,27+,28-,32+,33-,37-,38-,39-,41+,42-,43-/m1/s1"	""	""	"yes"
"14051"	"modzatinib"	""	"Synthetic organic"	""	""	""	""	"518520678"	"14634390"	""	""	""	""	""	""	""	""	"modzatinib"	"ATI-2138|ATI2138|com[pound 49 [US12297203B2]"	"C[C@H]1CC[C@H](CN1C(=O)C=C)NC2=NC=NC3=C2C(=CN3)[C@H]4CC4(F)F"	"KULMFWJHZABAFA-DMDPSCGWSA-N"	"InChI=1S/C18H21F2N5O/c1-3-14(26)25-8-11(5-4-10(25)2)24-17-15-12(13-6-18(13,19)20)7-21-16(15)22-9-23-17/h3,7,9-11,13H,1,4-6,8H2,2H3,(H2,21,22,23,24)/t10-,11+,13+/m0/s1"	""	""	""
"6571"	"moexipril"	""	"Synthetic organic"	"yes"	""	""	""	"178103185"	"91270"	""	""	"CHEMBL1165"	""	""	""	""	"(3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid"	"moexipril"	"RS-10085|SPM-925|Univasc&reg;"	"CCOC(=O)[C@@H](N[C@H](C(=O)N1Cc2cc(OC)c(cc2C[C@H]1C(=O)O)OC)C)CCc1ccccc1"	"UWWDHYUMIORJTA-HSQYWUDLSA-N"	"InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21-,22-/m0/s1"	""	""	""
"6572"	"moexiprilat"	""	"Synthetic organic"	"yes"	""	""	""	"178103186"	"55331"	""	""	"CHEMBL1201405"	""	""	""	""	"(3S)-2-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid"	"moexiprilat"	"RS-10029"	"COc1cc2C[C@@H](C(=O)O)N(Cc2cc1OC)C(=O)[C@@H](N[C@H](C(=O)O)CCc1ccccc1)C"	"CMPAGYDKASJORH-YSSFQJQWSA-N"	"InChI=1S/C25H30N2O7/c1-15(26-19(24(29)30)10-9-16-7-5-4-6-8-16)23(28)27-14-18-13-22(34-3)21(33-2)12-17(18)11-20(27)25(31)32/h4-8,12-13,15,19-20,26H,9-11,14H2,1-3H3,(H,29,30)(H,31,32)/t15-,19-,20-/m0/s1"	""	""	""
"9754"	"mofegiline"	""	"Synthetic organic"	""	""	""	""	"354702227"	"6437850"	""	""	"CHEMBL489079"	""	""	""	""	"(2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine"	"mofegiline"	"MDL 72974|MDL-72,974|MDL-72974A"	"NC/C(=C/F)/CCc1ccc(cc1)F"	"VXLBSYHAEKDUSU-JXMROGBWSA-N"	"InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+"	"yes"	""	""
"6477"	"mogamulizumab"	""	"Antibody"	"yes"	""	""	""	"178103091"	"0"	""	""	""	""	""	""	""	""	"mogamulizumab"	"KW-0761|mogamulizumab-kpkc|Poteligeo&reg;"	""	""	""	"yes"	""	""
"13922"	"moiramide B"	""	"Natural product"	""	""	""	""	"513757607"	"11744644"	""	""	"CHEMBL181839"	""	""	""	""	"(2E,4E)-N-[(1S)-3-[[(2S)-3-methyl-1-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-1-oxobutan-2-yl]amino]-3-oxo-1-phenylpropyl]hexa-2,4-dienamide"	""	""	"C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@@H](C(C)C)C(=O)[C@H]1[C@@H](C(=O)NC1=O)C)C2=CC=CC=C2"	"WMLLJSBRSSYYPT-PQUJRENYSA-N"	"InChI=1S/C25H31N3O5/c1-5-6-8-13-19(29)26-18(17-11-9-7-10-12-17)14-20(30)27-22(15(2)3)23(31)21-16(4)24(32)28-25(21)33/h5-13,15-16,18,21-22H,14H2,1-4H3,(H,26,29)(H,27,30)(H,28,32,33)/b6-5+,13-8+/t16-,18-,21+,22-/m0/s1"	""	""	"yes"
"7033"	"molibresib"	""	"Synthetic organic"	""	""	""	""	"178103612"	"46943432"	""	""	"CHEMBL1232461"	""	""	""	""	"2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide"	"molibresib"	"CS-0717|GSK 525762A|GSK-525762|GSK525762|I-BET-762|I-BET762"	"CCNC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC"	"AAAQFGUYHFJNHI-SFHVURJKSA-N"	"InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1"	"yes"	""	""
"8456"	"molidustat"	""	"Synthetic organic"	""	""	""	""	"252166666"	"59603622"	""	""	""	""	""	""	""	"2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one"	"molidustat"	"BAY 85-3934|BAY-853934|BAY85-3934"	"O=c1n([nH]cc1n1ccnn1)c1ncnc(c1)N1CCOCC1"	"IJMBOKOTALXLKS-UHFFFAOYSA-N"	"InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2"	""	""	""
"207"	"molindone"	""	"Synthetic organic"	"yes"	""	""	""	"135650621"	"23897"	""	""	"CHEMBL460"	""	""	""	""	"3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one"	"molindone"	"(+-)-molindone|EN-1733A|Moban&reg;"	"CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1"	"KLPWJLBORRMFGK-UHFFFAOYSA-N"	"InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3"	""	""	""
"10737"	"molnupiravir"	""	"Synthetic organic"	"yes"	""	""	""	"405067330"	"145996610"	""	""	""	""	""	""	""	""	""	"EIDD-2801|EIDD2801|Lagevrio&reg;|MK-4482|MK4482"	"ONc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COC(=O)C(C)C"	"HTNPEHXGEKVIHG-QCNRFFRDSA-N"	"InChI=1S/C13H19N3O7/c1-6(2)12(19)22-5-7-9(17)10(18)11(23-7)16-4-3-8(15-21)14-13(16)20/h3-4,6-7,9-11,17-18,21H,5H2,1-2H3,(H,14,15,20)/t7-,9-,10-,11-/m1/s1"	""	""	""
"14212"	"MOMA-341"	""	"Synthetic organic"	""	""	""	""	"521588852"	"176317256"	""	""	""	""	""	""	""	"1-[(5aR)-5-[[4-amino-5-fluoro-6-(trifluorom2-ethyl)-3-pyridinyl]carbonyl]-2-(4-cyclopropyl-2-hydroxyphenyl)-2,3,4,5,5a,6,8,9-octahydro-7H-1,2,5,7-tetraazabenz[cd]azulen-7-yl]-propen-1-one"	""	"compound 194A [WO2025054488]|MOMA341"	"NC1=C(C=NC(=C1F)C(F)(F)F)C(=O)N2CCC3=C4[C@@H]2CN(CCC4=NN3C5=C(O)C=C(C=C5)C6CC6)C(=O)C=C"	"XGLVNFVYNNRPRE-FQEVSTJZSA-N"	"InChI=1S/C28H26F4N6O3/c1-2-22(40)36-9-7-17-23-19(38(35-17)18-6-5-15(11-21(18)39)14-3-4-14)8-10-37(20(23)13-36)27(41)16-12-34-26(28(30,31)32)24(29)25(16)33/h2,5-6,11-12,14,20,39H,1,3-4,7-10,13H2,(H2,33,34)/t20-/m0/s1"	""	""	""
"7791"	"momelotinib"	""	"Synthetic organic"	"yes"	""	""	""	"223366122"	"25062766"	""	""	"CHEMBL1078178"	""	""	""	""	"N-(cyanomethyl)-4-(2-((4-morpholinophenyl)amino)pyrimidin-4-yl)benzamide"	"momelotinib"	"CYT-387|CYT387|GS-0387|GS0387|Ojjaara&reg;|Omjjara&reg;"	"N#CCNC(=O)c1ccc(cc1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1"	"ZVHNDZWQTBEVRY-UHFFFAOYSA-N"	"InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)"	""	""	""
"9029"	"mometasone"	""	"Synthetic organic"	"yes"	""	""	""	"315661114"	"441335"	""	""	"CHEMBL1201404"	""	""	""	""	"(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"	"mometasone"	"Elocon&reg; (topical)|Nasonex&reg;"	"ClCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl"	"QLIIKPVHVRXHRI-CXSFZGCWSA-N"	"InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1"	"yes"	""	""
"8323"	"monalizumab"	""	"Antibody"	""	""	""	""	"252166535"	"0"	""	""	""	""	""	""	""	""	"monalizumab"	"humZ270|IPH-2201|NN8765-3658"	""	""	""	"yes"	""	""
"14126"	"monensin"	""	"Natural product"	""	""	""	""	"518520753"	"441145"	""	""	"CHEMBL256105"	""	""	""	""	"(2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid"	"monensin"	"monensic acid"	"CC[C@]1(CC[C@@H](O1)[C@@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)O)OC)C)O)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C"	"GAOZTHIDHYLHMS-KEOBGNEYSA-N"	"InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1"	""	""	"yes"
"8277"	"mongersen"	""	"Nucleic acid"	""	""	""	""	"252166489"	"121490254"	""	""	"CHEMBL3707383"	""	""	""	""	"2'-deoxy-P-thio-guanylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-2'-deoxy-5-methyl-P-thio-cytidylyl-(3'->5')-2'-deoxy-P-thio-guanylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-2'-deoxy-5-methyl-P-thio-cytidylyl-(3'->5')-2'-deoxy-P-thio-guanylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-2'-deoxy-P-thio-adenylyl-(3'->5')-2'-deoxy-P-thio-guanylyl-(3'->5')-2'-deoxy-cytidine"	"mongersen"	"DNA, d(P-thio)(G-T-m5C-G-C-C-C-C-T-T-C-T-C-C-C-m5C-G-C-A-G-C)|GED-0301|GED0301"	"CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=NC5=C4N=C(NC5=O)N)OP(=S)(O)OC[C@@H]6[C@H](C[C@@H](O6)N7C=C(C(=NC7=O)N)C)OP(=S)(O)OC[C@@H]8[C@H](C[C@@H](O8)N9C=NC%10=C9N=C(NC%10=O)N)OP(=S)(O)OC[C@@H]%11[C@H](C[C@@H](O%11)N%12C=CC(=NC%12=O)N)OP(=S)(O)OC[C@@H]%13[C@H](C[C@@H](O%13)N%14C=CC(=NC%14=O)N)OP(=S)(O)OC[C@@H]%15[C@H](C[C@@H](O%15)N%16C=CC(=NC%16=O)N)OP(=S)(O)OC[C@@H]%17[C@H](C[C@@H](O%17)N%18C=CC(=NC%18=O)N)OP(=S)(O)OC[C@@H]%19[C@H](C[C@@H](O%19)N%20C=C(C(=O)NC%20=O)C)OP(=S)(O)OC[C@@H]%21[C@H](C[C@@H](O%21)N%22C=C(C(=O)NC%22=O)C)OP(=S)(O)OC[C@@H]%23[C@H](C[C@@H](O%23)N%24C=CC(=NC%24=O)N)OP(=S)(O)OC[C@@H]%25[C@H](C[C@@H](O%25)N%26C=C(C(=O)NC%26=O)C)OP(=S)(O)OC[C@@H]%27[C@H](C[C@@H](O%27)N%28C=CC(=NC%28=O)N)OP(=S)(O)OC[C@@H]%29[C@H](C[C@@H](O%29)N%30C=CC(=NC%30=O)N)OP(=S)(O)OC[C@@H]%31[C@H](C[C@@H](O%31)N%32C=CC(=NC%32=O)N)OP(=S)(O)OC[C@@H]%33[C@H](C[C@@H](O%33)N%34C=C(C(=NC%34=O)N)C)OP(=S)(O)OC[C@@H]%35[C@H](C[C@@H](O%35)N%36C=NC%37=C%36N=C(NC%37=O)N)OP(=S)(O)OC[C@@H]%38[C@H](C[C@@H](O%38)N%39C=CC(=NC%39=O)N)OP(=S)(O)OC[C@@H]%40[C@H](C[C@@H](O%40)N%41C=NC%42=C(N=CN=C%42%41)N)OP(=S)(O)OC[C@@H]%43[C@H](C[C@@H](O%43)N%44C=NC%45=C%44N=C(NC%45=O)N)OP(=S)(O)OC[C@@H]%46[C@H](C[C@@H](O%46)N%47C=CC(=NC%47=O)N)O"	"ABASMUXUCSQFKC-PKEKLUKKSA-N"	"InChI=1S/C200H261N69O107P20S20/c1-81-48-259(195(290)235-165(81)211)149-38-98(367-392(311,412)333-73-127-107(47-159(355-127)269-80-224-164-172(269)240-184(217)244-180(164)279)376-395(314,415)326-64-118-97(37-148(346-118)258-26-16-138(210)234-194(258)289)366-387(306,407)332-71-125-104(44-155(353-125)265-76-220-160-167(213)218-75-219-168(160)265)374-396(315,416)335-72-126-105(45-157(354-126)267-78-222-162-170(267)238-182(215)242-178(162)277)373-377(296,397)316-55-109-87(271)27-139(337-109)249-17-7-129(201)225-185(249)280)119(347-149)66-327-384(303,404)363-94-34-145(255-23-13-135(207)231-191(255)286)341-113(94)59-321-380(299,400)359-91-31-142(252-20-10-132(204)228-188(252)283)339-111(91)57-319-382(301,402)361-92-32-143(253-21-11-133(205)229-189(253)284)343-115(92)61-323-388(307,408)369-101-41-152(262-51-84(4)174(273)246-198(262)293)350-122(101)68-328-386(305,406)365-96-36-147(257-25-15-137(209)233-193(257)288)344-116(96)62-324-389(308,409)370-102-42-153(263-52-85(5)175(274)247-199(263)294)352-124(102)70-331-391(310,411)372-103-43-154(264-53-86(6)176(275)248-200(264)295)351-123(103)69-329-385(304,405)364-95-35-146(256-24-14-136(208)232-192(256)287)342-114(95)60-322-381(300,401)360-90-30-141(251-19-9-131(203)227-187(251)282)338-110(90)56-318-379(298,399)358-89-29-140(250-18-8-130(202)226-186(250)281)340-112(89)58-320-383(302,403)362-93-33-144(254-22-12-134(206)230-190(254)285)345-117(93)63-325-394(313,414)375-106-46-158(268-79-223-163-171(268)239-183(216)243-179(163)278)356-128(106)74-334-393(312,413)368-99-39-150(260-49-82(2)166(212)236-196(260)291)348-120(99)67-330-390(309,410)371-100-40-151(261-50-83(3)173(272)245-197(261)292)349-121(100)65-317-378(297,398)357-88-28-156(336-108(88)54-270)266-77-221-161-169(266)237-181(214)241-177(161)276/h7-26,48-53,75-80,87-128,139-159,270-271H,27-47,54-74H2,1-6H3,(H,296,397)(H,297,398)(H,298,399)(H,299,400)(H,300,401)(H,301,402)(H,302,403)(H,303,404)(H,304,405)(H,305,406)(H,306,407)(H,307,408)(H,308,409)(H,309,410)(H,310,411)(H,311,412)(H,312,413)(H,313,414)(H,314,415)(H,315,416)(H2,201,225,280)(H2,202,226,281)(H2,203,227,282)(H2,204,228,283)(H2,205,229,284)(H2,206,230,285)(H2,207,231,286)(H2,208,232,287)(H2,209,233,288)(H2,210,234,289)(H2,211,235,290)(H2,212,236,291)(H2,213,218,219)(H,245,272,292)(H,246,273,293)(H,247,274,294)(H,248,275,295)(H3,214,237,241,276)(H3,215,238,242,277)(H3,216,239,243,278)(H3,217,240,244,279)/t87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,155+,156+,157+,158+,159+,377?,378?,379?,380?,381?,382?,383?,384?,385?,386?,387?,388?,389?,390?,391?,392?,393?,394?,395?,396?/m0/s1"	"yes"	""	""
"13717"	"monlunabant"	""	"Synthetic organic"	""	""	""	""	"507750351"	"164888943"	""	""	""	""	""	""	""	"N-[(E)-N'-[(Z)-C-[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylcarbonimidoyl]carbamimidoyl]acetamide"	"monlunabant"	"(S)-MRI-1891|INV-202|MRI-1891"	"CC(=O)N/C(=N/C(=N/S(=O)(=O)C1=CC=C(C=C1)C(F)(F)F)/N2C[C@@H](C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)/N"	"GYJPQNPVIJXXTA-JOCHJYFZSA-N"	"InChI=1S/C26H22ClF3N6O3S/c1-16(37)32-24(31)33-25(35-40(38,39)21-13-9-19(10-14-21)26(28,29)30)36-15-22(17-5-3-2-4-6-17)23(34-36)18-7-11-20(27)12-8-18/h2-14,22H,15H2,1H3,(H3,31,32,33,35,37)/t22-/m1/s1"	""	""	""
"12258"	"MONNA"	""	"Synthetic organic"	""	""	""	""	"473153846"	"72165188"	""	""	"CHEMBL4086165"	""	""	""	""	"2-[(4-methoxynaphthalen-2-yl)amino]-5-nitrobenzoic acid"	""	"compound 3 [PMID: 28493701]"	"COc1cc(cc2ccccc12)Nc1c(C(=O)O)cc(cc1)[N+](=O)[O-]"	"JIVRLHBAUUZTNC-UHFFFAOYSA-N"	"InChI=1S/C18H14N2O5/c1-25-17-9-12(8-11-4-2-3-5-14(11)17)19-16-7-6-13(20(23)24)10-15(16)18(21)22/h2-10,19H,1H3,(H,21,22)"	""	""	""
"6830"	"monobenzone"	""	"Synthetic organic"	"yes"	""	""	""	"178103436"	"7638"	""	""	"CHEMBL1388"	""	""	""	""	"4-(benzyloxy)phenol"	"monobenzone"	"p-benzyloxyphenol"	"Oc1ccc(cc1)OCc1ccccc1"	"VYQNWZOUAUKGHI-UHFFFAOYSA-N"	"InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2"	""	""	""
"5786"	"monomethyl fumarate"	""	"Synthetic organic"	""	""	""	""	"178102411"	"5369209"	""	""	"CHEMBL589586"	""	""	""	""	"4-methoxy-4-oxobut-2-enoic acid"	"monomethyl fumarate"	"methyl hydrogen fumarate"	"COC(=O)/C=C/C(=O)O"	"NKHAVTQWNUWKEO-NSCUHMNNSA-N"	"InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+"	"yes"	""	""
"3340"	"montelukast"	""	"Synthetic organic"	"yes"	""	""	""	"178100370"	"5281040"	""	""	"CHEMBL787"	""	""	""	""	"2-[1-({[(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl}methyl)cyclopropyl]acetic acid"	"montelukast"	"Singulair&reg;"	"OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1"	"UCHDWCPVSPXUMX-TZIWLTJVSA-N"	"InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1"	"yes"	""	""
"11746"	"monzosertib"	""	"Synthetic organic"	""	""	""	""	"458923781"	"136338211"	""	""	""	""	""	""	""	"ethyl 4-hydroxy-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]amino]furan-3-carboxylate"	"monzosertib"	"AS-0141|AS0141|compound 24 [PMID: 34607435]"	"FC(F)(F)CN1CCN(NC2=C(C(=O)OCC)C(=O)/C(=C/c3c[nH]c4c3cccn4)/O2)CC1"	"DNTVXDZWVOVLOD-GDNBJRDFSA-N"	"InChI=1S/C21H22F3N5O4/c1-2-32-20(31)16-17(30)15(10-13-11-26-18-14(13)4-3-5-25-18)33-19(16)27-29-8-6-28(7-9-29)12-21(22,23)24/h3-5,10-11,27H,2,6-9,12H2,1H3,(H,25,26)/b15-10-"	""	""	""
"13466"	"moracin M"	""	"Natural product"	""	""	""	""	"500839876"	"185848"	""	""	"CHEMBL512578"	""	""	""	""	"5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol"	""	""	"C1=CC2=C(C=C1O)OC(=C2)C3=CC(=CC(=C3)O)O"	"LHPRYOJTASOZGJ-UHFFFAOYSA-N"	"InChI=1S/C14H10O4/c15-10-2-1-8-5-13(18-14(8)7-10)9-3-11(16)6-12(17)4-9/h1-7,15-17H"	""	""	""
"7244"	"moracizine"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103818"	"34633"	""	""	"CHEMBL1075"	""	""	""	""	"N-{10-[3-(morpholin-4-yl)propanoyl]-10H-phenothiazin-2-yl}ethoxycarboximidic acid"	"moracizine"	"EN-313|Ethmozine&reg;|moricizine"	"CCOC(=Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1c(S2)cccc1)O"	"FUBVWMNBEHXPSU-UHFFFAOYSA-N"	"InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)"	""	""	""
"411"	"morin"	""	"Natural product"	""	""	""	""	"135650623"	"5281670"	""	""	"CHEMBL28626"	""	""	""	""	"2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one"	""	"aurantica|calico yellow|toxylon pomiferum"	"Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O"	"YXOLAZRVSSWPPT-UHFFFAOYSA-N"	"InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H"	""	""	""
"6473"	"morphanthridine"	""	"Synthetic organic"	""	""	""	""	"178103087"	"10878016"	""	""	"CHEMBL1085101"	""	""	""	""	"11H-benzo[c][1]benzazepine"	""	""	"c1ccc2c(c1)Cc1ccccc1C=N2"	"IDWNSAXOQLJYOF-UHFFFAOYSA-N"	"InChI=1S/C14H11N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-8,10H,9H2"	""	""	""
"1627"	"morphine"	""	"Natural product"	"yes"	""	""	""	"135650624"	"5288826"	""	""	"CHEMBL70"	""	""	""	""	"(1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18),15-tetraene-10,14-diol"	""	"morphine sulfate|Ms Contin&reg;|Oramorph&reg;"	"O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O"	"BQJCRHHNABKAKU-KBQPJGBKSA-N"	"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1"	""	""	""
"242"	"mosapride"	""	"Synthetic organic"	"yes"	""	""	""	"135650625"	"119584"	""	""	"CHEMBL60889"	""	""	""	""	"4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide"	"mosapride"	""	"CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl"	"YPELFRMCRYSPKZ-UHFFFAOYSA-N"	"InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)"	""	""	""
"9771"	"mosedipimod"	""	"Synthetic organic"	""	""	""	""	"354702244"	"9960925"	""	""	""	""	""	""	""	"(1-acetyloxy-3-hexadecanoyloxypropan-2-yl) (9Z,12Z)-octadeca-9,12-dienoate"	"mosedipimod"	"EC-18|Plag, (+/-)"	"CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)C"	"GAKUNXBDVGLOFS-UHFFFAOYSA-N"	"InChI=1S/C39H70O6/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-39(42)45-37(34-43-36(3)40)35-44-38(41)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h12,14,18-19,37H,4-11,13,15-17,20-35H2,1-3H3"	"yes"	""	""
"14619"	"mosipasertib"	""	"Synthetic organic"	""	""	""	""	"530846867"	"121276198"	""	""	""	""	""	""	""	""	"mosipasertib"	"ATRN-119|ATRN119|compound P(4) [US20170226130]"	"C1=2NC(=O)C=3C(N)=NC=C(C=4C=CC(S(=O)(N(CCOCCOCCOC1=C(CNC)C=CC2)C)=O)=CC4)N3"	"UEOXMKFLURTGRW-UHFFFAOYSA-N"	"InChI=1S/C26H32N6O6S/c1-28-16-19-4-3-5-21-24(19)38-15-14-37-13-12-36-11-10-32(2)39(34,35)20-8-6-18(7-9-20)22-17-29-25(27)23(30-22)26(33)31-21/h3-9,17,28H,10-16H2,1-2H3,(H2,27,29)(H,31,33)"	""	""	""
"13500"	"mosperafenib"	""	"Synthetic organic"	""	""	""	""	"500839910"	"156473463"	""	""	""	""	""	""	""	"(3R)-N-[2-cyano-4-fluoro-3-(3-methyl-4-oxoquinazolin-6-yl)oxyphenyl]-3-fluoropyrrolidine-1-sulfonamide"	"mosperafenib"	"Example 7 [WO2021116050]|RG-6344|RG6344"	"CN1C=NC2=C(C1=O)C=C(C=C2)OC3=C(C=CC(=C3C#N)NS(=O)(=O)N4CC[C@H](C4)F)F"	"ZUXPFTYMSHPRQX-GFCCVEGCSA-N"	"InChI=1S/C20H17F2N5O4S/c1-26-11-24-17-4-2-13(8-14(17)20(26)28)31-19-15(9-23)18(5-3-16(19)22)25-32(29,30)27-7-6-12(21)10-27/h2-5,8,11-12,25H,6-7,10H2,1H3/t12-/m1/s1"	""	""	""
"12298"	"mosunetuzumab"	""	"Antibody"	"yes"	""	""	""	"479821089"	"0"	""	""	""	""	""	""	""	""	"mosunetuzumab"	"BTCT4465A|CD20-TDB|Lunsumio&reg;|mosunetuzumab-axgb|RG-7828|RO7030816"	""	""	""	""	""	""
"5660"	"motesanib"	""	"Synthetic organic"	""	""	""	""	"178102288"	"11667893"	""	""	"CHEMBL572881"	""	""	""	""	"N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide"	"motesanib"	"AMG 706|AMG-706"	"O=C(c1cccnc1NCc1ccncc1)Nc1ccc2c(c1)NCC2(C)C"	"RAHBGWKEPAQNFF-UHFFFAOYSA-N"	"InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)"	""	""	""
"1459"	"motilin"	"Rabbit"	"Peptide"	""	""	""	""	"135652294"	"155817407"	"P27114"	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C)O"	"JVCLVMOMYGJGII-PIRXSRGKSA-N"	"InChI=1S/C122H189N39O35S/c1-9-63(6)96(159-114(191)87-29-20-49-161(87)117(194)95(62(4)5)158-98(175)70(123)52-65-21-12-10-13-22-65)115(192)155-83(53-66-23-14-11-15-24-66)112(189)160-97(64(7)163)116(193)156-82(54-67-30-32-69(164)33-31-67)110(187)157-86(59-162)113(190)151-79(38-43-94(173)174)107(184)153-81(51-61(2)3)109(186)150-76(35-40-89(125)166)103(180)144-73(27-18-47-138-121(131)132)101(178)152-80(44-50-197-8)108(185)147-75(34-39-88(124)165)104(181)149-78(37-42-93(171)172)106(183)145-72(26-17-46-137-120(129)130)100(177)148-77(36-41-92(169)170)105(182)146-74(28-19-48-139-122(133)134)102(179)154-84(56-90(126)167)111(188)143-71(25-16-45-136-119(127)128)99(176)140-58-91(168)142-85(118(195)196)55-68-57-135-60-141-68/h10-15,21-24,30-33,57,60-64,70-87,95-97,162-164H,9,16-20,25-29,34-56,58-59,123H2,1-8H3,(H2,124,165)(H2,125,166)(H2,126,167)(H,135,141)(H,140,176)(H,142,168)(H,143,188)(H,144,180)(H,145,183)(H,146,182)(H,147,185)(H,148,177)(H,149,181)(H,150,186)(H,151,190)(H,152,178)(H,153,184)(H,154,179)(H,155,192)(H,156,193)(H,157,187)(H,158,175)(H,159,191)(H,160,189)(H,169,170)(H,171,172)(H,173,174)(H,195,196)(H4,127,128,136)(H4,129,130,137)(H4,131,132,138)(H4,133,134,139)/t63-,64+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,95-,96-,97-/m0/s1"	""	""	""
"1458"	"motilin"	"Human, Pig"	"Peptide"	""	""	""	""	"135651809"	"16136567"	"P01307|P12872"	"ENSG00000096395"	"CHEMBL525634"	""	""	""	""	""	""	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCC(=O)N)CCCCN)CC(=O)N)CCCNC(=N)N)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccccc1)N)Cc1ccccc1)Cc1ccc(cc1)O)CCC(=O)O)CC(C)C)CCC(=O)N)CCCNC(=N)N)CCSC)CCC(=O)N)CCC(=O)O"	"LVRVABPNVHYXRT-BQWXUCBYSA-N"	"InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)/t64-,65+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,96-,97-,98-/m0/s1"	""	""	""
"1457"	"motilin"	"Dog"	"Peptide"	""	""	""	""	"135652293"	"155817406"	"P19863"	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O"	"UXNMKJPZQNQTMI-CSRYRKIZSA-N"	"InChI=1S/C120H194N36O34/c1-10-64(7)95(114(185)146-75(35-25-51-134-120(130)131)101(172)143-77(39-44-91(163)164)104(175)139-72(32-19-22-48-122)100(171)142-78(40-45-92(165)166)105(176)141-74(34-24-50-133-119(128)129)102(173)148-84(57-89(127)161)110(181)138-71(31-18-21-47-121)99(170)135-59-90(162)137-80(118(189)190)38-43-88(126)160)153-107(178)73(33-20-23-49-123)140-103(174)76(37-42-87(125)159)144-108(179)81(53-62(3)4)147-106(177)79(41-46-93(167)168)145-112(183)85(60-157)151-109(180)83(56-69-58-132-61-136-69)150-116(187)97(66(9)158)155-111(182)82(55-68-29-16-13-17-30-68)149-115(186)96(65(8)11-2)154-113(184)86-36-26-52-156(86)117(188)94(63(5)6)152-98(169)70(124)54-67-27-14-12-15-28-67/h12-17,27-30,58,61-66,70-86,94-97,157-158H,10-11,18-26,31-57,59-60,121-124H2,1-9H3,(H2,125,159)(H2,126,160)(H2,127,161)(H,132,136)(H,135,170)(H,137,162)(H,138,181)(H,139,175)(H,140,174)(H,141,176)(H,142,171)(H,143,172)(H,144,179)(H,145,183)(H,146,185)(H,147,177)(H,148,173)(H,149,186)(H,150,187)(H,151,180)(H,152,169)(H,153,178)(H,154,184)(H,155,182)(H,163,164)(H,165,166)(H,167,168)(H,189,190)(H4,128,129,133)(H4,130,131,134)/t64-,65-,66+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,94-,95-,96-,97-/m0/s1"	""	""	""
"1460"	"motilin-(1-11) (human)"	""	"Peptide"	""	""	""	""	"135652295"	"155817408"	""	""	""	""	""	""	""	""	""	"motilin<sub>1-11</sub> (human)"	"CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O"	"NIJZPHVXEFJULR-XUPMJSFCSA-N"	"InChI=1S/C65H92N12O17/c1-8-37(6)54(75-61(89)49-20-15-29-77(49)64(92)53(36(4)5)74-56(84)43(66)31-39-16-11-9-12-17-39)62(90)73-48(32-40-18-13-10-14-19-40)60(88)76-55(38(7)78)63(91)72-47(33-41-21-23-42(79)24-22-41)57(85)68-34-51(81)69-44(26-28-52(82)83)58(86)71-46(30-35(2)3)59(87)70-45(65(93)94)25-27-50(67)80/h9-14,16-19,21-24,35-38,43-49,53-55,78-79H,8,15,20,25-34,66H2,1-7H3,(H2,67,80)(H,68,85)(H,69,81)(H,70,87)(H,71,86)(H,72,91)(H,73,90)(H,74,84)(H,75,89)(H,76,88)(H,82,83)(H,93,94)/t37-,38+,43-,44-,45-,46-,47-,48-,49-,53-,54-,55-/m0/s1"	""	""	""
"1461"	"motilin-(1-12) (human)"	""	"Peptide"	""	""	""	""	"135652296"	"101930759"	""	""	""	""	""	""	""	""	""	"motilin<sub>1-12</sub> (human)"	"CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@@H](C)O"	"RMFLNSINIQWBNF-YJSHLDSISA-N"	"InChI=1S/C71H104N16O18/c1-8-40(6)58(85-66(100)53-22-16-32-87(53)69(103)57(39(4)5)84-60(94)46(72)34-42-17-11-9-12-18-42)67(101)83-52(35-43-19-13-10-14-20-43)65(99)86-59(41(7)88)68(102)82-51(36-44-23-25-45(89)26-24-44)61(95)77-37-55(91)78-47(28-30-56(92)93)62(96)81-50(33-38(2)3)64(98)79-48(27-29-54(73)90)63(97)80-49(70(104)105)21-15-31-76-71(74)75/h9-14,17-20,23-26,38-41,46-53,57-59,88-89H,8,15-16,21-22,27-37,72H2,1-7H3,(H2,73,90)(H,77,95)(H,78,91)(H,79,98)(H,80,97)(H,81,96)(H,82,102)(H,83,101)(H,84,94)(H,85,100)(H,86,99)(H,92,93)(H,104,105)(H4,74,75,76)/t40-,41+,46-,47-,48-,49-,50-,51-,52-,53-,57-,58-,59-/m0/s1"	""	""	""
"1462"	"motilin-(1-13) (human)"	""	"Peptide"	""	""	""	""	"135652297"	"155817409"	""	""	""	""	""	""	""	""	""	"motilin<sub>1-13</sub> (human)"	"CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)O)[C@@H](C)O"	"BYENHSKWDFWKRW-JAFQCPPXSA-N"	"InChI=1S/C76H113N17O19S/c1-9-43(6)62(91-71(107)57-23-17-34-93(57)74(110)61(42(4)5)90-64(100)49(77)37-45-18-12-10-13-19-45)72(108)89-56(38-46-20-14-11-15-21-46)70(106)92-63(44(7)94)73(109)88-55(39-47-24-26-48(95)27-25-47)65(101)82-40-59(97)83-51(29-31-60(98)99)67(103)87-54(36-41(2)3)69(105)85-52(28-30-58(78)96)68(104)84-50(22-16-33-81-76(79)80)66(102)86-53(75(111)112)32-35-113-8/h10-15,18-21,24-27,41-44,49-57,61-63,94-95H,9,16-17,22-23,28-40,77H2,1-8H3,(H2,78,96)(H,82,101)(H,83,97)(H,84,104)(H,85,105)(H,86,102)(H,87,103)(H,88,109)(H,89,108)(H,90,100)(H,91,107)(H,92,106)(H,98,99)(H,111,112)(H4,79,80,81)/t43-,44+,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-,62-,63-/m0/s1"	""	""	""
"1463"	"motilin-(1-19) (human)"	""	"Peptide"	""	""	""	""	"135652298"	"155817410"	""	""	""	""	""	""	""	""	""	"motilin<sub>1-19</sub> (human)"	"CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O"	"MGEPJYBDTTYXQQ-AKGJPERPSA-N"	"InChI=1S/C107H165N29O31S/c1-9-57(6)86(134-101(162)77-28-20-47-136(77)104(165)85(56(4)5)133-88(149)63(109)50-59-21-12-10-13-22-59)102(163)131-75(51-60-23-14-11-15-24-60)100(161)135-87(58(7)137)103(164)130-74(52-61-29-31-62(138)32-30-61)89(150)119-54-81(142)120-67(35-40-82(143)144)93(154)129-73(49-55(2)3)99(160)127-69(34-39-79(111)140)94(155)122-65(26-18-45-117-106(113)114)91(152)128-72(43-48-168-8)98(159)124-68(33-38-78(110)139)95(156)126-71(37-42-84(147)148)96(157)121-64(25-16-17-44-108)90(151)125-70(36-41-83(145)146)97(158)123-66(27-19-46-118-107(115)116)92(153)132-76(105(166)167)53-80(112)141/h10-15,21-24,29-32,55-58,63-77,85-87,137-138H,9,16-20,25-28,33-54,108-109H2,1-8H3,(H2,110,139)(H2,111,140)(H2,112,141)(H,119,150)(H,120,142)(H,121,157)(H,122,155)(H,123,158)(H,124,159)(H,125,151)(H,126,156)(H,127,160)(H,128,152)(H,129,154)(H,130,164)(H,131,163)(H,132,153)(H,133,149)(H,134,162)(H,135,161)(H,143,144)(H,145,146)(H,147,148)(H,166,167)(H4,113,114,117)(H4,115,116,118)/t57-,58+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,85-,86-,87-/m0/s1"	""	""	""
"1464"	"motilin-(2-22) (human)"	""	"Peptide"	""	""	""	""	"135652299"	"155817411"	""	""	""	""	""	""	""	""	""	"motilin<sub>2-22</sub> (human)"	"CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O"	"AAXICBFDLRONSR-YPJUOLRESA-N"	"InChI=1S/C111H179N33O34S/c1-9-58(6)89(142-105(173)78-26-19-48-144(78)108(176)88(118)57(4)5)106(174)141-76(51-60-20-11-10-12-21-60)104(172)143-90(59(7)145)107(175)140-75(52-61-27-29-62(146)30-28-61)92(160)126-54-83(151)127-67(34-40-85(153)154)96(164)138-74(50-56(2)3)102(170)136-69(32-38-80(115)148)97(165)131-65(24-17-46-123-110(119)120)94(162)137-72(43-49-179-8)101(169)133-68(31-37-79(114)147)98(166)135-71(36-42-87(157)158)99(167)130-64(23-14-16-45-113)93(161)134-70(35-41-86(155)156)100(168)132-66(25-18-47-124-111(121)122)95(163)139-77(53-82(117)150)103(171)129-63(22-13-15-44-112)91(159)125-55-84(152)128-73(109(177)178)33-39-81(116)149/h10-12,20-21,27-30,56-59,63-78,88-90,145-146H,9,13-19,22-26,31-55,112-113,118H2,1-8H3,(H2,114,147)(H2,115,148)(H2,116,149)(H2,117,150)(H,125,159)(H,126,160)(H,127,151)(H,128,152)(H,129,171)(H,130,167)(H,131,165)(H,132,168)(H,133,169)(H,134,161)(H,135,166)(H,136,170)(H,137,162)(H,138,164)(H,139,163)(H,140,175)(H,141,174)(H,142,173)(H,143,172)(H,153,154)(H,155,156)(H,157,158)(H,177,178)(H4,119,120,123)(H4,121,122,124)/t58-,59+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,88-,89-,90-/m0/s1"	""	""	""
"5376"	"motilin-associated peptide"	"Human"	"Peptide"	""	""	""	""	"178102035"	"0"	"P12872"	"ENSG00000096395"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10679"	"motixafortide"	""	"Peptide"	"yes"	""	""	""	"404859126"	"91865076"	""	""	""	""	""	""	""	""	"motixafortide"	"4F-Benzoyl-TN14003|Aphexda&reg;|BKT140|BL-8040|TF14016"	"NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1)F)CCCNC(=N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2"	"JJVZSYKFCOBILL-MKMRYRNGSA-N"	"InChI=1S/C97H144FN33O19S2/c98-60-33-31-58(32-34-60)78(135)119-65(19-8-42-113-93(104)105)79(136)121-68(21-10-44-115-95(108)109)83(140)126-73(51-56-25-30-57-14-1-2-15-59(57)48-56)87(144)130-75-53-152-151-52-74(88(145)118-63(77(101)134)18-7-41-112-92(102)103)129-84(141)69(23-12-46-117-97(111)150)122-81(138)66(20-9-43-114-94(106)107)124-86(143)72(50-55-28-37-62(133)38-29-55)128-90(147)76-24-13-47-131(76)91(148)70(17-4-6-40-100)125-82(139)64(16-3-5-39-99)120-80(137)67(22-11-45-116-96(110)149)123-85(142)71(127-89(75)146)49-54-26-35-61(132)36-27-54/h1-2,14-15,25-38,48,63-76,132-133H,3-13,16-24,39-47,49-53,99-100H2,(H2,101,134)(H,118,145)(H,119,135)(H,120,137)(H,121,136)(H,122,138)(H,123,142)(H,124,143)(H,125,139)(H,126,140)(H,127,146)(H,128,147)(H,129,141)(H,130,144)(H4,102,103,112)(H4,104,105,113)(H4,106,107,114)(H4,108,109,115)(H3,110,116,149)(H3,111,117,150)/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-/m0/s1"	"yes"	""	""
"9026"	"motolimod"	""	"Synthetic organic"	""	""	""	""	"315661111"	"16049404"	""	""	"CHEMBL3301618"	""	""	""	""	"2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide"	"motolimod"	"VTX-2337"	"CCCN(C(=O)C1=Cc2ccc(cc2N=C(C1)N)c1ccc(cc1)C(=O)N1CCCC1)CCC"	"QSPOQCXMGPDIHI-UHFFFAOYSA-N"	"InChI=1S/C28H34N4O2/c1-3-13-31(14-4-2)28(34)24-17-23-12-11-22(18-25(23)30-26(29)19-24)20-7-9-21(10-8-20)27(33)32-15-5-6-16-32/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H2,29,30)"	"yes"	""	""
"14510"	"motugivatrep"	""	"Synthetic organic"	"yes"	""	""	""	"528429831"	"137350798"	""	""	"CHEMBL5095073"	""	""	""	""	"(2E)-N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]acetamide"	"motugivatrep"	"Avarept&reg;|compound 1 [WO2024071349]|SJP-0132|SJP0132"	"C1CC2=C(C[C@@H]1O)C(=CC=C2)NC(=O)/C=C/3\CCOC4=C3C=CC(=C4)C(F)(F)F"	"MAWBBYZCTDJMDD-HFQYIWAZSA-N"	"InChI=1S/C22H20F3NO3/c23-22(24,25)15-5-7-17-14(8-9-29-20(17)11-15)10-21(28)26-19-3-1-2-13-4-6-16(27)12-18(13)19/h1-3,5,7,10-11,16,27H,4,6,8-9,12H2,(H,26,28)/b14-10+/t16-/m1/s1"	""	""	""
"7675"	"moxetumomab pasudotox"	""	"Antibody"	"yes"	""	""	""	"223366010"	"0"	""	""	"CHEMBL1743043"	""	""	""	""	""	"moxetumomab pasudotox"	"CAT-8015|GCR-8015|HA22|Lumoxiti&reg;|moxetumomab pasudotox-tdfk"	""	""	""	"yes"	""	""
"10915"	"moxifloxacin"	""	"Synthetic organic"	"yes"	""	""	""	"405560356"	"152946"	""	""	"CHEMBL32"	""	""	""	""	"7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid"	"moxifloxacin"	"Avelox&reg;|BAY-12-8039|BAY-128039|BAY128039|MFX|MOXIVIG&reg; (opthalmic solution)"	"COc1c(N2C[C@@H]3[C@H](C2)CCCN3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1"	"FABPRXSRWADJSP-MEDUHNTESA-N"	"InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1"	""	""	"yes"
"12306"	"moxisylyte"	""	"Synthetic organic"	"yes"	""	""	""	"479821097"	"4260"	""	""	""	""	""	""	""	""	"moxisylyte"	"Opilon&reg;|thymoxamine"	"Cc1cc(c(cc1OC(=O)C)C(C)C)OCCN(C)C"	"VRYMTAVOXVTQEF-UHFFFAOYSA-N"	"InChI=1S/C16H25NO3/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6/h9-11H,7-8H2,1-6H3"	""	""	""
"12574"	"moxonidine"	""	"Synthetic organic"	"yes"	""	""	""	"479821364"	"4810"	""	""	"CHEMBL19236"	""	""	""	""	"4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine"	"moxonidine"	"BDF-5895|BDF5895|Cynt&reg;|LY 326869|LY326869|Norcynt&reg;"	"CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC"	"WPNJAUFVNXKLIM-UHFFFAOYSA-N"	"InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)"	""	""	""
"2197"	"mozavaptan"	""	"Synthetic organic"	""	""	""	""	"135650774"	"119369"	""	""	"CHEMBL420762"	""	""	""	""	"N-[4-(5-dimethylamino2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide"	"mozavaptan"	"OPC 31260|OPC-31260|OPC31260"	"O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C"	"WRNXUQJJCIZICJ-UHFFFAOYSA-N"	"InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)"	""	""	""
"13657"	"MP-001"	""	"Synthetic organic"	""	""	""	""	"507750291"	"132187059"	""	""	"CHEMBL4756230"	""	""	""	""	"2-[4-[(3-methoxyphenyl)sulfanylmethyl]triazol-1-yl]acetic acid"	""	"compound 10b [PMID: 33493827]|example 12 [WO2017203083A1]|MP001"	"O=C(O)CN1N=NC(=C1)CSC=2C=CC=C(OC)C2"	"DTOQEJGBDCDUSU-UHFFFAOYSA-N"	"InChI=1S/C12H13N3O3S/c1-18-10-3-2-4-11(5-10)19-8-9-6-15(14-13-9)7-12(16)17/h2-6H,7-8H2,1H3,(H,16,17)"	""	""	""
"13656"	"MP-004"	""	"Synthetic organic"	""	""	""	""	"507750290"	"132186128"	""	""	""	""	""	""	""	"2-[4-[(4-methoxyphenyl)sulfanylmethyl]triazol-1-yl]-N,N-dimethylethanamine"	""	"example 20 [WO2017203083A1]|MP004"	"N1=NN(C=C1CSC2=CC=C(OC)C=C2)CCN(C)C"	"IPKFEKNXZHBLFH-UHFFFAOYSA-N"	"InChI=1S/C14H20N4OS/c1-17(2)8-9-18-10-12(15-16-18)11-20-14-6-4-13(19-3)5-7-14/h4-7,10H,8-9,11H2,1-3H3"	""	""	""
"13655"	"MP-010"	""	"Synthetic organic"	""	""	""	""	"507750289"	"170636534"	""	""	""	""	""	""	""	"2-[4-[(4-methoxyphenyl)sulfinylmethyl]triazol-1-yl]-N,N-dimethylethanamine"	""	"MP010"	"O=S(C1=CC=C(OC)C=C1)CC=2N=NN(C2)CCN(C)C"	"XIHZIYLIHVQBRI-UHFFFAOYSA-N"	"InChI=1S/C14H20N4O2S/c1-17(2)8-9-18-10-12(15-16-18)11-21(19)14-6-4-13(20-3)5-7-14/h4-7,10H,8-9,11H2,1-3H3"	""	""	""
"9759"	"MP1104"	""	"Synthetic organic"	""	""	""	""	"354702232"	"132427686"	""	""	""	""	""	""	""	""	""	""	"Ic1cccc(c1)C(=O)N[C@@H]1C=CC2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O"	"WTIFKSFIQUZRRN-FMDQGZFPSA-N"	"InChI=1S/C27H27IN2O3/c28-18-3-1-2-17(12-18)26(32)29-20-8-7-19-21-13-16-6-9-22(31)24-23(16)27(19,25(20)33-24)10-11-30(21)14-15-4-5-15/h1-3,6-9,12,15,19-21,25,31H,4-5,10-11,13-14H2,(H,29,32)/t19?,20-,21-,25+,27+/m1/s1"	""	""	""
"11175"	"MP13"	""	"Synthetic organic"	""	""	""	""	"434122235"	"154699455"	""	""	""	""	""	""	""	""	""	"example 13 [WO2006061714]"	"O=C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1)CC(C)C)C[C@@H]1CCNC1=O"	"RUHYGYHBVKWREW-CMOCDZPBSA-N"	"InChI=1S/C26H38N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,14,16-17,19-22H,10-13,15H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1"	""	""	""
"14310"	"MP-16"	""	"Synthetic organic"	""	""	""	""	"523352102"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4595"	"MPA"	""	"Synthetic organic"	""	""	""	""	"178101316"	"193326"	""	""	"CHEMBL467106"	""	""	""	""	"3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl(propyl)amino]pyrazine-2-carboxamide"	""	""	"CCCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C"	"HDJJAWCPAZTZIG-UHFFFAOYSA-N"	"InChI=1S/C10H16ClN7O/c1-3-4-18(2)8-6(11)15-5(7(12)16-8)9(19)17-10(13)14/h3-4H2,1-2H3,(H2,12,16)(H4,13,14,17,19)"	""	""	""
"10219"	"MP-A08"	""	"Synthetic organic"	""	""	""	""	"381744901"	"420266"	""	""	"CHEMBL3764617"	""	""	""	""	""	""	""	"Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1/N=C/c1ccccc1NS(=O)(=O)c1ccc(cc1)C"	"FLDBNMYJUMAXDQ-TURZUDJPSA-N"	"InChI=1S/C27H25N3O4S2/c1-20-11-15-23(16-12-20)35(31,32)29-25-8-4-3-7-22(25)19-28-26-9-5-6-10-27(26)30-36(33,34)24-17-13-21(2)14-18-24/h3-19,29-30H,1-2H3/b28-19+"	""	""	""
"2255"	"[Mpa<sup>1</sup>,<small>D</small>-Tyr(Et)<sup>2</sup>,<small>D</small>-Tic<sup>7</sup>,Aib<sup>9</sup>]OT"	""	"Peptide"	""	""	""	""	"135652300"	"0"	""	""	""	""	""	""	""	""	""	"[deamino &beta;-mercaptopropionic&nbsp;acid,-<small>D</small>-Tyr<sup>2</sup>,<small>D</small>-Tic<sup>7</sup>,Aib<sup>9</sup>]OT|[Mpa<sup>1</sup>,O-ethyl-<small>D</small>-Tyr<sup>2</sup>,<small>D</small>-Tic<sup>7</sup>,Aib<sup>9</sup>]OT"	""	""	""	""	""	""
"2256"	"[Mpa<sup>1</sup>,<small>D</small>-Tyr(Et)<sup>2</sup>,<small>D</small>-Tic<sup>7</sup>]OT"	""	"Peptide"	""	""	""	""	"135652301"	"0"	""	""	""	""	""	""	""	""	""	"[deamino &beta;-mercaptopropionic&nbsp;acid-<small>D</small>-Tyr(Et)<sup>2</sup>,<small>D</small>-Tic<sup>7</sup>]OT"	""	""	""	""	""	""
"2254"	"[Mpa<sup>1</sup>,<small>D</small>-Tyr(Et)<sup>2</sup>,<small>D</small>-Tic<sup>7</sup>,<small>D</small>-Tic<sup>9</sup>]OT"	""	"Peptide"	""	""	""	""	"135652302"	"0"	""	""	""	""	""	""	""	""	""	"[deamino &beta;-mercaptopropionic&nbsp;acid,<small>D</small>-Tyr(Et)<sup>2</sup>,<small>D</small>-Tic<sup>7</sup>,<small>D</small>-Tic<sup>9</sup>]OT|[Mpa<sup>1</sup>,O-ethyl-<small>D</small>-Tyr<sup>2</sup>,<small>D</small>-Tic<sup>7</sup>,<small>D</small>-Tic<sup>9</sup>]OT"	""	""	""	""	""	""
"460"	"MPC-MECA"	""	"Synthetic organic"	""	""	""	""	"135650626"	"10432715"	""	""	"CHEMBL2113610"	""	""	""	""	"(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[(4-methoxyphenyl)methylamino]purin-9-yl]oxolane-2-carboxamide"	""	""	"CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)OC"	"BNXGNSTUSRFBCI-KSVNGYGVSA-N"	"InChI=1S/C20H24N6O5/c1-3-21-19(29)16-14(27)15(28)20(31-16)26-10-25-13-17(23-9-24-18(13)26)22-8-11-4-6-12(30-2)7-5-11/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1"	""	""	""
"13349"	"MPD2"	""	"Synthetic organic"	""	""	""	""	"496703319"	"171663340"	""	""	""	""	""	""	""	""	""	""	"O=C(N[C@@H](C[C@H]1C(NCC1)=O)C([H])=O)[C@H](CC2CCCCC2)NC([C@H]([C@@H](C)OC(C)(C)C)NC(OCC3=CC(OCCCCCCOC4=CC=CC=5C(N(C6CCC(NC6=O)=O)C(C54)=O)=O)=CC=C3)=O)=O"	"ZKSDAFLRLHGTNH-DTKLLKMQSA-N"	"InChI=1S/C51H68N6O13/c1-31(70-51(2,3)4)43(47(63)54-38(27-32-14-8-7-9-15-32)45(61)53-35(29-58)28-34-22-23-52-44(34)60)56-50(66)69-30-33-16-12-17-36(26-33)67-24-10-5-6-11-25-68-40-19-13-18-37-42(40)49(65)57(48(37)64)39-20-21-41(59)55-46(39)62/h12-13,16-19,26,29,31-32,34-35,38-39,43H,5-11,14-15,20-25,27-28,30H2,1-4H3,(H,52,60)(H,53,61)(H,54,63)(H,56,66)(H,55,59,62)/t31-,34+,35+,38+,39?,43+/m1/s1"	""	""	""
"71"	"MPDT"	""	"Synthetic organic"	""	""	""	""	"135650627"	"6918515"	""	""	"CHEMBL7318"	""	""	""	""	"2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine"	""	""	"COc1ccc2c(c1)c(CCN(C)C)c([nH]2)c1ccccc1"	"VSGPGYWZVPDDSK-UHFFFAOYSA-N"	"InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3"	""	""	""
"1426"	"MPEP"	""	"Synthetic organic"	""	""	""	""	"135650628"	"3025961"	""	""	"CHEMBL66654"	""	""	""	""	"2-methyl-6-(2-phenylethynyl)pyridine"	""	""	"Cc1cccc(n1)C#Cc1ccccc1"	"NEWKHUASLBMWRE-UHFFFAOYSA-N"	"InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3"	""	""	""
"9399"	"MPI-0479605"	""	"Synthetic organic"	""	""	""	""	"328083501"	"46909588"	""	""	"CHEMBL2047943"	""	""	""	""	"6-N-cyclohexyl-2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine"	""	""	"Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2c(n1)nc[nH]2)N1CCOCC1"	"OVJBNYKNHXJGSA-UHFFFAOYSA-N"	"InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)"	""	""	""
"9580"	"MPI-0485520"	""	"Synthetic organic"	""	""	""	""	"336446966"	"56646218"	""	""	"CHEMBL3650697"	""	""	""	""	""	""	"MPC-9528|MPI-485520"	"N#Cc1cc(ccc1N1CCCC1)c1ccnc(n1)Nc1ccc2c(c1)CC(=O)N2"	"DHPSFJYFPJRCTN-UHFFFAOYSA-N"	"InChI=1S/C23H20N6O/c24-14-17-11-15(3-6-21(17)29-9-1-2-10-29)20-7-8-25-23(28-20)26-18-4-5-19-16(12-18)13-22(30)27-19/h3-8,11-12H,1-2,9-10,13H2,(H,27,30)(H,25,26,28)"	"yes"	""	""
"12891"	"MPI60"	""	"Synthetic organic"	""	""	""	""	"485206012"	"168510422"	""	""	""	""	""	""	""	"Benzyl 3-(((S)-1-Oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate"	""	""	"O=C(N1CC2(CCCC2)CC1C(N[C@H](C([H])=O)C[C@@H]3CCNC3=O)=O)OCC4=CC=CC=C4"	"OYFTZDRWXGWCFB-NFBCFJMWSA-N"	"InChI=1S/C24H31N3O5/c28-14-19(12-18-8-11-25-21(18)29)26-22(30)20-13-24(9-4-5-10-24)16-27(20)23(31)32-15-17-6-2-1-3-7-17/h1-3,6-7,14,18-20H,4-5,8-13,15-16H2,(H,25,29)(H,26,30)/t18-,19-,20?/m0/s1"	""	""	""
"9897"	"MPPA"	""	"Synthetic organic"	""	""	""	""	"363894191"	"133081968"	""	""	""	""	""	""	""	"N-{[4-methoxy-2-(trifluoromethyl)phenyl]methyl}-1-propanoylpiperidine-4-carboxamide"	""	"inhibitor 23 [PMID: 29614224]"	"CCC(=O)N1CCC(CC1)C(=O)NCc1ccc(cc1C(F)(F)F)OC"	"IJNCJYJSEFDKFC-UHFFFAOYSA-N"	"InChI=1S/C18H23F3N2O3/c1-3-16(24)23-8-6-12(7-9-23)17(25)22-11-13-4-5-14(26-2)10-15(13)18(19,20)21/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,22,25)"	"yes"	""	""
"1415"	"MPPG"	""	"Synthetic organic"	""	""	""	""	"135650629"	"3972752"	""	""	"CHEMBL86508"	""	""	""	""	"2-amino-2-(4-phosphonophenyl)propanoic acid"	""	""	"OC(=O)C(c1ccc(cc1)P(=O)(O)O)(N)C"	"PAONCRJPUQXPRW-UHFFFAOYSA-N"	"InChI=1S/C9H12NO5P/c1-9(10,8(11)12)6-2-4-7(5-3-6)16(13,14)15/h2-5H,10H2,1H3,(H,11,12)(H2,13,14,15)"	""	""	""
"4568"	"MPP<sup>+</sup>"	""	"Synthetic organic"	""	""	""	""	"178101289"	"39484"	""	""	"CHEMBL311617"	""	""	""	""	"1-methyl-4-phenylpyridin-1-ium"	""	"1-methyl-4-phenylpyridinium|cyperquat"	"C[n+]1ccc(cc1)c1ccccc1"	"FMGYKKMPNATWHP-UHFFFAOYSA-N"	"InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1"	""	""	""
"13858"	"Mpro inhibitor 119 [PMID: 40186586]"	""	"Synthetic organic"	""	""	""	""	"513757543"	"172432041"	""	""	""	""	""	""	""	"(5R)-4-[(4-bromo-2-ethylphenyl)methyl]-N-ethyl-1-{thieno[2,3-c]pyridine-4-carbonyl}-1,4-diazepane-5-carboxamide"	""	""	"CCNC(=O)[C@H]1CCN(CCN1CC2=CC=C(Br)C=C2CC)C(=O)C3=C4C=CSC4=CN=C3"	"XJUPLZSRHVEZGN-JOCHJYFZSA-N"	"InChI=1S/C25H29BrN4O2S/c1-3-17-13-19(26)6-5-18(17)16-30-11-10-29(9-7-22(30)24(31)28-4-2)25(32)21-14-27-15-23-20(21)8-12-33-23/h5-6,8,12-15,22H,3-4,7,9-11,16H2,1-2H3,(H,28,31)/t22-/m1/s1"	""	""	""
"13382"	"Mpro inhibitor 13b"	""	"Synthetic organic"	""	""	""	""	"496703352"	"146026181"	""	""	"CHEMBL5075209"	""	""	""	""	"tert-butyl N-[1-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxopyridin-3-yl]carbamate"	""	"13b-K ((S,S,S)-diastereomer)"	"CC(C)(C)OC(=O)NC1=CC=CN([C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)C(=O)NCC4=CC=CC=C4)C1=O"	"NLVRHQFXQFSBQK-XWGVYQGASA-N"	"InChI=1S/C31H39N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-24H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24-/m0/s1"	""	""	""
"13857"	"Mpro inhibitor 38a [PMID: 40186586]"	""	"Synthetic organic"	""	""	""	""	"513757542"	"172677847"	""	""	""	""	""	""	""	"(5R)-4-[(4-bromo-2-ethylphenyl)methyl]-1-(5-chloropyridine-3-carbonyl)-N-ethyl-1,4-diazepane-5-carboxamide"	""	""	"CCNC(=O)[C@H]1CCN(CCN1CC2=CC=C(Br)C=C2CC)C(=O)C3=CC(Cl)=CN=C3"	"LNSKXOLGTQJMBP-OAQYLSRUSA-N"	"InChI=1S/C23H28BrClN4O2/c1-3-16-11-19(24)6-5-17(16)15-29-10-9-28(8-7-21(29)22(30)27-4-2)23(31)18-12-20(25)14-26-13-18/h5-6,11-14,21H,3-4,7-10,15H2,1-2H3,(H,27,30)/t21-/m1/s1"	""	""	""
"9271"	"MPS1-IN-1"	""	"Synthetic organic"	""	""	""	""	"315661346"	"25195352"	""	""	""	""	""	""	""	"1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]piperidin-4-ol"	""	""	"COc1cc(ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(n1)[nH]cc2)N1CCC(CC1)O"	"NMJMRSQTDLRCRQ-UHFFFAOYSA-N"	"InChI=1S/C28H33N5O4S/c1-18(2)38(35,36)26-7-5-4-6-23(26)30-24-17-27(32-28-21(24)10-13-29-28)31-22-9-8-19(16-25(22)37-3)33-14-11-20(34)12-15-33/h4-10,13,16-18,20,34H,11-12,14-15H2,1-3H3,(H3,29,30,31,32)"	""	""	""
"14552"	"mPT1_084"	""	"Peptide"	""	""	""	""	"528429873"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8587"	"MQ1"	""	"Synthetic organic"	""	""	""	""	"252166788"	"57521365"	""	""	"CHEMBL2059420"	""	""	""	""	"4-(cyclopropylmethoxy)-N-[8-methyl-3-[(1R)-1-pyrrolidin-1-ylethyl]quinolin-7-yl]benzamide"	""	"compound <i>(R)</i>-10a|MQ-1"	"O=C(c1ccc(cc1)OCC1CC1)Nc1ccc2c(c1C)ncc(c2)[C@H](N1CCCC1)C"	"DFWKNBVJNXPUBW-LJQANCHMSA-N"	"InChI=1S/C27H31N3O2/c1-18-25(29-27(31)21-7-10-24(11-8-21)32-17-20-5-6-20)12-9-22-15-23(16-28-26(18)22)19(2)30-13-3-4-14-30/h7-12,15-16,19-20H,3-6,13-14,17H2,1-2H3,(H,29,31)/t19-/m1/s1"	""	""	""
"14497"	"MR1–114"	""	"Synthetic organic"	""	""	""	""	"528429818"	"178342675"	""	""	""	""	""	""	""	""	""	"compound 15 [PMID: 41886743]|MR1114"	"C[C@@H](NC(=O)C1=C(C)C=CC(=C1)N2CCN(C)CC2)C3=CC(=CC(=C3)C4=CN(C)N=C4)C#CC5=CN(C)N=C5"	"KKLZAZAADMLHCJ-HSZRJFAPSA-N"	"InChI=1S/C31H35N7O/c1-22-6-9-29(38-12-10-35(3)11-13-38)17-30(22)31(39)34-23(2)26-14-24(7-8-25-18-32-36(4)20-25)15-27(16-26)28-19-33-37(5)21-28/h6,9,14-21,23H,10-13H2,1-5H3,(H,34,39)/t23-/m1/s1"	""	""	""
"390"	"MRE 2029F20"	""	"Synthetic organic"	""	""	""	""	"135650630"	"135484064"	""	""	"CHEMBL260331"	""	""	""	""	"N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}acetamide"	""	"MRE-2029F20"	"CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2"	"DBWQRFKXNBVPGA-UHFFFAOYSA-N"	"InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)"	""	""	""
"5852"	"MRE-269"	""	"Synthetic organic"	""	""	""	""	"178102476"	"9931891"	""	""	"CHEMBL239226"	""	""	""	""	"2-[4-[[5,6-di(phenyl)pyrazin-2-yl]-propan-2-ylamino]butoxy]acetic acid"	""	"ACT 333679|ACT-333679|MRE 269"	"OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C"	"OJQMKCBWYCWFPU-UHFFFAOYSA-N"	"InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30)"	""	""	""
"459"	"MRE 3008F20"	""	"Synthetic organic"	""	""	""	""	"135650631"	"5310960"	""	""	"CHEMBL302765"	""	""	""	""	"3-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-7-yl]-1-(4-methoxyphenyl)urea"	""	"MCP-NECA|MRE 3008-F20"	"CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC"	"CJRNHKSLHHWUAB-UHFFFAOYSA-N"	"InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)"	""	""	""
"465"	"MRE 3010F20"	""	"Synthetic organic"	""	""	""	""	"135650632"	"73754994"	""	""	""	""	""	""	""	""	""	"MRE-3010F20"	"CCCn1cc2c(n1)N=C(C1C2=NC(=N1)C1CCCO1)NC(=O)Nc1cccc(c1)Cl"	"AQJYVSDITBKWSI-UHFFFAOYSA-N"	"InChI=1S/C21H22ClN7O2/c1-2-8-29-11-14-16-17(25-19(24-16)15-7-4-9-31-15)20(26-18(14)28-29)27-21(30)23-13-6-3-5-12(22)10-13/h3,5-6,10-11,15,17H,2,4,7-9H2,1H3,(H2,23,26,27,28,30)"	""	""	""
"12152"	"MRGPRX2 antagonist 17"	""	"Synthetic organic"	""	""	""	""	"472319274"	"164734529"	""	""	""	""	""	""	""	""	""	""	"C[C@@H](C(=O)Nc1ncc(nc1)Oc1c(cc(cc1)F)F)N1CCC([C@H](C1)c1cc[n+](cc1)[O-])(F)F"	"UOCITXUZOXOHLH-WMLDXEAASA-N"	"InChI=1S/C23H21F4N5O3/c1-14(31-9-6-23(26,27)17(13-31)15-4-7-32(34)8-5-15)22(33)30-20-11-29-21(12-28-20)35-19-3-2-16(24)10-18(19)25/h2-5,7-8,10-12,14,17H,6,9,13H2,1H3,(H,28,30,33)/t14-,17+/m0/s1"	""	""	""
"10521"	"MRI-1867"	""	"Synthetic organic"	""	""	""	""	"387065603"	"132937648"	""	""	""	""	""	""	""	"(4S)-N-(1-aminoethylidene)-5-(4-chlorophenyl)-N'-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide"	""	"(-)-MRI-1867|MRI1867"	"Clc1ccc(cc1)C1=NN(C[C@@H]1c1ccccc1)/C(=N/S(=O)(=O)c1ccc(cc1)Cl)/N=C(\N)/C"	"GZPQTZIUWCQXCF-JOCHJYFZSA-N"	"InChI=1S/C24H21Cl2N5O2S/c1-16(27)28-24(30-34(32,33)21-13-11-20(26)12-14-21)31-15-22(17-5-3-2-4-6-17)23(29-31)18-7-9-19(25)10-8-18/h2-14,22H,15H2,1H3,(H2,27,28,30)/t22-/m1/s1"	"yes"	""	""
"4257"	"MRK016"	""	"Synthetic organic"	""	""	""	""	"178101074"	"6918583"	""	""	"CHEMBL363211"	""	""	""	""	"5-({[3-tert-butyl-7-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-d][1,2,4]triazin-2-yl]oxy}methyl)-1-methyl-1H-1,2,4-triazole"	""	"MRK 016|MRK-016"	"Cc1onc(c1)c1nncc2n1nc(c2C(C)(C)C)OCc1ncnn1C"	"QYSYOGCIDRANAR-UHFFFAOYSA-N"	"InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3"	""	""	""
"3651"	"MRK-1"	""	"Synthetic organic"	""	""	""	""	"178100547"	"5481119"	""	""	"CHEMBL3182547"	""	""	""	""	"(2R)-2-[[(1R,3S,4S)-3-[[4-[2-ethyl-5-(phenylmethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid"	""	"CMPD 167|L167"	"CCn1nc(cc1C1CCN(CC1)C[C@H]1C[C@@H](C[C@@H]1c1cccc(c1)F)N([C@@H](C(=O)O)C(C)C)C)Cc1ccccc1"	"ZTENZJJCFACIAK-ADWVOTLJSA-N"	"InChI=1S/C35H47FN4O2/c1-5-40-33(21-30(37-40)18-25-10-7-6-8-11-25)26-14-16-39(17-15-26)23-28-20-31(38(4)34(24(2)3)35(41)42)22-32(28)27-12-9-13-29(36)19-27/h6-13,19,21,24,26,28,31-32,34H,5,14-18,20,22-23H2,1-4H3,(H,41,42)/t28-,31+,32-,34-/m1/s1"	""	""	""
"14655"	"MR-L2"	""	"Synthetic organic"	""	""	""	""	"530846903"	"138911347"	""	""	"CHEMBL5407478"	""	""	""	""	"2-[3-(4-chloro-3-fluorophenyl)-5-ethyl-1,2,4-triazol-1-yl]-N-[(3,5-dichlorophenyl)methyl]acetamide"	""	"compound 33 [PMID: 37974956]"	"C=1C(CNC(=O)CN2N=C(C=3C=CC(Cl)=C(F)C3)N=C2CC)=CC(Cl)=CC1Cl"	"JXACCOKEEPXHCF-UHFFFAOYSA-N"	"InChI=1S/C19H16Cl3FN4O/c1-2-17-25-19(12-3-4-15(22)16(23)7-12)26-27(17)10-18(28)24-9-11-5-13(20)8-14(21)6-11/h3-8H,2,9-10H2,1H3,(H,24,28)"	""	""	""
"6742"	"MRL20"	""	"Synthetic organic"	""	""	""	""	"178103353"	"10143056"	""	""	"CHEMBL181937"	""	""	""	""	"(2S)-2-[2-[[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]propanoic acid"	""	""	"COc1ccc(cc1)C(=O)n1c(C)c(c2c1ccc(c2)OC(F)(F)F)Cc1ccccc1O[C@H](C(=O)O)C"	"BWTOBMCYVACNJZ-KRWDZBQOSA-N"	"InChI=1S/C28H24F3NO6/c1-16-22(14-19-6-4-5-7-25(19)37-17(2)27(34)35)23-15-21(38-28(29,30)31)12-13-24(23)32(16)26(33)18-8-10-20(36-3)11-9-18/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1"	""	""	""
"6743"	"MRL24"	""	"Synthetic organic"	""	""	""	""	"178103354"	"9958543"	""	""	"CHEMBL179330"	""	""	""	""	"(2S)-2-[3-[[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)indol-3- yl]methyl]phenoxy]propanoic acid"	""	"MRL 24"	"COc1ccc(cc1)C(=O)n1c(C)c(c2c1ccc(c2)OC(F)(F)F)Cc1cccc(c1)O[C@H](C(=O)O)C"	"OFCWBJAYEIROGZ-KRWDZBQOSA-N"	"InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1"	""	""	""
"9080"	"MRL-248"	""	"Synthetic organic"	""	""	""	""	"315661165"	"121231396"	""	""	""	""	""	""	""	"4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H,3aH,7aH-pyrazolo[4,3-b]pyridin-3-yl}-3-fluorobenzoic acid"	""	""	"OC(=O)c1ccc(c(c1)F)C1=NN(C2C1N=CC=C2)C(=O)c1c(Cl)cccc1C(F)(F)F"	"ODEANEWMWSRFHI-UHFFFAOYSA-N"	"InChI=1S/C21H12ClF4N3O3/c22-13-4-1-3-12(21(24,25)26)16(13)19(30)29-15-5-2-8-27-18(15)17(28-29)11-7-6-10(20(31)32)9-14(11)23/h1-9,15,18H,(H,31,32)"	"yes"	""	""
"9079"	"MRL-367"	""	"Synthetic organic"	""	""	""	""	"315661164"	"121231395"	""	""	""	""	""	""	""	"4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H,3aH,7aH-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid"	""	""	"Fc1cc(C(=O)O)c(cc1C1=NN(C2C1N=CC=C2)C(=O)c1c(Cl)cccc1C(F)(F)F)O"	"LCOVNUGQIUYGLV-UHFFFAOYSA-N"	"InChI=1S/C21H12ClF4N3O4/c22-12-4-1-3-11(21(24,25)26)16(12)19(31)29-14-5-2-6-27-18(14)17(28-29)9-8-15(30)10(20(32)33)7-13(9)23/h1-8,14,18,30H,(H,32,33)"	"yes"	""	""
"10642"	"MRL-871"	""	"Synthetic organic"	""	""	""	""	"404859089"	"68159303"	""	""	"CHEMBL3598140"	""	""	""	""	"4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]indazol-3-yl]benzoic acid"	""	"MRL871"	"OC(=O)c1ccc(cc1)c1nn(c2c1cccc2)C(=O)c1c(Cl)cccc1C(F)(F)F"	"DANLZOIRUUHIIX-UHFFFAOYSA-N"	"InChI=1S/C22H12ClF3N2O3/c23-16-6-3-5-15(22(24,25)26)18(16)20(29)28-17-7-2-1-4-14(17)19(27-28)12-8-10-13(11-9-12)21(30)31/h1-11H,(H,30,31)"	"yes"	""	""
"392"	"MRS1041"	""	"Synthetic organic"	""	""	""	""	"135650633"	"10247549"	""	""	"CHEMBL72862"	""	""	""	""	"3,5,7-triethoxy-2-phenylchromen-4-one"	""	"3,5,7-triethoxyflavone|MRS-1041"	"CCOc1cc(OCC)c2c(c1)oc(c(c2=O)OCC)c1ccccc1"	"YMQQPRDUZIXHBJ-UHFFFAOYSA-N"	"InChI=1S/C21H22O5/c1-4-23-15-12-16(24-5-2)18-17(13-15)26-20(14-10-8-7-9-11-14)21(19(18)22)25-6-3/h7-13H,4-6H2,1-3H3"	""	""	""
"393"	"MRS1042"	""	"Synthetic organic"	""	""	""	""	"135650634"	"10500941"	""	""	"CHEMBL76273"	""	""	""	""	"2-phenyl-3,5,7-tripropoxychromen-4-one"	""	"MRS-1042"	"CCCOc1cc(OCCC)c2c(c1)oc(c(c2=O)OCCC)c1ccccc1"	"ABZJCSJCNNCZRY-UHFFFAOYSA-N"	"InChI=1S/C24H28O5/c1-4-12-26-18-15-19(27-13-5-2)21-20(16-18)29-23(17-10-8-7-9-11-17)24(22(21)25)28-14-6-3/h7-11,15-16H,4-6,12-14H2,1-3H3"	""	""	""
"394"	"MRS1062"	""	"Synthetic organic"	""	""	""	""	"135650635"	"18784677"	""	""	""	""	""	""	""	"3-hydroxy-6-methoxy-2-phenyl-2-(2-phenylethynyl)chroman-4-one"	""	"MRS-1062"	"COc1ccc2c(c1)C(=O)C(C(O2)(C#Cc1ccccc1)c1ccccc1)O"	"ITOHYACNWAMSCT-UHFFFAOYSA-N"	"InChI=1S/C24H18O4/c1-27-19-12-13-21-20(16-19)22(25)23(26)24(28-21,18-10-6-3-7-11-18)15-14-17-8-4-2-5-9-17/h2-13,16,23,26H,1H3"	""	""	""
"395"	"MRS1065"	""	"Synthetic organic"	""	""	""	""	"135650636"	"10710647"	""	""	"CHEMBL75590"	""	""	""	""	"4-methoxy-7-[(E)-2-phenylethenyl]pyrano[3,2-f][1]benzoxol-5-one"	""	"MRS 1065"	"COc1c2c(=O)cc(oc2cc2c1cco2)/C=C/c1ccccc1"	"HTBFQFPYNPJVLO-BQYQJAHWSA-N"	"InChI=1S/C20H14O4/c1-22-20-15-9-10-23-17(15)12-18-19(20)16(21)11-14(24-18)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7+"	""	""	""
"396"	"MRS1066"	""	"Synthetic organic"	""	""	""	""	"135650637"	"10806465"	""	""	"CHEMBL76874"	""	""	""	""	"4-ethoxy-7-[(E)-2-phenylethenyl]pyrano[3,2-f][1]benzoxol-5-one"	""	""	"CCOc1c2c(=O)cc(oc2cc2c1cco2)/C=C/c1ccccc1"	"TZRUAYHMQMKKLT-CMDGGOBGSA-N"	"InChI=1S/C21H16O4/c1-2-23-21-16-10-11-24-18(16)13-19-20(21)17(22)12-15(25-19)9-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3/b9-8+"	""	""	""
"466"	"MRS1067"	""	"Synthetic organic"	""	""	""	""	"135650638"	"252716"	""	""	"CHEMBL89093"	""	""	""	""	"3,6-dichloro-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one"	""	"MRS-1067"	"CC(Oc1cc(C)ccc1c1oc2ccc(cc2c(=O)c1Cl)Cl)C"	"PWGZOUCWGRTPSM-UHFFFAOYSA-N"	"InChI=1S/C19H16Cl2O3/c1-10(2)23-16-8-11(3)4-6-13(16)19-17(21)18(22)14-9-12(20)5-7-15(14)24-19/h4-10H,1-3H3"	""	""	""
"397"	"MRS1084"	""	"Synthetic organic"	""	""	""	""	"135650639"	"10593671"	""	""	"CHEMBL76128"	""	""	""	""	"7-[(E)-2-phenylethenyl]-4-propoxypyrano[3,2-f][1]benzoxol-5-one"	""	"4-(propyloxy)-7-trans-styrylvisnagin"	"CCCOc1c2c(=O)cc(oc2cc2c1cco2)/C=C/c1ccccc1"	"RCPBGBWHKGZPFO-CMDGGOBGSA-N"	"InChI=1S/C22H18O4/c1-2-11-25-22-17-10-12-24-19(17)14-20-21(22)18(23)13-16(26-20)9-8-15-6-4-3-5-7-15/h3-10,12-14H,2,11H2,1H3/b9-8+"	""	""	""
"398"	"MRS1086"	""	"Synthetic organic"	""	""	""	""	"135650640"	"10813088"	""	""	"CHEMBL74505"	""	""	""	""	"2-(2,4-diethoxyphenyl)-3,5,7-triethoxychromen-4-one"	""	"MRS-1086"	"CCOc1ccc(c(c1)OCC)c1oc2cc(OCC)cc(c2c(=O)c1OCC)OCC"	"JVGSHXMDRPGOQM-UHFFFAOYSA-N"	"InChI=1S/C25H30O7/c1-6-27-16-11-12-18(19(13-16)29-8-3)24-25(31-10-5)23(26)22-20(30-9-4)14-17(28-7-2)15-21(22)32-24/h11-15H,6-10H2,1-5H3"	""	""	""
"429"	"MRS1088"	""	"Synthetic organic"	""	""	""	""	"135650641"	"252696"	""	""	"CHEMBL309566"	""	""	""	""	"3,6-dichloro-2-phenylchromen-4-one"	""	"3,6-dichloroflavone|MRS-1088|NSC-74876"	"Clc1ccc2c(c1)c(=O)c(c(o2)c1ccccc1)Cl"	"PTNKLWUWHUGKTA-UHFFFAOYSA-N"	"InChI=1S/C15H8Cl2O2/c16-10-6-7-12-11(8-10)14(18)13(17)15(19-12)9-4-2-1-3-5-9/h1-8H"	""	""	""
"399"	"MRS1093"	""	"Synthetic organic"	""	""	""	""	"135650642"	"10568125"	""	""	"CHEMBL449090"	""	""	""	""	"3,7-diethoxy-5-hydroxy-2-phenylchromen-4-one"	""	"3,7-Diethoxy-5-hydroxyflavone|MRS-1093"	"CCOc1cc(O)c2c(c1)oc(c(c2=O)OCC)c1ccccc1"	"ZPEWNDIPSPULBP-UHFFFAOYSA-N"	"InChI=1S/C19H18O5/c1-3-22-13-10-14(20)16-15(11-13)24-18(12-8-6-5-7-9-12)19(17(16)21)23-4-2/h5-11,20H,3-4H2,1-2H3"	""	""	""
"467"	"MRS1097"	""	"Synthetic organic"	""	""	""	""	"135650643"	"9953766"	""	""	"CHEMBL315984"	""	""	""	""	"3,5-diethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylate"	""	"MRS-1097"	"CCOC(=O)C1=C(C)NC(=C(C1/C=C/c1ccccc1)C(=O)OCC)c1ccccc1"	"XCXCNPNUEPMYRS-WUKNDPDISA-N"	"InChI=1S/C26H27NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17,21,27H,4-5H2,1-3H3/b17-16+"	""	""	""
"400"	"MRS1132"	""	"Synthetic organic"	""	""	""	""	"135650644"	"736736"	""	""	"CHEMBL74975"	""	""	""	""	"3-chloro-2-phenylchromen-4-one"	""	"3-chloroflavone"	"O=c1c(Cl)c(oc2c1cccc2)c1ccccc1"	"FHXDSQYFCFWKAW-UHFFFAOYSA-N"	"InChI=1S/C15H9ClO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H"	""	""	""
"468"	"MRS1177"	""	"Synthetic organic"	""	""	""	""	"135650645"	"10045876"	""	""	"CHEMBL317382"	""	""	""	""	"N-(9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)benzamide"	""	""	"Clc1ccc2c(c1)c1nc(nn1c(n2)NC(=O)c1ccccc1)c1ccco1"	"XIEBLXLGWFCYEP-UHFFFAOYSA-N"	"InChI=1S/C20H12ClN5O2/c21-13-8-9-15-14(11-13)18-23-17(16-7-4-10-28-16)25-26(18)20(22-15)24-19(27)12-5-2-1-3-6-12/h1-11H,(H,22,24,27)"	""	""	""
"469"	"MRS1186"	""	"Synthetic organic"	""	""	""	""	"135650646"	"10065929"	""	""	"CHEMBL329722"	""	""	""	""	"N-(9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propanamide"	""	"MRS-1186"	"CCC(=O)Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl"	"SPZIDRYLSXDAEF-UHFFFAOYSA-N"	"InChI=1S/C16H12ClN5O2/c1-2-13(23)19-16-18-11-6-5-9(17)8-10(11)15-20-14(21-22(15)16)12-4-3-7-24-12/h3-8H,2H2,1H3,(H,18,19,23)"	""	""	""
"470"	"MRS1191"	""	"Synthetic organic"	""	""	""	""	"135650647"	"393594"	""	""	"CHEMBL1995014"	""	""	""	""	"O3-ethyl O5-(phenylmethyl) 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate"	""	"MRS-1191"	"CCOC(=O)C1=C(C)NC(=C(C1C#Cc1ccccc1)C(=O)OCc1ccccc1)c1ccccc1"	"SNVFDPHQAOXWJZ-UHFFFAOYSA-N"	"InChI=1S/C31H27NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18,26,32H,3,21H2,1-2H3"	""	""	""
"448"	"MRS1220"	""	"Synthetic organic"	""	""	""	""	"135650648"	"393595"	""	""	"CHEMBL88147"	""	""	""	""	"N-(9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenylacetamide"	""	"MRS 1220|MRS-1220"	"O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1"	"TWWFAXQOKNBUCR-UHFFFAOYSA-N"	"InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)"	""	""	""
"471"	"MRS1476"	""	"Synthetic organic"	""	""	""	""	"135650649"	"9885773"	""	""	"CHEMBL321845"	""	""	""	""	"ethyl 4,6-diethyl-5-ethylsulfanylcarbonyl-2-phenylpyridine-3-carboxylate"	""	"MRS-1476|MRS1191"	"CCOC(=O)c1c(nc(c(c1CC)C(=O)SCC)CC)c1ccccc1"	"WYZGZKCWULQWSH-UHFFFAOYSA-N"	"InChI=1S/C21H25NO3S/c1-5-15-17(21(24)26-8-4)16(6-2)22-19(14-12-10-9-11-13-14)18(15)20(23)25-7-3/h9-13H,5-8H2,1-4H3"	""	""	""
"12545"	"MRS-1477"	""	"Synthetic organic"	""	""	""	""	"479821335"	"9843337"	""	""	"CHEMBL511631"	""	""	""	""	"ethyl 4-ethyl-5-(2-methoxyethylsulfanylcarbonyl)-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate"	""	"MRS 1477|MRS1477"	"CCC1C(=C(NC(=C1C(=O)OCC)C2=CC=CC=C2)C)C(=O)SCCOC"	"DMVMFYWYJCPZGS-UHFFFAOYSA-N"	"InChI=1S/C21H27NO4S/c1-5-16-17(21(24)27-13-12-25-4)14(3)22-19(15-10-8-7-9-11-15)18(16)20(23)26-6-2/h7-11,16,22H,5-6,12-13H2,1-4H3"	""	""	""
"472"	"MRS1486"	""	"Synthetic organic"	""	""	""	""	"135650650"	"9843120"	""	""	"CHEMBL322524"	""	""	""	""	"ethyl 4-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-6-propylpyridine-3-carboxylate"	""	"MRS-1486"	"CCOC(=O)c1c(CC)c(C(=O)SCC)c(nc1c1ccccc1)CCC"	"GSMBGLUYORHXJR-UHFFFAOYSA-N"	"InChI=1S/C22H27NO3S/c1-5-12-17-18(22(25)27-8-4)16(6-2)19(21(24)26-7-3)20(23-17)15-13-10-9-11-14-15/h9-11,13-14H,5-8,12H2,1-4H3"	""	""	""
"473"	"MRS1505"	""	"Synthetic organic"	""	""	""	""	"135650651"	"9802941"	""	""	"CHEMBL108705"	""	""	""	""	"propyl 2-(3-chlorophenyl)-4,6-diethyl-5-propylsulfanylcarbonylpyridine-3-carboxylate"	""	"MRS-1505"	"CCCOC(=O)c1c(nc(c(c1CC)C(=O)SCCC)CC)c1cccc(c1)Cl"	"RPTCJTNYKDJGHU-UHFFFAOYSA-N"	"InChI=1S/C23H28ClNO3S/c1-5-12-28-22(26)20-17(7-3)19(23(27)29-13-6-2)18(8-4)25-21(20)15-10-9-11-16(24)14-15/h9-11,14H,5-8,12-13H2,1-4H3"	""	""	""
"474"	"MRS1523"	""	"Synthetic organic"	""	""	""	""	"135650652"	"3661570"	""	""	"CHEMBL111545"	""	""	""	""	"propyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propylpyridine-3-carboxylate"	""	"MRS 1523|MRS-1523"	"CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(nc1c1ccccc1)CC"	"UUSHFEVEROROSP-UHFFFAOYSA-N"	"InChI=1S/C23H29NO3S/c1-5-12-17-19(23(26)28-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)22(25)27-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3"	""	""	""
"3287"	"MRS1706"	""	"Synthetic organic"	""	""	""	""	"178100328"	"5139184"	""	""	"CHEMBL17002"	""	""	""	""	"N-(4-acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-1,2,3,6-tetrahydropurin-8-yl)phenoxy]acetamide"	""	"MRS 1706|MRS-1706"	"CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C"	"ZKUCFFYOQOJLGT-UHFFFAOYSA-N"	"InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30)"	""	""	""
"449"	"MRS1754"	""	"Synthetic organic"	""	""	""	""	"135650653"	"6603931"	""	""	"CHEMBL273807"	""	""	""	""	"N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide"	""	"MRS-1754"	"CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N"	"AJBBEYXFRYFVNM-UHFFFAOYSA-N"	"InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)"	""	""	""
"11231"	"MRS2159"	""	"Synthetic organic"	""	""	""	""	"434122291"	"5052387"	""	""	"CHEMBL119235"	""	""	""	""	"4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzoic acid"	""	"MRS-2159"	"O=Cc1c(COP(=O)(O)O)c(N=Nc2ccc(cc2)C(=O)O)nc(c1O)C"	"NPBWMMRUXMTIRC-UHFFFAOYSA-N"	"InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)"	""	""	""
"1720"	"MRS2179"	""	"Synthetic organic"	""	""	""	""	"135650654"	"24867852"	""	""	""	""	""	""	""	"[2-[(hydroxy-oxidophosphoryl)oxymethyl]-5-(6-methylaminopurin-9-yl)oxolan-3-yl] hydrogen phosphate"	""	"MRS-2179"	"CNc1ncnc2c1ncn2[C@H]1C[C@@H]([C@H](O1)COP(=O)(O)[O-])OP(=O)(O)[O-]"	"CCPLITQNIFLYQB-XLPZGREQSA-L"	"InChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/p-2/t6-,7+,8+/m0/s1"	""	""	""
"1777"	"MRS2211"	""	"Synthetic organic"	""	""	""	""	"135650655"	"136078744"	""	""	""	""	""	""	""	""	""	"MRS-2211"	"OCc1c(COP(=O)(O)O)c(/N=N/c2cc(ccc2Cl)N(=O)=O)nc(c1O)C"	"RYOZMXBRDOGYMB-ISLYRVAYSA-N"	"InChI=1S/C14H14ClN4O8P/c1-7-13(21)9(5-20)10(6-27-28(24,25)26)14(16-7)18-17-12-4-8(19(22)23)2-3-11(12)15/h2-4,20-21H,5-6H2,1H3,(H2,24,25,26)/b18-17+"	""	""	""
"6496"	"MRS 2219"	""	"Synthetic organic"	""	""	""	""	"178103110"	"3960826"	""	""	"CHEMBL74121"	""	""	""	""	"4-hydroxy-10-methyl-4-oxo-3,5-dioxa-9-aza-4$l^{5}-phosphabicyclo[5.4.0]undeca-1(11),7,9-trien-11-ol"	""	"MRS-2220|MRS2219"	"Cc1ncc2c(c1O)COP(=O)(OC2)O"	"KCAJHODRYGNBSX-UHFFFAOYSA-N"	"InChI=1S/C8H10NO5P/c1-5-8(10)7-4-14-15(11,12)13-3-6(7)2-9-5/h2,10H,3-4H2,1H3,(H,11,12)"	""	""	""
"1721"	"MRS2279"	""	"Synthetic organic"	""	""	""	""	"135650656"	"5311301"	""	""	""	""	""	""	""	"[(1S,2R,4R)-4-[(2-chloro-6-methylaminopurin-9-yl)methyl]-2-(phosphonooxymethyl)cyclopentyl] dihydrogen phosphate"	""	"MRS-2279"	"CNc1nc(Cl)nc2c1ncn2C[C@H]1C[C@@H]([C@H](C1)COP(=O)(O)O)OP(=O)(O)O"	"LPZJKPSGEADHTQ-HLTSFMKQSA-N"	"InChI=1S/C13H20ClN5O8P2/c1-15-11-10-12(18-13(14)17-11)19(6-16-10)4-7-2-8(5-26-28(20,21)22)9(3-7)27-29(23,24)25/h6-9H,2-5H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t7-,8-,9+/m1/s1"	""	""	""
"1722"	"MRS2298"	""	"Synthetic organic"	""	""	""	""	"135650657"	"10432920"	""	""	"CHEMBL104784"	""	""	""	""	"[2-[(2-chloro-6-methylaminopurin-9-yl)methyl]-3-phosphonooxypropyl] dihydrogen phosphate"	""	"MRS 2298|MRS-2298"	"CNc1nc(Cl)nc2c1ncn2CC(COP(=O)(O)O)COP(=O)(O)O"	"GMCUIIHBWNOHIM-UHFFFAOYSA-N"	"InChI=1S/C10H16ClN5O8P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23-25(17,18)19)4-24-26(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)"	""	""	""
"3338"	"MRS2365"	""	"Synthetic organic"	""	""	""	""	"178100369"	"73755043"	""	""	""	""	""	""	""	"[(1R,2R,3S,5S)-4-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-2,3-dihydroxybicyclo[3.1.0]hexan-1-yl]methyl sodium {[bis(sodiooxy)phosphoryl]oxy}phosphonate"	""	"(N)-methanocarba-2-MeSADP|MRS 2365"	"CSc1nc(N)c2c(n1)n(cn2)C1[C@H](O)[C@@H]([C@]2([C@@H]1C2)COP(=O)(OP(=O)(O[Na])O[Na])O[Na])O"	"ZYPJOXVKTCEBCA-PVMCGCOJSA-K"	"InChI=1S/C13H19N5O9P2S.3Na/c1-30-12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,9(20)8(7)19)3-26-29(24,25)27-28(21,22)23;;;/h4-5,7-9,19-20H,2-3H2,1H3,(H,24,25)(H2,14,16,17)(H2,21,22,23);;;/q;3*+1/p-3/t5-,7?,8+,9+,13+;;;/m1.../s1"	""	""	""
"1723"	"MRS2496"	""	"Synthetic organic"	""	""	""	""	"135650658"	"10894633"	""	""	"CHEMBL153254"	""	""	""	""	"[2-[(2-chloro-6-methylaminopurin-9-yl)methyl]-3-phosphonopropyl]phosphonic acid"	""	"MRS-2496"	"CNc1nc(Cl)nc2c1ncn2CC(CP(=O)(O)O)CP(=O)(O)O"	"FFBIISIICFTESN-UHFFFAOYSA-N"	"InChI=1S/C10H16ClN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)"	""	""	""
"1724"	"MRS2500"	""	"Synthetic organic"	""	""	""	""	"135650659"	"44448831"	""	""	"CHEMBL444278"	""	""	""	""	"[(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate"	""	"MRS 2500|MRS-2500"	"CNc1nc(I)nc2c1ncn2[C@H]1C[C@@H]([C@]2([C@@H]1C2)COP(=O)(O)O)OP(=O)(O)O"	"NMVWLEUONAKGCD-SMWKGLLFSA-N"	"InChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1"	""	""	""
"14540"	"MRS-2541"	""	"Synthetic organic"	""	""	""	""	"528429861"	"172606457"	""	""	""	""	""	""	""	"5-(2-chloro-4,5-dimethoxyphenyl)-2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-6-fluoroimidazo[1,2-a]pyrazine"	""	""	"COC1=C(C=C(C(=C1)C2=C(N=CC3=NC(=CN32)CC4=NC5=C(N4)C=CC(=N5)Cl)F)Cl)OC"	"LBCDTMIQCKXLSS-UHFFFAOYSA-N"	"InChI=1S/C21H15Cl2FN6O2/c1-31-14-6-11(12(22)7-15(14)32-2)19-20(24)25-8-18-26-10(9-30(18)19)5-17-27-13-3-4-16(23)28-21(13)29-17/h3-4,6-9H,5H2,1-2H3,(H,27,28,29)"	""	""	"yes"
"1752"	"MRS2567"	""	"Synthetic organic"	""	""	""	""	"135650660"	"11266452"	""	""	""	""	""	""	""	"1-isothiocyanato-4-[2-(4-isothiocyanatophenyl)ethyl]benzene"	""	""	"S=C=Nc1ccc(cc1)CCc1ccc(cc1)N=C=S"	"KGPFLJVFCCOOEO-UHFFFAOYSA-N"	"InChI=1S/C16H12N2S2/c19-11-17-15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)18-12-20/h3-10H,1-2H2"	""	""	""
"1753"	"MRS2578"	""	"Synthetic organic"	""	""	""	""	"135650661"	"16078986"	""	""	"CHEMBL1321988"	""	""	""	""	"3-(3-isothiocyanatophenyl)-1-[4-[(3-isothiocyanatophenyl)carbamothioylamino]butyl]thiourea"	""	"MRS 2578|MRS-2578"	"S=C=Nc1cccc(c1)NC(=S)NCCCCNC(=S)Nc1cccc(c1)N=C=S"	"QOHNRGHTJPFMSL-UHFFFAOYSA-N"	"InChI=1S/C20H20N6S4/c27-13-23-15-5-3-7-17(11-15)25-19(29)21-9-1-2-10-22-20(30)26-18-8-4-6-16(12-18)24-14-28/h3-8,11-12H,1-2,9-10H2,(H2,21,25,29)(H2,22,26,30)"	"yes"	""	""
"1778"	"MRS2603"	""	"Synthetic organic"	""	""	""	""	"135650662"	"135545444"	""	""	""	""	""	""	""	"[(2Z)-2-[(4-chloro-3-nitrophenyl)hydrazinylidene]-4-formyl-6-methyl-5-oxopyridin-3-yl]methyl dihydrogen phosphate"	""	"MRS 2603"	"O=CC1=C(COP(=O)(O)O)/C(=N/Nc2ccc(c(c2)[N+](=O)[O-])Cl)/N=C(C1=O)C"	"QFNNQKZCKPHORP-JXAWBTAJSA-N"	"InChI=1S/C14H12ClN4O8P/c1-7-13(21)9(5-20)10(6-27-28(24,25)26)14(16-7)18-17-8-2-3-11(15)12(4-8)19(22)23/h2-5,17H,6H2,1H3,(H2,24,25,26)/b18-14-"	""	""	""
"3337"	"MRS2690"	""	"Synthetic organic"	""	""	""	""	"178100368"	"73755042"	""	""	""	""	""	""	""	"sodium (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl [({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(sodiooxy)phosphoryl)oxy]phosphonate"	""	"MRS 2690|MRS-2690"	"OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=S)O[Na])O[Na])[C@@H]([C@H]([C@@H]1O)O)O"	"TYVFMVSNSGMZPA-QBNUFUENSA-L"	"InChI=1S/C15H24N2O16P2S.2Na/c18-3-5-8(20)10(22)12(24)14(31-5)32-35(27,28)33-34(25,26)29-4-6-9(21)11(23)13(30-6)17-2-1-7(19)16-15(17)36;;/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,25,26)(H,27,28)(H,16,19,36);;/q;2*+1/p-2/t5-,6-,8-,9-,10+,11-,12-,13-,14-;;/m1../s1"	""	""	""
"1747"	"MRS2693"	""	"Synthetic organic"	""	""	""	""	"135650663"	"44415771"	""	""	"CHEMBL1199729"	""	""	""	""	"[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-iodo-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid"	""	"5-iodo-UDP|5-iodo-uridine-5'-diphosphate|MRS 2693|MRS-2693"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1c(I)cc(=O)[nH]c1=O"	"ZPKIYZBENSTKTC-YXZULKJRSA-N"	"InChI=1S/C9H13IN2O12P2/c10-4-1-5(13)11-9(16)12(4)8-7(15)6(14)3(23-8)2-22-26(20,21)24-25(17,18)19/h1,3,6-8,14-15H,2H2,(H,20,21)(H,11,13,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1"	""	""	""
"1733"	"MRS2698"	""	"Synthetic organic"	""	""	""	""	"135650664"	"16116566"	""	""	"CHEMBL373780"	""	""	""	""	"[(2R,3S,4R,5R)-4-amino-3-hydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate"	""	"2'-amino-2-thio-UTP|MRS-2698"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1N)n1ccc(=O)[nH]c1=S"	"UWTUUIWWVPWHAA-XVFCMESISA-N"	"InChI=1S/C9H16N3O13P3S/c10-6-7(14)4(23-8(6)12-2-1-5(13)11-9(12)29)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,4,6-8,14H,3,10H2,(H,18,19)(H,20,21)(H,11,13,29)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1"	""	""	""
"4043"	"MRS2768"	""	"Synthetic organic"	""	""	""	""	"178100867"	"73755072"	""	""	""	""	""	""	""	"[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy(phenoxy)phosphoryl]oxyphosphoryl] hydrogen phosphate"	""	"uridine-5'-tetraphosphate &delta;-phenyl ester"	"C[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(Oc2ccccc2)O)O)O)O)O[C@H]([C@@H]1C)n1ccc(=O)[nH]c1=O"	"ACRDMMYBLHHSSD-KLZCAUPSSA-N"	"InChI=1S/C17H24N2O16P4/c1-11-12(2)16(19-9-8-15(20)18-17(19)21)31-14(11)10-30-36(22,23)33-38(26,27)35-39(28,29)34-37(24,25)32-13-6-4-3-5-7-13/h3-9,11-12,14,16H,10H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,18,20,21)/t11-,12+,14+,16+/m0/s1"	""	""	""
"1748"	"MRS2782"	""	"Synthetic organic"	""	""	""	""	"135650665"	"44585949"	""	""	""	""	""	""	""	"[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid"	""	"Uridine-5'-&alpha;,&beta;-methylene-diphosphate triethylammonium salt"	"O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O"	"PDEGDTTUBZXACY-ZOQUXTDFSA-N"	"InChI=1S/C10H16N2O11P2/c13-6-1-2-12(10(16)11-6)9-8(15)7(14)5(23-9)3-22-25(20,21)4-24(17,18)19/h1-2,5,7-9,14-15H,3-4H2,(H,20,21)(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1"	""	""	""
"5909"	"MRS2802"	""	"Synthetic organic"	""	""	""	""	"178102532"	"91827349"	""	""	""	""	""	""	""	""	""	""	"O[C@H]1[C@@H](COP(=O)(C(P(=O)(O)O)(F)F)O)O[C@H]([C@H]1O)n1ccc(=O)[nH]c1=O"	"JKJYHYKRGKKASI-YDKYIBAVSA-N"	"InChI=1S/C10H14F2N2O11P2/c11-10(12,26(19,20)21)27(22,23)24-3-4-6(16)7(17)8(25-4)14-2-1-5(15)13-9(14)18/h1-2,4,6-8,16-17H,3H2,(H,22,23)(H,13,15,18)(H2,19,20,21)/t4-,6+,7+,8-/m1/s1"	""	""	""
"5908"	"MRS2905"	""	"Synthetic organic"	""	""	""	""	"178102531"	"91827348"	""	""	""	""	""	""	""	""	""	""	"O[C@H]1[C@@H](COP(=O)(CCP(=O)(O)O)O)O[C@H]([C@H]1O)n1ccc(=O)[nH]c1=S"	"RCFKBLDZKDFBNO-DOWZNPNQSA-N"	"InChI=1S/C11H18N2O10P2S/c14-7-1-2-13(11(26)12-7)10-9(16)8(15)6(23-10)5-22-25(20,21)4-3-24(17,18)19/h1-2,6,8-10,15-16H,3-5H2,(H,20,21)(H,12,14,26)(H2,17,18,19)/t6-,8+,9+,10-/m1/s1"	""	""	""
"6199"	"MRS2927"	""	"Synthetic organic"	""	""	""	""	"178102820"	"91827350"	""	""	""	""	""	""	""	""	""	"compound 34 [PMID:21528910]|Up<sub>4</sub> -[1]3'-deoxy-3'-fluoroglucose"	"OC[C@H]1O[C@H](OP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)C2C=CC(=O)NC2=O)O)O)O)O)[C@@H]([C@H]([C@@H]1O)F)O"	"SMNRFWMNPDABKZ-WVALLCKVSA-N"	"InChI=1S/C16H26FNO22P4/c17-9-10(21)6(3-19)36-16(12(9)23)37-42(28,29)39-44(32,33)40-43(30,31)38-41(26,27)34-4-7-11(22)13(24)14(35-7)5-1-2-8(20)18-15(5)25/h1-2,5-7,9-14,16,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,18,20,25)/t5?,6-,7-,9+,10-,11-,12-,13-,14+,16-/m1/s1"	""	""	""
"5809"	"MRS2950"	""	"Synthetic organic"	""	""	""	""	"178102434"	"73755158"	""	""	""	""	""	""	""	"1-(3,4-dichlorophenyl)-3-[4-[[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-dimethylidene-$l^{6}-sulfanyl]phenyl]urea"	""	""	"O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)S(=C)(=C)Nc1onc(c1C)C"	"ZRNSPTWPSVBOTC-UHFFFAOYSA-N"	"InChI=1S/C20H20Cl2N4O2S/c1-12-13(2)25-28-19(12)26-29(3,4)16-8-5-14(6-9-16)23-20(27)24-15-7-10-17(21)18(22)11-15/h5-11,26H,3-4H2,1-2H3,(H2,23,24,27)"	""	""	""
"5903"	"MRS2957"	""	"Synthetic organic"	""	""	""	""	"178102526"	"91827347"	""	""	""	""	""	""	""	""	""	"MRS 2957"	"CO/N=c\1/ccn(c(=O)[nH]1)[C@@H]1O[C@@H]([C@@H]([C@@H]1O)O)COP(=O)(OP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@H]([C@H]1O)O)n1ccc(=O)[nH]c1=O)O)O)O"	"SIKKMGJHOOQSAP-AOUMTEFLSA-N"	"InChI=1S/C19H28N5O20P3/c1-38-22-10-2-4-23(18(30)20-10)16-14(28)12(26)8(41-16)6-39-45(32,33)43-47(36,37)44-46(34,35)40-7-9-13(27)15(29)17(42-9)24-5-3-11(25)21-19(24)31/h2-5,8-9,12-17,26-29H,6-7H2,1H3,(H,32,33)(H,34,35)(H,36,37)(H,20,22,30)(H,21,25,31)/t8-,9-,12+,13+,14+,15+,16-,17-/m1/s1"	""	""	""
"5601"	"MRS3558"	""	"Synthetic organic"	""	""	""	""	"178102236"	"11248240"	""	""	"CHEMBL175543"	""	""	""	""	"(1S,2R,3S,4R,5S)-4-[2-chloro-6-[(3-chlorophenyl)methylamino]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide"	""	"CF502|MRS 3558|MRS-3558"	"CNC(=O)[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)Cl"	"GAYWHRPOIWFKIF-DDDALXFXSA-N"	"InChI=1S/C20H20Cl2N6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(22)27-17(12)28)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1"	""	""	""
"4044"	"MRS4062"	""	"Synthetic organic"	""	""	""	""	"178100868"	"53262902"	""	""	""	""	""	""	""	"[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(3-phenylpropoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate"	""	"MRS 4062|MRS-4062|N<sup>4</sup>-phenylpropoxycytidine-5'-triphosphate"	"O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cc/c(=N/OCCCc2ccccc2)/[nH]c1=O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O"	"FAYLMQPZASAIOS-MWQQHZPXSA-N"	"InChI=1S/C18H26N3O15P3/c22-15-13(11-33-38(28,29)36-39(30,31)35-37(25,26)27)34-17(16(15)23)21-9-8-14(19-18(21)24)20-32-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,13,15-17,22-23H,4,7,10-11H2,(H,28,29)(H,30,31)(H,19,20,24)(H2,25,26,27)/t13-,15-,16-,17-/m1/s1"	""	""	""
"9469"	"MRS4162-BODIPY conjugate"	""	"Synthetic organic"	""	""	"yes"	""	"329968409"	"90656230"	""	""	"CHEMBL3261378"	""	""	""	""	""	""	"BODIPY 630/650 conjugate 28"	"O=C(COc1ccc(cc1)CCCONc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O)NCCc1nnn(c1)CCCNC(=O)CCCCCNC(=O)COc1ccc(cc1)/C=C/c1ccc2n1[B-](F)(F)[N+]1=C(C=CC1=C2)c1cccs1"	"IKFGJXBDIZQEHP-NJFIWEGUSA-N"	"InChI=1S/C56H67BF2N11O20P3S/c58-57(59)69-41(16-17-42(69)33-43-18-23-46(70(43)57)48-8-5-32-94-48)15-10-39-13-21-45(22-14-39)84-36-51(72)61-26-3-1-2-9-50(71)60-27-6-29-67-34-40(64-66-67)24-28-62-52(73)37-85-44-19-11-38(12-20-44)7-4-31-86-65-49-25-30-68(56(76)63-49)55-54(75)53(74)47(88-55)35-87-92(80,81)90-93(82,83)89-91(77,78)79/h5,8,10-23,25,30,32-34,47,53-55,74-75H,1-4,6-7,9,24,26-29,31,35-37H2,(H,60,71)(H,61,72)(H,62,73)(H,80,81)(H,82,83)(H,63,65,76)(H2,77,78,79)/b15-10+/t47-,53-,54-,55-/m1/s1"	""	""	""
"9470"	"MRS4174"	""	"Synthetic organic"	""	""	"yes"	""	"329968410"	"124221650"	""	""	""	""	""	""	""	""	""	"derivative 30 [PMID: 25299434]"	"O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O"	"FMXSYRBHGUMFBA-UHFFFAOYSA-N"	"InChI=1S/C62H58F3N7O12S2/c63-62(64,65)44-16-12-37(13-17-44)40-14-18-46-42(31-40)32-43(60(74)75)34-50(46)39-10-8-36(9-11-39)38-24-29-71(30-25-38)27-6-3-7-45-35-72(70-69-45)28-5-2-1-4-26-68-59(73)41-15-19-47(51(33-41)61(76)77)54-48-20-22-52(66)57(85(78,79)80)55(48)84-56-49(54)21-23-53(67)58(56)86(81,82)83/h8-23,31-35,38,66H,1-7,24-30,67H2,(H,68,73)(H,74,75)(H,76,77)(H,78,79,80)(H,81,82,83)"	""	""	""
"9471"	"MRS4183"	""	"Synthetic organic"	""	""	"yes"	""	"329968411"	"124221652"	""	""	""	""	""	""	""	""	""	"compound 11 [PMID: 26303895]"	"O=C(COc1ccc(cc1)C1=[N+]2C(=Cc3n([B-]2(F)F)c(cc3)c2cccs2)C=C1)NCCCCCNC(=O)[C@H]1O[C@H](OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O"	"DXQJLXWZLNCEJX-VBCGWZPHSA-N"	"InChI=1S/C41H47BF2N6O19P2S/c43-42(44)49-23(19-24-9-13-27(50(24)42)29-5-4-18-72-29)8-12-26(49)22-6-10-25(11-7-22)64-21-31(52)45-15-2-1-3-16-46-38(58)37-34(55)33(54)36(57)40(67-37)68-71(62,63)69-70(60,61)65-20-28-32(53)35(56)39(66-28)48-17-14-30(51)47-41(48)59/h4-14,17-19,28,32-37,39-40,53-57H,1-3,15-16,20-21H2,(H,45,52)(H,46,58)(H,60,61)(H,62,63)(H,47,51,59)/t28?,32?,33-,34-,35?,36+,37-,39?,40+/m0/s1"	""	""	""
"9998"	"MRS4458"	""	"Synthetic organic"	""	""	""	""	"374883885"	"134611895"	""	""	""	""	""	""	""	"3-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-5-{4-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-1-yl}benzoic acid"	""	"compound 20 [Yu <i>et al.</i>, 2018]"	"NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O"	"VYXSDIPOJBFWHQ-UHFFFAOYSA-N"	"InChI=1S/C24H20F3N5O3S/c25-24(26,27)17-4-2-14(3-5-17)19-13-32(31-30-19)18-11-15(10-16(12-18)23(34)35)20-6-7-21(36-20)22(33)29-9-1-8-28/h2-7,10-13H,1,8-9,28H2,(H,29,33)(H,34,35)"	"yes"	""	""
"9999"	"MRS4478"	""	"Synthetic organic"	""	""	""	""	"374883886"	"134611896"	""	""	""	""	""	""	""	"4'-carbamoyl-5-{4-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-1-yl}-[1,1'-biphenyl]-3-carboxylic acid"	""	"compound 30 [Yu <i>et al.</i>, 2018]"	"OC(=O)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N"	"ODSCFSVBFVSJFO-UHFFFAOYSA-N"	"InChI=1S/C23H15F3N4O3/c24-23(25,26)18-7-5-14(6-8-18)20-12-30(29-28-20)19-10-16(9-17(11-19)22(32)33)13-1-3-15(4-2-13)21(27)31/h1-12H,(H2,27,31)(H,32,33)"	"yes"	""	""
"11453"	"MRS4625"	""	"Synthetic organic"	""	""	""	""	"440816822"	"155817521"	""	""	""	""	""	""	""	"4-[4-(1-methoxypiperidin-4-yl)phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid"	""	"compound 4 [PMID: 32551012]|MRS-4625"	"CON1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O"	"AHFBZYAJIRDUHZ-UHFFFAOYSA-N"	"InChI=1S/C30H26F3NO3/c1-37-34-14-12-21(13-15-34)19-2-4-22(5-3-19)28-18-25(29(35)36)17-24-16-23(8-11-27(24)28)20-6-9-26(10-7-20)30(31,32)33/h2-11,16-18,21H,12-15H2,1H3,(H,35,36)"	""	""	""
"14170"	"MRS4654"	""	"Synthetic organic"	""	""	""	""	"518520797"	"164585602"	""	""	"CHEMBL4864408"	""	""	""	""	"4-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid"	""	"compound 32 [PMID: 33787273]|MRS-4654"	"OCC1=CC(=NO1)C2=CC=C(C=C2)C3=CC(=CC4=CC(=CC=C34)C5=CC=C(C=C5)C(F)(F)F)C(=O)O"	"DGWKKXZJRYOKLQ-UHFFFAOYSA-N"	"InChI=1S/C28H18F3NO4/c29-28(30,31)22-8-5-16(6-9-22)19-7-10-24-20(11-19)12-21(27(34)35)13-25(24)17-1-3-18(4-2-17)26-14-23(15-33)36-32-26/h1-14,33H,15H2,(H,34,35)"	""	""	""
"14171"	"MRS4738"	""	"Synthetic organic"	""	""	""	""	"518520798"	"163322040"	""	""	""	""	""	""	""	"4-[4-[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid"	""	"compound 15 [PMID:35113556]|MRS-4738"	"C1[C@@H]2C[C@@H]([C@H]1CN2)C3=CC=C(C=C3)C4=C5C=CC(=CC5=CC(=C4)C(=O)O)C6=CC=C(C=C6)C(F)(F)F"	"PXJXLYRJAGOTQU-DFZDUAMZSA-N"	"InChI=1S/C30H24F3NO2/c31-30(32,33)24-8-5-17(6-9-24)20-7-10-26-21(11-20)12-22(29(35)36)14-28(26)19-3-1-18(2-4-19)27-15-25-13-23(27)16-34-25/h1-12,14,23,25,27,34H,13,15-16H2,(H,35,36)/t23-,25-,27-/m1/s1"	""	""	""
"14172"	"MRS4833"	""	"Synthetic organic"	""	""	""	""	"518520799"	"171378581"	""	""	"CHEMBL5399275"	""	""	""	""	"4-[4-[(1R,5S)-6-hydroxy-3-azabicyclo[3.1.1]heptan-6-yl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid"	""	"compound 15 [PMID: 37382926]|MRS-4833"	"C1[C@@H]2CNC[C@H]1C2(C3=CC=C(C=C3)C4=C5C=CC(=CC5=CC(=C4)C(=O)O)C6=CC=C(C=C6)C(F)(F)F)O"	"BFIYEIMEFITOEG-CIYIZKPCSA-N"	"InChI=1S/C30H24F3NO3/c31-30(32,33)23-8-1-17(2-9-23)19-5-10-26-20(11-19)12-21(28(35)36)13-27(26)18-3-6-22(7-4-18)29(37)24-14-25(29)16-34-15-24/h1-13,24-25,34,37H,14-16H2,(H,35,36)/t24-,25+,29?"	""	""	""
"14163"	"MRS4841"	""	"Synthetic organic"	""	""	""	""	"518520790"	"176516528"	""	""	""	""	""	""	""	"6,8-difluoro-3-nitro-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran"	""	"compound 2b [PMID: 39195256]|MRS-4841"	"FC=1C=C(C2=C(CC(C(O2)C(F)(F)F)[N+](=O)[O-])C1)F"	"DVBQKCQJERNQCA-UHFFFAOYSA-N"	"InChI=1S/C10H6F5NO3/c11-5-1-4-2-7(16(17)18)9(10(13,14)15)19-8(4)6(12)3-5/h1,3,7,9H,2H2"	""	""	""
"5622"	"MRS5151"	""	"Synthetic organic"	""	""	""	""	"178102256"	"91827346"	""	""	""	""	""	""	""	""	""	""	"CNC(=O)[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1C#CCCCC(=O)O)Cl"	"CYQQUPOETXXUCK-CSTWGOEFSA-N"	"InChI=1S/C26H27ClN6O5/c1-28-25(38)26-10-16(26)20(21(36)22(26)37)33-13-32-19-23(30-12-31-24(19)33)29-11-14-6-5-8-17(27)15(14)7-3-2-4-9-18(34)35/h5-6,8,12-13,16,20-22,36-37H,2,4,9-11H2,1H3,(H,28,38)(H,34,35)(H,29,30,31)/t16-,20-,21+,22+,26+/m1/s1"	""	""	""
"8421"	"MRS5698"	""	"Synthetic organic"	""	""	""	""	"252166631"	"57523213"	""	""	"CHEMBL2064657"	""	""	""	""	"(1S,2R,3S,4R,5S)-4-(6-{[(3-chlorophenyl)methyl]amino}-2-[2-(3,4-difluorophenyl)ethynyl]-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide"	""	"MRS 5698|MRS-5698"	"CNC(=O)[C@@]12C[C@@H]1[C@H]([C@@H]([C@@H]2O)O)n1cnc2c1nc(C#Cc1ccc(c(c1)F)F)nc2NCc1cccc(c1)Cl"	"LYLLLJJYBWLGHW-CIZVZKTGSA-N"	"InChI=1S/C28H23ClF2N6O3/c1-32-27(40)28-11-17(28)22(23(38)24(28)39)37-13-34-21-25(33-12-15-3-2-4-16(29)9-15)35-20(36-26(21)37)8-6-14-5-7-18(30)19(31)10-14/h2-5,7,9-10,13,17,22-24,38-39H,11-12H2,1H3,(H,32,40)(H,33,35,36)/t17-,22-,23+,24+,28+/m1/s1"	""	""	""
"14222"	"MRS5980"	""	"Synthetic organic"	""	""	""	""	"521588862"	"118730351"	""	""	"CHEMBL3407784"	""	""	""	""	"(1S,2R,3S,4R,5S)-4-[2-[2-(5-chlorothiophen-2-yl)ethynyl]-6-(methylamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide"	""	"MRS-5980"	"CNC1=C2C(=NC(=N1)C#CC3=CC=C(S3)Cl)N(C=N2)[C@@H]4[C@H]5C[C@]5([C@H]([C@H]4O)O)C(=O)NC"	"RVLAHZAHALVQKF-AQPYCOETSA-N"	"InChI=1S/C20H19ClN6O3S/c1-22-17-13-18(26-12(25-17)6-4-9-3-5-11(21)31-9)27(8-24-13)14-10-7-20(10,19(30)23-2)16(29)15(14)28/h3,5,8,10,14-16,28-29H,7H2,1-2H3,(H,23,30)(H,22,25,26)/t10-,14-,15+,16+,20+/m1/s1"	""	""	""
"10235"	"MRS7469"	""	"Synthetic organic"	""	""	""	""	"381744917"	"137553161"	""	""	""	""	""	""	""	"(1R,2R,3S,4R,5S)-4-{2-chloro-6-[(dicyclobutylmethyl)amino]-9H-purin-9-yl}-1-(hydroxymethyl)bicyclo[3.1.0]hexane-2,3-diol"	""	""	"OC[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC(C1CCC1)C1CCC1"	"KATPAPFGRPJUHJ-MXKWNSRKSA-N"	"InChI=1S/C21H28ClN5O3/c22-20-25-18(24-13(10-3-1-4-10)11-5-2-6-11)14-19(26-20)27(9-23-14)15-12-7-21(12,8-28)17(30)16(15)29/h9-13,15-17,28-30H,1-8H2,(H,24,25,26)/t12-,15-,16+,17+,21+/m1/s1"	""	""	""
"14223"	"MRS7799"	""	"Synthetic organic"	""	""	""	""	"521588863"	"22282339"	""	""	"CHEMBL2181976"	""	""	""	""	"N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide"	""	"compound 9 [PMID: 35450351]|DPTN|MRS-7799"	"CC1=CC(=CC(=C1)C2=C(SC(=N2)NC(=O)C3=CN=CC=C3)C4=CC=NC=C4)C"	"YDXZLBYHXZOWOC-UHFFFAOYSA-N"	"InChI=1S/C22H18N4OS/c1-14-10-15(2)12-18(11-14)19-20(16-5-8-23-9-6-16)28-22(25-19)26-21(27)17-4-3-7-24-13-17/h3-13H,1-2H3,(H,25,26,27)"	""	""	""
"12483"	"MRS8054"	""	"Synthetic organic"	""	""	""	""	"479821273"	"166176970"	""	""	""	""	""	""	""	"2-heptan-4-yl-N-(4-iodophenyl)-3H-imidazo[4,5-c]quinolin-4-amine"	""	"compound 39 [PMID: 36367749]"	"IC=1C=CC(=CC1)NC2=NC3=C(C4=C2N=C(C(CCC)CCC)N4)C=CC=C3"	"PMLCQIVFRJHHRF-UHFFFAOYSA-N"	"InChI=1S/C23H25IN4/c1-3-7-15(8-4-2)22-27-20-18-9-5-6-10-19(18)26-23(21(20)28-22)25-17-13-11-16(24)12-14-17/h5-6,9-15H,3-4,7-8H2,1-2H3,(H,25,26)(H,27,28)"	""	""	""
"14224"	"MRS8247"	""	"Synthetic organic"	""	""	""	""	"521588864"	"172419450"	""	""	""	""	""	""	""	"N-[4-(10-aminodec-1-ynyl)phenyl]-2-heptan-4-yl-3H-imidazo[4,5-c]quinolin-4-amine"	""	"compound 26 [PMID: 38959401]|MRS-8247"	"CCCC(CCC)C1=NC2=C(N1)C(NC3=CC=C(C#CCCCCCCCCN)C=C3)=NC4=C2C=CC=C4"	"LFZSIMYZENEGOC-UHFFFAOYSA-N"	"InChI=1S/C33H43N5/c1-3-15-26(16-4-2)32-37-30-28-18-12-13-19-29(28)36-33(31(30)38-32)35-27-22-20-25(21-23-27)17-11-9-7-5-6-8-10-14-24-34/h12-13,18-23,26H,3-10,14-16,24,34H2,1-2H3,(H,35,36)(H,37,38)"	""	""	""
"401"	"MRS923"	""	"Synthetic organic"	""	""	""	""	"135650666"	"631105"	""	""	"CHEMBL75169"	""	""	""	""	"2-(2,4-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one"	""	""	"COc1ccc(c(c1)OC)c1oc2cc(OC)cc(c2c(=O)c1OC)OC"	"KPJGABLCRGWDRB-UHFFFAOYSA-N"	"InChI=1S/C20H20O7/c1-22-11-6-7-13(14(8-11)24-3)19-20(26-5)18(21)17-15(25-4)9-12(23-2)10-16(17)27-19/h6-10H,1-5H3"	""	""	""
"402"	"MRS928"	""	"Synthetic organic"	""	""	""	""	"135650667"	"117900"	""	""	"CHEMBL75772"	""	""	""	""	"3,5,7-trimethoxy-2-phenylchromen-4-one"	""	"galangin trimethyl ether"	"COc1cc(OC)c2c(c1)oc(c(c2=O)OC)c1ccccc1"	"CBTHKWVPSIGKMI-UHFFFAOYSA-N"	"InChI=1S/C18H16O5/c1-20-12-9-13(21-2)15-14(10-12)23-17(18(22-3)16(15)19)11-7-5-4-6-8-11/h4-10H,1-3H3"	""	""	""
"12629"	"MRT-2359"	""	"Synthetic organic"	""	""	""	""	"479821419"	"164584214"	""	""	""	""	""	""	""	"[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[2-fluoro-5-(trifluoromethoxy)phenyl]carbamate"	""	"MRT2359"	"FC1=CC=C(OC(F)(F)F)C=C1NC(=O)OCC2=CC3=C(CN(C4CCC(=O)NC4=O)C3=O)C=C2"	"HNTGMIGBGVFOBT-UHFFFAOYSA-N"	"InChI=1S/C22H17F4N3O6/c23-15-4-3-13(35-22(24,25)26)8-16(15)27-21(33)34-10-11-1-2-12-9-29(20(32)14(12)7-11)17-5-6-18(30)28-19(17)31/h1-4,7-8,17H,5-6,9-10H2,(H,27,33)(H,28,30,31)"	""	""	""
"14337"	"MRT-6160"	""	"Synthetic organic"	""	""	""	""	"523352129"	"171846794"	""	""	""	""	""	""	""	"3-[2-chloro-3-[4-(2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione"	""	"compound 161 [WO2024151547A1]|MRT6160"	"C1CC(=O)NC(=O)C1C2=CC=CC(=C2Cl)C3=CC=C(C=C3)N4C=CC=CC4=O"	"RIFDPWJLHNZGEX-UHFFFAOYSA-N"	"InChI=1S/C22H17ClN2O3/c23-21-16(4-3-5-17(21)18-11-12-19(26)24-22(18)28)14-7-9-15(10-8-14)25-13-2-1-6-20(25)27/h1-10,13,18H,11-12H2,(H,24,26,28)"	""	""	""
"8062"	"MRT67307"	""	"Synthetic organic"	""	""	""	""	"249565742"	"44464263"	""	""	""	""	""	""	""	"N-[3-[[5-cyclopropyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide"	""	"MRT-67307"	"O=C(C1CCC1)NCCCNc1nc(ncc1C1CC1)Nc1cccc(c1)CN1CCOCC1"	"UKBGBACORPRCGG-UHFFFAOYSA-N"	"InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)"	"yes"	""	""
"10332"	"MRT-92"	""	"Synthetic organic"	""	""	""	""	"381745013"	"136235465"	""	""	""	""	""	""	""	"3,4,5-trimethoxy-N-[N'-[4-methyl-3-[[4-(2-phenylethyl)benzoyl]amino]phenyl]carbamimidoyl]benzamide"	""	""	"COc1cc(cc(c1OC)OC)C(=O)NC(=N)Nc1ccc(c(c1)NC(=O)c1ccc(cc1)CCc1ccccc1)C"	"TVUOHEUCOWBVRU-UHFFFAOYSA-N"	"InChI=1S/C33H34N4O5/c1-21-10-17-26(35-33(34)37-32(39)25-18-28(40-2)30(42-4)29(19-25)41-3)20-27(21)36-31(38)24-15-13-23(14-16-24)12-11-22-8-6-5-7-9-22/h5-10,13-20H,11-12H2,1-4H3,(H,36,38)(H3,34,35,37,39)"	""	""	""
"11966"	"MRTX0902"	""	"Synthetic organic"	""	""	""	""	"464244107"	"156526655"	""	""	""	""	""	""	""	""	""	"MRTX-0902"	"C[C@@H](Nc1nnc(C)c2c1cc(nc2)N1CCOCC1)c1cccc(C#N)c1C"	"ILPWEAHQRAWJIU-OAHLLOKOSA-N"	"InChI=1S/C22H24N6O/c1-14-17(12-23)5-4-6-18(14)15(2)25-22-19-11-21(28-7-9-29-10-8-28)24-13-20(19)16(3)26-27-22/h4-6,11,13,15H,7-10H2,1-3H3,(H,25,27)/t15-/m1/s1"	""	""	""
"11851"	"MRTX1133"	""	"Synthetic organic"	""	""	""	""	"461663407"	"162369732"	""	""	""	""	""	""	""	""	""	"compound 1 [PMID: 34889605]|MRTX-1133"	"[C@H]12CN(C[C@H](CC1)N2)c1c2c(nc(n1)OC[C@@]13CCCN1C[C@@H](C3)F)c(c(nc2)c1cc(cc2ccc(c(c12)C#C)F)O)F"	"SCLLZBIBSFTLIN-INOGPEIASA-N"	"InChI=1S/C33H31F3N6O2/c1-2-23-26(35)7-4-18-10-22(43)11-24(27(18)23)29-28(36)30-25(13-37-29)31(41-15-20-5-6-21(16-41)38-20)40-32(39-30)44-17-33-8-3-9-42(33)14-19(34)12-33/h1,4,7,10-11,13,19-21,38,43H,3,5-6,8-9,12,14-17H2/t19-,20-,21+,33+/m1/s1"	""	""	""
"8955"	"MS023"	""	"Synthetic organic"	""	""	""	""	"310264736"	"92136227"	""	""	""	""	""	""	""	"(2-aminoethyl)(methyl)({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)amine"	""	""	"NCCN(Cc1c[nH]cc1c1ccc(cc1)OC(C)C)C"	"FMTVWAGUJRUAKE-UHFFFAOYSA-N"	"InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3"	""	""	""
"9529"	"MS049"	""	"Synthetic organic"	""	""	""	""	"336446915"	"53868701"	""	""	""	""	""	""	""	"N-methyl-2-(4-phenylmethoxypiperidin-1-yl)ethanamine"	""	"compound 17 [PMID: 27584694]"	"CNCCN1CCC(CC1)OCc1ccccc1"	"HBOJWAYLSJLULG-UHFFFAOYSA-N"	"InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3"	""	""	""
"1322"	"MS05"	""	"Peptide"	""	""	""	""	"135652303"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"13058"	"MS102"	""	"Synthetic organic"	""	""	""	""	"491299840"	"171037435"	""	""	""	""	""	""	""	"N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylbenzenesulfonamido)-5-(trifluoromethyl)benzamide"	""	"compound #56 [PMID: 38055802]|MS-102"	"CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2C(=O)NC3=NC(=CS3)C4=CC=C(Br)C=C4)C(F)(F)F"	"KLWZKWRHGMGJRU-UHFFFAOYSA-N"	"InChI=1S/C24H17BrF3N3O3S2/c1-14-2-9-18(10-3-14)36(33,34)31-20-11-6-16(24(26,27)28)12-19(20)22(32)30-23-29-21(13-35-23)15-4-7-17(25)8-5-15/h2-13,31H,1H3,(H,29,30,32)"	""	""	""
"13043"	"MS132"	""	"Synthetic organic"	""	""	""	""	"491299825"	"153379991"	""	""	""	""	""	""	""	"N-[5-[2-fluoro-5-[[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]phenyl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide"	""	"compound 11 [PMID: 38019706]|MS-132|XF056-132"	"CN1[C@H](C)CN(C[C@@H]1C)C2=C(NC(C3=CNC(C=C3C(F)(F)F)=O)=O)C=C(C4=CC(C(NCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=O)=CC=C4F)C=C2"	"OJCYPKZNPSJLGY-KQNJQULYSA-N"	"InChI=1S/C51H57F4N9O7S/c1-27-23-63(24-28(2)62(27)7)40-15-13-32(17-39(40)60-47(69)36-21-56-42(66)19-37(36)51(53,54)55)35-16-33(12-14-38(35)52)46(68)58-22-43(67)61-45(50(4,5)6)49(71)64-25-34(65)18-41(64)48(70)57-20-30-8-10-31(11-9-30)44-29(3)59-26-72-44/h8-17,19,21,26-28,34,41,45,65H,18,20,22-25H2,1-7H3,(H,56,66)(H,57,70)(H,58,68)(H,60,69)(H,61,67)/t27-,28+,34-,41+,45-/m1/s1"	""	""	""
"12216"	"MS15"	""	"Synthetic organic"	""	""	""	""	"472319336"	"165368938"	""	""	""	""	""	""	""	""	""	"compound 62 [PMID: 36197750]"	"O=C(NCCCCCCCCCCC(=O)N[C@@H](C(C)(C)C)C(=O)N1[C@H](C(=O)N[C@@H](C)c2ccc(c3c(C)ncs3)cc2)C[C@@H](O)C1)CCc1cc(c2nc3c(nc(c4c(N)nccc4)n3c3ccc(C4(N)CCC4)cc3)cc2)ccc1"	"XYGBNRINQSQNJG-IQDHSYJRSA-N"	"InChI=1S/C64H79N11O5S/c1-41(44-22-24-45(25-23-44)56-42(2)69-40-81-56)70-61(79)53-38-49(76)39-74(53)62(80)57(63(3,4)5)73-55(78)20-12-10-8-6-7-9-11-13-35-67-54(77)32-21-43-17-14-18-46(37-43)51-30-31-52-60(71-51)75(59(72-52)50-19-15-36-68-58(50)65)48-28-26-47(27-29-48)64(66)33-16-34-64/h14-15,17-19,22-31,36-37,40-41,49,53,57,76H,6-13,16,20-21,32-35,38-39,66H2,1-5H3,(H2,65,68)(H,67,77)(H,70,79)(H,73,78)/t41-,49+,53-,57+/m0/s1"	""	""	""
"10635"	"MS154"	""	"Synthetic organic"	""	""	""	""	"404859082"	"145996534"	""	""	""	""	""	""	""	"3-(4-(3-((4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)propyl)piperazin-1-yl)-N-(8-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)octyl)propanamide"	""	"compound 10 [PMID: 31895569]"	"COc1cc2ncnc(c2cc1OCCCN1CCN(CC1)CCC(=O)NCCCCCCCCOc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)Nc1ccc(c(c1)Cl)F"	"ALKKWBPMCDDKKA-UHFFFAOYSA-N"	"InChI=1S/C46H54ClFN8O8/c1-62-38-28-35-32(43(51-29-50-35)52-30-12-13-34(48)33(47)26-30)27-39(38)64-25-9-18-54-20-22-55(23-21-54)19-16-40(57)49-17-6-4-2-3-5-7-24-63-37-11-8-10-31-42(37)46(61)56(45(31)60)36-14-15-41(58)53-44(36)59/h8,10-13,26-29,36H,2-7,9,14-25H2,1H3,(H,49,57)(H,50,51,52)(H,53,58,59)"	""	""	""
"13300"	"MS31"	""	"Synthetic organic"	""	""	""	""	"496703270"	"138455182"	""	""	"CHEMBL4552020"	""	""	""	""	"[3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxyphenyl]methanamine"	""	"compound 3 [PMID: 31260300]|MS-31"	"COC1=C(CN)C=C(CN)C=C1OCCCN2CC3=C(C2)C=CC=C3"	"XQQZNYFJATXWON-UHFFFAOYSA-N"	"InChI=1S/C20H27N3O2/c1-24-20-18(12-22)9-15(11-21)10-19(20)25-8-4-7-23-13-16-5-2-3-6-17(16)14-23/h2-3,5-6,9-10H,4,7-8,11-14,21-22H2,1H3"	""	""	""
"8876"	"MS363"	""	"Synthetic organic"	""	""	""	""	"252827533"	"136226511"	""	""	"CHEMBL3086885"	""	""	""	""	"4-[(2E)-2-(2-amino-3-chloro-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-N-pyridin-2-ylbenzenesulfonamide"	""	"compound 29"	"NC1=C(Cl)C(=O)C(=C/C/1=N\Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1)C"	"GLWPTCULLHMSCO-OEAKJJBVSA-N"	"InChI=1S/C18H16ClN5O3S/c1-11-10-14(17(20)16(19)18(11)25)23-22-12-5-7-13(8-6-12)28(26,27)24-15-4-2-3-9-21-15/h2-10,22H,20H2,1H3,(H,21,24)/b23-14+"	""	""	""
"10634"	"MS39"	""	"Synthetic organic"	""	""	""	""	"404859081"	"145996533"	""	""	""	""	""	""	""	"(2S,4R)-1-((S)-2-(11-(4-(3-((4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)propyl)piperazin-1-yl)-11-oxoundecanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide"	""	"compound 6 [PMID: 31895569]"	"COc1cc2ncnc(c2cc1OCCCN1CCN(CC1)C(=O)CCCCCCCCCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NCc1ccc(cc1)c1scnc1C)O)Nc1ccc(c(c1)Cl)F"	"HLFLODKZIGYHNR-LTEFSYCBSA-N"	"InChI=1S/C55H71ClFN9O7S/c1-36-50(74-35-61-36)38-18-16-37(17-19-38)32-58-53(70)45-29-40(67)33-66(45)54(71)51(55(2,3)4)63-48(68)14-11-9-7-6-8-10-12-15-49(69)65-25-23-64(24-26-65)22-13-27-73-47-30-41-44(31-46(47)72-5)59-34-60-52(41)62-39-20-21-43(57)42(56)28-39/h16-21,28,30-31,34-35,40,45,51,67H,6-15,22-27,29,32-33H2,1-5H3,(H,58,70)(H,63,68)(H,59,60,62)/t40-,45+,51-/m1/s1"	""	""	""
"12000"	"MS40"	""	"Synthetic organic"	""	""	""	""	"464244141"	"153380106"	""	""	""	""	""	""	""	"N-[5-[3-[[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoylamino]ethyl]piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide"	""	""	"CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1cc(CN2CCN(CCNC(=O)CCCCCCCNc3c4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4ccc3)CC2)ccc1"	"STBAQMSNPQNEBZ-UHFFFAOYSA-N"	"InChI=1S/C52H61F3N10O7/c1-61-21-27-64(28-22-61)42-15-14-36(30-41(42)59-48(69)38-32-58-46(68)31-39(38)52(53,54)55)35-10-7-9-34(29-35)33-63-25-23-62(24-26-63)20-19-57-44(66)13-5-3-2-4-6-18-56-40-12-8-11-37-47(40)51(72)65(50(37)71)43-16-17-45(67)60-49(43)70/h7-12,14-15,29-32,43,56H,2-6,13,16-28,33H2,1H3,(H,57,66)(H,58,68)(H,59,69)(H,60,67,70)"	""	""	""
"7512"	"MS417"	""	"Synthetic organic"	""	""	""	""	"187051814"	"59190723"	""	""	""	""	""	""	""	""	""	""	"COC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C"	"GGRCIHACOIMRKY-HNNXBMFYSA-N"	"InChI=1S/C20H19ClN4O2S/c1-10-11(2)28-20-17(10)18(13-5-7-14(21)8-6-13)22-15(9-16(26)27-4)19-24-23-12(3)25(19)20/h5-8,15H,9H2,1-4H3/t15-/m0/s1"	""	""	""
"10563"	"MS432"	""	"Synthetic organic"	""	""	""	""	"404859010"	"145712394"	""	""	""	""	""	""	""	"(2S,4R)-1-((S)-20-(tert-Butyl)-1-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)phenyl)-1,18-dioxo-3-oxa-2,7,19-triazahenicosan-21-oyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide"	""	"compound 23 [PMID: 31730343]|MS-432"	"O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCCNCCCONC(=O)c1ccc(c(c1Nc1ccc(cc1F)I)F)F)C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C"	"KCBAMQOKOLXLOX-BSZYMOERSA-N"	"InChI=1S/C50H65F3IN7O6S/c1-31(33-16-18-34(19-17-33)45-32(2)56-30-68-45)57-48(65)41-28-36(62)29-61(41)49(66)46(50(3,4)5)59-42(63)15-12-10-8-6-7-9-11-13-24-55-25-14-26-67-60-47(64)37-21-22-38(51)43(53)44(37)58-40-23-20-35(54)27-39(40)52/h16-23,27,30-31,36,41,46,55,58,62H,6-15,24-26,28-29H2,1-5H3,(H,57,65)(H,59,63)(H,60,64)/t31-,36+,41-,46+/m0/s1"	""	""	""
"7509"	"MS436"	""	"Synthetic organic"	""	""	""	""	"187051811"	"135566899"	""	""	"CHEMBL3086883"	""	""	""	""	"4-[2-(2-amino-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-N-pyridin-2-ylbenzenesulfonamide"	""	""	"Nc1cc(O)c(cc1/N=N/c1ccc(cc1)S(=O)(=O)Nc1ccccn1)C"	"DZTGIRNXWSZBIM-QURGRASLSA-N"	"InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23)/b22-21+"	""	""	""
"10440"	"MS48107"	""	"Synthetic organic"	""	""	""	""	"385612200"	"139030523"	""	""	""	""	""	""	""	"(2-(4-Amino-6-((4-phenoxybenzyl)amino)-1,3,5-triazin-2-yl)-3-fluorophenyl)methanol"	""	"<i>GPR68</i> &alpha;-PAM 71|compound 71 [PMID: 31298539]"	"OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F"	"KKHDNAZPEMYUNO-UHFFFAOYSA-N"	"InChI=1S/C23H20FN5O2/c24-19-8-4-5-16(14-30)20(19)21-27-22(25)29-23(28-21)26-13-15-9-11-18(12-10-15)31-17-6-2-1-3-7-17/h1-12,30H,13-14H2,(H3,25,26,27,28,29)"	""	""	""
"7508"	"MS7972"	""	"Synthetic organic"	""	""	""	""	"187051810"	"853608"	""	""	"CHEMBL1236441"	""	""	""	""	"9-acetyl-2,3,4,9-tetrahydro-1H-carbazol-1-one"	""	""	"O=C1CCCc2c1n(C(=O)C)c1c2cccc1"	"MIGJEXKBUJPKJF-UHFFFAOYSA-N"	"InChI=1S/C14H13NO2/c1-9(16)15-12-7-3-2-5-10(12)11-6-4-8-13(17)14(11)15/h2-3,5,7H,4,6,8H2,1H3"	""	""	""
"13299"	"MS8535"	""	"Synthetic organic"	""	""	""	""	"496703269"	"171364448"	""	""	""	""	""	""	""	""	""	"compound 18 [PMID: 38533580]|MS-8535"	"COC1=CC=2C(N3CCCC3)=NC(NCCN(C)C)=NC2C=C1OCCCN4CC=5C=CC=CC5C4"	"JJRRWLVKNLMRSA-UHFFFAOYSA-N"	"InChI=1S/C28H38N6O2/c1-32(2)15-11-29-28-30-24-18-26(25(35-3)17-23(24)27(31-28)34-13-6-7-14-34)36-16-8-12-33-19-21-9-4-5-10-22(21)20-33/h4-5,9-10,17-18H,6-8,11-16,19-20H2,1-3H3,(H,29,30,31)"	""	""	""
"13288"	"MS8709"	""	"Synthetic organic"	""	""	""	""	"496703258"	"171038121"	""	""	""	""	""	""	""	"(2S,4R)-1-((S)-2-(12-(4-(4-((2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-yl)amino)piperidin-1-yl)butanamido)dodecanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide"	""	"Compound 10 [PMID: 38464025]|MS-8709"	"FC1(CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)CCCC(=O)NCCCCCCCCCCCC(=O)N[C@H](C(=O)N5[C@@H](C[C@H](C5)O)C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)C(C)(C)C)OC)OCCCN8CCCC8)F"	"CLUWNSLFLMBFKA-RMCUFUCFSA-N"	"InChI=1S/C64H95F2N11O7S/c1-45-57(85-44-69-45)47-23-21-46(22-24-47)42-68-60(81)52-39-49(78)43-77(52)61(82)58(63(2,3)4)72-56(80)19-13-11-9-7-6-8-10-12-14-29-67-55(79)20-17-32-75-34-25-48(26-35-75)70-59-50-40-53(83-5)54(84-38-18-33-74-30-15-16-31-74)41-51(50)71-62(73-59)76-36-27-64(65,66)28-37-76/h21-24,40-41,44,48-49,52,58,78H,6-20,25-39,42-43H2,1-5H3,(H,67,79)(H,68,81)(H,72,80)(H,70,71,73)/t49-,52+,58-/m1/s1"	""	""	""
"12138"	"MS8815"	""	"Synthetic organic"	""	""	""	""	"472319260"	"165368931"	""	""	""	""	""	""	""	"(2S,4R)-1-((S)-2-(9-(4-((3′-(((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-5′-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4′-methyl-[1,1′-biphenyl]-4-yl)methyl)piperazin-1-yl)-9-oxononanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide"	""	"compound 16 [PMID: 35837138]|MS-8815"	"Cc1c(c(=O)[nH]c(c1)C)CNC(=O)c1cc(cc(c1C)N(C1CCOCC1)CC)c1ccc(cc1)CN1CCN(CC1)C(=O)CCCCCCCC(=O)N[C@H](C(=O)N1[C@@H](C[C@H](C1)O)C(=O)NCc1ccc(cc1)c1c(ncs1)C)C(C)(C)C"	"AOIZISCRIVNZJJ-XWJFFXCMSA-N"	"InChI=1S/C65H87N9O8S/c1-9-73(51-25-31-82-32-26-51)55-35-50(34-53(44(55)4)61(78)67-38-54-42(2)33-43(3)69-62(54)79)48-21-19-47(20-22-48)39-71-27-29-72(30-28-71)58(77)16-14-12-10-11-13-15-57(76)70-60(65(6,7)8)64(81)74-40-52(75)36-56(74)63(80)66-37-46-17-23-49(24-18-46)59-45(5)68-41-83-59/h17-24,33-35,41,51-52,56,60,75H,9-16,25-32,36-40H2,1-8H3,(H,66,80)(H,67,78)(H,69,79)(H,70,76)/t52-,56+,60-/m1/s1"	""	""	""
"13531"	"MSA-2"	""	"Synthetic organic"	""	""	""	""	"500839941"	"23035251"	""	""	"CHEMBL4434776"	""	""	""	""	"4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid"	""	"compound 62 [PMID: 31820978]|example 16 [WO2018067423A1]|MSA2"	"COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC(=O)O)OC"	"APCLRHPWFCQIMG-UHFFFAOYSA-N"	"InChI=1S/C14H14O5S/c1-18-10-5-8-6-13(9(15)3-4-14(16)17)20-12(8)7-11(10)19-2/h5-7H,3-4H2,1-2H3,(H,16,17)"	""	""	""
"8076"	"MSC2032964A"	""	"Synthetic organic"	""	""	""	""	"249565756"	"25214468"	""	""	""	""	""	""	""	"N-[5-(cyclopropylamino)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridinecarboxamide"	""	""	"O=C(c1cccnc1)Nc1nn2c(n1)cc(cc2NC1CC1)C(F)(F)F"	"XUKGFHHTSUKORV-UHFFFAOYSA-N"	"InChI=1S/C16H13F3N6O/c17-16(18,19)10-6-12(21-11-3-4-11)25-13(7-10)22-15(24-25)23-14(26)9-2-1-5-20-8-9/h1-2,5-8,11,21H,3-4H2,(H,23,24,26)"	""	""	""
"10541"	"MSMB (91-114)"	"Human"	"Peptide"	""	""	""	""	"387271633"	"139600925"	"P08118"	"ENSG00000263639"	""	""	""	""	""	""	""	""	"NCCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](CC)C)Cc1c[nH]c2c1cccc2)CCC(=O)O)CO)C(C)C)CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CC(=O)O)CCCCN)Cc1ccc(cc1)O)[C@H](CC)C)C(C)C)C(C)C"	"JXASPFJVDIPKEB-XNSPQFCGSA-N"	"InChI=1S/C127H204N30O39S2/c1-14-66(10)100-123(191)152-99(65(8)9)122(190)151-98(64(6)7)120(188)141-82(44-47-94(166)167)109(177)136-76(32-19-24-48-128)105(173)135-78(34-21-26-50-130)108(176)145-86(57-96(170)171)126(194)157-53-29-37-91(157)119(187)140-79(35-22-27-51-131)106(174)137-80(36-23-28-52-132)111(179)156-103(69(13)160)125(193)149-90(62-198-197-61-89(148-112(180)85(56-95(168)169)142-104(172)74(133)42-45-92(162)163)117(185)138-77(33-20-25-49-129)107(175)143-83(113(181)153-100)54-70-38-40-72(161)41-39-70)118(186)146-88(60-159)116(184)150-97(63(4)5)121(189)147-87(59-158)115(183)139-81(43-46-93(164)165)110(178)144-84(55-71-58-134-75-31-18-17-30-73(71)75)114(182)154-101(67(11)15-2)124(192)155-102(127(195)196)68(12)16-3/h17-18,30-31,38-41,58,63-69,74,76-91,97-103,134,158-161H,14-16,19-29,32-37,42-57,59-62,128-133H2,1-13H3,(H,135,173)(H,136,177)(H,137,174)(H,138,185)(H,139,183)(H,140,187)(H,141,188)(H,142,172)(H,143,175)(H,144,178)(H,145,176)(H,146,186)(H,147,189)(H,148,180)(H,149,193)(H,150,184)(H,151,190)(H,152,191)(H,153,181)(H,154,182)(H,155,192)(H,156,179)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,195,196)/t66-,67-,68-,69+,74-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,97-,98-,99-,100-,101-,102-,103-/m0/s1"	""	""	""
"1440"	"MSOPPE"	""	"Synthetic organic"	""	""	""	""	"135650669"	"5311463"	""	""	"CHEMBL1609272"	""	""	""	""	"2-amino-3-(hydroxy-(phenoxy)phosphoryl)oxy-2-methylpropanoic acid"	""	"alpha-methylserine-O-phosphate monophenyl ester"	"OC(=O)C(COP(=O)(Oc1ccccc1)O)(N)C"	"GBCGDIQJCHNFKA-UHFFFAOYSA-N"	"InChI=1S/C10H14NO6P/c1-10(11,9(12)13)7-16-18(14,15)17-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)(H,14,15)"	""	""	""
"4258"	"MSVIII-19"	""	"Synthetic organic"	""	""	""	""	"178101075"	"72199906"	""	""	""	""	""	""	""	"(2R,3aR,7aR)-2-[(2S)-2-azaniumyl-2-carboxylatoethyl]-hexahydro-2H-furo[3,2-b]pyran-2-carboxylate"	""	"8,9-dideoxyneodysiherbaine"	"[O-]C(=O)[C@H](C[C@]1(O[C@H]2[C@@H](C1)OCCC2)C(=O)[O-])[NH3+]"	"RZIYCCQNKHONBB-PRKAOEEVSA-M"	"InChI=1S/C11H17NO6/c12-6(9(13)14)4-11(10(15)16)5-8-7(18-11)2-1-3-17-8/h6-8H,1-5,12H2,(H,13,14)(H,15,16)/p-1/t6-,7+,8+,11+/m0/s1"	""	""	""
"5610"	"MSX-2"	""	"Synthetic organic"	""	""	""	""	"178102244"	"10046145"	""	""	"CHEMBL413079"	""	""	""	""	"3-(3-hydroxypropyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-1-prop-2-ynylpurine-2,6-dione"	""	""	"OCCCn1c(=O)n(CC#C)c(=O)c2c1nc(n2C)/C=C/c1cccc(c1)OC"	"FWLDDFYHEQMIGG-MDZDMXLPSA-N"	"InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+"	""	""	""
"13442"	"MT-1207"	""	"Synthetic organic"	""	""	""	""	"500839852"	"76283388"	""	""	""	""	""	""	""	"3-[4-[4-(benzotriazol-1-yl)butyl]piperazin-1-yl]-1,2-benzothiazole"	""	"compound II-13 [PMID: 38968440]|MT1207"	"C12=CC=CC=C1SN=C2N3CCN(CCCCN4N=NC5=C4C=CC=C5)CC3"	"GOALZWVIJQGFQJ-UHFFFAOYSA-N"	"InChI=1S/C21H24N6S/c1-4-10-20-17(7-1)21(23-28-20)26-15-13-25(14-16-26)11-5-6-12-27-19-9-3-2-8-18(19)22-24-27/h1-4,7-10H,5-6,11-16H2"	""	""	""
"10724"	"MT-45"	""	"Synthetic organic"	""	""	""	""	"405067317"	"431865"	""	""	""	""	""	""	""	"1-cyclohexyl-4-[1,2-di(phenyl)ethyl]piperazine"	""	"CDEP|IC-6|MT45|NSC 299236"	"C1CCC(CC1)N1CCN(CC1)C(c1ccccc1)Cc1ccccc1"	"IGBRRSIHEGCUEN-UHFFFAOYSA-N"	"InChI=1S/C24H32N2/c1-4-10-21(11-5-1)20-24(22-12-6-2-7-13-22)26-18-16-25(17-19-26)23-14-8-3-9-15-23/h1-2,4-7,10-13,23-24H,3,8-9,14-20H2"	""	""	""
"8821"	"MT47-100"	""	"Synthetic organic"	""	""	""	""	"252827478"	"91938093"	""	""	""	""	""	""	""	"6-[4-(2-hydroxyphenyl)phenyl]quinoline-2,3,4-triol"	""	""	"Oc1ccccc1c1ccc(cc1)c1ccc2c(c1)c(O)c(c(n2)O)O"	"DMDAXRKDNRQTIF-UHFFFAOYSA-N"	"InChI=1S/C21H15NO4/c23-18-4-2-1-3-15(18)13-7-5-12(6-8-13)14-9-10-17-16(11-14)19(24)20(25)21(26)22-17/h1-11,23,25H,(H2,22,24,26)"	""	""	""
"11857"	"MT-8"	""	"Synthetic organic"	""	""	""	""	"461663413"	"5281803"	""	""	"CHEMBL252904"	""	""	""	""	"5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one"	""	"3'-hydroxybiochanin A|MT8|pratensein"	"COc1c(O)cc(cc1)c1coc2c(c(O)cc(O)c2)c1=O"	"FPIOBTBNRZPWJW-UHFFFAOYSA-N"	"InChI=1S/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3"	""	""	""
"1428"	"MTEB"	""	"Synthetic organic"	""	""	""	""	"135650670"	"11535913"	""	""	"CHEMBL201943"	""	""	""	""	"3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzonitrile"	""	""	"N#Cc1cccc(c1)C#Cc1csc(n1)C"	"GRUPMMBRLDBTDD-UHFFFAOYSA-N"	"InChI=1S/C13H8N2S/c1-10-15-13(9-16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3"	""	""	""
"3336"	"MTEP"	""	"Synthetic organic"	""	""	""	""	"178100367"	"9794218"	""	""	"CHEMBL292065"	""	""	""	""	"3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine"	""	""	"Cc1scc(n1)C#Cc1cccnc1"	"NRBNGHCYDWUVLC-UHFFFAOYSA-N"	"InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3"	""	""	""
"1323"	"MT-II"	""	"Peptide"	""	""	""	""	"135652308"	"92432"	""	""	"CHEMBL430239"	""	""	""	""	"(3S,6S,9R,12S,15S,23S)-9-benzyl-6-{3-[(diaminomethylidene)amino]propyl}-15-[(2S)-2-acetamidohexanamido]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxamide"	""	"melanotan II|MTII"	"CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)C"	"JDKLPDJLXHXHNV-MFVUMRCOSA-N"	"InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1"	""	""	""
"13011"	"MTK458"	""	"Synthetic organic"	""	""	""	""	"485206132"	"155187445"	""	""	""	""	""	""	""	"N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine"	""	"MTK-458"	"FC(F)(F)C1=CC2=C(N1)N=CN=C2N[C@@H]3CCCC4=C3C=CC=C4"	"JOIONRWKOGDQOG-CYBMUJFWSA-N"	"InChI=1S/C17H15F3N4/c18-17(19,20)14-8-12-15(21-9-22-16(12)24-14)23-13-7-3-5-10-4-1-2-6-11(10)13/h1-2,4,6,8-9,13H,3,5,7H2,(H2,21,22,23,24)/t13-/m1/s1"	""	""	""
"6272"	"MTSEA"	""	"Synthetic organic"	""	""	""	""	"178102892"	"53443082"	""	""	""	""	""	""	""	"2-methylsulfonothioyloxyethanamine"	""	"methanethiosulfonate ethylammonium"	"CS(=S)(=O)OCCN"	"HKERMLQDWIEJQS-UHFFFAOYSA-N"	"InChI=1S/C3H9NO2S2/c1-8(5,7)6-3-2-4/h2-4H2,1H3"	""	""	""
"14638"	"MTX325"	""	"Synthetic organic"	""	""	""	""	"530846886"	"162385070"	""	""	""	""	""	""	""	"(3aR,6aR)-1-[5-(2-cyano-4-pyridinyl)-1,3-oxazole-2-carbonyl]-4-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carbonitrile"	""	""	"C1N(C#N)C(C)[C@H]2CCN(C(C=3OC(C=4C=CN=C(C#N)C4)=CN3)=O)[C@@H]12"	"LBHXWJUYDOSAAH-JBAPVGOWSA-N"	"InChI=1S/C18H16N6O2/c1-11-14-3-5-24(15(14)9-23(11)10-20)18(25)17-22-8-16(26-17)12-2-4-21-13(6-12)7-19/h2,4,6,8,11,14-15H,3,5,9H2,1H3/t11?,14-,15+/m1/s1"	""	""	""
"6011"	"mubritinib"	""	"Synthetic organic"	""	""	""	""	"178102633"	"6444692"	""	""	"CHEMBL1614707"	""	""	""	""	"1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]triazole"	"mubritinib"	"TAK 165|TAK-165|TAK165"	"FC(c1ccc(cc1)/C=C/c1occ(n1)COc1ccc(cc1)CCCCn1nncc1)(F)F"	"ZTFBIUXIQYRUNT-MDWZMJQESA-N"	"InChI=1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13-8+"	""	""	""
"2630"	"&mu;-conotoxin GIIIA"	""	"Peptide"	""	""	""	""	"135652309"	"0"	"P01523"	""	""	""	""	""	""	""	""	"Geographutoxin I|GTx-I|Myotoxin I"	""	""	""	""	""	""
"14461"	"&mu;-conotoxin KIIIA"	""	"Peptide"	""	""	""	""	"528429782"	"0"	""	""	""	""	""	""	""	""	""	"&mu;-KIIIA|mu-KIIIA"	""	""	""	""	""	""
"2631"	"&mu;-conotoxin PIIIA"	""	"Peptide"	""	""	""	""	"135652310"	"0"	"P58925"	""	""	""	""	""	""	""	""	"&mu;-conotoxin P3.7"	""	""	""	""	""	""
"7567"	"&mu;-conotoxin SmIIIA"	""	"Peptide"	""	""	""	""	"223365903"	"0"	"P60207"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9339"	"mucosal addressin cell adhesion molecule 1"	"Human"	"Peptide"	""	""	""	""	"328083442"	"0"	"Q13477"	"ENSG00000099866"	""	""	""	""	""	""	""	"addressin|MAdCAM-1|MAdCAM1"	""	""	""	"yes"	""	""
"14395"	"mufemilast"	""	"Synthetic organic"	"yes"	""	""	""	"523352187"	"137355584"	""	""	"CHEMBL5095240"	""	""	""	""	"N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide"	"mufemilast"	"Hemay005|Momishin&reg; (China)"	"CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=CSC(=C3C2=O)NC(=O)C)OC"	"PRSNGWLHNWGOKD-CQSZACIVSA-N"	"InChI=1S/C20H22N2O7S2/c1-5-29-16-8-12(6-7-15(16)28-3)14(10-31(4,26)27)22-19(24)13-9-30-18(21-11(2)23)17(13)20(22)25/h6-9,14H,5,10H2,1-4H3,(H,21,23)/t14-/m1/s1"	"yes"	""	""
"8648"	"multi-Leu (ML)-peptide"	""	"Peptide"	""	""	""	""	"252166848"	"155817504"	""	""	""	""	""	""	""	""	""	"ML-peptide"	"CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C"	"UQCOICUQZUWRMW-YYGRSCHNSA-N"	"InChI=1S/C41H80N14O8/c1-22(2)19-26(43)33(56)53-30(20-23(3)4)37(60)54-31(21-24(5)6)36(59)50-28(14-11-17-48-40(44)45)35(58)55-32(25(7)8)38(61)51-27(13-9-10-16-42)34(57)52-29(39(62)63)15-12-18-49-41(46)47/h22-32H,9-21,42-43H2,1-8H3,(H,50,59)(H,51,61)(H,52,57)(H,53,56)(H,54,60)(H,55,58)(H,62,63)(H4,44,45,48)(H4,46,47,49)/t26-,27-,28-,29-,30-,31-,32-/m0/s1"	""	""	""
"11758"	"mupadolimab"	""	"Antibody"	""	""	""	""	"458923793"	"0"	""	""	""	""	""	""	""	""	"mupadolimab"	"CPI-006|CPI006|CPX-006|CPX006"	""	""	""	""	""	""
"10916"	"mupirocin"	""	"Synthetic organic"	"yes"	""	""	""	"405560357"	"446596"	""	""	"CHEMBL719"	""	""	""	""	"9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid"	"mupirocin"	"Bactroban&reg;|BRL-4910A|BRL-4910F|Centany&reg;|pseudomonic acid"	"OC(=O)CCCCCCCCOC(=O)/C=C(/C[C@@H]1OC[C@@H]([C@H]([C@H]1O)O)C[C@@H]1O[C@H]1[C@H]([C@@H](O)C)C)\C"	"MINDHVHHQZYEEK-HBBNESRFSA-N"	"InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1"	""	"yes"	"yes"
"13519"	"muraminomicin F"	""	"Natural product"	""	""	""	""	"500839929"	"145720731"	""	""	""	""	""	""	""	"2-[[(2S,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]oxy-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-6-[3-[5-[(2S,3R,4R,5S,6S)-4-(3-carboxypropanoyloxy)-6-ethyl-3,5-dimethoxyoxan-2-yl]oxy-3-methyl-5-oxopentanoyl]oxytetradecanoyloxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid"	""	""	"CCCCCCCCCCCC(CC(=O)OC1CN(C(C(=O)N(C1C(=O)O)C)C([C@@H]2[C@H](C[C@@H](O2)N3C=CC(=O)NC3=O)O)O[C@H]4C[C@@H]([C@H](O4)CN)O)C)OC(=O)CC(C)CC(=O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)CC)OC)OC(=O)CCC(=O)O)OC"	"NFLAQRQUPWGKJN-CHFJNQTASA-N"	"InChI=1S/C55H87N5O23/c1-8-10-11-12-13-14-15-16-17-18-31(76-41(67)23-30(3)24-42(68)82-54-51(75-7)50(48(74-6)34(9-2)79-54)81-40(66)20-19-39(64)65)25-43(69)77-36-29-58(4)46(52(70)59(5)45(36)53(71)72)49(83-44-27-32(61)35(28-56)78-44)47-33(62)26-38(80-47)60-22-21-37(63)57-55(60)73/h21-22,30-36,38,44-51,54,61-62H,8-20,23-29,56H2,1-7H3,(H,64,65)(H,71,72)(H,57,63,73)/t30?,31?,32-,33-,34-,35+,36?,38+,44-,45?,46?,47-,48-,49?,50+,51+,54-/m0/s1"	""	""	"yes"
"5024"	"muramyl dipeptide"	""	"Natural product"	""	""	""	""	"178101721"	"451714"	""	""	"CHEMBL369794"	""	""	""	""	"(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid"	""	"MDP"	"OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N)CCC(=O)O)C)C)NC(=O)C"	"BSOQXXWZTUDTEL-ZUYCGGNHSA-N"	"InChI=1S/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,23,30)(H,26,27)/t7-,8+,10+,11+,13+,14+,15+,19+/m0/s1"	""	""	""
"13501"	"muraymycin D2"	""	"Natural product"	""	""	""	""	"500839911"	"45142130"	""	""	"CHEMBL1780216"	""	""	""	""	"(2S)-2-[[(1S)-2-[[(2S)-1-[3-[[(1S,2S)-2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-1-carboxy-2-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]amino]propylamino]-4-methyl-1-oxopentan-2-yl]amino]-1-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid"	""	"muramycin D2"	"CC(C)C[C@@H](C(=O)NCCCN[C@@H]([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)O[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)C(=O)O)NC(=O)[C@H]([C@@H]4CCNC(=N4)N)NC(=O)N[C@@H](C(C)C)C(=O)O"	"RRTIONDZEJYWBN-VDXVSALRSA-N"	"InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17-,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1"	""	""	"yes"
"13517"	"mureidomycin C"	""	"Natural product"	""	""	""	""	"500839927"	"145720597"	""	""	""	""	""	""	""	"2-[[(2S)-1-[[(2R)-3-[[(2S)-2-[(2-aminoacetyl)amino]-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methylamino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid"	""	""	"CC([C@H](C(=O)NC=C1CC(C(O1)N2C=CC(=O)NC2=O)O)NC(=O)[C@H](CCSC)NC(=O)NC(CC3=CC(=CC=C3)O)C(=O)O)N(C)C(=O)[C@H](CC4=CC(=CC=C4)O)NC(=O)CN"	"DODUWDVIPJZWOY-JHYHWTEUSA-N"	"InChI=1S/C40H51N9O13S/c1-21(48(2)36(57)28(43-32(54)19-41)16-22-6-4-8-24(50)14-22)33(35(56)42-20-26-18-30(52)37(62-26)49-12-10-31(53)46-40(49)61)47-34(55)27(11-13-63-3)44-39(60)45-29(38(58)59)17-23-7-5-9-25(51)15-23/h4-10,12,14-15,20-21,27-30,33,37,50-52H,11,13,16-19,41H2,1-3H3,(H,42,56)(H,43,54)(H,47,55)(H,58,59)(H2,44,45,60)(H,46,53,61)/t21?,27-,28-,29?,30?,33+,37?/m0/s1"	""	""	"yes"
"10832"	"murepavadin"	""	"Peptide"	""	""	""	""	"405560273"	"91824766"	""	""	"CHEMBL3946483"	""	""	""	""	""	"murepavadin"	"POL7080|RG-7929|RG7929|RO-7033877|RO7033877"	"NCCC[C@@H]1NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CCN)CCN)Cc1c[nH]c2c1cccc2)CCN)CCN)C)CO)[C@H](O)C)Cc1c[nH]c2c1cccc2)[C@H](CC)C"	"RIDRXGOBXZLKHZ-NZUANIILSA-N"	"InChI=1S/C73H112N22O16/c1-5-38(2)58-70(108)88-52(24-30-79)65(103)83-47(17-10-25-74)62(100)85-49(21-27-76)63(101)86-51(23-29-78)66(104)89-53(33-41-35-80-45-15-8-6-13-43(41)45)67(105)87-50(22-28-77)64(102)84-48(20-26-75)61(99)82-39(3)60(98)91-55(37-96)72(110)95-32-12-19-57(95)73(111)94-31-11-18-56(94)69(107)93-59(40(4)97)71(109)90-54(68(106)92-58)34-42-36-81-46-16-9-7-14-44(42)46/h6-9,13-16,35-36,38-40,47-59,80-81,96-97H,5,10-12,17-34,37,74-79H2,1-4H3,(H,82,99)(H,83,103)(H,84,102)(H,85,100)(H,86,101)(H,87,105)(H,88,108)(H,89,104)(H,90,109)(H,91,98)(H,92,106)(H,93,107)/t38-,39-,40+,47-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57+,58-,59-/m0/s1"	""	""	"yes"
"6889"	"muromonab-CD3"	""	"Antibody"	"yes"	"yes"	""	""	"178103471"	"0"	""	""	""	""	""	""	""	""	"muromonab-CD3"	"L04AA02|OKT-3|Orthoclone Okt3&reg;"	""	""	""	"yes"	""	""
"3996"	"muscarine"	""	"Natural product"	""	""	""	""	"178100822"	"9308"	""	""	"CHEMBL12587"	""	""	""	""	"{[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl}trimethylazanium"	""	""	"O[C@@H]1C[C@H](O[C@H]1C)C[N+](C)(C)C"	"UQOFGTXDASPNLL-XHNCKOQMSA-N"	"InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1"	""	""	""
"311"	"muscarinic toxin 1"	""	"Peptide"	""	""	""	""	"135652304"	"0"	"P81030"	""	""	""	""	""	""	""	""	"MT1|MTx1"	""	""	""	""	""	""
"312"	"muscarinic toxin 2"	""	"Peptide"	""	""	""	""	"135652305"	"0"	"P18328"	""	""	""	""	""	""	""	""	"MT2|MTx2"	""	""	""	""	""	""
"313"	"muscarinic toxin 3"	""	"Peptide"	""	""	""	""	"135652306"	"0"	"P81031"	""	""	""	""	""	""	""	""	"mamba toxin-3|MT3"	""	""	""	""	""	""
"314"	"muscarinic toxin 7"	""	"Peptide"	""	""	""	""	"135652307"	"0"	"Q8QGR0"	""	""	""	""	""	""	""	""	"m1-toxin 1|MT7|recombinant mamba venom toxin|rMT7"	""	""	""	""	""	""
"13152"	"muscarinic toxin &beta;"	""	"Peptide"	""	""	""	""	"491299934"	"0"	"P80495"	""	""	""	""	""	""	""	""	"Adrenergic toxin rho-elapitoxin-Dp1a|MT&beta;|rho-EPTX-Dp1a"	""	""	""	""	""	""
"4259"	"muscimol"	""	"Natural product"	""	""	""	""	"178101076"	"4266"	""	""	"CHEMBL273481"	""	""	""	""	"5-(aminomethyl)-2,3-dihydro-1,2-oxazol-3-one"	""	"agarin|pantherine"	"NCc1cc(=O)[nH]o1"	"ZJQHPWUVQPJPQT-UHFFFAOYSA-N"	"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)"	""	""	""
"11000"	"MUT056399"	""	"Synthetic organic"	""	""	""	""	"405560441"	"44208849"	""	""	"CHEMBL2178284"	""	""	""	""	"4-(4-ethyl-5-fluoro-2-hydroxyphenoxy)-3-fluorobenzamide"	""	"Fab-001|FAB001|MUT-056399"	"CCc1cc(O)c(cc1F)Oc1ccc(cc1F)C(=O)N"	"QUHARGDBJJUOEB-UHFFFAOYSA-N"	"InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20)"	""	""	"yes"
"10211"	"mutant ANP"	"Human"	"Peptide"	""	""	""	""	"381744893"	"0"	""	""	""	""	""	""	""	""	""	"mANP|mutant atrial natriuretic peptide"	""	""	""	""	""	""
"6686"	"M&uuml;llerian inhibiting substance"	"Human"	"Peptide"	""	""	""	""	"178103298"	"0"	"P03971"	"ENSG00000104899"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"12939"	"muvalaplin"	""	"Synthetic organic"	""	""	""	""	"485206060"	"155369486"	""	""	"CHEMBL4802585"	""	""	""	""	"(2S)-3-[3-[[bis[[3-[(2S)-2-carboxy-2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]methyl]amino]methyl]phenyl]-2-[(3R)-pyrrolidin-3-yl]propanoic acid"	"muvalaplin"	"LY-3473329|LY3473329"	"C1CNC[C@H]1[C@H](CC2=CC(=CC=C2)CN(CC3=CC=CC(=C3)C[C@@H]([C@H]4CCNC4)C(=O)O)CC5=CC=CC(=C5)C[C@@H]([C@H]6CCNC6)C(=O)O)C(=O)O"	"BRLGERLDHZRETI-BGBFCPIGSA-N"	"InChI=1S/C42H54N4O6/c47-40(48)37(34-10-13-43-22-34)19-28-4-1-7-31(16-28)25-46(26-32-8-2-5-29(17-32)20-38(41(49)50)35-11-14-44-23-35)27-33-9-3-6-30(18-33)21-39(42(51)52)36-12-15-45-24-36/h1-9,16-18,34-39,43-45H,10-15,19-27H2,(H,47,48)(H,49,50)(H,51,52)/t34-,35-,36-,37-,38-,39-/m0/s1"	""	""	""
"12974"	"MW01"	""	"Synthetic organic"	""	""	""	""	"485206095"	"8016395"	""	""	""	""	""	""	""	""	""	""	"COC1=CC=C2C3=C4N(C5=C(C=C(O)C=C5)C4=CC=N3)C(=O)C2=C1OC"	"PBTXUPOGDOSLQB-UHFFFAOYSA-N"	"InChI=1S/C20H14N2O4/c1-25-15-6-4-12-16(19(15)26-2)20(24)22-14-5-3-10(23)9-13(14)11-7-8-21-17(12)18(11)22/h3-9,23H,1-2H3"	""	""	""
"12975"	"MW05"	""	"Synthetic organic"	""	""	""	""	"485206096"	"169422749"	""	""	""	""	""	""	""	"1-[3-(dimethylamino)benzoyl]-7-methoxy-1H,3aH,9aH-pyrazolo[3,4-b]quinolin-3-amine"	""	""	"COC1=CC2=NC3C(C=C2C=C1)C(N)=NN3C(=O)C4=CC(=CC=C4)N(C)C"	"GSZCKKFQSZDCGQ-UHFFFAOYSA-N"	"InChI=1S/C20H21N5O2/c1-24(2)14-6-4-5-13(9-14)20(26)25-19-16(18(21)23-25)10-12-7-8-15(27-3)11-17(12)22-19/h4-11,16,19H,1-3H3,(H2,21,23)"	""	""	""
"10524"	"MW150"	""	"Synthetic organic"	""	""	""	""	"387065606"	"86270361"	""	""	""	""	""	""	""	"6-(4-methylpiperazin-1-yl)-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine"	""	"compound 11 [PMID: 30978288]|compound 27 [WO2014145485A2]|compound 8 [PMID: 25676389]|MW-150|MW01-18-150SRM"	"CN1CCN(CC1)c1nnc(c(c1)c1ccncc1)c1ccc2c(c1)cccc2"	"CIIVUDIZZJLXCN-UHFFFAOYSA-N"	"InChI=1S/C24H23N5/c1-28-12-14-29(15-13-28)23-17-22(19-8-10-25-11-9-19)24(27-26-23)21-7-6-18-4-2-3-5-20(18)16-21/h2-11,16-17H,12-15H2,1H3"	"yes"	""	""
"13518"	"MX-2401"	""	"Synthetic organic"	""	""	""	""	"500839928"	"11815780"	""	""	""	""	""	""	""	"4-[[16-[1-(3-aminopropanoylamino)ethyl]-31-(1-carboxyethyl)-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-propan-2-yl-1,5,11,14,17,20,23,26,29,32-decazatricyclo[32.4.0.07,11]octatriacontan-3-yl]amino]-3-[[4-(dodecanoylamino)benzoyl]amino]-4-oxobutanoic acid"	""	""	"O=C1N2C(C(=O)NC(C(C(O)=O)C)C(=O)NC(CC(O)=O)C(=O)NCC(=O)NC(CC(O)=O)C(=O)NCC(=O)NC(C(NC(CCN)=O)C)C(=O)NC(C(C)C)C(=O)N3C(C(=O)NC(C)C1NC(C(NC(=O)C4=CC=C(NC(CCCCCCCCCCC)=O)C=C4)CC(O)=O)=O)(CCC3)[H])(CCCC2)[H]"	"FVWLJHLXFKFMJA-UHFFFAOYSA-N"	"InChI=1S/C67H101N15O22/c1-7-8-9-10-11-12-13-14-15-21-46(83)73-40-24-22-39(23-25-40)57(93)75-43(32-52(91)92)60(96)80-56-38(6)72-61(97)45-20-18-29-82(45)65(101)53(35(2)3)78-64(100)55(37(5)71-47(84)26-27-68)77-49(86)34-70-58(94)41(30-50(87)88)74-48(85)33-69-59(95)42(31-51(89)90)76-63(99)54(36(4)67(103)104)79-62(98)44-19-16-17-28-81(44)66(56)102/h22-25,35-38,41-45,53-56H,7-21,26-34,68H2,1-6H3,(H,69,95)(H,70,94)(H,71,84)(H,72,97)(H,73,83)(H,74,85)(H,75,93)(H,76,99)(H,77,86)(H,78,100)(H,79,98)(H,80,96)(H,87,88)(H,89,90)(H,91,92)(H,103,104)"	""	""	"yes"
"6831"	"mycophenolate mofetil"	""	"Synthetic organic"	"yes"	""	""	""	"178103437"	"5281078"	""	""	"CHEMBL1456"	""	""	""	""	"2-(morpholin-4-yl)ethyl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate"	""	"Cellcept&reg;|RS-61443|RS-61443-190"	"COc1c(C/C=C(/CCC(=O)OCCN2CCOCC2)\C)c(O)c2c(c1C)COC2=O"	"RTGDFNSFWBGLEC-SYZQJQIISA-N"	"InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+"	"yes"	""	""
"6832"	"mycophenolic acid"	""	"Natural product"	"yes"	""	""	""	"178103438"	"446541"	""	""	"CHEMBL866"	""	""	""	""	"(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid"	"mycophenolic acid"	"ERL-080|Myfortic&reg; (mycophenolate sodium)"	"COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O"	"HPNSFSBZBAHARI-RUDMXATFSA-N"	"InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+"	""	""	""
"13757"	"mycoplanecin A"	""	"Natural product"	""	""	""	""	"507750390"	"197207"	""	""	""	""	""	""	""	"4-ethyl-N-methyl-1-[3-methyl-2-[methyl(2-oxobutanoyl)amino]butanoyl]-N-[4,11,19,26-tetramethyl-6-(3-methylbutyl)-15,25-bis(2-methylpropyl)-2,5,8,14,17,21,24,27-octaoxo-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.0<sup>9,13</sup>]hentriacontan-18-yl]pyrrolidine-2-carboxamide"	""	""	"CCC1CC(N(C1)C(=O)C(C(C)C)N(C)C(=O)C(=O)CC)C(=O)N(C)C2C(OC(=O)CNC(=O)C(N(C(=O)C3CCCN3C(=O)C(N(C(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(C)C)C)CCC(C)C)C)C(C)C)C)CC(C)C)C"	"ICFLLAYTOVAMGO-UHFFFAOYSA-N"	"InChI=1S/C61H102N10O13/c1-19-40-29-46(71(32-40)61(83)50(37(11)12)67(17)59(81)47(72)20-2)58(80)68(18)51-39(14)84-48(73)30-62-52(74)44(27-35(7)8)65(15)57(79)43-22-21-25-69(43)60(82)49(36(9)10)66(16)55(77)41(24-23-33(3)4)63-53(75)45-28-38(13)31-70(45)56(78)42(26-34(5)6)64-54(51)76/h33-46,49-51H,19-32H2,1-18H3,(H,62,74)(H,63,75)(H,64,76)"	""	""	"yes"
"5025"	"myostatin"	"Human"	"Peptide"	""	""	""	""	"178101722"	"0"	"O14793"	"ENSG00000138379"	""	""	""	""	""	""	""	"GDF-8|GDF8|growth/differentiation factor 8"	""	""	""	""	""	""
"13074"	"myricetin"	""	"Natural product"	""	""	""	""	"491299856"	"5281672"	""	""	"CHEMBL164"	""	""	""	""	"3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one"	""	"3,3',4',5,5',7-hexahydroxyflavone|cannabiscetin"	"C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O"	"IKMDFBPHZNJCSN-UHFFFAOYSA-N"	"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H"	""	""	""
"6664"	"myriocin"	""	"Synthetic organic"	""	""	""	""	"178103276"	"6438394"	""	""	"CHEMBL55076"	""	""	""	""	"(E,2S,3R,4R)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid"	""	"ISP-1|thermozymocidin"	"CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@](C(=O)O)(CO)N)O)O"	"ZZIKIHCNFWXKDY-GNTQXERDSA-N"	"InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1"	""	""	""
"2806"	"myristic acid"	""	"Metabolite"	""	""	""	""	"178100239"	"11005"	""	""	"CHEMBL111077"	""	""	""	""	"Tetradecanoic acid"	""	"C14:0|myristate"	"CCCCCCCCCCCCCC(=O)O"	"TUNFSRHWOTWDNC-UHFFFAOYSA-N"	"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)"	""	""	""
"10619"	"myr-PKI"	""	"Peptide"	""	""	""	""	"404859066"	"71312213"	""	""	""	""	""	""	""	""	""	"Protein kinase inhibitor-(14-22)-amide, myristoylated"	"CCCCCCCCCCCCCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)C)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)[C@H](O)C)CCCNC(=N)N"	"GQPQKQWUUHDDIS-JDLJUXOTSA-N"	"InChI=1S/C53H100N20O12/c1-6-8-9-10-11-12-13-14-15-16-17-24-39(76)65-29-40(77)69-35(22-19-26-63-52(58)59)48(83)73-43(33(5)74)50(85)66-30-41(78)68-34(21-18-25-62-51(56)57)46(81)70-36(23-20-27-64-53(60)61)47(82)71-37(28-38(54)75)49(84)67-32(4)45(80)72-42(44(55)79)31(3)7-2/h31-37,42-43,74H,6-30H2,1-5H3,(H2,54,75)(H2,55,79)(H,65,76)(H,66,85)(H,67,84)(H,68,78)(H,69,77)(H,70,81)(H,71,82)(H,72,80)(H,73,83)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t31-,32-,33+,34-,35-,36-,37-,42-,43-/m0/s1"	""	""	""
"13849"	"MYX1715"	""	"Synthetic organic"	""	""	""	""	"513757534"	"146971285"	""	""	""	""	""	""	""	"4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-chlorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide"	""	"Comparator Compound 1 [WO2024052685A1]|MYX-1715"	"NCCC1=CN=C2N1C=C(C=C2)C3=C(OCCC=4C(=NN(C4C)C)C(=O)N(C)C)C=C(C=C3)Cl"	"AMLXJNZNGSKREP-UHFFFAOYSA-N"	"InChI=1S/C25H29ClN6O2/c1-16-20(24(29-31(16)4)25(33)30(2)3)10-12-34-22-13-18(26)6-7-21(22)17-5-8-23-28-14-19(9-11-27)32(23)15-17/h5-8,13-15H,9-12,27H2,1-4H3"	""	""	""
"14300"	"myxopyronin B"	""	"Natural product"	""	""	""	""	"523352092"	"135423114"	""	""	"CHEMBL247042"	""	""	""	""	"methyl N-[(E,5R)-5-[5-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-6-oxopyran-2-yl]hex-1-enyl]carbamate"	""	""	"CCCC/C(=C/C=C(\C)/C(=O)C1=C(C=C(OC1=O)[C@H](C)CC/C=C/NC(=O)OC)O)/C"	"SPQDIDVJAZFBRL-WXFBSNOUSA-N"	"InChI=1S/C24H33NO6/c1-6-7-10-16(2)12-13-18(4)22(27)21-19(26)15-20(31-23(21)28)17(3)11-8-9-14-25-24(29)30-5/h9,12-15,17,26H,6-8,10-11H2,1-5H3,(H,25,29)/b14-9+,16-12+,18-13+/t17-/m1/s1"	""	""	"yes"
"10728"	"MZ1"	""	"Synthetic organic"	""	""	""	""	"405067321"	"122201421"	""	""	"CHEMBL4226570"	""	""	""	""	"(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide"	""	""	"O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCNC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C)C(=O)NCc1ccc(cc1)c1scnc1C"	"PTAMRJLIOCHJMQ-PYNGZGNASA-N"	"InChI=1S/C49H60ClN9O8S2/c1-28-30(3)69-48-41(28)42(33-12-14-35(50)15-13-33)54-37(45-57-56-31(4)59(45)48)23-39(61)51-16-17-65-18-19-66-20-21-67-26-40(62)55-44(49(5,6)7)47(64)58-25-36(60)22-38(58)46(63)52-24-32-8-10-34(11-9-32)43-29(2)53-27-68-43/h8-15,27,36-38,44,60H,16-26H2,1-7H3,(H,51,61)(H,52,63)(H,55,62)/t36-,37+,38+,44-/m1/s1"	""	""	""
"13115"	"MZ-101"	""	"Synthetic organic"	""	""	""	""	"491299897"	"165139769"	""	""	""	""	""	""	""	"(2S,4R)-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]-1-[2-(2H-triazol-4-yl)acetyl]pyrrolidine-2-carboxamide"	""	"MZ101"	"CC(C)C1=CC=C(C=C1)[C@@H](NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)CC3=CN=NN3)C4=CC=CC=C4"	"VIXMWFGMNPKXHI-SFLYRZDNSA-N"	"InChI=1S/C25H28FN5O2/c1-16(2)17-8-10-19(11-9-17)24(18-6-4-3-5-7-18)28-25(33)22-12-20(26)15-31(22)23(32)13-21-14-27-30-29-21/h3-11,14,16,20,22,24H,12-13,15H2,1-2H3,(H,28,33)(H,27,29,30)/t20-,22+,24+/m1/s1"	""	""	""
"1117"	"MZ-4-169"	""	"Peptide"	""	""	""	""	"135652311"	"0"	""	""	""	""	""	""	""	""	""	"[Nac0,D-Arg2,Phe(4-Cl)6,Abu15,Nle27]hGHRH-(1-29) NH2"	""	""	""	""	""	""
"1118"	"MZ-4-181"	""	"Peptide"	""	""	""	""	"135652312"	"0"	""	""	""	""	""	""	""	""	""	"[Nac0-His1,D-Arg2,Phe(4-Cl)6,Abu15,Nle27]-hGH RH-(1-29)NH2"	""	""	""	""	""	""
"1119"	"MZ-4-243"	""	"Peptide"	""	""	""	""	"135652313"	"0"	""	""	""	""	""	""	""	""	""	"[Nac<sup>0</sup>,D-Arg<sup>2</sup>,Phe(4-CI)<sup>6</sup>,Abu<sup>15</sup>,Nle<sup>27</sup>]hGHRH-(1-28)Agm"	""	""	""	""	""	""
"12805"	"Mz438"	""	"Synthetic organic"	""	""	"yes"	""	"483123353"	"168433307"	""	""	""	""	""	""	""	""	""	"compound 9a [PMID: 37463496]|Mz-438"	"O=C(NCCOCCOCCOCCN1N=NC(CNC(C=2C=CC=C(NC=3C(C(=O)C3N[C@H](C(C)(C)C)C=4OC(=CC4)C)=O)C2O)=O)=C1)C5=CC(C=6C7=C(C=C(N(C)C)C=C7)OC8=C\C(\C=CC68)=[N+](/C)\C)=C(C([O-])=O)C=C5"	"ULWWLGSAYMCWBM-DTSDQNDWSA-N"	"InChI=1S/C57H63N9O12/c1-33-12-19-44(77-33)53(57(2,3)4)61-49-48(51(68)52(49)69)60-43-11-9-10-41(50(43)67)55(71)59-31-35-32-66(63-62-35)21-23-75-25-27-76-26-24-74-22-20-58-54(70)34-13-16-38(56(72)73)42(28-34)47-39-17-14-36(64(5)6)29-45(39)78-46-30-37(65(7)8)15-18-40(46)47/h9-19,28-30,32,53H,20-27,31H2,1-8H3,(H5-,58,59,60,61,62,63,67,68,69,70,71,72,73)/t53-/m0/s1"	""	""	""
"1120"	"MZ-4-71"	""	"Peptide"	""	""	""	""	"135652314"	"0"	""	""	""	""	""	""	""	""	""	"MZ 4-71"	""	""	""	""	""	""
"1121"	"MZ-5-156"	""	"Peptide"	""	""	""	""	"135652315"	"0"	""	""	""	""	""	""	""	""	""	"MZ 5-156"	""	""	""	""	""	""
"1122"	"MZ-5-192"	""	"Peptide"	""	""	""	""	"135652316"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1123"	"MZ-5-78"	""	"Peptide"	""	""	""	""	"135652317"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1124"	"MZ-6-55"	""	"Peptide"	""	""	""	""	"135652318"	"0"	""	""	""	""	""	""	""	""	""	"[PhAc-Tyr<sup>1</sup>,D-Arg<sup>2</sup>,Phe(4-Cl)<sup>6</sup>,Abu<sup>15</sup>,Nle<sup>27</sup>,D-Arg<sup>28</sup>,Har<sup>29</sup>]hGH-RH(1-29)NH<sub>2</sub>|MZ 6-55"	""	""	""	""	""	""
"11956"	"N-0385"	""	"Peptide"	""	""	""	""	"461663511"	"135169285"	""	""	""	""	""	""	""	"(2S)-N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-(methanesulfonamido)pentanediamide"	""	"example 2 [WO2018112648A1]|Ms-QFR-Kbt|N0385"	"CS(=O)(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1"	"JTHVOFMYRRNGPA-ACRUOGEOSA-N"	"InChI=1S/C28H36N8O6S2/c1-44(41,42)36-20(13-14-23(29)37)25(39)34-21(16-17-8-3-2-4-9-17)26(40)33-19(11-7-15-32-28(30)31)24(38)27-35-18-10-5-6-12-22(18)43-27/h2-6,8-10,12,19-21,36H,7,11,13-16H2,1H3,(H2,29,37)(H,33,40)(H,34,39)(H4,30,31,32)/t19-,20-,21-/m0/s1"	""	""	""
"13836"	"N-0920"	""	"Synthetic organic"	""	""	""	""	"513757521"	"175670496"	""	""	""	""	""	""	""	"benzyl N-[(1S)-1-{[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamoyl}-2-phenylethyl]carbamoyl}-3-carbamoylpropyl]carbamate"	""	"compound 2-9A [PMID: 40163818]|N0920"	"NC(=O)CC[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)C3=NC=CS3"	"YULXMMYEJYZEGC-HJOGWXRNSA-N"	"InChI=1S/C31H38N8O6S/c32-25(40)14-13-23(39-31(44)45-19-21-10-5-2-6-11-21)27(42)38-24(18-20-8-3-1-4-9-20)28(43)37-22(12-7-15-36-30(33)34)26(41)29-35-16-17-46-29/h1-6,8-11,16-17,22-24H,7,12-15,18-19H2,(H2,32,40)(H,37,43)(H,38,42)(H,39,44)(H4,33,34,36)/t22-,23-,24-/m0/s1"	""	""	""
"2130"	"N',2-diphenylquinoline-4-carbohydrazide 8m"	""	"Synthetic organic"	""	""	""	""	"135650673"	"11989776"	""	""	"CHEMBL221445"	""	""	""	""	"methyl N-[[3-[(4-tert-butylpiperazin-1-yl)methyl]-8-fluoro-2-phenylquinoline-4-carbonyl]amino]-N-phenylcarbamate"	""	"compound 8m [PMID:16950617]"	"COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1"	"KQNYTTDHCMFOME-UHFFFAOYSA-N"	"InChI=1S/C33H36FN5O3/c1-33(2,3)38-20-18-37(19-21-38)22-26-28(31(40)36-39(32(41)42-4)24-14-9-6-10-15-24)25-16-11-17-27(34)30(25)35-29(26)23-12-7-5-8-13-23/h5-17H,18-22H2,1-4H3,(H,36,40)"	""	""	""
"6246"	"N36"	""	"Peptide"	""	""	""	""	"178102866"	"155817492"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CO)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC"	"BUGHAHAULLHLAQ-FYXAMSKRSA-N"	"InChI=1S/C184H310N56O51/c1-31-93(23)144(177(285)220-106(43-37-38-64-185)157(265)214-112(49-58-132(190)246)161(269)223-118(67-84(5)6)167(275)218-109(46-55-129(187)243)155(263)208-97(27)149(257)211-108(45-40-66-203-184(199)200)165(273)239-147(96(26)34-4)179(287)233-128(182(290)291)73-90(17)18)234-140(254)81-206-153(261)124(74-101-78-204-105-42-36-35-41-103(101)105)232-176(284)143(92(21)22)237-181(289)148(100(30)242)240-174(282)123(72-89(15)16)224-162(270)115(52-61-135(193)249)219-168(276)120(69-86(9)10)226-169(277)121(70-87(11)12)227-171(279)125(75-102-79-201-83-207-102)229-163(271)113(50-59-133(191)247)216-158(266)110(47-56-130(188)244)212-150(258)98(28)209-156(264)117(54-63-141(255)256)222-178(286)146(95(25)33-3)238-151(259)99(29)210-154(262)107(44-39-65-202-183(197)198)213-166(274)119(68-85(7)8)225-170(278)122(71-88(13)14)228-172(280)127(77-138(196)252)231-173(281)126(76-137(195)251)230-164(272)114(51-60-134(192)248)217-159(267)111(48-57-131(189)245)215-160(268)116(53-62-136(194)250)221-175(283)142(91(19)20)236-180(288)145(94(24)32-2)235-139(253)80-205-152(260)104(186)82-241/h35-36,41-42,78-79,83-100,104,106-128,142-148,204,241-242H,31-34,37-40,43-77,80-82,185-186H2,1-30H3,(H2,187,243)(H2,188,244)(H2,189,245)(H2,190,246)(H2,191,247)(H2,192,248)(H2,193,249)(H2,194,250)(H2,195,251)(H2,196,252)(H,201,207)(H,205,260)(H,206,261)(H,208,263)(H,209,264)(H,210,262)(H,211,257)(H,212,258)(H,213,274)(H,214,265)(H,215,268)(H,216,266)(H,217,267)(H,218,275)(H,219,276)(H,220,285)(H,221,283)(H,222,286)(H,223,269)(H,224,270)(H,225,278)(H,226,277)(H,227,279)(H,228,280)(H,229,271)(H,230,272)(H,231,281)(H,232,284)(H,233,287)(H,234,254)(H,235,253)(H,236,288)(H,237,289)(H,238,259)(H,239,273)(H,240,282)(H,255,256)(H,290,291)(H4,197,198,202)(H4,199,200,203)/t93-,94-,95-,96-,97-,98-,99-,100+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,142-,143-,144-,145-,146-,147-,148-/m0/s1"	""	""	""
"13772"	"N3SA"	""	"Synthetic organic"	""	""	""	""	"507750405"	"11970792"	""	""	""	""	""	""	""	"naphthalene-1,3,7-trisulfonic acid"	""	"1,3,7-Naphthalenetrisulfonic acid|naphthalene-1,3,7-trisulfonic acid"	"C1(=CC(=CC2=CC=C(C=C12)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O"	"FEWNRIKJXAQRJJ-UHFFFAOYSA-N"	"InChI=1S/C10H8O9S3/c11-20(12,13)7-2-1-6-3-8(21(14,15)16)5-10(9(6)4-7)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)"	""	""	""
"4773"	"N-(4'-pentanonyl)-4-(4''-dimethylamino-styryl)pyridinium"	""	"Synthetic organic"	""	""	""	""	"178101479"	"73755107"	""	""	""	""	""	""	""	"5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]pentan-2-one"	""	""	"CC(=O)CCC[n+]1ccc(cc1)/C=C/c1ccc(cc1)N(C)C"	"FEDCZUMZENXUPU-UHFFFAOYSA-N"	"InChI=1S/C20H25N2O/c1-17(23)5-4-14-22-15-12-19(13-16-22)7-6-18-8-10-20(11-9-18)21(2)3/h6-13,15-16H,4-5,14H2,1-3H3/q+1"	""	""	""
"423"	"N(6)-cyclohexyladenosine"	""	"Synthetic organic"	""	""	""	""	"135650675"	"9841284"	""	""	"CHEMBL45891"	""	""	""	""	"(2R,3R,4S,5R)-2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	""	"CHA"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCCC1"	"SZBULDQSDUXAPJ-XNIJJKJLSA-N"	"InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1"	""	""	""
"2129"	"N&#8242;,2-diphenylquinoline-4-carbohydrazide"	""	"Synthetic organic"	""	""	""	""	"135650676"	"16049828"	""	""	"CHEMBL219162"	""	""	""	""	"methyl N-[(3-methoxy-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate"	""	"compound 2g [PMID: 16950620]"	"COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1"	"JLSTVOPSMZBZSR-UHFFFAOYSA-N"	"InChI=1S/C25H21N3O4/c1-31-23-21(24(29)27-28(25(30)32-2)18-13-7-4-8-14-18)19-15-9-10-16-20(19)26-22(23)17-11-5-3-6-12-17/h3-16H,1-2H3,(H,27,29)"	""	""	""
"2450"	"NAADP"	""	"Metabolite"	""	""	""	""	"53801022"	"123953"	""	""	""	""	""	""	""	"1-[(2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylic acid"	""	"NAADP+|nicotinic acid adenine dinucleotide phosphate"	"O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=O)O)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)n1cnc2c1ncnc2N)O)O"	"QOTXBMGJKFVZRD-HISDBWNOSA-O"	"InChI=1S/C21H27N6O18P3/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(44-46(33,34)35)14(29)11(43-20)6-41-48(38,39)45-47(36,37)40-5-10-13(28)15(30)19(42-10)26-3-1-2-9(4-26)21(31)32/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6H2,(H6-,22,23,24,31,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1"	""	""	""
"1405"	"NAAG"	""	"Metabolite"	""	""	""	""	"135651520"	"188803"	""	""	"CHEMBL1329032"	""	""	""	""	"(2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]pentanedioic acid"	"spaglumic acid"	"<i>N</i>-acetylaspartylglutamate|isospaglumic acid|spaglumic acid"	"OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)C)CC(=O)O"	"OPVPGKGADVGKTG-BQBZGAKWSA-N"	"InChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1"	""	""	""
"13588"	"NAB739"	""	"Peptide"	""	""	""	""	"504705407"	"77282695"	""	""	""	""	""	""	""	""	""	""	"CCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)NC1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)[C@@H](C)O"	"MDZVFKKBSGQKQR-XNUGQAHBSA-N"	"InChI=1S/C50H85N13O13/c1-6-7-8-9-13-16-39(67)62-41(30(5)66)50(76)61-38(27-64)48(74)58-35-20-24-54-49(75)40(29(4)65)63-45(71)34(19-23-53)56-42(68)32(17-21-51)57-46(72)36(25-28(2)3)59-47(73)37(26-31-14-11-10-12-15-31)60-43(69)33(18-22-52)55-44(35)70/h10-12,14-15,28-30,32-38,40-41,64-66H,6-9,13,16-27,51-53H2,1-5H3,(H,54,75)(H,55,70)(H,56,68)(H,57,72)(H,58,74)(H,59,73)(H,60,69)(H,61,76)(H,62,67)(H,63,71)/t29-,30-,32+,33+,34+,35?,36?,37-,38+,40+,41+/m1/s1"	""	""	"yes"
"13244"	"N-A&beta;core hexapeptide"	""	"Peptide"	""	""	""	""	"491300026"	"0"	""	""	""	""	""	""	""	""	""	"N-A&beta;(10-15)|N-A&beta;<sub>10-15</sub>|N-A&beta;core"	""	""	""	""	""	""
"9071"	"nabilone"	""	"Synthetic organic"	"yes"	""	""	""	"315661156"	"39860"	""	""	"CHEMBL2218896"	""	""	""	""	"1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one"	"nabilone"	"Cesamet&reg;|LY 109514|LY-109514"	"CCCCCCC(c1cc(O)c2c(c1)OC(C1C2CC(=O)CC1)(C)C)(C)C"	"GECBBEABIDMGGL-UHFFFAOYSA-N"	"InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3"	""	""	""
"7245"	"nabumetone"	""	"Synthetic organic"	"yes"	""	""	""	"178103819"	"4409"	""	""	"CHEMBL1070"	""	""	""	""	"4-(6-methoxynaphthalen-2-yl)butan-2-one"	"nabumetone"	"BRL-14777|Relafen&reg;"	"COc1ccc2c(c1)ccc(c2)CCC(=O)C"	"BLXXJMDCKKHMKV-UHFFFAOYSA-N"	"InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3"	"yes"	""	""
"6299"	"N-acetyl-4-benzoquinoneimine"	""	"Synthetic organic"	""	""	""	""	"178102919"	"39763"	""	""	"CHEMBL33232"	""	""	""	""	"N-(4-oxo-1-cyclohexa-2,5-dienylidene)acetamide"	""	"N-acetyl-p-benzo-quinoneimine|napqi"	"O=C1C=CC(=NC(=O)C)C=C1"	"URNSECGXFRDEDC-UHFFFAOYSA-N"	"InChI=1S/C8H7NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5H,1H3"	""	""	""
"5420"	"N-acetyloxyethyl-exo-THPO"	""	"Synthetic organic"	""	""	""	""	"178102073"	"73755118"	""	""	""	""	""	""	""	"3-[(3-hydroxy-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)amino]propyl acetate"	""	""	"CC(=O)OCCCNC1CCCc2c1c(O)no2"	"BQHOBAROVZNICB-UHFFFAOYSA-N"	"InChI=1S/C12H18N2O4/c1-8(15)17-7-3-6-13-9-4-2-5-10-11(9)12(16)14-18-10/h9,13H,2-7H2,1H3,(H,14,16)"	""	""	""
"5451"	"N-acetylserotonin"	""	"Metabolite"	""	""	""	""	"178102102"	"903"	""	""	"CHEMBL33103"	""	""	""	""	"N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide"	""	"<i>O</i>-demethylmelatonin|N-acetyl-5-hydroxytryptamine|NAS"	"CC(=O)NCCc1c[nH]c2c1cc(O)cc2"	"MVAWJSIDNICKHF-UHFFFAOYSA-N"	"InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)"	""	""	""
"13502"	"nacresertib"	""	"Synthetic organic"	""	""	""	""	"500839912"	"156710490"	""	""	""	""	""	""	""	"N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide"	"nacresertib"	"compound 001 [WO2021057785]"	"[H][C@@]1(CC[C@](C)(O)CC1)N2C=C3C=C(NC(=O)C4=CC=CC(C)=[N+]4[O-])C(OC)=CC3=N2"	"XYPANWHZPSKPMX-CIEDQVTBSA-N"	"InChI=1S/C22H26N4O4/c1-14-5-4-6-19(26(14)29)21(27)23-18-11-15-13-25(24-17(15)12-20(18)30-3)16-7-9-22(2,28)10-8-16/h4-6,11-13,16,28H,7-10H2,1-3H3,(H,23,27)/t16-,22-"	"yes"	""	""
"10833"	"nacubactam"	""	"Synthetic organic"	""	""	""	""	"405560274"	"73386748"	""	""	"CHEMBL3989959"	""	""	""	""	"[(2S,5R)-2-(2-aminoethoxycarbamoyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate"	"nacubactam"	"OP-0595|OP0595|RG-6080|RG6080|RO-7079901|RO7079901"	"NCCONC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O"	"RSBPYSTVZQAADE-RQJHMYQMSA-N"	"InChI=1S/C9H16N4O7S/c10-3-4-19-11-8(14)7-2-1-6-5-12(7)9(15)13(6)20-21(16,17)18/h6-7H,1-5,10H2,(H,11,14)(H,16,17,18)/t6-,7+/m1/s1"	""	""	"yes"
"2451"	"NAD"	""	"Metabolite"	""	""	""	""	"135651521"	"5892"	""	""	"CHEMBL1234613"	""	""	""	""	"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate"	""	"NAD+"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)O)[O-])O[C@H]([C@@H]1O)[n+]1cccc(c1)C(=O)N"	"BAWFJGJZGIEFAR-NNYOXOHSSA-N"	"InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1"	""	""	""
"4261"	"NADA"	""	"Synthetic organic"	""	""	""	""	"178101078"	"5282105"	""	""	"CHEMBL138921"	""	""	""	""	"(5Z,8Z,11Z,14Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]icosa-5,8,11,14-tetraenamide"	""	"<i>N</i>-arachidonyl dopamine"	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1ccc(c(c1)O)O"	"MVVPIAAVGAWJNQ-DOFZRALJSA-N"	"InChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-"	""	""	""
"4487"	"NADH"	""	"Metabolite"	""	""	""	""	"135651522"	"439153"	""	""	""	""	""	""	""	"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate"	""	""	"O[C@@H]1[C@H](O)[C@H](O[C@H]1N1C=CCC(=C1)C(=O)N)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O"	"BOPGDPNILDQYTO-NNYOXOHSSA-N"	"InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1"	""	""	""
"12919"	"nadifloxacin"	""	"Synthetic organic"	"yes"	""	""	""	"485206040"	"4410"	""	""	"CHEMBL363449"	""	""	""	""	"7-fluoro-8-(4-hydroxypiperidin-1-yl)-12-methyl-4-oxo-1-azatricyclo[7.3.1.0<sup>5,13</sup>]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid"	"nadifloxacin"	"Nadixa&reg;|OPC-7251"	"CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(CC4)O)F)C(=O)O"	"JYJTVFIEFKZWCJ-UHFFFAOYSA-N"	"InChI=1S/C19H21FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21/h8-11,23H,2-7H2,1H3,(H,25,26)"	""	""	"yes"
"554"	"nadolol"	""	"Synthetic organic"	"yes"	""	""	""	"135650678"	"39147"	""	""	"CHEMBL649"	""	""	""	""	"(2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol"	"nadolol"	"Corgard&reg;|corzide|SQ-11725"	"OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C"	"VWPOSFSPZNDTMJ-UCWKZMIHSA-N"	"InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1"	""	""	""
"3041"	"NADPH"	""	"Metabolite"	""	""	""	""	"135651524"	"22833512"	""	""	""	""	""	""	""	"[(2S,3S,4S,5S)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [[(2S,3R,4S,5S)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate"	""	"reduced nicotinamide adenine dinucleotide phosphate|TPNH"	"O[C@H]1[C@@H](O)[C@@H](O[C@@H]1N1C=CCC(=C1)C(=O)N)COP(=O)(OP(=O)(OC[C@@H]1O[C@@H]([C@H]([C@H]1O)OP(=O)(O)O)n1cnc2c1ncnc2N)O)O"	"ACFIXJIJDZMPPO-NCHANQSKSA-N"	"InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m0/s1"	""	""	""
"3045"	"NADP<sup>+</sup>"	""	"Metabolite"	""	""	""	""	"135651523"	"5886"	""	""	""	""	""	""	""	"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate"	""	"beta-nicotinamide adenine dinucleotide phosphate|coenzyme II|nicotinamide adenine dinucleotide phosphate (NADP)|triphosphopyridine nucleotide"	"O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=O)N)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)n1cnc2c1ncnc2N)O)O"	"XJLXINKUBYWONI-NNYOXOHSSA-O"	"InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1"	""	""	""
"6982"	"NAEPA"	""	"Synthetic organic"	""	""	""	""	"178103561"	"17757220"	""	""	"CHEMBL1574292"	""	""	""	""	"2-[[(E)-octadec-9-enoyl]amino]ethyl dihydrogen phosphate"	""	"N-acyl ethanolamide phosphate"	"CCCCCCCC/C=C/CCCCCCCC(=O)NCCOP(=O)(O)O"	"BCSUWOZFWWBYSX-MDZDMXLPSA-N"	"InChI=1S/C20H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26-27(23,24)25/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H2,23,24,25)/b10-9+"	""	""	""
"44"	"nafadotride"	""	"Synthetic organic"	""	""	""	""	"135650679"	"3408722"	""	""	"CHEMBL286252"	""	""	""	""	"N-[(1-butylpyrrolidin-2-yl)methyl]-4-cyano-1-methoxynaphthalene-2-carboxamide"	""	""	"CCCCN1CCCC1CNC(=O)c1cc(C#N)c2c(c1OC)cccc2"	"IDZASIQMRGPBCQ-UHFFFAOYSA-N"	"InChI=1S/C22H27N3O2/c1-3-4-11-25-12-7-8-17(25)15-24-22(26)20-13-16(14-23)18-9-5-6-10-19(18)21(20)27-2/h5-6,9-10,13,17H,3-4,7-8,11-12,15H2,1-2H3,(H,24,26)"	""	""	""
"4262"	"nafamostat"	""	"Synthetic organic"	"yes"	""	""	""	"178101079"	"4413"	""	""	"CHEMBL273264"	""	""	""	""	"6-carbamimidoylnaphthalen-2-yl 4-[(diaminomethylidene)amino]benzoate"	"nafamostat"	"CKD-314|CKD314|FUT-175|Nafabelltan&reg;"	"NC(=Nc1ccc(cc1)C(=O)Oc1ccc2c(c1)ccc(c2)C(=N)N)N"	"MQQNFDZXWVTQEH-UHFFFAOYSA-N"	"InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)"	""	""	""
"3902"	"nafarelin"	""	"Peptide"	"yes"	""	""	""	"178100736"	"25077405"	""	""	"CHEMBL1201309"	""	""	""	""	""	"nafarelin"	"Synarel&reg;"	"CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](Cc1cc2ccccc2cc1)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1"	"RWHUEXWOYVBUCI-ITQXDASVSA-N"	"InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1"	""	""	""
"10942"	"nafcillin"	""	"Synthetic organic"	"yes"	""	""	""	"405560383"	"8982"	""	""	"CHEMBL1443"	""	""	""	""	"(2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"nafcillin"	"Ethoxynaphthamido Penicillin Sodium|Nallpen&reg;|Unipen&reg;"	"CCOc1ccc2c(c1C(=O)N[C@@H]1C(=O)N3[C@@H]1SC([C@@H]3C(=O)O)(C)C)cccc2"	"GPXLMGHLHQJAGZ-JTDSTZFVSA-N"	"InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1"	""	""	"yes"
"10834"	"nafithromycin"	""	"Synthetic organic"	""	""	""	""	"405560275"	"117587595"	""	""	"CHEMBL4297519"	""	""	""	""	"(1S,2R,5R,7R,8R,9R,11R,13R,14S,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,6,12,16-tetraoxo-N'-[(1S)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)ethoxy]-3,17-dioxabicyclo[12.3.0]heptadecane-15-carboximidamide"	"nafithromycin"	"WCK 4873|WCK-4873|WCK4873"	"CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)[C@H]2/C(=N/O[C@H](c1nnc(s1)c1ccccn1)C)/N)C)C)(C)OC"	"RLFCSBSRGRJFRO-QAOQTAGDSA-N"	"InChI=1S/C42H62N6O11S/c1-13-28-42(9)30(29(39(53)58-42)35(43)47-59-25(7)36-45-46-37(60-36)26-16-14-15-17-44-26)22(4)31(49)20(2)19-41(8,54-12)34(23(5)32(50)24(6)38(52)56-28)57-40-33(51)27(48(10)11)18-21(3)55-40/h14-17,20-25,27-30,33-34,40,51H,13,18-19H2,1-12H3,(H2,43,47)/t20-,21-,22-,23+,24-,25+,27+,28-,29-,30+,33-,34-,40+,41-,42-/m1/s1"	""	""	"yes"
"4263"	"nafoxidine"	""	"Synthetic organic"	""	""	""	""	"178101080"	"4416"	""	""	"CHEMBL28211"	""	""	""	""	"1-{2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl}pyrrolidine"	"nafoxidine"	""	"COc1ccc2c(c1)CCC(=C2c1ccc(cc1)OCCN1CCCC1)c1ccccc1"	"JEYWNNAZDLFBFF-UHFFFAOYSA-N"	"InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3"	""	""	""
"9305"	"Nag 26"	""	"Synthetic organic"	""	""	""	""	"318164824"	"91810287"	""	""	""	""	""	""	""	"N-[2-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]-3-methylbenzamide"	""	"compound 26 [PMID: 26267383]|Nag26"	"COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1cccc(c1)C)c1cccc(c1)C(=O)N(C)C"	"RHLMXWCISNJNDH-UHFFFAOYSA-N"	"InChI=1S/C32H34N4O5S/c1-22-8-5-10-25(18-22)31(37)34-17-16-33-27-12-7-13-28(21-27)35-42(39,40)30-20-24(14-15-29(30)41-4)23-9-6-11-26(19-23)32(38)36(2)3/h5-15,18-21,33,35H,16-17H2,1-4H3,(H,34,37)"	""	""	""
"4507"	"NaHCO<sub>3</sub>"	""	"Inorganic"	"yes"	""	""	""	"178101234"	"516892"	""	""	"CHEMBL1353"	""	""	""	""	""	""	"sodium bicarbonate|sodium hydrogen carbonate"	""	""	""	""	""	""
"6278"	"NaHS"	""	"Inorganic"	""	""	""	""	"178102898"	"28015"	""	""	"CHEMBL1644699"	""	""	""	""	"sodium sulfanide"	""	"sodium hydrogen sulfide|sodium hydrosulfide|sodium mercaptan|sodium sulfhydrate|sodium sulfide"	"[Na]S"	"HYHCSLBZRBJJCH-UHFFFAOYSA-M"	"InChI=1S/Na.H2S/h;1H2/q+1;/p-1"	""	""	""
"7022"	"nahuoic acid A"	""	"Synthetic organic"	""	""	""	""	"178103601"	"71521340"	""	""	""	""	""	""	""	"(2E)-3-[(1R,2R,4aR,5R,7R,8R,8aS)-5,7-dihydroxy-3,4a,8-trimethyl-2-[(2E,5S,7R,8S,9S)-5,7,9-trihydroxy-8,10-dimethylundec-2-en-2-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-2-methylprop-2-enoic acid"	""	""	"O[C@H](C[C@H]([C@@H]([C@H](C(C)C)O)C)O)C/C=C(/[C@@H]1C(=C[C@]2([C@@H]([C@H]1/C=C(/C(=O)O)\C)[C@@H](C)[C@@H](C[C@H]2O)O)C)C)\C"	"ZNAYXHSDZPSFLO-UWXUHECCSA-N"	"InChI=1S/C30H50O7/c1-15(2)28(35)20(7)23(32)12-21(31)10-9-16(3)26-18(5)14-30(8)25(34)13-24(33)19(6)27(30)22(26)11-17(4)29(36)37/h9,11,14-15,19-28,31-35H,10,12-13H2,1-8H3,(H,36,37)/b16-9+,17-11+/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,30+/m0/s1"	""	""	""
"1663"	"nalbuphine"	""	"Synthetic organic"	"yes"	""	""	""	"135650680"	"5311304"	""	""	"CHEMBL895"	""	""	""	""	"(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol"	"nalbuphine"	"Nubain&reg;"	"O[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CCC2)ccc1O)O"	"NETZHAKZCGBWSS-CEDHKZHLSA-N"	"InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1"	""	""	""
"9150"	"naldemedine"	""	"Synthetic organic"	"yes"	""	""	""	"315661235"	"54732242"	""	""	"CHEMBL2105755"	""	""	""	""	"(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,7,9-trihydroxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-6-carboxamide"	"naldemedine"	"compound 9k [PMID: 30446313]|S-297,995|S-297995"	"O=C(C1=C(O)[C@H]2[C@]34[C@](C1)(O)[C@@H](Cc1c4c(O2)c(O)cc1)N(CC3)CC1CC1)NC(c1onc(n1)c1ccccc1)(C)C"	"AXQACEQYCPKDMV-RZAWKFBISA-N"	"InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39)/t22-,26+,31+,32-/m1/s1"	""	""	""
"1651"	"nalfurafine"	""	"Synthetic organic"	"yes"	""	""	""	"135651282"	"6445230"	""	""	"CHEMBL267495"	""	""	""	""	"(E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide"	"nalfurafine"	"TRK 820|TRK820"	"CN([C@@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O)C(=O)/C=C/c1ccoc1"	"XGZZHZMWIXFATA-UEZBDDGYSA-N"	"InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1"	""	""	""
"12773"	"nalidixic acid"	""	"Synthetic organic"	"yes"	"yes"	""	""	"483123321"	"4421"	""	""	"CHEMBL5"	""	""	""	""	"1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid"	"nalidixic acid"	"NegGram&reg;|Win 18,320"	"CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O"	"MHWLWQUZZRMNGJ-UHFFFAOYSA-N"	"InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)"	""	""	"yes"
"1628"	"nalmefene"	""	"Synthetic organic"	"yes"	""	""	""	"135650681"	"5284594"	""	""	"CHEMBL982"	""	""	""	""	"(1S,5R,13S,17S)-4-(cyclopropylmethyl)-14-methylidene-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-triene-10,17-diol"	"nalmefene"	"JF-1|nalmetrene|Opvee&reg; (nalmefene hydrochloride nasal spray)|ORF-11676|Revex&reg; (nalmefene hydrochloride)|Selincro&reg;"	"C=C1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O"	"WJBLNOPPDWQMCH-MBPVOVBZSA-N"	"InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1"	""	""	""
"1629"	"nalorphine"	""	"Synthetic organic"	"yes"	""	""	""	"135650682"	"5284595"	""	""	"CHEMBL415284"	""	""	""	""	"(1S,5R,13R,14S,17R)-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraene-10,14-diol"	"nalorphine"	"<i>N</i>-allyl-normorphine"	"C=CCN1CC[C@@]23[C@@H]4[C@H]1Cc1c3c(O[C@H]2[C@H](C=C4)O)c(cc1)O"	"UIQMVEYFGZJHCZ-SSTWWWIQSA-N"	"InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1"	""	""	""
"7539"	"naloxegol"	""	"Synthetic organic"	"yes"	""	""	""	"187051840"	"56959087"	""	""	"CHEMBL2219418"	""	""	""	""	"(4R,4aS,7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol"	"naloxegol"	"AZ-13337019|AZ13337019|Movantik&reg;|Moventig&reg;|NKTR-118"	"COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC=C)ccc1O)O"	"XNKCCCKFOQNXKV-ZRSCBOBOSA-N"	"InChI=1S/C34H53NO11/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2/h3-5,28-29,32,36-37H,1,6-25H2,2H3/t28-,29+,32-,33-,34+/m0/s1"	""	""	""
"1677"	"naloxonazine"	""	"Synthetic organic"	""	""	""	""	"135650683"	"9576413"	""	""	""	""	""	""	""	"(1S,5R,13R,14Z,17S)-14-{2-[(1S,5R,13R,14Z,17S)-10,17-dihydroxy-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-14-ylidene]hydrazin-1-ylidene}-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-triene-10,17-diol"	""	"NSC 612113"	"C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2/C(=N\N=C/2\CC[C@@]3([C@@]56[C@H]2Oc2c6c(C[C@H]3N(CC5)CC=C)ccc2O)O)/CC4)c(cc1)O)O"	"AJPSBXJNFJCCBI-HNJBNLCWSA-N"	"InChI=1S/C38H42N4O6/c1-3-15-41-17-13-35-29-21-5-7-25(43)31(29)47-33(35)23(9-11-37(35,45)27(41)19-21)39-40-24-10-12-38(46)28-20-22-6-8-26(44)32-30(22)36(38,34(24)48-32)14-18-42(28)16-4-2/h3-8,27-28,33-34,43-46H,1-2,9-20H2/b39-23-,40-24-/t27-,28-,33+,34+,35+,36+,37-,38-/m1/s1"	""	""	""
"1668"	"(+)-naloxone"	""	"Synthetic organic"	""	""	""	""	"135650685"	"71774987"	""	""	""	""	""	""	""	"(4R,4aR,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one"	""	""	"C=CCN1CC[C@@]23[C@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O"	"UZHSEJADLWPNLE-FCLVOEFKSA-N"	"InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19+/m1/s1"	""	""	""
"1638"	"naloxone"	""	"Synthetic organic"	"yes"	""	""	""	"135650684"	"5284596"	""	""	"CHEMBL80"	""	""	""	""	"(1S,5R,13R,17S)-10,17-dihydroxy-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one"	"naloxone"	"(-)-naloxone|Kloxxado&reg; (naloxone hydrochloride nasal spray)|l-naloxone|Narcan&reg;|Nyxoid&reg;"	"C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O"	"UZHSEJADLWPNLE-GRGSLBFTSA-N"	"InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1"	""	""	""
"1664"	"naloxone benzoylhydrazone"	""	"Synthetic organic"	""	""	""	""	"135650686"	"9601084"	""	""	"CHEMBL1256836"	""	""	""	""	"N-[(E)-[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ylidene]amino]benzamide"	""	"nalbzoh"	"C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2/C(=N/NC(=O)c2ccccc2)/CC4)c(cc1)O)O"	"AKXCFAYOTIEFOH-XTNAHFASSA-N"	"InChI=1S/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)/b27-18+/t20-,23+,25+,26-/m1/s1"	""	""	""
"1639"	"naltrexone"	""	"Synthetic organic"	"yes"	""	""	""	"135650687"	"5360515"	""	""	"CHEMBL19019"	""	""	""	""	"(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one"	"naltrexone"	"(-)naltrexone|naltrexone HCl|ReVia&reg;"	"O=C1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O"	"DQCKKXVULJGBQN-XFWGSAIBSA-N"	"InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1"	""	""	""
"1640"	"naltriben"	""	"Synthetic organic"	""	""	""	""	"135650688"	"5486827"	""	""	"CHEMBL100940"	""	""	""	""	""	""	"naltrindole benzofuran|NTB"	"Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1oc1c2cccc1)CC1CC1"	"ZHVWWEYETMPAMX-IFKAHUTRSA-N"	"InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1"	""	""	""
"1641"	"naltrindole"	""	"Synthetic organic"	""	""	""	""	"135650689"	"5497186"	""	""	"CHEMBL567175"	""	""	""	""	""	""	""	"Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1[nH]c1c2cccc1)CC1CC1"	"WIYUZYBFCWCCQJ-IFKAHUTRSA-N"	"InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1"	""	""	""
"10370"	"namilumab"	""	"Antibody"	""	""	""	""	"384403650"	"0"	""	""	""	""	""	""	""	""	"namilumab"	"AMG203|MT203"	""	""	""	"yes"	""	""
"12271"	"NAMPT PROTAC B4"	""	"Synthetic organic"	""	""	""	""	"473153859"	"165437867"	""	""	""	""	""	""	""	""	""	"compound 5 [PMID: 36442664]"	"O=c1n(CCC)c2c(nc1c1ccc(C(=O)NCc3cnccc3)cc1)ccc(c2)NC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](c1ccc(cc1)c1c(ncs1)C)C)O)C(C)(C)C"	"MLJZDBCOWWJHEE-LPLKMGJNSA-N"	"InChI=1S/C59H73N9O7S/c1-7-31-67-48-32-45(28-29-47(48)65-52(57(67)74)42-22-26-44(27-23-42)55(72)61-35-40-17-16-30-60-34-40)64-50(70)18-14-12-10-8-9-11-13-15-19-51(71)66-54(59(4,5)6)58(75)68-36-46(69)33-49(68)56(73)63-38(2)41-20-24-43(25-21-41)53-39(3)62-37-76-53/h16-17,20-30,32,34,37-38,46,49,54,69H,7-15,18-19,31,33,35-36H2,1-6H3,(H,61,72)(H,63,73)(H,64,70)(H,66,71)/t38-,46+,49-,54+/m0/s1"	""	""	""
"73"	"NAN 190"	""	"Synthetic organic"	""	""	""	""	"135650690"	"4431"	""	""	"CHEMBL8618"	""	""	""	""	"2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione"	""	"NAN-190|NAN190"	"COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2"	"SJDOMIRMMUGQQK-UHFFFAOYSA-N"	"InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3"	""	""	""
"6949"	"nandrolone"	""	"Synthetic organic"	"yes"	""	""	""	"178103531"	"9904"	""	""	"CHEMBL757"	""	""	""	""	"(8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one"	"nandrolone"	"19-norandrostenolone|Deca-Durabolin&reg; (decanoate ester)|Durabolin&reg; (phenylpropionate ester)"	"O=C1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C"	"NPAGDVCDWIYMMC-IZPLOLCNSA-N"	"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1"	""	""	""
"14581"	"nangibotide"	""	"Peptide"	""	""	""	""	"530846829"	"0"	""	""	""	""	""	""	""	""	""	"LR12"	""	""	""	"yes"	""	""
"14010"	"nanobody NB32"	""	"Antibody"	""	""	""	""	"518520637"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14009"	"nanobody Nb4"	""	"Antibody"	""	""	""	""	"518520636"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11464"	"Nanoluciferase-labelled relaxin"	""	"Peptide"	""	""	"yes"	""	"440816833"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11913"	"NanoLuc-INSL3"	""	"Peptide"	""	""	"yes"	""	"461663468"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11465"	"NanoLuc R3/I5 chimera"	""	"Peptide"	""	""	"yes"	""	"440816834"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10622"	"NANT"	""	"Synthetic organic"	""	""	""	""	"404859069"	"656911"	""	""	""	""	""	""	""	"2-[(4S)-4-amino-5-(2-aminoethylamino)pentyl]-1-nitroguanidine"	""	"nNOS inhibitor I"	"NCCNC[C@H](CCCN=C(N[N+](=O)[O-])N)N"	"RMSWBHUVFNFNIZ-ZETCQYMHSA-N"	"InChI=1S/C8H21N7O2/c9-3-5-12-6-7(10)2-1-4-13-8(11)14-15(16)17/h7,12H,1-6,9-10H2,(H3,11,13,14)/t7-/m0/s1"	""	""	""
"11358"	"napabucasin"	""	"Synthetic organic"	""	""	""	""	"440816727"	"10331844"	""	""	"CHEMBL64130"	""	""	""	""	"2-acetylbenzo[f][1]benzofuran-4,9-dione"	"napabucasin"	"BBI-608|BBI608"	"CC(=O)c1cc2c(o1)C(=O)c1c(C2=O)cccc1"	"DPHUWDIXHNQOSY-UHFFFAOYSA-N"	"InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3"	""	""	""
"14175"	"naperiglipron"	""	"Synthetic organic"	""	""	""	""	"518520802"	"155433819"	""	""	""	""	""	""	""	"2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl]-2-fluoro-5-methylphenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid"	"naperiglipron"	"example 2 [WO2020263695]|LY-3549492|LY3549492"	"CC1=CC(=C(C=C1C2=NC(=CC=C2)OCC3=C(C=C(C=C3)C#N)F)F)CC4=NC5=C(N4C[C@@H]6CCO6)C=C(C=C5)C(=O)O"	"QZQFEJHDNYVBKL-DEOSSOPVSA-N"	"InChI=1S/C33H26F2N4O4/c1-19-11-23(14-31-37-29-8-7-21(33(40)41)13-30(29)39(31)17-24-9-10-42-24)27(35)15-25(19)28-3-2-4-32(38-28)43-18-22-6-5-20(16-36)12-26(22)34/h2-8,11-13,15,24H,9-10,14,17-18H2,1H3,(H,40,41)/t24-/m0/s1"	""	""	""
"5509"	"naphazoline"	""	"Synthetic organic"	"yes"	""	""	""	"178102155"	"4436"	""	""	"CHEMBL761"	""	""	""	""	"2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole"	"naphazoline"	"Naphcon&reg;"	"C1CN=C(N1)Cc1cccc2c1cccc2"	"CNIIGCLFLJGOGP-UHFFFAOYSA-N"	"InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)"	""	""	""
"10396"	"naphthoquine"	""	"Synthetic organic"	""	""	""	""	"384403675"	"9851775"	""	""	""	""	""	""	""	"2-[(tert-butylamino)methyl]-4-[(7-chloroquinolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol"	""	""	"Clc1ccc2c(c1)nccc2Nc1cc(CNC(C)(C)C)c(c2c1CCCC2)O"	"VEVMYTDOWUQLGI-UHFFFAOYSA-N"	"InChI=1S/C24H28ClN3O/c1-24(2,3)27-14-15-12-22(17-6-4-5-7-18(17)23(15)29)28-20-10-11-26-21-13-16(25)8-9-19(20)21/h8-13,27,29H,4-7,14H2,1-3H3,(H,26,28)"	""	"yes"	""
"8807"	"naphthylvinylmethylpyridine"	""	"Synthetic organic"	""	""	""	""	"252827465"	"5758582"	""	""	"CHEMBL106212"	""	""	""	""	"1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium"	""	"(E)-4-(1-naphthylvinyl)pyridine methochloride|compound 2 [PMID: 3351860]"	"C[n+]1ccc(cc1)/C=C/c1cccc2c1cccc2"	"FJFKCRZPKGCGJE-MDZDMXLPSA-N"	"InChI=1S/C18H16N/c1-19-13-11-15(12-14-19)9-10-17-7-4-6-16-5-2-3-8-18(16)17/h2-14H,1H3/q+1/b10-9+"	""	""	""
"10658"	"naporafenib"	""	"Synthetic organic"	""	""	""	""	"404859105"	"90456533"	""	""	""	""	""	""	""	"N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide"	"naporafenib"	"compound 15 [PMID: 31059256]|example 1156 [WO2014151616A1]|LXH-254|LXH254"	"OCCOc1cc(cc(n1)N1CCOCC1)c1cc(ccc1C)NC(=O)c1ccnc(c1)C(F)(F)F"	"UEPXBTCUIIGYCY-UHFFFAOYSA-N"	"InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34)"	""	""	""
"9551"	"naproxcinod"	""	"Synthetic organic"	""	""	""	""	"336446937"	"9884642"	""	""	"CHEMBL2103831"	""	""	""	""	"4-nitrooxybutyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate"	"naproxcinod"	"AZD-3582|AZD3582|HCT-3012|NO-naproxen"	"COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)OCCCCO[N+](=O)[O-])C"	"AKFJWRDCWYYTIG-ZDUSSCGKSA-N"	"InChI=1S/C18H21NO6/c1-13(18(20)24-9-3-4-10-25-19(21)22)14-5-6-16-12-17(23-2)8-7-15(16)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3/t13-/m0/s1"	"yes"	""	""
"5230"	"naproxen"	""	"Synthetic organic"	"yes"	""	""	""	"178101914"	"156391"	""	""	"CHEMBL154"	""	""	""	""	"(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid"	"naproxen"	"(<i>S</i>)-naproxen|Aleve&reg;|Naprosy&reg;"	"COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C"	"CMWTZPSULFXXJA-VIFPVBQESA-N"	"InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1"	"yes"	""	""
"11008"	"napsamycin C"	""	"Natural product"	""	""	""	""	"405560449"	"3037898"	""	""	""	""	""	""	""	"2-[[1-[[1-[[(Z)-[5-(2,4-dioxo-1,3-diazinan-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-3-[(6-hydroxy1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-methylamino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid"	""	""	"CSCCC(C(=O)NC(C(N(C(=O)C1NCc2c(C1)cc(cc2)O)C)C)C(=O)N/C=C\1/CC(C(O1)N1CCC(=O)NC1=O)O)NC(=O)NC(C(=O)O)Cc1cccc(c1)O"	"MFEPAAMYDYMBSN-XHPQRKPJSA-N"	"InChI=1S/C39H50N8O12S/c1-20(46(2)35(54)28-16-23-15-25(49)8-7-22(23)18-40-28)32(34(53)41-19-26-17-30(50)36(59-26)47-11-9-31(51)44-39(47)58)45-33(52)27(10-12-60-3)42-38(57)43-29(37(55)56)14-21-5-4-6-24(48)13-21/h4-8,13,15,19-20,27-30,32,36,40,48-50H,9-12,14,16-18H2,1-3H3,(H,41,53)(H,45,52)(H,55,56)(H2,42,43,57)(H,44,51,58)/b26-19-"	""	""	"yes"
"11009"	"napsamycin D"	""	"Natural product"	""	""	""	""	"405560450"	"3037899"	""	""	""	""	""	""	""	"2-[[1-[[1-[[(Z)-[5-(2,4-dioxo-1,3-diazinan-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-3-[(6-hydroxy-1-methyl1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-methylamino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid"	""	""	"CSCCC(C(=O)NC(C(N(C(=O)C1NC(C)c2c(C1)cc(cc2)O)C)C)C(=O)N/C=C\1/CC(C(O1)N1CCC(=O)NC1=O)O)NC(=O)NC(C(=O)O)Cc1cccc(c1)O"	"AZGANZVUWUCOGH-XHPQRKPJSA-N"	"InChI=1S/C40H52N8O12S/c1-20-27-9-8-25(50)16-23(27)17-29(42-20)36(55)47(3)21(2)33(35(54)41-19-26-18-31(51)37(60-26)48-12-10-32(52)45-40(48)59)46-34(53)28(11-13-61-4)43-39(58)44-30(38(56)57)15-22-6-5-7-24(49)14-22/h5-9,14,16,19-21,28-31,33,37,42,49-51H,10-13,15,17-18H2,1-4H3,(H,41,54)(H,46,53)(H,56,57)(H2,43,44,58)(H,45,52,59)/b26-19-"	""	""	"yes"
"9948"	"naptumomab estafenatox"	""	"Antibody"	""	""	""	""	"374883835"	"0"	""	""	"CHEMBL1743045"	""	""	""	""	""	""	"ABR-217620|ABR217620|Anyara (proposed trade name)|TTS CD3|TTS-CD3"	""	""	""	"yes"	""	""
"9248"	"naquotinib"	""	"Synthetic organic"	""	""	""	""	"315661323"	"71667668"	""	""	""	""	""	""	""	"6-ethyl-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxypyrazine-2-carboxamide"	"naquotinib"	"ASP8273"	"C=CC(=O)N1CC[C@H](C1)Oc1nc(Nc2ccc(cc2)N2CCC(CC2)N2CCN(CC2)C)c(nc1CC)C(=O)N"	"QKDCLUARMDUUKN-XMMPIXPASA-N"	"InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1"	""	""	""
"3635"	"N-arachidonoylglycine"	""	"Metabolite"	""	""	""	""	"178100542"	"5283389"	""	""	"CHEMBL161343"	""	""	""	""	"2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]acetic acid"	""	"NAG|NAGly"	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O"	"YLEARPUNMCCKMP-DOFZRALJSA-N"	"InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-,13-12-,16-15-"	""	""	""
"13684"	"N-arachidonoyl-L-serine"	""	"Metabolite"	""	""	""	""	"507750318"	"10596625"	""	""	"CHEMBL1928588"	""	""	""	""	"(2S)-3-hydroxy-2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]propanoic acid"	""	"ARA-S|EMA-6"	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](CO)C(=O)O"	"FQUVPTVNRMUOPO-UPQKDGGNSA-N"	"InChI=1S/C23H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(26)24-21(20-25)23(27)28/h6-7,9-10,12-13,15-16,21,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)(H,27,28)/b7-6-,10-9-,13-12-,16-15-/t21-/m0/s1"	""	""	""
"5495"	"N-arachidonyl-D-alanine"	""	"Synthetic organic"	""	""	""	""	"178102142"	"73755122"	""	""	""	""	""	""	""	"(2R)-2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]amino}propanoic acid"	""	""	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCN[C@@H](C(=O)O)C"	"ZMBYGVKXTACGHR-FQPARAGTSA-N"	"InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22(2)23(25)26/h7-8,10-11,13-14,16-17,22,24H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1"	""	""	""
"5494"	"N-arachidonyl-&gamma;-aminobutyric acid"	""	"Synthetic organic"	""	""	""	""	"178102141"	"16759310"	""	""	"CHEMBL456340"	""	""	""	""	"4-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenamido]butanoic acid"	""	"arachidonoyl GABA|NA-GABA"	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCC(=O)O"	"JKUDIEXTAYKJNX-DOFZRALJSA-N"	"InChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25-22-19-21-24(27)28/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,25,26)(H,27,28)/b7-6-,10-9-,13-12-,16-15-"	""	""	""
"5493"	"N-arachidonyl-glycine"	""	"Synthetic organic"	""	""	""	""	"178102140"	"11515787"	""	""	""	""	""	""	""	"2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]amino}acetic acid"	""	""	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNCC(=O)O"	"SYVLWSBAKCQOBP-DOFZRALJSA-N"	"InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22(24)25/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-"	""	""	""
"10835"	"narasin"	""	"Synthetic organic"	""	""	""	""	"405560276"	"65452"	""	""	"CHEMBL2104423"	""	""	""	""	""	"narasin"	"C-7819B|Lilly 79891|Monteban&reg;|Narasin A"	"CC[C@H]([C@H]1O[C@]2(C=C[C@H]([C@@]3(O2)CC[C@@](O3)(C)[C@H]2CC[C@]([C@@H](O2)C)(O)CC)O)[C@@H](C[C@@H]1C)C)C(=O)[C@H]([C@H]([C@@H]([C@@H]1O[C@H]([C@H](C[C@@H]1C)C)[C@H](C(=O)O)CC)C)O)C"	"VHKXXVVRRDYCIK-CWCPJSEDSA-N"	"InChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1"	""	""	"yes"
"45"	"naratriptan"	""	"Synthetic organic"	"yes"	""	""	""	"135650691"	"4440"	""	""	"CHEMBL1278"	""	""	""	""	"N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide"	"naratriptan"	"Amerge&reg;|GR-85548A"	"CNS(=O)(=O)CCc1ccc2c(c1)c(c[nH]2)C1CCN(CC1)C"	"AMKVXSZCKVJAGH-UHFFFAOYSA-N"	"InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3"	""	""	""
"9949"	"naratuximab emtansine"	""	"Antibody"	""	""	""	""	"374883836"	"0"	""	""	""	""	""	""	""	""	"naratuximab emtansine"	"IMGN-529|IMGN529|K7153A-SMCC-DM1"	""	""	""	"yes"	""	""
"11879"	"narazaciclib"	""	"Synthetic organic"	""	""	""	""	"461663435"	"56649281"	""	""	"CHEMBL3115681"	""	""	""	""	""	"narazaciclib"	"compound 7x [PMID: 24417566]|ON-123300|ON123300"	"C1(CCCC1)n1c(=O)c(cc2c1nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C)C#N"	"VADOZMZXXRBXNY-UHFFFAOYSA-N"	"InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28)"	""	""	""
"13150"	"narceine"	""	"Natural product"	""	""	""	""	"491299932"	"8564"	""	""	"CHEMBL486305"	""	""	""	""	"6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid"	""	"narcein"	"CN(C)CCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2"	"DEXMFYZAHXMZNM-UHFFFAOYSA-N"	"InChI=1S/C23H27NO8/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27)"	""	""	""
"14528"	"nargenicin A1"	""	"Natural product"	""	""	""	""	"528429849"	"6326334"	""	""	""	""	""	""	""	"[(1S,3R,4R,5R,6R,7S,8R,11S,13S,16S,17R,18E)-6-hydroxy-16-[(1R)-1-hydroxyethyl]-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.0<sup>1,7</sup>.0<sup>3,8</sup>]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate"	""	"CP 47,444"	"C/C=1/[C@@]23O[C@H]4[C@@H]([C@@H]([C@H]([C@]2([H])[C@@]4([H])C=C[C@]3([H])C[C@H](OC)C(O[C@]([C@@H](/C1)C)([H])[C@H](O)C)=O)O)C)OC(C5=CC=CN5)=O"	"YEUSSARNQQYBKH-SIMZXIQRSA-N"	"InChI=1S/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11+/t13-,15-,16-,17-,18-,20+,21+,22-,23+,24-,25-,28+/m1/s1"	""	""	"yes"
"10298"	"naringenin"	""	"Natural product"	""	""	""	""	"381744979"	"932"	""	""	"CHEMBL32571"	""	""	""	""	"5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one"	""	"BE-14348A|naringetol"	"Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O"	"FTVWIRXFELQLPI-UHFFFAOYSA-N"	"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2"	""	""	""
"4738"	"naringin"	""	"Natural product"	""	""	""	""	"178101449"	"442428"	""	""	"CHEMBL451532"	""	""	""	""	"(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one"	""	""	"OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](CC3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O"	"DFPMSGMNTNDNHN-ZPHOTFPESA-N"	"InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1"	""	""	""
"11572"	"narlaprevir"	""	"Synthetic organic"	"yes"	""	""	""	"441604944"	"11857239"	""	""	"CHEMBL1255891"	""	""	""	""	"narlaprevir"	"narlaprevir"	"Arlansa&reg;|SCH 900518|SCH-900518|SCH900518"	"CCCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)NC1(CCCCC1)CS(=O)(=O)C(C)(C)C"	"RICZEKWVNZFTNZ-LFGITCQGSA-N"	"InChI=1S/C36H61N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-26,28H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24-,25-,26-,28+/m0/s1"	""	""	""
"13084"	"narlumosbart"	""	"Antibody"	"yes"	""	""	""	"491299866"	"0"	""	""	""	""	""	""	""	""	"narlumosbart"	"Jinlitai&reg;|JMT-103|JMT103"	""	""	""	""	""	""
"12373"	"narmafotinib"	""	"Synthetic organic"	""	""	""	""	"479821164"	"60162119"	""	""	"CHEMBL3689071"	""	""	""	""	""	"narmafotinib"	"AMP-945|AMP945|CTX-0294945|example 3 [US9120761B2]"	"CN1CCC(CC1)c1cc(c(cc1)Nc1ncc(c(n1)CCc1ccccc1CC(=O)N)C(F)(F)F)OC"	"AWJVIOYPZZZYAX-UHFFFAOYSA-N"	"InChI=1S/C28H32F3N5O2/c1-36-13-11-19(12-14-36)21-8-10-24(25(15-21)38-2)35-27-33-17-22(28(29,30)31)23(34-27)9-7-18-5-3-4-6-20(18)16-26(32)37/h3-6,8,10,15,17,19H,7,9,11-14,16H2,1-2H3,(H2,32,37)(H,33,34,35)"	""	""	""
"14317"	"narsoplimab"	""	"Antibody"	"yes"	""	""	""	"523352109"	"0"	""	""	""	""	""	""	""	""	"narsoplimab"	"narsoplimab-wuug|OMS-721|OMS721|Yartemlea&reg;"	""	""	""	""	""	""
"3226"	"NAS181"	""	"Synthetic organic"	""	""	""	""	"178100283"	"4233538"	""	""	"CHEMBL57406"	""	""	""	""	"4-{[8-(morpholin-2-ylmethoxy)-2H-chromen-3-yl]methyl}morpholine"	""	""	"C1COC(CN1)COc1cccc2c1OCC(=C2)CN1CCOCC1"	"RTKDBEOSPDFLGD-UHFFFAOYSA-N"	"InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2"	""	""	""
"14201"	"NAS-181 free base"	""	"Synthetic organic"	""	""	""	""	"518520828"	"9955015"	""	""	"CHEMBL1789131"	""	""	""	""	"(2R)-2-[[3-(morpholin-4-ylmethyl)-2H-chromen-8-yl]oxymethyl]morpholine"	""	"(R)-25 [PMID:9599242]"	"N1(CCOCC1)CC=2COC3=C(C2)C=CC=C3OC[C@H]4CNCCO4"	"RTKDBEOSPDFLGD-QGZVFWFLSA-N"	"InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2/t17-/m1/s1"	""	""	""
"2340"	"Na<sup>+</sup>"	""	"Inorganic"	""	""	""	""	"135652743"	"923"	""	""	""	""	""	""	""	""	""	"sodium ion"	""	""	""	""	""	""
"6591"	"natalizumab"	""	"Antibody"	"yes"	""	""	""	"178103204"	"0"	""	""	""	""	""	""	""	""	"natalizumab"	"AN100226|anti-alpha4 integrin|anti-VLA4|Tysabri&reg;"	""	""	""	"yes"	""	""
"6833"	"nateglinide"	""	"Synthetic organic"	"yes"	""	""	""	"178103439"	"5311309"	""	""	"CHEMBL783"	""	""	""	""	"(2R)-3-phenyl-2-{[(1r,4r)-4-(propan-2-yl)cyclohexyl]formamido}propanoic acid"	"nateglinide"	"AY-4166|SDZ-DJN-608|Starlix&reg;"	"CC([C@@H]1CC[C@H](CC1)C(=O)N[C@@H](C(=O)O)Cc1ccccc1)C"	"OELFLUMRDSZNSF-BRWVUGGUSA-N"	"InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17-/m1/s1"	""	""	""
"14029"	"natrin"	""	"Synthetic organic"	""	""	""	""	"518520656"	"19130"	""	""	""	""	""	""	""	"2-(2,4,5-trichlorophenoxy)ethyl hydrogen sulfate"	""	"2,4,5-TES"	"C1=C(C(=CC(=C1Cl)Cl)Cl)OCCOS(=O)(=O)O"	"YWNCRLWPJZLWGH-UHFFFAOYSA-N"	"InChI=1S/C8H7Cl3O5S/c9-5-3-7(11)8(4-6(5)10)15-1-2-16-17(12,13)14/h3-4H,1-2H2,(H,12,13,14)"	""	""	""
"11142"	"Natural cytotoxicity triggering receptor 3 ligand 1"	"Human"	"Peptide"	""	""	""	""	"434122202"	"0"	"Q68D85"	"ENSG00000188211"	""	""	""	""	""	""	""	"B7-H6|B7H6"	""	""	""	"yes"	""	""
"14182"	"NAV2729"	""	"Synthetic organic"	""	""	""	""	"518520809"	"2257249"	""	""	"CHEMBL3716578"	""	""	""	""	"2-benzyl-3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one"	""	"Grassofermata|NAV-2729"	"O=C1C=C(C2=CC=C([N+]([O-])=O)C=C2)NC3=C(C4=CC=C(Cl)C=C4)C(CC5=CC=CC=C5)=NN13"	"GUUWHOSUKOCRHG-UHFFFAOYSA-N"	"InChI=1S/C25H17ClN4O3/c26-19-10-6-18(7-11-19)24-22(14-16-4-2-1-3-5-16)28-29-23(31)15-21(27-25(24)29)17-8-12-20(13-9-17)30(32)33/h1-13,15,27H,14H2"	""	""	""
"10452"	"navacaprant"	""	"Synthetic organic"	""	""	""	""	"385612212"	"137434175"	""	""	"CHEMBL4592045"	""	""	""	""	"1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine"	"navacaprant"	"BTRX-335140|BTRX335140|compound 58 [PMID: 30707578]|CYM-53093|CYM53093|NMRA-140|NMRA-335140|NMRA140"	"CCc1cc(F)c2c(c1)c(C)c(c(n2)N1CCC(CC1)NC1CCOCC1)c1onc(n1)C"	"CQOJHAJWCDJEAT-UHFFFAOYSA-N"	"InChI=1S/C25H32FN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3"	""	""	""
"9463"	"navamepent"	""	"Synthetic organic"	""	""	""	""	"329968403"	"46926878"	""	""	""	""	""	""	""	"propan-2-yl (5S,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate"	"navamepent"	"RX-10045"	"C#CC[C@H](/C=C/C=C/C#C[C@H](CCCC(=O)OC(C)C)O)O"	"ZVOCIIHCJJEFRQ-BHXBHYJPSA-N"	"InChI=1S/C18H24O4/c1-4-10-16(19)11-7-5-6-8-12-17(20)13-9-14-18(21)22-15(2)3/h1,5-7,11,15-17,19-20H,9-10,13-14H2,2-3H3/b6-5+,11-7+/t16-,17-/m1/s1"	"yes"	""	""
"8497"	"navarixin"	""	"Synthetic organic"	""	""	""	""	"252166705"	"9865554"	""	""	"CHEMBL216981"	""	""	""	""	"2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxo-1-cyclobutenyl]amino]benzamide"	"navarixin"	"MK-7123|MK7123|SCH-527123|SCH527123"	"CC[C@H](c1ccc(o1)C)NC1=C(C(=O)C1=O)Nc1cccc(c1O)C(=O)N(C)C"	"RXIUEIPPLAFSDF-CYBMUJFWSA-N"	"InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1"	"yes"	""	""
"14293"	"navepegritide"	""	"Peptide"	"yes"	""	""	""	"521588933"	"0"	""	""	""	""	""	""	""	""	"navepegritide"	"TransCon CNP|Yuviwel&reg;"	""	""	""	""	""	""
"8319"	"navitoclax"	""	"Synthetic organic"	""	""	""	""	"252166531"	"24978538"	""	""	"CHEMBL443684"	""	""	""	""	"4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide"	"navitoclax"	"ABT 263|ABT-263"	"Clc1ccc(cc1)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(c(c2)S(=O)(=O)C(F)(F)F)N[C@@H](CSc2ccccc2)CCN2CCOCC2)CC(CC1)(C)C"	"JLYAXFNOILIKPP-KXQOOQHDSA-N"	"InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1"	""	""	""
"12116"	"navlimetostat"	""	"Synthetic organic"	""	""	""	""	"472319238"	"156151242"	""	""	"CHEMBL5075255"	""	""	""	""	"2-[4-[4-(aminomethyl)-1-oxo-2H-phthalazin-6-yl]-2-methylpyrazol-3-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile"	"navlimetostat"	"(M)-27|(S)-MRTX-1719|MRTX-1719|MRTX1719"	"NCc1c2c(ccc(c3c(c4c(C#N)c(OC5CC5)cc(Cl)c4F)n(C)nc3)c2)c(=O)[nH]n1"	"BZKIOORWZAXIBA-UHFFFAOYSA-N"	"InChI=1S/C23H18ClFN6O2/c1-31-22(20-15(8-26)19(33-12-3-4-12)7-17(24)21(20)25)16(10-28-31)11-2-5-13-14(6-11)18(9-27)29-30-23(13)32/h2,5-7,10,12H,3-4,9,27H2,1H3,(H,30,32)"	""	""	""
"9019"	"navoximod"	""	"Synthetic organic"	""	""	""	""	"315661104"	"66558287"	""	""	"CHEMBL3629569"	""	""	""	""	"1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol"	"navoximod"	"GDC-0919|NLG-919|NLG919|RG6078"	"OC(C1CCCCC1)CC1c2ccccc2c2n1cnc2"	"YTRRAUACYORZLX-UHFFFAOYSA-N"	"InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2"	"yes"	""	""
"11133"	"navtemadlin"	""	"Synthetic organic"	""	""	""	""	"434122193"	"58573469"	""	""	"CHEMBL3125702"	""	""	""	""	"2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(2S)-3-methyl-1-propan-2-ylsulfonylbutan-2-yl]-2-oxopiperidin-3-yl]acetic acid"	"navtemadlin"	"AMG232|compound 2 [PMID: 24456472]|KRT-232|KRT232"	"OC(=O)C[C@@]1(C)C[C@H](c2cccc(c2)Cl)[C@H](N(C1=O)[C@@H](C(C)C)CS(=O)(=O)C(C)C)c1ccc(cc1)Cl"	"DRLCSJFKKILATL-YWCVFVGNSA-N"	"InChI=1S/C28H35Cl2NO5S/c1-17(2)24(16-37(35,36)18(3)4)31-26(19-9-11-21(29)12-10-19)23(20-7-6-8-22(30)13-20)14-28(5,27(31)34)15-25(32)33/h6-13,17-18,23-24,26H,14-16H2,1-5H3,(H,32,33)/t23-,24-,26-,28-/m1/s1"	""	""	""
"11341"	"naxitamab"	""	"Antibody"	"yes"	""	""	""	"440816710"	"0"	""	""	""	""	""	""	""	""	"naxitamab"	"DANYELZA&reg;|hu3F8|naxitamab-gqgk"	""	""	""	""	""	""
"9204"	"nazartinib"	""	"Synthetic organic"	""	""	""	""	"315661280"	"72703790"	""	""	""	""	""	""	""	"N-{7-chloro-1-[(3R)-1-[(2E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl]-1H-1,3-benzodiazol-2-yl}-2-methylpyridine-4-carboxamide"	"nazartinib"	"compound 47 [PMID: 27433829]|EGF-816|EGF816"	"CN(C/C=C/C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(c2)C)nc2c1c(Cl)ccc2)C"	"IOMMMLWIABWRKL-WUTDNEBXSA-N"	"InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1"	""	""	""
"13915"	"Nb23-bi"	""	"Antibody"	""	""	""	""	"513757600"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9822"	"NB-360"	""	"Synthetic organic"	""	""	""	""	"354702293"	"66665322"	""	""	"CHEMBL3261067"	""	""	""	""	"N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide"	""	"NB360"	"N#Cc1cnc(c(c1)C)C(=O)Nc1ccc(c(c1)[C@]1(C)CO[C@@](C(=N1)N)(C)C(F)(F)F)F"	"BQFHTVUWPJXLOW-VQTJNVASSA-N"	"InChI=1S/C21H19F4N5O2/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)19(2)10-32-20(3,18(27)30-19)21(23,24)25/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1"	""	""	""
"3103"	"NB-598"	""	"Synthetic organic"	""	""	""	""	"135650692"	"6443223"	""	""	"CHEMBL27885"	""	""	""	""	"[(2E)-6,6-dimethylhept-2-en-4-yn-1-yl](ethyl)[(3-{[4-(thiophen-3-yl)thiophen-2-yl]methoxy}phenyl)methyl]amine"	""	"NB 598"	"CCN(Cc1cccc(c1)OCc1scc(c1)c1cscc1)C/C=C/C#CC(C)(C)C"	"KIRGLCXNEVICOG-SOFGYWHQSA-N"	"InChI=1S/C27H31NOS2/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)29-19-26-17-24(21-31-26)23-12-15-30-20-23/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3/b8-6+"	""	""	""
"10039"	"NBA"	""	"Synthetic organic"	""	""	""	""	"375973227"	"1295523"	""	""	"CHEMBL1408302"	""	""	""	""	"4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]benzoic acid"	""	"compound 6 [PMID: 29579323]"	"O=C(Nc1cc(Cl)ccc1C(=O)O)COc1cccc2c1cccc2"	"OKFVCWAYHJMQFA-UHFFFAOYSA-N"	"InChI=1S/C19H14ClNO4/c20-13-8-9-15(19(23)24)16(10-13)21-18(22)11-25-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11H2,(H,21,22)(H,23,24)"	""	""	""
"14099"	"Nb-Activator-67"	""	"Antibody"	""	""	""	""	"518520726"	"0"	""	""	""	""	""	""	""	""	""	"CA10767|Nb67"	""	""	""	""	""	""
"14100"	"Nb-Activator-76"	""	"Antibody"	""	""	""	""	"518520727"	"0"	""	""	""	""	""	""	""	""	""	"CA10776|Nb76"	""	""	""	""	""	""
"2374"	"NBBCC"	""	"Synthetic organic"	""	""	""	""	"135650693"	"128618"	""	""	""	""	""	""	""	"butyl 9H-pyrido[5,4-b]indole-3-carboxylate"	""	"n-butyl-&beta;-carboline-3-carboxylate|n-butyl-beta-carboline-3-carboxylate"	"CCCCOC(=O)c1ncc2c(c1)c1ccccc1[nH]2"	"WGNGIELOOKACSB-UHFFFAOYSA-N"	"InChI=1S/C16H16N2O2/c1-2-3-8-20-16(19)14-9-12-11-6-4-5-7-13(11)18-15(12)10-17-14/h4-7,9-10,18H,2-3,8H2,1H3"	""	""	""
"3512"	"NBI27914"	""	"Synthetic organic"	""	""	""	""	"53801052"	"176157"	""	""	"CHEMBL45281"	""	""	""	""	"5-chloro-N-(cyclopropylmethyl)-2-methyl-N-propyl-N'-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine"	""	"NBI 27914|NBI-27914"	"CCCN(c1nc(C)nc(c1Cl)Nc1c(Cl)cc(cc1Cl)Cl)CC1CC1"	"KNADXBVKFAUMCR-UHFFFAOYSA-N"	"InChI=1S/C18H20Cl4N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25)"	""	""	""
"10375"	"NBI-34041"	""	"Synthetic organic"	""	""	""	""	"384403655"	"9888194"	""	""	"CHEMBL188907"	""	""	""	""	""	""	"compound 16a [PMID: 16078829]|NBI34041|SB-723620|SB723620"	"CCCC(N1CCn2c3c1cc(C)nc3c(n2)c1ccc(cc1Cl)Cl)CCC"	"AKLMUGFDGONMAA-UHFFFAOYSA-N"	"InChI=1S/C22H26Cl2N4/c1-4-6-16(7-5-2)27-10-11-28-22-19(27)12-14(3)25-21(22)20(26-28)17-9-8-15(23)13-18(17)24/h8-9,12-13,16H,4-7,10-11H2,1-3H3"	""	""	""
"11025"	"NBI-35965"	""	"Synthetic organic"	""	""	""	""	"405560466"	"11713007"	""	""	"CHEMBL380800"	""	""	""	""	"(10S)-9-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-10-ethyl-6-methyl-1,2,5,9-tetrazatricyclo[6.3.1.0^4,12]dodeca-2,4,6,8(12)-tetraene"	""	"NBI 35965|NBI35965"	"CC[C@H]1Cn2nc(c3c2c(N1CC1CC1)cc(n3)C)c1ccc(cc1Cl)Cl"	"SUCZRVASFXLXDM-HNNXBMFYSA-N"	"InChI=1S/C21H22Cl2N4/c1-3-15-11-27-21-18(26(15)10-13-4-5-13)8-12(2)24-20(21)19(25-27)16-7-6-14(22)9-17(16)23/h6-9,13,15H,3-5,10-11H2,1-2H3/t15-/m0/s1"	""	""	""
"1178"	"NBI-42902"	""	"Synthetic organic"	""	""	""	""	"135650694"	"11167850"	""	""	"CHEMBL179691"	""	""	""	""	"3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione"	""	"NBI 42902|NBI42902"	"COc1cccc(c1F)c1c(=O)n(C[C@@H](c2ccccc2)N)c(=O)n(c1C)Cc1c(F)cccc1F"	"CJUWBZDJMYYRDG-QFIPXVFZSA-N"	"InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1"	""	""	""
"4626"	"NBI-59159"	""	"Synthetic organic"	""	""	""	""	"178101344"	"11369932"	""	""	"CHEMBL1628570"	""	""	""	""	"(2S)-2-amino-3-[(9H-fluoren-2-yl)carbamoyl]propanoic acid"	""	""	"O=C(C[C@@H](C(=O)O)N)Nc1ccc2c(c1)Cc1c2cccc1"	"QDIIRLCSVINDSC-HNNXBMFYSA-N"	"InChI=1S/C17H16N2O3/c18-15(17(21)22)9-16(20)19-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)14/h1-6,8,15H,7,9,18H2,(H,19,20)(H,21,22)/t15-/m0/s1"	""	""	""
"839"	"NBI-74330"	""	"Synthetic organic"	""	""	""	""	"135650695"	"10167713"	""	""	""	""	""	""	""	"N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide"	""	"(&plusmn;)-NBI 74330|NBI74330"	"CCOc1ccc(cc1)n1c(nc2c(c1=O)cccn2)C(N(C(=O)Cc1ccc(c(c1)C(F)(F)F)F)Cc1cccnc1)C"	"XMRGQUDUVGRCBS-UHFFFAOYSA-N"	"InChI=1S/C32H27F4N5O3/c1-3-44-24-11-9-23(10-12-24)41-30(39-29-25(31(41)43)7-5-15-38-29)20(2)40(19-22-6-4-14-37-18-22)28(42)17-21-8-13-27(33)26(16-21)32(34,35)36/h4-16,18,20H,3,17,19H2,1-2H3"	"yes"	""	""
"14101"	"Nb-Inhibitor-61"	""	"Antibody"	""	""	""	""	"518520728"	"0"	""	""	""	""	""	""	""	""	""	"CA10761|Nb61"	""	""	""	""	""	""
"13550"	"NBOMe"	""	"Synthetic organic"	""	""	""	""	"500839960"	"10251906"	""	""	"CHEMBL1908863"	""	""	""	""	"2-(4-iodo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine"	""	"2C-I-NMBOMe|CIMBI-5"	"IC1=CC(=C(C=C1OC)CCNCC2=C(C=CC=C2)OC)OC"	"ZFUOLNAKPBFDIJ-UHFFFAOYSA-N"	"InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3"	""	""	""
"4264"	"NBQX"	""	"Synthetic organic"	""	""	""	""	"178101081"	"3272524"	""	""	"CHEMBL222519"	""	""	""	""	"6-nitro-2,3-dioxo-1H,2H,3H,4H-benzo[f]quinoxaline-7-sulfonamide"	""	"2,3-dihydroxy-6-nitro-7-sulfamoylbenzo(f)quinoxaline"	"[O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2c2c1c(ccc2)S(=O)(=O)N"	"UQNAFPHGVPVTAL-UHFFFAOYSA-N"	"InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)"	""	""	""
"4513"	"NBTGR "	""	"Synthetic organic"	""	""	""	""	"178101239"	"21117123"	""	""	""	""	""	""	""	"2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-{[(2-nitrophenyl)methyl]sulfanyl}-6,9-dihydro-1H-purin-6-one"	""	"nitrobenzylthioguanosine"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N)n(c2=O)SCc1ccccc1[N+](=O)[O-]"	"URJSEQDFTMBNCG-XNIJJKJLSA-N"	"InChI=1S/C17H18N6O7S/c18-17-20-14-11(19-7-21(14)16-13(26)12(25)10(5-24)30-16)15(27)22(17)31-6-8-3-1-2-4-9(8)23(28)29/h1-4,7,10,12-13,16,24-26H,5-6H2,(H2,18,20)/t10-,12-,13-,16-/m1/s1"	""	""	""
"7664"	"NC00075159"	""	"Synthetic organic"	""	""	""	""	"223365999"	"5337173"	""	""	""	""	""	""	""	"2-[5-[(4-dimethylaminophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid"	""	""	"CC(N1C(=S)S/C(=C\c2ccc(cc2)N(C)C)/C1=O)C(=O)O"	"XGTGMKYGVNHPTC-WQLSENKSSA-N"	"InChI=1S/C15H16N2O3S2/c1-9(14(19)20)17-13(18)12(22-15(17)21)8-10-4-6-11(7-5-10)16(2)3/h4-9H,1-3H3,(H,19,20)/b12-8-"	""	""	""
"10373"	"NC1"	""	"Synthetic organic"	""	""	""	""	"384403653"	"6534740"	""	""	""	""	""	""	""	"4-[[4-[(Z)-[2-(4-ethoxycarbonylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid"	""	""	"CCOC(=O)c1ccc(cc1)N=C1S/C(=C\c2ccc(c(c2)OC)OCc2ccc(cc2)C(=O)O)/C(=O)N1C"	"MEYCXOYFLJPZOT-FXALAWDZSA-N"	"InChI=1S/C29H26N2O7S/c1-4-37-28(35)21-10-12-22(13-11-21)30-29-31(2)26(32)25(39-29)16-19-7-14-23(24(15-19)36-3)38-17-18-5-8-20(9-6-18)27(33)34/h5-16H,4,17H2,1-3H3,(H,33,34)/b25-16-,30-29?"	"yes"	""	""
"2017"	"NC 4-28B"	""	"Peptide"	""	""	""	""	"135652320"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2052"	"NC 8-12"	""	"Peptide"	""	""	""	""	"135652321"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11822"	"NCATS-SM3710"	""	"Synthetic organic"	""	""	""	""	"458923857"	"134438151"	""	""	""	""	""	""	""	"4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-cyclopropylbenzamide"	""	""	"Clc1ccc(cc1)c1ccc2ncc3c(n(c(=O)cc3)c3ccc(cc3)C(=O)NC3CC3)c2c1"	"VPSFQPBONOUNSO-UHFFFAOYSA-N"	"InChI=1S/C28H20ClN3O2/c29-21-7-1-17(2-8-21)19-5-13-25-24(15-19)27-20(16-30-25)6-14-26(33)32(27)23-11-3-18(4-12-23)28(34)31-22-9-10-22/h1-8,11-16,22H,9-10H2,(H,31,34)"	""	"yes"	""
"6471"	"NCFP"	""	"Synthetic organic"	""	""	""	""	"178103085"	"11373218"	""	""	""	""	""	""	""	"N-[4-chloro-2-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide"	""	""	"Clc1ccc(c(c1)CN1C(=O)c2c(C1=O)c(F)ccc2)NC(=O)c1ccccn1"	"WBXKMHFMMCOTOK-UHFFFAOYSA-N"	"InChI=1S/C21H13ClFN3O3/c22-13-7-8-16(25-19(27)17-6-1-2-9-24-17)12(10-13)11-26-20(28)14-4-3-5-15(23)18(14)21(26)29/h1-10H,11H2,(H,25,27)"	""	""	""
"5587"	"NCG21"	""	"Synthetic organic"	""	""	""	""	"178102222"	"25098573"	""	""	"CHEMBL463785"	""	""	""	""	"4-(4-{2-[phenyl(pyridin-2-yl)amino]ethoxy}phenyl)butanoic acid"	""	"compound 12 [PMID: 19007110]|NGC21"	"OC(=O)CCCc1ccc(cc1)OCCN(c1ccccn1)c1ccccc1"	"WQXHZCYCKCQFQP-UHFFFAOYSA-N"	"InChI=1S/C23H24N2O3/c26-23(27)11-6-7-19-12-14-21(15-13-19)28-18-17-25(20-8-2-1-3-9-20)22-10-4-5-16-24-22/h1-5,8-10,12-16H,6-7,11,17-18H2,(H,26,27)"	""	""	""
"10697"	"NCGC607"	""	"Synthetic organic"	""	""	""	""	"404859144"	"46943210"	""	""	""	""	""	""	""	""	""	"KUC107647N|NCGC00241607"	"O=C(Nc1ccc(cc1)I)COc1ccccc1C(=O)NCC(=O)N(c1ccccc1)C"	"HFVDMJQQAKLUSN-UHFFFAOYSA-N"	"InChI=1S/C24H22IN3O4/c1-28(19-7-3-2-4-8-19)23(30)15-26-24(31)20-9-5-6-10-21(20)32-16-22(29)27-18-13-11-17(25)12-14-18/h2-14H,15-16H2,1H3,(H,26,31)(H,27,29)"	""	""	""
"9168"	"NCGC 84"	""	"Synthetic organic"	""	""	""	""	"315661251"	"44634573"	""	""	"CHEMBL1474387"	""	""	""	""	""	""	"ML 154|NCGC 00185684|NCGC00185684"	"Cc1n(C/C=C/c2ccccc2)c2[n+](c1P(=S)(c1ccccc1)c1ccccc1)cccc2"	"VSWYSDPXUHVQCG-DTQAZKPQSA-N"	"InChI=1S/C29H26N2PS/c1-24-29(32(33,26-17-7-3-8-18-26)27-19-9-4-10-20-27)31-22-12-11-21-28(31)30(24)23-13-16-25-14-5-2-6-15-25/h2-22H,23H2,1H3/q+1/b16-13+"	""	""	""
"344"	"N-chloromethyl-brucine"	""	"Synthetic organic"	""	""	""	""	"135652706"	"44358908"	""	""	"CHEMBL139677"	""	""	""	""	"(1S,11S,18S,20R,21R,22S)-17-(chloromethyl)-4,5-dimethoxy-9-oxo-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2(7),3,5,14-tetraen-17-ium"	""	"CMB|N-chloromethylbrucine"	"COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)CCl"	"GCEPQLWZBVGLQN-CQIPDZJVSA-N"	"InChI=1S/C24H28ClN2O4/c1-29-17-8-15-16(9-18(17)30-2)26-21(28)10-19-22-14-7-20-24(15,23(22)26)4-5-27(20,12-25)11-13(14)3-6-31-19/h3,8-9,14,19-20,22-23H,4-7,10-12H2,1-2H3/q+1/t14-,19-,20-,22-,23-,24+,27?/m0/s1"	""	""	""
"7024"	"NCL-1"	""	"Synthetic organic"	""	""	""	""	"178103603"	"73755256"	""	""	""	""	""	""	""	"(2R)-4-{3-[(1S,2R)-2-aminocyclopropyl]phenoxy}-N-benzyl-2-(phenylformamido)butanamide"	""	""	"O=C([C@H](NC(=O)c1ccccc1)CCOc1cccc(c1)[C@@H]1C[C@H]1N)NCc1ccccc1"	"DTPSXFMGMQOVTG-ISJGIBHGSA-N"	"InChI=1S/C27H29N3O3/c28-24-17-23(24)21-12-7-13-22(16-21)33-15-14-25(30-26(31)20-10-5-2-6-11-20)27(32)29-18-19-8-3-1-4-9-19/h1-13,16,23-25H,14-15,17-18,28H2,(H,29,32)(H,30,31)/t23-,24+,25+/m0/s1"	""	""	""
"8775"	"NCRW0005-F05"	""	"Synthetic organic"	""	""	""	""	"252827433"	"5017692"	""	""	""	""	""	""	""	"3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one"	""	""	"COc1ccc(cc1)C1N(c2ccccc2)C(=O)C1(F)F"	"AIIIYUSGINMZMS-UHFFFAOYSA-N"	"InChI=1S/C16H13F2NO2/c1-21-13-9-7-11(8-10-13)14-16(17,18)15(20)19(14)12-5-3-2-4-6-12/h2-10,14H,1H3"	""	""	""
"12363"	"NCRW0105-E06"	""	"Synthetic organic"	""	""	""	""	"479821154"	"5348723"	""	""	""	""	""	""	""	"3-(4-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one"	""	""	"Oc1cc2c(cc1)c(=O)c(c1ccc(Cl)cc1)c(o2)C(F)(F)F"	"LIVWZNRIYNUFRC-UHFFFAOYSA-N"	"InChI=1S/C16H8ClF3O3/c17-9-3-1-8(2-4-9)13-14(22)11-6-5-10(21)7-12(11)23-15(13)16(18,19)20/h1-7,21H"	""	""	""
"9018"	"NCX-4016"	""	"Synthetic organic"	""	""	""	""	"315661103"	"119032"	""	""	"CHEMBL374385"	""	""	""	""	"[3-(nitrooxymethyl)phenyl] 2-acetyloxybenzoate"	""	"NCX 4016|NCX4016|nitric oxide-releasing aspirin|nitroaspirin"	"[O-][N+](=O)OCc1cccc(c1)OC(=O)c1ccccc1OC(=O)C"	"IOJUJUOXKXMJNF-UHFFFAOYSA-N"	"InChI=1S/C16H13NO7/c1-11(18)23-15-8-3-2-7-14(15)16(19)24-13-6-4-5-12(9-13)10-22-17(20)21/h2-9H,10H2,1H3"	"yes"	""	""
"8082"	"ND-2110"	""	"Synthetic organic"	""	""	""	""	"249565762"	"68115559"	""	""	""	""	""	""	""	"2-[(3R)-12-{[(1r,4r)-4-(morpholin-4-yl)cyclohexyl]oxy}-7-thia-9,11-diazatricyclo[6.4.0.0²,⁶]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetamide"	""	""	"NC(=O)C[C@H]1CCc2c1c1c(ncnc1s2)O[C@@H]1CC[C@H](CC1)N1CCOCC1"	"VZOLINZYKOLXAC-RBSFLKMASA-N"	"InChI=1S/C21H28N4O3S/c22-17(26)11-13-1-6-16-18(13)19-20(23-12-24-21(19)29-16)28-15-4-2-14(3-5-15)25-7-9-27-10-8-25/h12-15H,1-11H2,(H2,22,26)/t13-,14-,15-/m1/s1"	"yes"	""	""
"8083"	"ND-2158"	""	"Synthetic organic"	""	""	""	""	"249565763"	"86343751"	""	""	""	""	""	""	""	"(2S)-2-hydroxy-3-[(3R)-12-{[(1r,4r)-4-(morpholin-4-yl)cyclohexyl]oxy}-7-thia-9,11-diazatricyclo[6.4.0.0²,⁶]dodeca-1(12),2(6),8,10-tetraen-3-yl]propanamide"	""	""	"NC(=O)[C@H](C[C@H]1CCc2c1c1c(ncnc1s2)O[C@@H]1CC[C@H](CC1)N1CCOCC1)O"	"ZSMULWAVKYFPSS-FPCVCCKLSA-N"	"InChI=1S/C22H30N4O4S/c23-20(28)16(27)11-13-1-6-17-18(13)19-21(24-12-25-22(19)31-17)30-15-4-2-14(3-5-15)26-7-9-29-10-8-26/h12-16,27H,1-11H2,(H2,23,28)/t13-,14-,15-,16+/m1/s1"	"yes"	""	""
"12579"	"NDD-713"	""	"Synthetic organic"	""	""	""	""	"479821369"	"60151587"	""	""	""	""	""	""	""	"4-[2-[[(2S)-3-[[(2R)-2-(cyclopropylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]-2-hydroxypropyl]amino]ethoxy]benzamide"	""	""	"NC(=O)C1=CC=C(OCCNC[C@H](O)COC2=CC3=C(O[C@H](COCC4CC4)CO3)C=C2)C=C1"	"KRTJSYMPULAVBC-SIKLNZKXSA-N"	"InChI=1S/C25H32N2O7/c26-25(29)18-3-5-20(6-4-18)31-10-9-27-12-19(28)14-32-21-7-8-23-24(11-21)33-16-22(34-23)15-30-13-17-1-2-17/h3-8,11,17,19,22,27-28H,1-2,9-10,12-16H2,(H2,26,29)/t19-,22+/m0/s1"	""	""	""
"12580"	"NDD-825"	""	"Synthetic organic"	""	""	""	""	"479821370"	"60150890"	""	""	""	""	""	""	""	"5-[2-[[(2S)-3-[[(2R)-2-(cyclopropylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]-2-hydroxypropyl]amino]ethoxy]-2,3-dihydroisoindol-1-one"	""	""	"O[C@@H](CNCCOC1=CC=C2C(=O)NCC2=C1)COC3=CC4=C(O[C@H](COCC5CC5)CO4)C=C3"	"CMOIARKZHIAPIY-SIKLNZKXSA-N"	"InChI=1S/C26H32N2O7/c29-19(12-27-7-8-32-20-3-5-23-18(9-20)11-28-26(23)30)14-33-21-4-6-24-25(10-21)34-16-22(35-24)15-31-13-17-1-2-17/h3-6,9-10,17,19,22,27,29H,1-2,7-8,11-16H2,(H,28,30)/t19-,22+/m0/s1"	""	""	""
"12854"	"NDI-091143"	""	"Synthetic organic"	""	""	""	""	"483123402"	"137796782"	""	""	""	""	""	""	""	"methyl 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate"	""	"NDI091143"	"COC(=O)C1=CC(=C(C(=C1)Cl)O)S(=O)(=O)NC2=C(C=C(C(=C2)C3=CC=CC=C3)F)F"	"YSTSHUWHIDBZAK-UHFFFAOYSA-N"	"InChI=1S/C20H14ClF2NO5S/c1-29-20(26)12-7-14(21)19(25)18(8-12)30(27,28)24-17-9-13(15(22)10-16(17)23)11-5-3-2-4-6-11/h2-10,24-25H,1H3"	""	""	""
"5445"	"N-docosatetra-7,10,13,16-enoylethanolamine"	""	"Synthetic organic"	""	""	""	""	"178102096"	"5282273"	""	""	"CHEMBL321585"	""	""	""	""	"(7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide"	""	"N-docosatetraenoylethanolamine"	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCCO"	"FMVHVRYFQIXOAF-DOFZRALJSA-N"	"InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-"	""	""	""
"12846"	"NDPPC"	""	"Synthetic organic"	""	""	""	""	"483123394"	"49853203"	""	""	"CHEMBL3559931"	""	""	""	""	"N-(4,6-dimethylpyridin-2-yl)-4-pyridin-4-ylpiperazine-1-carbothioamide"	""	""	"CC1=CC(=NC(=C1)C)NC(=S)N2CCN(CC2)C3=CC=NC=C3"	"ITLPIAAGIQAGRA-UHFFFAOYSA-N"	"InChI=1S/C17H21N5S/c1-13-11-14(2)19-16(12-13)20-17(23)22-9-7-21(8-10-22)15-3-5-18-6-4-15/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,23)"	""	""	""
"13009"	"NDT-19795"	""	"Synthetic organic"	""	""	""	""	"485206130"	"137465770"	""	""	""	""	""	""	""	"(2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyrimidin-2-ylpropanoic acid"	""	"NDT19795"	"C1CCC2=C(C=3CCCC3C=C12)NC(=O)O[C@@H](C(=O)O)CC4=NC=CC=N4"	"OYXWZQHGHRELLY-MRXNPFEDSA-N"	"InChI=1S/C20H21N3O4/c24-19(25)16(11-17-21-8-3-9-22-17)27-20(26)23-18-14-6-1-4-12(14)10-13-5-2-7-15(13)18/h3,8-10,16H,1-2,4-7,11H2,(H,23,26)(H,24,25)/t16-/m1/s1"	"yes"	""	""
"9746"	"NDT9513727"	""	"Synthetic organic"	""	""	""	""	"354702219"	"10210160"	""	""	""	""	""	""	""	"N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-[3-butyl-2,5-di(phenyl)imidazol-4-yl]methanamine"	""	"NDT 9513727|NDT-9513727"	"CCCCn1c(CN(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)c(nc1c1ccccc1)c1ccccc1"	"ITACCRHKSPSKKL-UHFFFAOYSA-N"	"InChI=1S/C36H35N3O4/c1-2-3-18-39-30(35(28-10-6-4-7-11-28)37-36(39)29-12-8-5-9-13-29)23-38(21-26-14-16-31-33(19-26)42-24-40-31)22-27-15-17-32-34(20-27)43-25-41-32/h4-17,19-20H,2-3,18,21-25H2,1H3"	"yes"	""	""
"578"	"NDT9520492"	""	"Synthetic organic"	""	""	""	""	"178100218"	"10218379"	""	""	""	""	""	""	""	"(2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[(1R)-1-naphthalen-1-yl-3,4-dihydro-1H-isoquinolin-2-yl]propanamide"	""	""	"C[C@H](N1CCc2c([C@@H]1c1cccc3c1cccc3)cccc2)C(=O)N(C1Cc2c(C1)cccc2)Cc1ccccc1F"	"OEINKGYXWSIVKM-KJICVINHSA-N"	"InChI=1S/C38H35FN2O/c1-26(38(42)41(25-31-15-6-9-20-36(31)39)32-23-29-13-2-3-14-30(29)24-32)40-22-21-28-12-5-8-18-34(28)37(40)35-19-10-16-27-11-4-7-17-33(27)35/h2-20,26,32,37H,21-25H2,1H3/t26-,37+/m0/s1"	""	""	""
"6679"	"NE-100"	""	"Synthetic organic"	""	""	""	""	"178103291"	"9841596"	""	""	"CHEMBL190883"	""	""	""	""	"N-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine"	""	"NE100"	"CCCN(CCc1ccc(c(c1)OCCc1ccccc1)OC)CCC"	"YBLIQJGXRLZBCZ-UHFFFAOYSA-N"	"InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3"	""	""	""
"3184"	"NE10575"	""	"Synthetic organic"	""	""	""	""	"135650696"	"9847474"	""	""	"CHEMBL99553"	""	""	""	""	"3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridin-1-ium"	""	"NE 10575|NE-10575"	"C[n+]1cccc(c1)CC(P(=O)(O)O)(P(=O)(O)O)O"	"BBNRLGQPSIXFHZ-UHFFFAOYSA-O"	"InChI=1S/C8H13NO7P2/c1-9-4-2-3-7(6-9)5-8(10,17(11,12)13)18(14,15)16/h2-4,6,10H,5H2,1H3,(H3-,11,12,13,14,15,16)/p+1"	""	""	""
"3165"	"NE10790"	""	"Synthetic organic"	""	""	""	""	"135650697"	"10014835"	""	""	"CHEMBL397829"	""	""	""	""	"2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoic acid"	""	"NE 10790"	"OC(=O)C(P(=O)(O)O)(Cc1cccnc1)O"	"FJVYPXVLXQXDHM-UHFFFAOYSA-N"	"InChI=1S/C8H10NO6P/c10-7(11)8(12,16(13,14)15)4-6-2-1-3-9-5-6/h1-3,5,12H,4H2,(H,10,11)(H2,13,14,15)"	""	""	""
"3160"	"NE11808"	""	"Synthetic organic"	""	""	""	""	"135650698"	"406401"	""	""	"CHEMBL294192"	""	""	""	""	"{1-phosphono-2-[(pyridin-2-yl)amino]ethyl}phosphonic acid"	""	"NE 11808"	"OP(=O)(C(P(=O)(O)O)CNc1ccccn1)O"	"BHVCADPDEFLLGM-UHFFFAOYSA-N"	"InChI=1S/C7H12N2O6P2/c10-16(11,12)7(17(13,14)15)5-9-6-3-1-2-4-8-6/h1-4,7H,5H2,(H,8,9)(H2,10,11,12)(H2,13,14,15)"	""	""	""
"3167"	"NE21650"	""	"Synthetic organic"	""	""	""	""	"135650699"	"9994754"	""	""	"CHEMBL414849"	""	""	""	""	"[2-(2-aminophenyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid"	""	"NE 21650"	"Nc1ccccc1CC(P(=O)(O)O)(P(=O)(O)O)O"	"VJXYJONFUZXZJZ-UHFFFAOYSA-N"	"InChI=1S/C8H13NO7P2/c9-7-4-2-1-3-6(7)5-8(10,17(11,12)13)18(14,15)16/h1-4,10H,5,9H2,(H2,11,12,13)(H2,14,15,16)"	""	""	""
"10206"	"NE 52-QQ57"	""	"Synthetic organic"	""	""	""	""	"381744888"	"68379135"	""	""	"CHEMBL3675743"	""	""	""	""	"2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole"	""	"example 35 [WO2012131633A1]|GPR4 antagonist 13|NE52-QQ57"	"CCc1nn2c(c1Cc1ccc(cc1)c1nnc(o1)C1CCNCC1)nc(cc2C)C"	"HXPQWNPLNIEJOW-UHFFFAOYSA-N"	"InChI=1S/C24H28N6O/c1-4-21-20(22-26-15(2)13-16(3)30(22)29-21)14-17-5-7-18(8-6-17)23-27-28-24(31-23)19-9-11-25-12-10-19/h5-8,13,19,25H,4,9-12,14H2,1-3H3"	"yes"	""	""
"3168"	"NE58018"	""	"Synthetic organic"	""	""	""	""	"135650700"	"405372"	""	""	"CHEMBL434024"	""	""	""	""	"[1-hydroxy-1-phosphono-2-(pyridin-2-yl)ethyl]phosphonic acid"	""	"NE 58018|NE-58018"	"OP(=O)(C(P(=O)(O)O)(Cc1ccccn1)O)O"	"XXNASZAYANFLID-UHFFFAOYSA-N"	"InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-3-1-2-4-8-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)"	""	""	""
"3154"	"NE58027"	""	"Synthetic organic"	""	""	""	""	"135650701"	"14231197"	""	""	"CHEMBL259729"	""	""	""	""	"[1-hydroxy-1-phosphono-2-(piperidin-2-yl)ethyl]phosphonic acid"	""	"NE 58027"	"OP(=O)(C(P(=O)(O)O)(CC1CCCCN1)O)O"	"GKUBJNUBGKBXKR-UHFFFAOYSA-N"	"InChI=1S/C7H17NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-3-1-2-4-8-6/h6,8-9H,1-5H2,(H2,10,11,12)(H2,13,14,15)"	""	""	""
"3179"	"NE58043"	""	"Synthetic organic"	""	""	""	""	"135650702"	"10468166"	""	""	"CHEMBL98110"	""	""	""	""	"[1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid"	""	"NE 58043"	"OP(=O)(C(P(=O)(O)O)Cc1cccnc1)O"	"KZMOFWIRXNQJET-UHFFFAOYSA-N"	"InChI=1S/C7H11NO6P2/c9-15(10,11)7(16(12,13)14)4-6-2-1-3-8-5-6/h1-3,5,7H,4H2,(H2,9,10,11)(H2,12,13,14)"	""	""	""
"3166"	"NE58062"	""	"Synthetic organic"	""	""	""	""	"135650703"	"15230201"	""	""	"CHEMBL408608"	""	""	""	""	"{[(3-methyl-3,4,5,6-tetrahydropyridin-2-yl)amino](phosphono)methyl}phosphonic acid"	""	"NE 58062"	"CC1CCCN=C1NC(P(=O)(O)O)P(=O)(O)O"	"XUCBNFJYKWKAMN-UHFFFAOYSA-N"	"InChI=1S/C7H16N2O6P2/c1-5-3-2-4-8-6(5)9-7(16(10,11)12)17(13,14)15/h5,7H,2-4H2,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)"	""	""	""
"3171"	"NE97220"	""	"Synthetic organic"	""	""	""	""	"135650704"	"5276531"	""	""	"CHEMBL55140"	""	""	""	""	"{[(3-methylpyridin-2-yl)amino](phosphono)methyl}phosphonic acid"	""	"CGA 103586|NE 97220|Q 332"	"Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O"	"NAIJOBGUXRHQJW-UHFFFAOYSA-N"	"InChI=1S/C7H12N2O6P2/c1-5-3-2-4-8-6(5)9-7(16(10,11)12)17(13,14)15/h2-4,7H,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)"	""	""	""
"14574"	"nebaprubart"	""	"Antibody"	""	""	""	""	"530846822"	"0"	""	""	""	""	""	""	""	""	"nebaprubart"	"JJP-1212|JJP1212"	""	""	""	"yes"	""	""
"7246"	"nebivolol"	""	"Synthetic organic"	"yes"	""	""	""	"178103820"	"71301"	""	""	"CHEMBL434394"	""	""	""	""	"1-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-{[2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyethyl]amino}ethan-1-ol"	"nebivolol"	"Bystolic&reg;|R-65824|Ro-67555"	"OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O"	"KOHIRBRYDXPAMZ-UHFFFAOYSA-N"	"InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2"	""	""	""
"13666"	"nebokitug"	""	"Antibody"	""	""	""	""	"507750300"	"0"	""	""	""	""	""	""	""	""	"nebokitug"	"CM-101|CM101"	""	""	""	""	""	""
"377"	"NECA"	""	"Synthetic organic"	""	""	""	""	"135650706"	"448222"	""	""	"CHEMBL464859"	""	""	""	""	"(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide"	""	"5'-N-ethylcarboxamidoadenosine"	"CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N"	"JADDQZYHOWSFJD-FLNNQWSLSA-N"	"InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1"	""	""	""
"8090"	"necitumumab"	""	"Antibody"	"yes"	""	""	""	"249565770"	"0"	""	""	""	""	""	""	""	""	"necitumumab"	"11F8|IMC-11F8|LY3012211|Portrazza&reg;"	""	""	""	""	""	""
"9750"	"necrostatin-1"	""	"Synthetic organic"	""	""	""	""	"354702223"	"2828334"	""	""	"CHEMBL195008"	""	""	""	""	"5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one"	""	"methyl-thiohydantoin-tryptophan|MTH-DL-tryptophan|MTH-trp|nec-1|Necrostatin 1"	"S=C1NC(C(=O)N1C)Cc1c[nH]c2c1cccc2"	"TXUWMXQFNYDOEZ-UHFFFAOYSA-N"	"InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)"	"yes"	""	""
"9751"	"necrostatin-1s"	""	"Synthetic organic"	""	""	""	""	"354702224"	"643953"	""	""	"CHEMBL381230"	""	""	""	""	"5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione"	""	"7-Cl-O-Nec-1|nec-1s|necrostatin 2 racemate"	"CN1C(=O)C(NC1=O)Cc1c[nH]c2c1cccc2Cl"	"WIKGAEMMNQTUGL-UHFFFAOYSA-N"	"InChI=1S/C13H12ClN3O2/c1-17-12(18)10(16-13(17)19)5-7-6-15-11-8(7)3-2-4-9(11)14/h2-4,6,10,15H,5H2,1H3,(H,16,19)"	"yes"	""	""
"12895"	"nedizantrep"	""	"Synthetic organic"	""	""	""	""	"485206016"	"139486484"	""	""	""	""	""	""	""	"1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-2,7-dimethylpurin-6-one"	"nedizantrep"	"Example 8 [WO2019182925A1]|GDC-6599|GDC6599|RG6341"	"CC1=NC2=C(C(=O)N1CC3=NC(=NO3)[C@H]4C[C@@H](OC4)C5=CC=C(C=C5)Cl)N(C=N2)C"	"FIBJEOLUMVIRIT-DZGCQCFKSA-N"	"InChI=1S/C20H19ClN6O3/c1-11-23-19-17(26(2)10-22-19)20(28)27(11)8-16-24-18(25-30-16)13-7-15(29-9-13)12-3-5-14(21)6-4-12/h3-6,10,13,15H,7-9H2,1-2H3/t13-,15+/m0/s1"	""	""	""
"7607"	"nedocromil"	""	"Synthetic organic"	"yes"	""	""	""	"223365942"	"50294"	""	""	"CHEMBL746"	""	""	""	""	"9-ethyl-4,6-dioxo-10-propylpyrano[5,6-g]quinoline-2,8-dicarboxylic acid"	"nedocromil"	"FPL-59002|nedocromil sodium|Rapitil&reg;|Tilade&reg;"	"CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(=O)O)C(=O)O"	"RQTOOFIXOKYGAN-UHFFFAOYSA-N"	"InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)"	"yes"	""	""
"12872"	"nedometinib"	""	"Synthetic organic"	""	""	""	""	"485205993"	"146585168"	""	""	""	""	""	""	""	"2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide"	""	"Example 2 [US11161845B2]|NFX-179|NFX179"	"CN1C2=C(C=CC=N2)C(=C1NC3=C(C=C(C=C3)I)F)C(=O)NOCCO"	"SENAOZROGSYRTD-UHFFFAOYSA-N"	"InChI=1S/C17H16FIN4O3/c1-23-15-11(3-2-6-20-15)14(17(25)22-26-8-7-24)16(23)21-13-5-4-10(19)9-12(13)18/h2-6,9,21,24H,7-8H2,1H3,(H,22,25)"	""	""	""
"13615"	"nedosiran"	""	"Nucleic acid"	"yes"	""	""	""	"504705434"	"0"	""	""	"CHEMBL4594338"	""	""	""	""	""	"nedosiran"	"DCR-PHXC|NN-7022|Rivfloza&reg;"	""	""	""	""	""	""
"7247"	"nefazodone"	""	"Synthetic organic"	"yes"	""	""	""	"178103821"	"4449"	""	""	"CHEMBL623"	""	""	""	""	"1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-ethyl-4-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one"	"nefazodone"	"BMY-13754|MJ-13754-1|Nefadar&reg;"	"CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl"	"VRBKIVRKKCLPHA-UHFFFAOYSA-N"	"InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3"	""	""	""
"13234"	"neferine"	""	"Natural product"	""	""	""	""	"491300016"	"159654"	""	""	"CHEMBL455560"	""	""	""	""	"4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol"	""	"(-)-Neferine"	"CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC"	"MIBATSHDJRIUJK-ROJLCIKYSA-N"	"InChI=1S/C38H44N2O6/c1-39-15-14-27-21-36(44-5)38(23-30(27)31(39)17-24-7-10-28(42-3)11-8-24)46-34-19-25(9-12-33(34)41)18-32-29-22-37(45-6)35(43-4)20-26(29)13-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m1/s1"	""	""	""
"13213"	"nefextinib"	""	"Synthetic organic"	""	""	""	""	"491299995"	"126495573"	""	""	"CHEMBL4297470"	""	""	""	""	"7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine"	"nefextinib"	"example 31 [CN106366093A]|MAX-40279|MAX-40279-01|MAX40279"	"CC1=C(C2=NC(=NC=C2S1)NC3=CN(N=C3)C4CCNCC4)C5=C(C=C(C=C5)F)OC"	"AVIOBQFPAGEICQ-UHFFFAOYSA-N"	"InChI=1S/C22H23FN6OS/c1-13-20(17-4-3-14(23)9-18(17)30-2)21-19(31-13)11-25-22(28-21)27-15-10-26-29(12-15)16-5-7-24-8-6-16/h3-4,9-12,16,24H,5-8H2,1-2H3,(H,25,27,28)"	""	""	""
"5719"	"neflamapimod"	""	"Synthetic organic"	""	""	""	""	"178102345"	"3038525"	""	""	"CHEMBL119385"	""	""	""	""	"5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyridazino[6,1-f]pyrimidin-6-one"	"neflamapimod"	"VD-31745|VRT-031745|VX 745|VX-745"	"Fc1ccc(c(c1)F)Sc1ccc2n(n1)cnc(=O)c2c1c(Cl)cccc1Cl"	"VEPKQEUBKLEPRA-UHFFFAOYSA-N"	"InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H"	"yes"	""	""
"13214"	"neladalkib"	""	"Synthetic organic"	""	""	""	""	"491299996"	"164718816"	""	""	""	""	""	""	""	""	"neladalkib"	"compound 1 [WO2023196910]"	"CCN1C2=C(CC3=CN(N=C3C4=C(C=C(C=C4)F)[C@H](OC5=C(N=CC2=C5)N)C)C)C(=N1)Cl"	"FWZSCAQEBTVTOM-GFCCVEGCSA-N"	"InChI=1S/C23H22ClFN6O/c1-4-31-21-13-8-19(23(26)27-10-13)32-12(2)17-9-15(25)5-6-16(17)20-14(11-30(3)28-20)7-18(21)22(24)29-31/h5-6,8-12H,4,7H2,1-3H3,(H2,26,27)/t12-/m1/s1"	""	""	""
"11222"	"neladenoson"	""	"Synthetic organic"	""	""	""	""	"434122282"	"46847262"	""	""	""	""	""	""	""	"2-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-[4-(2-hydroxyethoxy)phenyl]-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile"	"neladenoson bialanate"	"BAY 1067197|BAY-1067197|BAY1067197 (amide ester prodrug)|neladenoson dalanate (deprecated INN)"	"OCCOc1ccc(cc1)c1c(C#N)c(SCc2csc(n2)c2ccc(cc2)Cl)nc(c1C#N)N1CCCC1"	"RFJKJKQQWXKVTD-UHFFFAOYSA-N"	"InChI=1S/C29H24ClN5O2S2/c30-21-7-3-20(4-8-21)28-33-22(17-38-28)18-39-29-25(16-32)26(19-5-9-23(10-6-19)37-14-13-36)24(15-31)27(34-29)35-11-1-2-12-35/h3-10,17,36H,1-2,11-14,18H2"	""	""	""
"7090"	"nelarabine"	""	"Synthetic organic"	"yes"	""	""	""	"178103668"	"3011155"	""	""	"CHEMBL1201112"	""	""	""	""	"(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(2-imino-6-methoxy-3,9-dihydro-2H-purin-9-yl)oxolane-3,4-diol"	"nelarabine"	"506U78|Arranon&reg;|Atriance&reg;"	"OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1[nH]c(=N)nc2OC"	"IXOXBSCIXZEQEQ-UHTZMRCNSA-N"	"InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1"	""	""	""
"11090"	"nelfinavir"	""	"Synthetic organic"	"yes"	""	""	""	"434122151"	"64143"	""	""	"CHEMBL1205"	""	""	""	""	"(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide"	"nelfinavir"	"AG-1343|AG1343|Viracept&reg;"	"O[C@@H]([C@@H](NC(=O)c1cccc(c1C)O)CSc1ccccc1)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C"	"QAGYKUNXZHXKMR-HKWSIXNMSA-N"	"InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1"	""	""	""
"14711"	"nelitolimod"	""	"Nucleic acid"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"nelitolimod"	"SD-101|SD101|Zorblisa"	""	""	""	"yes"	""	""
"2202"	"nelivaptan"	""	"Synthetic organic"	""	""	""	""	"135651087"	"9895468"	""	""	"CHEMBL582857"	""	""	""	""	"(2S,4R)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide"	"nelivaptan"	"SSR-149,415|SSR149415"	"COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl"	"NJXZWIIMWNEOGJ-WEWKHQNJSA-N"	"InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1"	""	""	""
"14678"	"nelremagpran"	""	"Synthetic organic"	""	""	""	""	"530846926"	"155145968"	""	""	"CHEMBL4855031"	""	""	""	""	"3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-2-fluorobenzoic acid"	"nelremagpran"	"Compound 1-55 [WO2020198537]|EP547"	"C1=CC(=C(C(=C1)C(=O)O)F)COC2=C(C=C(C=C2)C(F)(F)F)Cl"	"TWOXPNAILYKJPT-UHFFFAOYSA-N"	"InChI=1S/C15H9ClF4O3/c16-11-6-9(15(18,19)20)4-5-12(11)23-7-8-2-1-3-10(13(8)17)14(21)22/h1-6H,7H2,(H,21,22)"	"yes"	""	""
"9425"	"nemiralisib"	""	"Synthetic organic"	""	""	""	""	"328083525"	"49784002"	""	""	"CHEMBL2216859"	""	""	""	""	"2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole"	"nemiralisib"	"compound 2 [PMID: 26301626]|GSK-2269557|GSK2269557"	"CC(N1CCN(CC1)Cc1cnc(o1)c1cc(cc2c1cn[nH]2)c1cccc2c1cc[nH]2)C"	"MCIDWGZGWVSZMK-UHFFFAOYSA-N"	"InChI=1S/C26H28N6O/c1-17(2)32-10-8-31(9-11-32)16-19-14-28-26(33-19)22-12-18(13-25-23(22)15-29-30-25)20-4-3-5-24-21(20)6-7-27-24/h3-7,12-15,17,27H,8-11,16H2,1-2H3,(H,29,30)"	"yes"	""	""
"8720"	"nemolizumab"	""	"Antibody"	"yes"	""	""	""	"252827378"	"0"	""	""	""	""	""	""	""	""	"nemolizumab"	"CD14152|CIM 331|CIM331|Mitchga&reg;|Nemluvio&reg;"	""	""	""	"yes"	""	""
"983"	"nemonapride"	""	"Synthetic organic"	""	""	""	""	"135650707"	"4452"	""	""	"CHEMBL20734"	""	""	""	""	"5-chloro-2-methoxy-4-methylamino-N-[2-methyl-1-(phenylmethyl)pyrrolidin-3-yl]benzamide"	"nemonapride"	"emonapride|YM 09151-2|YM-09151-2"	"COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl"	"KRVOJOCLBAAKSJ-UHFFFAOYSA-N"	"InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)"	""	""	""
"10836"	"nemonoxacin"	""	"Synthetic organic"	"yes"	""	""	""	"405560277"	"11993740"	""	""	"CHEMBL1213456"	""	""	""	""	"7-[(3S,5S)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid"	"nemonoxacin"	"Taigexyn&reg;|TG-873870|TG873870"	"COc1c(ccc2c1n(cc(c2=O)C(=O)O)C1CC1)N1C[C@@H](C)C[C@@H](C1)N"	"AVPQPGFLVZTJOR-RYUDHWBXSA-N"	"InChI=1S/C20H25N3O4/c1-11-7-12(21)9-22(8-11)16-6-5-14-17(19(16)27-2)23(13-3-4-13)10-15(18(14)24)20(25)26/h5-6,10-13H,3-4,7-9,21H2,1-2H3,(H,25,26)/t11-,12-/m0/s1"	""	""	"yes"
"11413"	"nemtabrutinib"	""	"Synthetic organic"	""	""	""	""	"440816782"	"129045720"	""	""	""	""	""	""	""	"(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone"	"nemtabrutinib"	"ARQ-531|ARQ531|ArQule 531|MK-1026|MK1026"	"OC[C@@H]1CC[C@H](CO1)Nc1ncnc2c1c(c[nH]2)C(=O)c1ccc(cc1Cl)Oc1ccccc1"	"JSFCZQSJQXFJDS-QAPCUYQASA-N"	"InChI=1S/C25H23ClN4O4/c26-21-10-17(34-16-4-2-1-3-5-16)8-9-19(21)23(32)20-11-27-24-22(20)25(29-14-28-24)30-15-6-7-18(12-31)33-13-15/h1-5,8-11,14-15,18,31H,6-7,12-13H2,(H2,27,28,29,30)/t15-,18+/m1/s1"	""	""	""
"14486"	"NEO-811"	""	"Synthetic organic"	""	""	""	""	"528429807"	"178267434"	""	""	""	""	""	""	""	"3-{5-fluoro-6-[(4R)-4-hydroxy-3,3-dimethyl-1-{[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl}piperidin-4-yl]quinolin-3-yl}piperidine-2,6-dione"	""	"compound I-123 [WO2025097090]|NEO811"	"CC1(C)CN(CC2=CC=C(C=C2)C3=NOC=N3)CC[C@]1(O)C4=C(F)C5=C(C=C4)N=CC(=C5)C6CCC(=O)NC6=O"	"OFTSSWWYMRYXIM-LOGQOBJBSA-N"	"InChI=1S/C30H30FN5O4/c1-29(2)16-36(15-18-3-5-19(6-4-18)27-33-17-40-35-27)12-11-30(29,39)23-8-9-24-22(26(23)31)13-20(14-32-24)21-7-10-25(37)34-28(21)38/h3-6,8-9,13-14,17,21,39H,7,10-12,15-16H2,1-2H3,(H,34,37,38)/t21?,30-/m0/s1"	""	""	""
"9137"	"neoceptin-3"	""	"Synthetic organic"	""	""	""	""	"315661222"	"77461013"	""	""	""	""	""	""	""	"tert-butyl (2S)-2-[[4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl]amino]-4-phenylbutanoate"	""	""	"O=C([C@@H](NC(=O)c1ccc(c(c1)CCc1ccc(cc1)O)N)CCc1ccccc1)OC(C)(C)C"	"OACODUCFPHHCIH-SANMLTNESA-N"	"InChI=1S/C29H34N2O4/c1-29(2,3)35-28(34)26(18-12-20-7-5-4-6-8-20)31-27(33)23-14-17-25(30)22(19-23)13-9-21-10-15-24(32)16-11-21/h4-8,10-11,14-17,19,26,32H,9,12-13,18,30H2,1-3H3,(H,31,33)/t26-/m0/s1"	"yes"	""	""
"9138"	"neoceptin-4"	""	"Synthetic organic"	""	""	""	""	"315661223"	"121231399"	""	""	""	""	""	""	""	"tert-butyl (2R)-2-({4-amino-3-[(4-hydroxyphenyl)methoxy]phenyl}formamido)-4-phenylbutanoate"	""	""	"O=C([C@H](NC(=O)c1ccc(c(c1)OCc1ccc(cc1)O)N)CCc1ccccc1)OC(C)(C)C"	"NRHPXDROGIVILZ-XMMPIXPASA-N"	"InChI=1S/C28H32N2O5/c1-28(2,3)35-27(33)24(16-11-19-7-5-4-6-8-19)30-26(32)21-12-15-23(29)25(17-21)34-18-20-9-13-22(31)14-10-20/h4-10,12-15,17,24,31H,11,16,18,29H2,1-3H3,(H,30,32)/t24-/m1/s1"	"yes"	""	""
"10151"	"neolymphostin A"	""	"Synthetic organic"	""	""	""	""	"381118861"	"137321157"	""	""	""	""	""	""	""	""	""	"compound 4 [PMID: 30380865]"	"CO/C=C/C(=O)c1cc2C=Nc3c2c(n1)c(NC(=O)C(C)C)cc3N"	"OKZVXALNOKYCRL-SNAWJCMRSA-N"	"InChI=1S/C18H18N4O3/c1-9(2)18(24)22-13-7-11(19)16-15-10(8-20-16)6-12(21-17(13)15)14(23)4-5-25-3/h4-9H,19H2,1-3H3,(H,22,24)/b5-4+"	""	""	""
"709"	"neomycin"	""	"Natural product"	"yes"	""	""	""	"135652707"	"8378"	""	""	"CHEMBL184618"	""	""	""	""	"(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol"	"framycetin"	"Neo-Rx&reg;|neomycin sulfate"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O[C@H]1O[C@@H](CN)[C@H]([C@@H]([C@H]1N)O)O)O)O[C@@H]1[C@@H](O)[C@H](N)C[C@@H]([C@H]1O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1N)O)O)N"	"PGBHMTALBVVCIT-VCIWKGPPSA-N"	"InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1"	""	""	"yes"
"10962"	"neopyrrolomycin"	""	"Natural product"	""	""	""	""	"405560403"	"125512"	""	""	""	""	""	""	""	"3,4,5-trichloro-2-(2,3-dichloropyrrol-1-yl)phenol"	""	""	"Clc1c(Cl)cc(c(c1Cl)n1ccc(c1Cl)Cl)O"	"VQUHAXJBUPCVDX-UHFFFAOYSA-N"	"InChI=1S/C10H4Cl5NO/c11-4-1-2-16(10(4)15)9-6(17)3-5(12)7(13)8(9)14/h1-3,17H"	""	""	"yes"
"13514"	"neorauflavane"	""	"Natural product"	""	""	""	""	"500839924"	"101643011"	""	""	"CHEMBL3747057"	""	""	""	""	"4-[(7R)-5-methoxy-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol"	""	""	"CC1(C=CC2=C(O1)C=C3C(=C2OC)C[C@@H](CO3)C4=C(C=C(C=C4)O)O)C"	"FLKVRTIAGSMQLN-LBPRGKRZSA-N"	"InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1"	""	""	""
"8993"	"neostigmine"	""	"Synthetic organic"	"yes"	""	""	""	"310264771"	"4456"	""	""	"CHEMBL278020"	""	""	""	""	"[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium"	"neostigmine bromide"	"Prostigmin&reg;"	"O=C(N(C)C)Oc1cccc(c1)[N+](C)(C)C"	"ALWKGYPQUAPLQC-UHFFFAOYSA-N"	"InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1"	""	""	""
"2123"	"nepadutant"	""	"Peptide"	""	""	""	""	"135652323"	"3086682"	""	""	""	""	""	""	""	"(2S)-2-[[(3S,6S,9S,12S)-12-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-amino-4-oxobutanoyl]amino]-9-(1H-indol-3-ylmethyl)-5,8,11,14-tetraoxo-6-(phenylmethyl)1,4,7,10-tetrazacyclotetradecane-3-carbonyl]amino]-4-methylpentanoic acid"	"nepadutant"	"LS-55819|MEN 11420|MEN-11420|MEN11420"	"OC[C@H]1O[C@@H](NC(=O)C[C@@H](C(=O)N[C@H]2CC(=O)NC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)Cc2c[nH]c3c2cccc3)Cc2ccccc2)C(=O)N[C@H](C(=O)O)CC(C)C)N)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C"	"NPSVXOVMLVOMDD-SXRVEDALSA-N"	"InChI=1S/C45H60N10O14/c1-21(2)13-31(45(67)68)53-43(66)32-19-48-34(58)17-30(50-39(62)26(46)16-35(59)55-44-36(49-22(3)57)38(61)37(60)33(20-56)69-44)42(65)52-29(15-24-18-47-27-12-8-7-11-25(24)27)41(64)51-28(40(63)54-32)14-23-9-5-4-6-10-23/h4-12,18,21,26,28-33,36-38,44,47,56,60-61H,13-17,19-20,46H2,1-3H3,(H,48,58)(H,49,57)(H,50,62)(H,51,64)(H,52,65)(H,53,66)(H,54,63)(H,55,59)(H,67,68)/t26-,28-,29-,30-,31-,32-,33+,36+,37+,38+,44+/m0/s1"	""	""	""
"7564"	"nepafenac"	""	"Synthetic organic"	"yes"	""	""	""	"223365900"	"151075"	""	""	"CHEMBL1021"	""	""	""	""	"2-[2-amino-3-(benzoyl)phenyl]acetamide"	"nepafenac"	"AHR-9434|AL-6515|Nevanac&reg;"	"NC(=O)Cc1cccc(c1N)C(=O)c1ccccc1"	"QEFAQIPZVLVERP-UHFFFAOYSA-N"	"InChI=1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)"	""	""	""
"6630"	"nepicastat"	""	"Synthetic organic"	""	""	""	""	"178103243"	"9796181"	""	""	"CHEMBL1188395"	""	""	""	""	"5-(aminomethyl)-1-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3H-imidazole-2-thione"	"nepicastat"	"RS-25560-197|SYN117"	"NCc1c[nH]c(=S)n1[C@H]1CCc2c(C1)cc(cc2F)F"	"YZZVIKDAOTXDEB-JTQLQIEISA-N"	"InChI=1S/C14H15F2N3S/c15-9-3-8-4-10(1-2-12(8)13(16)5-9)19-11(6-17)7-18-14(19)20/h3,5,7,10H,1-2,4,6,17H2,(H,18,20)/t10-/m0/s1"	""	""	""
"12518"	"nerandomilast"	""	"Synthetic organic"	"yes"	""	""	""	"479821308"	"166177189"	""	""	""	""	""	""	""	"[1-[[(5R)-2-[4-(5-chloropyrimidin-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol"	""	"BI 1015550|BI-1015550|BI1015550"	"OCC1(CCC1)NC2=NC(=NC3=C2[S@](=O)CC3)N4CCC(CC4)C5=NC=C(Cl)C=N5"	"UHYCLWAANUGUMN-SSEXGKCCSA-N"	"InChI=1S/C20H25ClN6O2S/c21-14-10-22-17(23-11-14)13-2-7-27(8-3-13)19-24-15-4-9-30(29)16(15)18(25-19)26-20(12-28)5-1-6-20/h10-11,13,28H,1-9,12H2,(H,24,25,26)/t30-/m1/s1"	"yes"	""	""
"5686"	"neratinib"	""	"Synthetic organic"	"yes"	""	""	""	"178102313"	"9915743"	""	""	"CHEMBL180022"	""	""	""	""	"(2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide"	"neratinib"	"HKI 272|HKI-272|Nerlynx&reg;"	"CCOc1cc2ncc(c(c2cc1NC(=O)/C=C/CN(C)C)Nc1ccc(c(c1)Cl)OCc1ccccn1)C#N"	"JWNPDZNEKVCWMY-VQHVLOKHSA-N"	"InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+"	""	""	""
"12332"	"nerinetide"	""	"Peptide"	""	""	""	""	"479821123"	"44568939"	""	""	""	""	""	""	""	""	"nerinetide"	"NA-1|Tat-NR2B9c"	"CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N"	"XWQVQFBTSBCKLI-FKXNDIMNSA-N"	"InChI=1S/C105H188N42O30/c1-7-55(6)80(98(175)140-69(34-36-77(154)155)92(169)143-72(50-148)95(172)142-71(48-78(156)157)94(171)146-79(54(4)5)99(176)177)147-97(174)74(52-150)145-96(173)73(51-149)144-93(170)70(46-53(2)3)141-90(167)62(22-10-13-39-108)133-85(162)63(24-15-41-124-101(113)114)135-87(164)65(26-17-43-126-103(117)118)136-88(165)66(27-18-44-127-104(119)120)138-91(168)68(33-35-75(110)152)139-89(166)67(28-19-45-128-105(121)122)137-86(163)64(25-16-42-125-102(115)116)134-84(161)61(21-9-12-38-107)132-83(160)60(20-8-11-37-106)131-82(159)59(23-14-40-123-100(111)112)130-76(153)49-129-81(158)58(109)47-56-29-31-57(151)32-30-56/h29-32,53-55,58-74,79-80,148-151H,7-28,33-52,106-109H2,1-6H3,(H2,110,152)(H,129,158)(H,130,153)(H,131,159)(H,132,160)(H,133,162)(H,134,161)(H,135,164)(H,136,165)(H,137,163)(H,138,168)(H,139,166)(H,140,175)(H,141,167)(H,142,172)(H,143,169)(H,144,170)(H,145,173)(H,146,171)(H,147,174)(H,154,155)(H,156,157)(H,176,177)(H4,111,112,123)(H4,113,114,124)(H4,115,116,125)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)/t55-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,79-,80-/m0/s1"	""	""	""
"14325"	"NESS0327"	""	"Synthetic organic"	""	""	""	""	"523352117"	"10435654"	""	""	"CHEMBL376700"	""	""	""	""	""	""	"NESS 0327|NESS-0327"	"C1CCN(CC1)NC(=O)C2=NN(C3=C2CCCC4=C3C=CC(=C4)Cl)C5=C(C=C(C=C5)Cl)Cl"	"NCXBPZJQQSNIRA-UHFFFAOYSA-N"	"InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)"	""	""	""
"8457"	"nesvacumab"	""	"Antibody"	""	""	""	""	"252166667"	"0"	""	""	""	""	""	""	""	""	"nesvacumab"	"REGN-910|REGN910|SAR307746"	""	""	""	""	""	""
"9322"	"netarsudil"	""	"Synthetic organic"	"yes"	""	""	""	"318164841"	"66599893"	""	""	""	""	""	""	""	"[4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate"	"netarsudil"	"AR-11324|AR11324|ester 60 [PMID: 27072905]|Rhokiinsa&reg;|Rhopressa&reg;"	"NC[C@@H](C(=O)Nc1ccc2c(c1)ccnc2)c1ccc(cc1)COC(=O)c1ccc(cc1C)C"	"OURRXQUGYQRVML-AREMUKBSSA-N"	"InChI=1S/C28H27N3O3/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32)/t26-/m1/s1"	""	""	""
"4586"	"N-ethyl-1-deoxynojirimycin"	""	"Synthetic organic"	""	""	""	""	"178101307"	"451512"	""	""	""	""	""	""	""	"(2R,3R,4R,5S)-1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol"	""	""	"CCN1C[C@H](O)[C@H]([C@@H]([C@H]1CO)O)O"	"DAYOICKCVBMUPS-ULAWRXDQSA-N"	"InChI=1S/C8H17NO4/c1-2-9-3-6(11)8(13)7(12)5(9)4-10/h5-8,10-13H,2-4H2,1H3/t5-,6+,7-,8-/m1/s1"	""	""	""
"5335"	"N-ethylmaleimide"	""	"Synthetic organic"	""	""	""	""	"178101999"	"4362"	""	""	"CHEMBL8211"	""	""	""	""	"1-ethylpyrrole-2,5-dione"	""	""	"CCN1C(=O)C=CC1=O"	"HDFGOPSGAURCEO-UHFFFAOYSA-N"	"InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3"	""	""	""
"12159"	"netilmicin"	""	"Synthetic organic"	"yes"	""	""	""	"472319281"	"441306"	""	""	"CHEMBL1572"	""	""	""	""	"(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol"	"netilmicin"	"1-N-ethylsisomicin|Sch 20569"	"CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1[C@@H]([C@H]([C@@](CO1)(C)O)NC)O)O)O[C@@H]1[C@@H](CC=C(O1)CN)N)N"	"CIDUJQMULVCIBT-MQDUPKMGSA-N"	"InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1"	""	""	"yes"
"2707"	"netoglitazone"	""	"Synthetic organic"	""	""	""	""	"135650709"	"204109"	""	""	"CHEMBL93747"	""	""	""	""	"5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione"	"netoglitazone"	"MCC-555|MCC555|RWJ-241947"	"O=C1NC(=O)C(S1)Cc1ccc2c(c1)ccc(c2)OCc1ccccc1F"	"PKWDZWYVIHVNKS-UHFFFAOYSA-N"	"InChI=1S/C21H16FNO3S/c22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19/h1-9,11,19H,10,12H2,(H,23,24,25)"	""	""	""
"12847"	"netrin 1"	"Human"	"Peptide"	""	""	""	""	"483123395"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6607"	"netrin-G3 ligand"	"Human"	"Peptide"	""	""	""	""	"178103220"	"0"	"Q9NT99"	"ENSG00000131409"	""	""	""	""	""	""	""	"LRIG4"	""	""	""	""	""	""
"5742"	"netupitant"	""	"Synthetic organic"	"yes"	""	""	""	"178102368"	"6451149"	""	""	"CHEMBL206253"	""	""	""	""	"2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide"	"netupitant"	"Ro 67-31898/000|Ro-673189000"	"CN1CCN(CC1)c1ncc(c(c1)c1ccccc1C)N(C(=O)C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)C)C"	"WAXQNWCZJDTGBU-UHFFFAOYSA-N"	"InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3"	""	""	""
"5027"	"neuregulin-1"	"Human"	"Peptide"	""	""	""	""	"178101724"	"0"	"Q02297"	"ENSG00000157168"	""	""	""	""	""	""	""	"breast cancer cell differentiation factor p45|glial growth factor (GGF)|heregulin|Neu differentiation factor (NDF)|NRG-1"	""	""	""	""	""	""
"5029"	"neuregulin-2"	"Human"	"Peptide"	""	""	""	""	"178101725"	"0"	"O14511"	"ENSG00000158458"	""	""	""	""	""	""	""	"NRG-2"	""	""	""	""	""	""
"5030"	"neuregulin-3"	"Human"	"Peptide"	""	""	""	""	"178101726"	"0"	"P56975"	"ENSG00000185737"	""	""	""	""	""	""	""	"neuregulin 3|NRG-3"	""	""	""	""	""	""
"5031"	"neuregulin-4"	"Human"	"Peptide"	""	""	""	""	"178101727"	"0"	"Q8WWG1"	"ENSG00000169752"	""	""	""	""	""	""	""	"neuregulin 4|NRG-4"	""	""	""	""	""	""
"2089"	"neurokinin A"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651810"	"5311311"	"P06767|P41539|P20366"	"ENSMUSG00000061762|ENSG00000006128"	"CHEMBL217406"	""	""	""	""	"(3S)-3-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(3H-imidazol-4-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid"	""	"NKA|substance K"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCSC)CC(C)C)C(C)C)Cc1ccccc1)CO)CC(=O)O)[C@H](O)C)NC(=O)[C@H](Cc1[nH]cnc1)N"	"HEAUFJZALFKPBA-JPQUDPSNSA-N"	"InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1"	""	""	""
"2090"	"neurokinin B"	"Human, Mouse, Rat, Pig"	"Peptide"	""	""	""	""	"135651811"	"5311312"	"P67934|P08435|P55099|Q9UHF0"	"ENSG00000166863|ENSSSCG00000000418|ENSMUSG00000025400"	"CHEMBL437797"	""	""	""	""	"(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid"	""	"neurokinin &beta;|neuromedin K"	"CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCSC)CC(C)C)C(C)C)Cc1ccccc1)Cc1ccccc1)CC(=O)O)Cc1[nH]cnc1)NC(=O)[C@H](CC(=O)O)N"	"NHXYSAFTNPANFK-HDMCBQFHSA-N"	"InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1"	""	""	""
"12818"	"neuroligin 1"	"Human"	"Peptide"	""	""	""	""	"483123366"	"0"	"Q8N2Q7"	"ENSG00000169760"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"613"	"neuromedin B"	"Human, Mouse, Rat, Pig"	"Peptide"	""	""	""	""	"135651812"	"4345957"	"P08949|Q9CR53|P01297"	"ENSG00000197696|ENSMUSG00000025723"	""	""	""	""	""	"2-[(2-aminoacetyl)amino]-N-[1-[[1-[[1-[[1-[[2-[[1-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]butanediamide"	""	"NMB"	"CSCCC(C(=O)N)NC(=O)C(NC(=O)C(Cc1[nH]cnc1)NC(=O)CNC(=O)C(C(O)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)CN)CC(=O)N)CC(C)C)C)Cc1ccccc1"	"YPFNACALNKVZNK-UHFFFAOYSA-N"	"InChI=1S/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)"	""	""	""
"6163"	"neuromedin B (1-30) (human)"	""	"Peptide"	""	""	""	""	"178102784"	"0"	""	""	""	""	""	""	""	""	""	"NMB30"	""	""	""	""	""	""
"6178"	"neuromedin C"	"Human"	"Peptide"	""	""	""	""	"178102799"	"0"	""	""	""	""	""	""	""	""	""	"NMC"	""	""	""	""	""	""
"3625"	"neuromedin N"	"Human"	"Peptide"	""	""	""	""	"135651814"	"0"	"P30990"	"ENSG00000133636"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1578"	"neuromedin N"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651813"	"9940301"	"Q9D3P9|P20068"	"ENSMUSG00000019890"	""	""	""	""	""	""	""	"NN"	""	""	""	""	""	""
"1468"	"neuromedin S-33"	"Human"	"Peptide"	""	""	""	""	"135651819"	"0"	"Q5H8A3"	"ENSG00000204640"	""	""	""	""	""	""	""	"NMS|NMS-33|NmS-33"	""	""	""	""	""	""
"3615"	"neuromedin S-36"	"Rat"	"Peptide"	""	""	""	""	"135651818"	"0"	"Q5H8A2"	"ENSRNOG00000038979"	""	""	""	""	""	""	""	"NMS-36|NmS-36"	""	""	""	""	""	""
"3614"	"neuromedin S-36"	"Mouse"	"Peptide"	""	""	""	""	"135651817"	"0"	"Q5H8A1"	"ENSMUSG00000067604"	""	""	""	""	""	""	""	"NMS-36|NmS-36"	""	""	""	""	""	""
"1469"	"neuromedin U-23"	"Rat"	"Peptide"	""	""	""	""	"135651820"	"0"	"P12760"	"ENSRNOG00000002164"	""	""	""	""	""	""	""	"NMU-23|NmU-23"	""	""	""	""	""	""
"3613"	"neuromedin U-23"	"Mouse"	"Peptide"	""	""	""	""	"178100537"	"0"	"Q9QXK8"	"ENSMUSG00000029236"	""	""	""	""	""	""	""	"mouse neuromedin U|NMU-23|NmU-23"	""	""	""	""	""	""
"1471"	"neuromedin U-25"	"Pig"	"Peptide"	""	""	""	""	"135652329"	"0"	"P34964"	""	""	""	""	""	""	""	""	"NmU-25|porcine neuromedin U-25"	""	""	""	""	""	""
"1470"	"neuromedin U-25"	"Human"	"Peptide"	""	""	""	""	"135651821"	"0"	"P48645"	"ENSG00000109255"	""	""	""	""	""	""	""	"human neuromedin U-25|NMU-25|NmU-25"	""	""	""	""	""	""
"1473"	"neuromedin U-8"	"Pig"	"Peptide"	""	""	""	""	"135652330"	"10148412"	"P34964"	""	""	""	""	""	""	""	""	"NMU-8|NmU-8|porcine neuromedin U-8"	"CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O"	"YUTFGQVEVLPRJQ-AQJXLSMYSA-N"	"InChI=1S/C54H77N15O11/c1-31(2)26-39(66-49(76)40(28-32-12-5-3-6-13-32)65-45(72)36(55)27-34-19-21-35(70)22-20-34)47(74)67-41(29-33-14-7-4-8-15-33)48(75)64-38(17-10-24-62-54(59)60)51(78)69-25-11-18-43(69)50(77)63-37(16-9-23-61-53(57)58)46(73)68-42(52(79)80)30-44(56)71/h3-8,12-15,19-22,31,36-43,70H,9-11,16-18,23-30,55H2,1-2H3,(H2,56,71)(H,63,77)(H,64,75)(H,65,72)(H,66,76)(H,67,74)(H,68,73)(H,79,80)(H4,57,58,61)(H4,59,60,62)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1"	""	""	""
"1472"	"neuromedin U-8"	"Dog"	"Peptide"	""	""	""	""	"135652331"	"155817412"	"P34962"	""	""	""	""	""	""	""	""	"canine neuromedin U-8|NmU-8"	"CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O"	"MFJNGGFDZMCRBN-QSVFAHTRSA-N"	"InChI=1S/C50H76N16O11/c1-28(2)24-34(63-45(73)35(25-29-12-5-3-6-13-29)62-41(69)31(51)19-20-39(52)67)43(71)64-36(26-30-14-7-4-8-15-30)44(72)61-33(17-10-22-59-50(56)57)47(75)66-23-11-18-38(66)46(74)60-32(16-9-21-58-49(54)55)42(70)65-37(48(76)77)27-40(53)68/h3-8,12-15,28,31-38H,9-11,16-27,51H2,1-2H3,(H2,52,67)(H2,53,68)(H,60,74)(H,61,72)(H,62,69)(H,63,73)(H,64,71)(H,65,70)(H,76,77)(H4,54,55,58)(H4,56,57,59)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1"	""	""	""
"5654"	"neuronostatin"	"Human, Pig"	"Peptide"	""	""	""	""	"178102282"	"155817477"	"P61278"	"ENSG00000157005"	""	""	""	""	""	""	""	"neuronostatin-13"	"CC(C)C[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O"	"QMXYKUFZQPEQES-UZSBMYCGSA-N"	"InChI=1S/C64H109N19O17/c1-32(2)27-40(66)54(90)76-42(20-16-26-71-64(69)70)55(91)78-44(22-24-50(68)86)58(94)82-47(30-39-17-12-11-13-18-39)61(97)80-46(29-34(5)6)60(96)79-43(21-23-49(67)85)57(93)77-41(19-14-15-25-65)56(92)83-48(31-84)62(98)81-45(28-33(3)4)59(95)74-37(9)52(88)72-35(7)51(87)73-36(8)53(89)75-38(10)63(99)100/h11-13,17-18,32-38,40-48,84H,14-16,19-31,65-66H2,1-10H3,(H2,67,85)(H2,68,86)(H,72,88)(H,73,87)(H,74,95)(H,75,89)(H,76,90)(H,77,93)(H,78,91)(H,79,96)(H,80,97)(H,81,98)(H,82,94)(H,83,92)(H,99,100)(H4,69,70,71)/t35-,36-,37-,38-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1"	""	""	""
"4442"	"neuropeptide AF"	"Rat"	"Peptide"	""	""	""	""	"135651826"	"0"	"Q9WVA9"	""	""	""	""	""	""	""	""	"NPAF"	""	""	""	""	""	""
"3735"	"neuropeptide AF"	"Human"	"Peptide"	""	""	""	""	"135651825"	"155817452"	"O15130"	"ENSG00000139574"	""	""	""	""	""	""	""	"NPAF"	"CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O"	"YPBGORNZMUQFSF-KWFINLGMSA-N"	"InChI=1S/C90H131N25O26/c1-45(2)34-59(104-72(122)42-100-76(127)56(28-31-73(123)124)103-71(121)41-99-74(125)47(5)91)81(132)111-63(39-70(94)120)84(135)114-65(43-116)85(136)106-57(26-29-68(92)118)79(130)109-61(36-50-18-10-8-11-19-50)82(133)110-62(38-52-40-98-54-23-15-14-22-53(52)54)83(134)113-66(44-117)86(137)108-60(35-46(3)4)80(131)101-48(6)75(126)102-49(7)88(139)115-33-17-25-67(115)87(138)107-58(27-30-69(93)119)78(129)105-55(24-16-32-97-90(95)96)77(128)112-64(89(140)141)37-51-20-12-9-13-21-51/h8-15,18-23,40,45-49,55-67,98,116-117H,16-17,24-39,41-44,91H2,1-7H3,(H2,92,118)(H2,93,119)(H2,94,120)(H,99,125)(H,100,127)(H,101,131)(H,102,126)(H,103,121)(H,104,122)(H,105,129)(H,106,136)(H,107,138)(H,108,137)(H,109,130)(H,110,133)(H,111,132)(H,112,128)(H,113,134)(H,114,135)(H,123,124)(H,140,141)(H4,95,96,97)/t47-,48-,49-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1"	""	""	""
"4443"	"neuropeptide AF"	"Mouse"	"Peptide"	""	""	""	""	"135651824"	"0"	"Q9WVA8"	"ENSMUSG00000023052"	""	""	""	""	""	""	""	"NPAF"	""	""	""	""	""	""
"1501"	"neuropeptide B-23"	"Human"	"Peptide"	""	""	""	""	"135651827"	"0"	"Q8NG41"	"ENSG00000183979"	""	""	""	""	""	""	""	"NPB-23"	""	""	""	""	""	""
"3628"	"neuropeptide B-23"	"Mouse"	"Peptide"	""	""	""	""	"135651829"	"0"	"Q8K4P1"	"ENSMUSG00000044034"	""	""	""	""	""	""	""	"NPB-23"	""	""	""	""	""	""
"3629"	"neuropeptide B-23"	"Rat"	"Peptide"	""	""	""	""	"135651828"	"0"	"Q8K4P2"	"ENSRNOG00000036686"	""	""	""	""	""	""	""	"NPB-23"	""	""	""	""	""	""
"3630"	"neuropeptide B-29"	"Mouse"	"Peptide"	""	""	""	""	"135651832"	"0"	"Q8K4P1"	"ENSMUSG00000044034"	""	""	""	""	""	""	""	"NPB-29"	""	""	""	""	""	""
"3631"	"neuropeptide B-29"	"Rat"	"Peptide"	""	""	""	""	"135651830"	"0"	"Q8K4P2"	"ENSRNOG00000036686"	""	""	""	""	""	""	""	"NPB-29"	""	""	""	""	""	""
"1502"	"neuropeptide B-29"	"Human"	"Peptide"	""	""	""	""	"135651831"	"0"	"Q8NG41"	"ENSG00000183979"	""	""	""	""	""	""	""	"NPB-29"	""	""	""	""	""	""
"5374"	"neuropeptide EI"	"Human"	"Peptide"	""	""	""	""	"178102033"	"0"	"P20382"	"ENSG00000183395"	""	""	""	""	""	""	""	"NEI|neuropeptide E-I|neuropeptide-glutamic acid-isoleucine"	""	""	""	""	""	""
"1479"	"neuropeptide FF"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651833"	"123797"	"Q9WVA8|O15130|Q9WVA9"	"ENSG00000139574|ENSMUSG00000023052"	"CHEMBL429731"	""	""	""	""	""	""	"NPFF"	""	""	""	""	""	""
"3667"	"neuropeptide &gamma;"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"178100561"	"16132172"	"P06767|P20366|P41539"	"ENSG00000006128|ENSMUSG00000061762"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5375"	"neuropeptide GE"	"Human"	"Peptide"	""	""	""	""	"178102034"	"0"	"P20382"	"ENSG00000183395"	""	""	""	""	""	""	""	"neuropeptide G-E|neuropeptide-glycine-glutamic acid|NGE"	""	""	""	""	""	""
"2496"	"neuropeptide head activator"	""	"Peptide"	""	""	""	""	"135652325"	"0"	""	""	""	""	""	""	""	""	""	"HA"	""	""	""	""	""	""
"2091"	"neuropeptide K"	"Human, Rat"	"Peptide"	""	""	""	""	"135651815"	"0"	"P20366|P06767"	"ENSG00000006128"	""	""	""	""	""	""	""	"NP-K"	""	""	""	""	""	""
"1491"	"neuropeptide S"	"Mouse"	"Peptide"	""	""	""	""	"135651834"	"0"	"P0C0P8"	"ENSMUSG00000073804"	""	""	""	""	""	""	""	"mouse neuropeptide S|NPS"	""	""	""	""	""	""
"1492"	"neuropeptide S"	"Rat"	"Peptide"	""	""	""	""	"135651835"	"0"	"P0C0P7"	"ENSRNOG00000036653"	""	""	""	""	""	""	""	"NPS|rat neuropeptide S"	""	""	""	""	""	""
"1490"	"neuropeptide S"	"Human"	"Peptide"	""	""	""	""	"135651836"	"0"	"P0C0P6"	"ENSG00000214285"	""	""	""	""	""	""	""	"NPS"	""	""	""	""	""	""
"4445"	"neuropeptide SF"	"Rat"	"Peptide"	""	""	""	""	"178101201"	"0"	"Q9WVA9"	""	""	""	""	""	""	""	""	"NPSF"	""	""	""	""	""	""
"3736"	"neuropeptide SF"	"Human"	"Peptide"	""	""	""	""	"135651837"	"0"	"O15130"	"ENSG00000139574"	""	""	""	""	""	""	""	"NPSF"	""	""	""	""	""	""
"4444"	"neuropeptide SF"	"Mouse"	"Peptide"	""	""	""	""	"178101200"	"0"	"Q9WVA8"	"ENSMUSG00000023052"	""	""	""	""	""	""	""	"NPSF"	""	""	""	""	""	""
"1495"	"neuropeptide W-23"	"Human"	"Peptide"	""	""	""	""	"135651839"	"0"	"Q8N729"	"ENSG00000183971"	""	""	""	""	""	""	""	"NPW-23"	""	""	""	""	""	""
"3616"	"neuropeptide W-23"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651838"	"0"	"Q3V2F0|Q8K1M5"	"ENSRNOG00000012390"	""	""	""	""	""	""	""	"NPW-23"	""	""	""	""	""	""
"1496"	"neuropeptide W-30"	"Human"	"Peptide"	""	""	""	""	"135651841"	"0"	"Q8N729"	"ENSG00000183971"	""	""	""	""	""	""	""	"NPW-30"	""	""	""	""	""	""
"3620"	"neuropeptide W-30"	"Rat"	"Peptide"	""	""	""	""	"135651842"	"0"	"Q8K1M5"	"ENSRNOG00000012390"	""	""	""	""	""	""	""	"NPW-30"	""	""	""	""	""	""
"3618"	"neuropeptide W-30"	"Mouse"	"Peptide"	""	""	""	""	"135651840"	"0"	"Q3V2F0"	"ENSMUSG00000071230"	""	""	""	""	""	""	""	"NPW-30"	""	""	""	""	""	""
"1504"	"neuropeptide Y"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651843"	"44288922"	"P07808|P57774|P01303"	"ENSMUSG00000029819|ENSRNOG00000046449|ENSG00000122585"	"CHEMBL438945"	""	""	""	""	""	""	"NPY"	"NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)[C@H](O)C)[C@H](CC)C)CC(C)C)CC(=O)N)[C@H](CC)C)Cc1ccc(cc1)O)Cc1c[nH]cn1)CCCN=C(N)N)CC(C)C)C)CO)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N)C)CCSC)CC(=O)O)CCC(=O)O)C)C)CC(=O)O)CCC(=O)O)CC(=O)N)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)N)CO"	"XKWCTHKJQNUFOQ-HRPSIEBRSA-N"	"InChI=1S/C189H285N55O57S/c1-15-93(7)148(179(295)234-128(81-140(193)254)168(284)226-123(74-92(5)6)171(287)239-149(94(8)16-2)180(296)240-150(99(13)247)181(297)222-115(31-22-67-208-189(202)203)156(272)220-117(56-59-139(192)253)161(277)218-113(29-20-65-206-187(198)199)157(273)224-121(151(195)267)76-101-38-48-107(249)49-39-101)238-172(288)126(79-104-44-54-110(252)55-45-104)229-167(283)127(80-105-86-204-90-210-105)230-159(275)114(30-21-66-207-188(200)201)219-164(280)122(73-91(3)4)225-154(270)96(10)212-173(289)133(88-245)236-166(282)125(78-103-42-52-109(251)53-43-103)228-165(281)124(77-102-40-50-108(250)51-41-102)227-158(274)112(28-19-64-205-186(196)197)216-152(268)95(9)211-155(271)119(62-72-302-14)221-169(285)130(84-146(263)264)232-162(278)118(58-61-144(259)260)217-153(269)97(11)213-176(292)136-33-24-68-241(136)182(298)98(12)214-163(279)129(83-145(261)262)231-160(276)116(57-60-143(257)258)215-142(256)87-209-175(291)135-32-23-70-243(135)185(301)132(82-141(194)255)235-170(286)131(85-147(265)266)233-177(293)138-35-26-71-244(138)184(300)120(27-17-18-63-190)223-174(290)134(89-246)237-178(294)137-34-25-69-242(137)183(299)111(191)75-100-36-46-106(248)47-37-100/h36-55,86,90-99,111-138,148-150,245-252H,15-35,56-85,87-89,190-191H2,1-14H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,271)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,268)(H,217,269)(H,218,277)(H,219,280)(H,220,272)(H,221,285)(H,222,297)(H,223,290)(H,224,273)(H,225,270)(H,226,284)(H,227,274)(H,228,281)(H,229,283)(H,230,275)(H,231,276)(H,232,278)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,148-,149-,150-/m0/s1"	""	""	""
"3627"	"neuropeptide Y-(3-36)"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651844"	"0"	"P07808|P57774|P01303"	"ENSG00000122585|ENSRNOG00000046449|ENSMUSG00000029819"	""	""	""	""	""	""	""	"NPY 3-36|NPY-(3-36)"	""	""	""	""	""	""
"1579"	"neurotensin"	"Human, Mouse, Rat, Bovine"	"Peptide"	""	""	""	""	"135651816"	"25077406"	"P20068|Q9D3P9|P30990|P01156"	"ENSBTAG00000005305|ENSG00000133636"	"CHEMBL407196"	""	""	""	""	"(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-4-carboxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid"	""	"NT"	"NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C)Cc1ccc(cc1)O)CCCN=C(N)N)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CC(=O)N"	"PCJGZPGTCUMMOT-ISULXFBGSA-N"	"InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1"	""	""	""
"7363"	"neurotensin-(8-13)"	""	"Peptide"	""	""	""	""	"178103935"	"5311318"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O"	"DQDBCHHEIKQPJD-ODKJCKIQSA-N"	"InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1"	""	""	""
"5033"	"neurotrophin-3"	"Human"	"Peptide"	""	""	""	""	"178101729"	"0"	"P20783"	"ENSG00000185652"	""	""	""	""	""	""	""	"HDNF|nerve growth factor 2|neurotrophic factor|NGF-2|NT-3|NT3"	""	""	""	""	""	""
"5034"	"neurotrophin-4"	"Human"	"Peptide"	""	""	""	""	"178101730"	"0"	"P34130"	"ENSG00000225950"	""	""	""	""	""	""	""	"neurotrophin-5|NT-4|NT-5"	""	""	""	""	""	""
"11160"	"neurounina-1"	""	"Synthetic organic"	""	""	""	""	"434122220"	"57340968"	""	""	""	""	""	""	""	"7-nitro-5-phenyl-1-(pyrrolidin-1-ylmethyl)-3H-1,4-benzodiazepin-2-one"	""	""	"O=C1CN=C(c2c(N1CN1CCCC1)ccc(c2)[N+](=O)[O-])c1ccccc1"	"CUVPPONHRDLGFB-UHFFFAOYSA-N"	"InChI=1S/C20H20N4O3/c25-19-13-21-20(15-6-2-1-3-7-15)17-12-16(24(26)27)8-9-18(17)23(19)14-22-10-4-5-11-22/h1-3,6-9,12H,4-5,10-11,13-14H2"	""	""	""
"5032"	"neurturin"	"Human"	"Peptide"	""	""	""	""	"178101728"	"0"	"Q99748"	"ENSG00000171119"	""	""	""	""	""	""	""	"NRTN"	""	""	""	""	""	""
"12676"	"nevirapine"	""	"Synthetic organic"	"yes"	""	""	""	"483123224"	"4463"	""	""	"CHEMBL57"	""	""	""	""	"4-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one"	"nevirapine"	"BI-RG-587|BIRG-587|BIRG587|NVP|Viramune&reg;"	"CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4"	"NQDJXKOVJZTUJA-UHFFFAOYSA-N"	"InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)"	""	""	""
"9419"	"Nexinhib20"	""	"Synthetic organic"	""	""	""	""	"328083519"	"5715188"	""	""	"CHEMBL1459140"	""	""	""	""	"(Z)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one"	""	""	"O=C(C(C)(C)C)/C(=C/c1cccc(c1)[N+](=O)[O-])/n1cncn1"	"VKSOIYNNOFGGES-JYRVWZFOSA-N"	"InChI=1S/C15H16N4O3/c1-15(2,3)14(20)13(18-10-16-9-17-18)8-11-5-4-6-12(7-11)19(21)22/h4-10H,1-3H3/b13-8-"	"yes"	""	""
"7504"	"nexturastat A"	""	"Synthetic organic"	""	""	""	""	"187051806"	"71462653"	""	""	"CHEMBL2179618"	""	""	""	""	"4-{[butyl(phenylcarbamoyl)amino]methyl}-N-hydroxybenzamide"	""	"S7473"	"CCCCN(C(=O)Nc1ccccc1)Cc1ccc(cc1)C(=O)NO"	"JZWXMCPARMXZQV-UHFFFAOYSA-N"	"InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)"	""	""	""
"11304"	"nezulcitinib"	""	"Synthetic organic"	""	""	""	""	"434321739"	"146421275"	""	""	""	""	""	""	""	"[3-(dimethylamino)azetidin-1-yl]-[(6S)-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone"	"nezulcitinib"	"example 1 [WO2020051105A1]"	"CCc1cc(O)ccc1c1ccc2c(c1)[nH]nc2c1nc2c([nH]1)C[C@H](N(C2)C(C)C)C(=O)N1CC(C1)N(C)C"	"VQIIUJSNIKEMCK-MHZLTWQESA-N"	"InChI=1S/C30H37N7O2/c1-6-18-11-21(38)8-10-22(18)19-7-9-23-24(12-19)33-34-28(23)29-31-25-13-27(37(17(2)3)16-26(25)32-29)30(39)36-14-20(15-36)35(4)5/h7-12,17,20,27,38H,6,13-16H2,1-5H3,(H,31,32)(H,33,34)/t27-/m0/s1"	"yes"	""	""
"4266"	"NF023"	""	"Synthetic organic"	""	""	""	""	"178101083"	"4465"	""	""	""	""	""	""	""	"1,3,5-trisodium 8-{[3-({[3-({4,6,8-tris[(sodiooxy)sulfonyl]naphthalen-1-yl}carbamoyl)phenyl]carbamoyl}amino)benzene]amido}naphthalene-1,3,5-trisulfonate"	""	"NF-023"	"[Na]OS(=O)(=O)c1cc(cc2c1c(ccc2S(=O)(=O)O[Na])NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na]"	"FMQURVHYTBGYSQ-UHFFFAOYSA-H"	"InChI=1S/C35H26N4O21S6.6Na/c40-33(38-25-7-9-27(63(49,50)51)23-13-21(61(43,44)45)15-29(31(23)25)65(55,56)57)17-3-1-5-19(11-17)36-35(42)37-20-6-2-4-18(12-20)34(41)39-26-8-10-28(64(52,53)54)24-14-22(62(46,47)48)16-30(32(24)26)66(58,59)60;;;;;;/h1-16H,(H,38,40)(H,39,41)(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;;;/q;6*+1/p-6"	""	""	""
"1761"	"NF157"	""	"Synthetic organic"	""	""	""	""	"135650710"	"11636757"	""	""	"CHEMBL1207514"	""	""	""	""	"8-[[4-fluoro-3-[[3-[[3-[[2-fluoro-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid"	""	"NF-157"	"O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O"	"UDVIAMRWOLIUAE-UHFFFAOYSA-N"	"InChI=1S/C49H34F2N6O23S6/c50-33-9-7-25(47(60)54-35-11-13-39(83(69,70)71)31-19-29(81(63,64)65)21-41(43(31)35)85(75,76)77)17-37(33)56-45(58)23-3-1-5-27(15-23)52-49(62)53-28-6-2-4-24(16-28)46(59)57-38-18-26(8-10-34(38)51)48(61)55-36-12-14-40(84(72,73)74)32-20-30(82(66,67)68)22-42(44(32)36)86(78,79)80/h1-22H,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)"	""	""	""
"11230"	"NF279"	""	"Synthetic organic"	""	""	""	""	"434122290"	"4468"	""	""	""	""	""	""	""	"8-[[4-[[4-[[4-[[4-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid"	""	""	"O=C(Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O"	"VNPQLQQGQYADEZ-UHFFFAOYSA-N"	"InChI=1S/C49H36N6O23S6/c56-45(50-29-9-1-27(2-10-29)47(58)54-37-17-19-39(81(67,68)69)35-21-33(79(61,62)63)23-41(43(35)37)83(73,74)75)25-5-13-31(14-6-25)52-49(60)53-32-15-7-26(8-16-32)46(57)51-30-11-3-28(4-12-30)48(59)55-38-18-20-40(82(70,71)72)36-22-34(80(64,65)66)24-42(44(36)38)84(76,77)78/h1-24H,(H,50,56)(H,51,57)(H,54,58)(H,55,59)(H2,52,53,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)"	""	""	""
"1762"	"NF340"	""	"Synthetic organic"	""	""	""	""	"135650711"	"73755007"	""	""	""	""	""	""	""	"tetrasodium;4-[[3-[[5-[(3,7-disulfonatonaphthalen-1-yl)carbamoyl]-2-methylphenyl]carbamoylamino]-4-methylbenzoyl]amino]naphthalene-2,6-disulfonate"	""	"NF 340|NF-340"	"[Na]OS(=O)(=O)c1cc(NC(=O)c2ccc(c(c2)NC(=O)Nc2cc(ccc2C)C(=O)Nc2cc(cc3c2cc(cc3)S(=O)(=O)O[Na])S(=O)(=O)O[Na])C)c2c(c1)ccc(c2)S(=O)(=O)O[Na]"	"SJMHXBFWMZYDBY-UHFFFAOYSA-J"	"InChI=1S/C37H30N4O15S4.4Na/c1-19-3-5-23(35(42)38-33-17-27(59(51,52)53)11-21-7-9-25(15-29(21)33)57(45,46)47)13-31(19)40-37(44)41-32-14-24(6-4-20(32)2)36(43)39-34-18-28(60(54,55)56)12-22-8-10-26(16-30(22)34)58(48,49)50;;;;/h3-18H,1-2H3,(H,38,42)(H,39,43)(H2,40,41,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4"	""	""	""
"4267"	"NF449"	""	"Synthetic organic"	""	""	""	""	"178101084"	"4469"	""	""	"CHEMBL1253351"	""	""	""	""	"1,3-disodium 4-{[3-({[3,5-bis({2,4-bis[(sodiooxy)sulfonyl]phenyl}carbamoyl)phenyl]carbamoyl}amino)-5-({2,4-bis[(sodiooxy)sulfonyl]phenyl}carbamoyl)benzene]amido}benzene-1,3-disulfonate"	""	""	"[Na]OS(=O)(=O)c1cc(ccc1NC(=O)c1cc(NC(=O)Nc2cc(cc(c2)C(=O)Nc2ccc(cc2S(=O)(=O)O[Na])S(=O)(=O)O[Na])C(=O)Nc2ccc(cc2S(=O)(=O)O[Na])S(=O)(=O)O[Na])cc(c1)C(=O)Nc1ccc(cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na]"	"KCBZSNWCUJBMHF-UHFFFAOYSA-F"	"InChI=1S/C41H32N6O29S8.8Na/c48-37(44-29-5-1-25(77(53,54)55)15-33(29)81(65,66)67)19-9-20(38(49)45-30-6-2-26(78(56,57)58)16-34(30)82(68,69)70)12-23(11-19)42-41(52)43-24-13-21(39(50)46-31-7-3-27(79(59,60)61)17-35(31)83(71,72)73)10-22(14-24)40(51)47-32-8-4-28(80(62,63)64)18-36(32)84(74,75)76;;;;;;;;/h1-18H,(H,44,48)(H,45,49)(H,46,50)(H,47,51)(H2,42,43,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;;;;/q;8*+1/p-8"	""	""	""
"4046"	"NF546"	""	"Synthetic organic"	""	""	""	""	"178100870"	"73755075"	""	""	""	""	""	""	""	"tetrasodium;[2-[[3-[[3-[[3-[[5-[[2,4-bis[[hydroxy(oxido)phosphoryl]methyl]phenyl]carbamoyl]-2-methylphenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-4-methylbenzoyl]amino]-5-[[hydroxy(oxido)phosphoryl]methyl]phenyl]methyl-hydroxyphosphinate"	""	"NF-546"	"[Na]OP(=O)(Cc1cc(ccc1NC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(cc1CP(=O)(O[Na])O)CP(=O)(O[Na])O)C)CP(=O)(O[Na])O)O"	"GSMUPMANKNAMAS-UHFFFAOYSA-J"	"InChI=1S/C47H48N6O17P4.4Na/c1-27-9-13-33(45(56)50-39-15-11-29(23-71(59,60)61)17-35(39)25-73(65,66)67)21-41(27)52-43(54)31-5-3-7-37(19-31)48-47(58)49-38-8-4-6-32(20-38)44(55)53-42-22-34(14-10-28(42)2)46(57)51-40-16-12-30(24-72(62,63)64)18-36(40)26-74(68,69)70;;;;/h3-22H,23-26H2,1-2H3,(H,50,56)(H,51,57)(H,52,54)(H,53,55)(H2,48,49,58)(H2,59,60,61)(H2,62,63,64)(H2,65,66,67)(H2,68,69,70);;;;/q;4*+1/p-4"	""	""	""
"10519"	"NF-56-EJ40"	""	"Synthetic organic"	""	""	""	""	"387065601"	"138811017"	""	""	""	""	""	""	""	""	""	""	"CN1CCN(CC1)Cc1ccc(cc1)c1cccc(c1)C(=O)Nc1ccccc1CC(=O)O"	"UTWXDNZWMQAUKL-UHFFFAOYSA-N"	"InChI=1S/C27H29N3O3/c1-29-13-15-30(16-14-29)19-20-9-11-21(12-10-20)22-6-4-7-24(17-22)27(33)28-25-8-3-2-5-23(25)18-26(31)32/h2-12,17H,13-16,18-19H2,1H3,(H,28,33)(H,31,32)"	"yes"	""	""
"9545"	"NF770"	""	"Synthetic organic"	""	""	""	""	"336446931"	"53310474"	""	""	""	""	""	""	""	"5-methoxy-3-[[3-[[3-[[3-[[5-[(8-methoxy-3,6-disulfonaphthalen-2-yl)carbamoyl]-2-methylphenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-4-methylbenzoyl]amino]naphthalene-2,7-disulfonic acid"	""	""	"COc1cc(cc2c1cc(NC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1cc3c(OC)cc(cc3cc1S(=O)(=O)O)S(=O)(=O)O)C)c(c2)S(=O)(=O)O)S(=O)(=O)O"	"OVDXRPYTXUZANY-UHFFFAOYSA-N"	"InChI=1S/C53H44N6O19S4/c1-27-11-13-31(51(62)58-43-25-39-33(21-47(43)81(71,72)73)17-37(79(65,66)67)23-45(39)77-3)19-41(27)56-49(60)29-7-5-9-35(15-29)54-53(64)55-36-10-6-8-30(16-36)50(61)57-42-20-32(14-12-28(42)2)52(63)59-44-26-40-34(22-48(44)82(74,75)76)18-38(80(68,69)70)24-46(40)78-4/h5-26H,1-4H3,(H,56,60)(H,57,61)(H,58,62)(H,59,63)(H2,54,55,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)"	""	""	""
"9546"	"NF778"	""	"Synthetic organic"	""	""	""	""	"336446932"	"126970681"	""	""	""	""	""	""	""	""	""	""	"O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1c(cc2c(c1S(=O)(=O)O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O)NC1=CC(C=CC1)C(=O)NC1=C(C)C=CC(C1)C(=O)Nc1c(cc2c(c1S(=O)(=O)O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O"	"RLZIFZVDVFDJNF-UHFFFAOYSA-N"	"InChI=1S/C51H44N6O23S6/c1-25-9-11-31(49(60)56-43-41(83(69,70)71)21-27-13-15-35(81(63,64)65)23-37(27)45(43)85(75,76)77)19-39(25)54-47(58)29-5-3-7-33(17-29)52-51(62)53-34-8-4-6-30(18-34)48(59)55-40-20-32(12-10-26(40)2)50(61)57-44-42(84(72,73)74)22-28-14-16-36(82(66,67)68)24-38(28)46(44)86(78,79)80/h3-7,9-19,21-24,30,32H,8,20H2,1-2H3,(H,54,58)(H,55,59)(H,56,60)(H,57,61)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)"	""	""	""
"6012"	"NF-kB activation inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102634"	"509554"	""	""	"CHEMBL522502"	""	""	""	""	"4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine"	""	"AG-F-89549|EVP4593"	"Nc1ccc2c(c1)c(NCCc1ccc(cc1)Oc1ccccc1)ncn2"	"IBAKVEUZKHOWNG-UHFFFAOYSA-N"	"InChI=1S/C22H20N4O/c23-17-8-11-21-20(14-17)22(26-15-25-21)24-13-12-16-6-9-19(10-7-16)27-18-4-2-1-3-5-18/h1-11,14-15H,12-13,23H2,(H,24,25,26)"	""	""	""
"10185"	"NFP"	""	"Synthetic organic"	""	""	""	""	"381118895"	"137321165"	""	""	""	""	""	""	""	"17-Cyclopropylmethyl-3,14β-dihydroxy-4,5α-epoxy-6β-[(3'-fluoro-4'-pyridyl)acetamido]morphinan"	""	"compound 1 [PMID: 30608693]"	"Oc1ccc2c3c1O[C@@H]1C43CCN([C@H](C2)[C@]4(O)CC[C@H]1NC(=O)c1ccncc1F)CC1CC1"	"JRUPWWCGTBJDNY-LNMFUWNLSA-N"	"InChI=1S/C26H28FN3O4/c27-17-12-28-9-6-16(17)24(32)29-18-5-7-26(33)20-11-15-3-4-19(31)22-21(15)25(26,23(18)34-22)8-10-30(20)13-14-1-2-14/h3-4,6,9,12,14,18,20,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t18-,20-,23+,25?,26-/m1/s1"	""	""	""
"4620"	"NFPS"	""	"Synthetic organic"	""	""	""	""	"178101338"	"5311283"	""	""	"CHEMBL26512"	""	""	""	""	"2-{[3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl](methyl)amino}acetic acid"	""	"N-[3-(4'-fluorophenyl)-3-(4'-phenylphenoxy)propyl]sarcosine"	"CN(CC(=O)O)CCC(c1ccc(cc1)F)Oc1ccc(cc1)c1ccccc1"	"FDORQEIHOKEJNX-UHFFFAOYSA-N"	"InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)"	""	""	""
"8074"	"NG-25"	""	"Synthetic organic"	""	""	""	""	"249565754"	"53340664"	""	""	""	""	""	""	""	"N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide"	""	"NG25"	"CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)Oc1ccnc2c1cc[nH]2)C"	"SMPGEBOIKULBCT-UHFFFAOYSA-N"	"InChI=1S/C29H30F3N5O2/c1-3-36-12-14-37(15-13-36)18-21-6-7-22(17-24(21)29(30,31)32)35-28(38)20-5-4-19(2)26(16-20)39-25-9-11-34-27-23(25)8-10-33-27/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,33,34)(H,35,38)"	""	""	""
"10254"	"NG29"	""	"Peptide"	""	""	""	""	"381744936"	"0"	""	""	""	""	""	""	""	""	""	"SarLys[<small>D</small>Phe<sup>8</sup>]desArg<sup>9</sup>-bradykinin"	""	""	""	""	""	""
"10255"	"NG291"	""	"Peptide"	""	""	""	""	"381744937"	"0"	""	""	""	""	""	""	""	""	""	"[Hyp<sup>3</sup>,Thi<sup>5</sup>,<sup>N</sup>Chg<sup>7</sup>,Thi<sup>8</sup>]-bradykinin"	""	""	""	""	""	""
"6674"	"NGB 2904"	""	"Synthetic organic"	""	""	""	""	"178103286"	"9891901"	""	""	"CHEMBL300780"	""	""	""	""	"N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide"	""	"NGB-2904"	"O=C(c1ccc2c(c1)Cc1c2cccc1)NCCCCN1CCN(CC1)c1cccc(c1Cl)Cl"	"YJPWVCIGSHWNON-UHFFFAOYSA-N"	"InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)"	""	""	""
"979"	"NGD 94-1"	""	"Synthetic organic"	""	""	""	""	"135650712"	"188942"	""	""	"CHEMBL103772"	""	""	""	""	"2-[4-[(2-phenyl-3H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine"	""	"NGD941"	"c1ccc(cc1)c1ncc([nH]1)CN1CCN(CC1)c1ncccn1"	"OTVQCHUIPJYASM-UHFFFAOYSA-N"	"InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)"	""	""	""
"5026"	"NGF"	"Human"	"Peptide"	"yes"	""	""	""	"178101723"	"0"	"P01138"	"ENSG00000134259"	""	""	""	""	""	""	"cenegermin"	"beta-nerve growth factor|beta-NGF|Oxervate&reg;|Sentinel&reg;"	""	""	""	""	""	""
"14338"	"NGT-201-12"	""	"Synthetic organic"	""	""	""	""	"523352130"	"177924586"	""	""	""	""	""	""	""	"3-[3-(1H-indol-5-yl)phenyl]piperidine-2,6-dione"	""	""	"O=C1CCC(C(=O)N1)C2=CC=CC(=C2)C3=CC=C4NC=CC4=C3"	"IWRHCGSRYITDIM-UHFFFAOYSA-N"	"InChI=1S/C19H16N2O2/c22-18-7-5-16(19(23)21-18)14-3-1-2-12(10-14)13-4-6-17-15(11-13)8-9-20-17/h1-4,6,8-11,16,20H,5,7H2,(H,21,22,23)"	"yes"	""	""
"2633"	"NH-3"	""	"Synthetic organic"	""	""	""	""	"135650713"	"10027822"	""	""	"CHEMBL109279"	""	""	""	""	"2-[4-[[4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-propan-2-ylphenyl]methyl]-3,5-dimethylphenoxy]acetic acid"	""	"thyromimetic, 5b"	"OC(=O)COc1cc(C)c(c(c1)C)Cc1cc(C(C)C)c(c(c1)C#Cc1ccc(cc1)[N+](=O)[O-])O"	"IXMROOKFPWGDGF-UHFFFAOYSA-N"	"InChI=1S/C28H27NO6/c1-17(2)25-14-21(15-26-18(3)11-24(12-19(26)4)35-16-27(30)31)13-22(28(25)32)8-5-20-6-9-23(10-7-20)29(33)34/h6-7,9-14,17,32H,15-16H2,1-4H3,(H,30,31)"	""	""	""
"5444"	"N-homo-&gamma;-linolenoylethanolamine"	""	"Synthetic organic"	""	""	""	""	"178102095"	"5282272"	""	""	"CHEMBL121229"	""	""	""	""	"(8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-8,11,14-trienamide"	""	"N-dihomo-&gamma; -linolenoylethanolamine"	"CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)NCCO"	"ULQWKETUACYZLI-QNEBEIHSSA-N"	"InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-"	""	""	""
"6289"	"NH<sub>4</sub>Cl"	""	"Inorganic"	""	""	""	""	"178102909"	"25517"	""	""	""	""	""	""	""	"azanium;chloride"	""	"ammonium chloride"	""	""	""	""	""	""
"10743"	"NHWD-870"	""	"Synthetic organic"	""	""	""	""	"405067335"	"137448670"	""	""	""	""	""	""	""	""	""	"NHWD870"	"Cc1nnn(c1c1cnc2c(c1)n([C@H](c1ccccc1)C1CCOCC1)c1c2c2cnn(c2cc1)C)C"	"BBKUPPVLTRGWDN-GDLZYMKVSA-N"	"InChI=1S/C29H29N7O/c1-18-28(35(3)33-32-18)21-15-25-27(30-16-21)26-22-17-31-34(2)23(22)9-10-24(26)36(25)29(19-7-5-4-6-8-19)20-11-13-37-14-12-20/h4-10,15-17,20,29H,11-14H2,1-3H3/t29-/m1/s1"	""	""	""
"8573"	"NI-57"	""	"Synthetic organic"	""	""	""	""	"252166774"	"91827373"	""	""	""	""	""	""	""	"4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide"	""	""	"COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(c(=O)n2C)C"	"UEMQPCYDWCSVCU-UHFFFAOYSA-N"	"InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3"	""	""	""
"6997"	"NIBR-0213"	""	"Synthetic organic"	""	""	""	""	"178103576"	"59393720"	""	""	"CHEMBL3086703"	""	""	""	""	"(2S)-2-[[4-[3-[[(1R)-1-(4-chloro-3-methylphenyl)ethyl]amino]phenyl]-2,6-dimethylbenzoyl]amino]propanoic acid"	""	""	"OC(=O)[C@@H](NC(=O)c1c(C)cc(cc1C)c1cccc(c1)N[C@@H](c1ccc(c(c1)C)Cl)C)C"	"KYHUARFFBDLROH-MOPGFXCFSA-N"	"InChI=1S/C27H29ClN2O3/c1-15-11-20(9-10-24(15)28)18(4)29-23-8-6-7-21(14-23)22-12-16(2)25(17(3)13-22)26(31)30-19(5)27(32)33/h6-14,18-19,29H,1-5H3,(H,30,31)(H,32,33)/t18-,19+/m1/s1"	""	""	""
"13052"	"NIBR189"	""	"Synthetic organic"	""	""	""	""	"491299834"	"36295259"	""	""	"CHEMBL3262896"	""	""	""	""	"(E)-3-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]prop-2-en-1-one"	""	"compound 4m [PMID: 24678947]"	"COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)Br"	"OFHXXBRBGWUOHR-NYYWCZLTSA-N"	"InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+"	""	""	""
"13051"	"NIBR51"	""	"Synthetic organic"	""	""	""	""	"491299833"	"2726776"	""	""	""	""	""	""	""	"4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide"	""	"compound 1 [PMID: 24678947]"	"C1=CC(=CN=C1)CN(CC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl"	"AZRSDCACETWUDH-UHFFFAOYSA-N"	"InChI=1S/C19H15Cl3N2O2S/c20-16-5-7-18(8-6-16)27(25,26)24(12-14-2-1-9-23-11-14)13-15-3-4-17(21)10-19(15)22/h1-11H,12-13H2"	""	""	""
"13184"	"nibrozetone"	""	"Synthetic organic"	""	""	""	""	"491299966"	"15950826"	""	""	"CHEMBL3526802"	""	""	""	""	"2-bromo-1-(3,3-dinitroazetidin-1-yl)ethanone"	"nibrozetone"	"ABDNAZ|RRx-001|RRx001"	"BrCC(N1CC([N+]([O-])=O)([N+]([O-])=O)C1)=O"	"JODKFOVZURLVTG-UHFFFAOYSA-N"	"InChI=1S/C5H6BrN3O5/c6-1-4(10)7-2-5(3-7,8(11)12)9(13)14/h1-3H2"	"yes"	""	""
"12174"	"NIC-0102"	""	"Synthetic organic"	""	""	""	""	"472319296"	"164946740"	""	""	""	""	""	""	""	""	""	"compound 27 [PMID: 36063115]"	"OB([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)cccc1F)O"	"QTRFWSIBLJYXFJ-ROUUACIJSA-N"	"InChI=1S/C21H25BF2N2O4/c1-13(2)11-18(22(29)30)26-20(27)17(12-14-7-4-3-5-8-14)25-21(28)19-15(23)9-6-10-16(19)24/h3-10,13,17-18,29-30H,11-12H2,1-2H3,(H,25,28)(H,26,27)/t17-,18-/m0/s1"	""	""	""
"2559"	"nicardipine"	""	"Synthetic organic"	"yes"	""	""	""	"135650714"	"4474"	""	""	"CHEMBL1484"	""	""	""	""	"O5-methyl O3-[2-(methyl-(phenylmethyl)amino)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"nicardipine"	"(R,S)-nicardipine|Cardene&reg;"	"COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C"	"ZBBHBTPTTSWHBA-UHFFFAOYSA-N"	"InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3"	""	""	""
"8494"	"niclosamide"	""	"Synthetic organic"	"yes"	""	""	""	"252166702"	"4477"	""	""	""	""	""	""	""	"5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide"	""	"VU0243604"	"Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O"	"RJMUSRYZPJIFPJ-UHFFFAOYSA-N"	"InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)"	""	""	"yes"
"2411"	"nicorandil"	""	"Synthetic organic"	"yes"	""	""	""	"135650715"	"47528"	""	""	"CHEMBL284906"	""	""	""	""	"2-(pyridine-3-carbonylamino)ethyl nitrate"	"nicorandil"	"Ikorel&reg;|SG-75"	"[O-][N+](=O)OCCNC(=O)c1cccnc1"	"LBHIOVVIQHSOQN-UHFFFAOYSA-N"	"InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)"	""	""	""
"2585"	"nicotine"	""	"Natural product"	"yes"	""	""	""	"53801040"	"89594"	""	""	"CHEMBL3"	""	""	""	""	"3-[(2S)-1-methylpyrrolidin-2-yl]pyridine"	""	"Nicorette&reg;|Nicotrol&reg;"	"CN1CCC[C@H]1c1cccnc1"	"SNICXCGAKADSCV-JTQLQIEISA-N"	"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1"	""	""	""
"1588"	"nicotinic acid"	""	"Metabolite"	""	""	""	""	"135651525"	"938"	""	""	"CHEMBL573"	""	""	""	""	"Pyridine-3-carboxylic acid"	"nicotinic acid"	"niacin|nicotinate|vitamin B<sub>3</sub>|vitamin PP"	"OC(=O)c1cccnc1"	"PVNIIMVLHYAWGP-UHFFFAOYSA-N"	"InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)"	""	""	""
"10655"	"nidufexor"	""	"Synthetic organic"	""	""	""	""	"404859102"	"118063735"	""	""	""	""	""	""	""	"4-[[benzyl-(8-chloro-1-methyl-4H-chromeno[4,3-c]pyrazole-3-carbonyl)amino]methyl]benzoic acid"	"nidufexor"	"compound 1 [PMID: 31940200]|LMB-763|LMB763"	"Clc1ccc2c(c1)c1n(C)nc(c1CO2)C(=O)N(Cc1ccc(cc1)C(=O)O)Cc1ccccc1"	"JYTIXGYXBIBOMN-UHFFFAOYSA-N"	"InChI=1S/C27H22ClN3O4/c1-30-25-21-13-20(28)11-12-23(21)35-16-22(25)24(29-30)26(32)31(14-17-5-3-2-4-6-17)15-18-7-9-19(10-8-18)27(33)34/h2-13H,14-16H2,1H3,(H,33,34)"	""	""	""
"2514"	"nifedipine"	""	"Synthetic organic"	"yes"	""	""	""	"53801065"	"4485"	""	""	"CHEMBL193"	""	""	""	""	"dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"nifedipine"	"Adalat&reg;|BAY-A-1040|Procardia&reg;"	"COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C"	"HYIMSNHJOBLJNT-UHFFFAOYSA-N"	"InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3"	""	""	""
"2439"	"niflumic acid"	""	"Synthetic organic"	"yes"	""	""	""	"135650716"	"4488"	""	""	"CHEMBL63323"	""	""	""	""	"2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid"	"niflumic acid"	""	"OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F"	"JZFPYUNJRRFVQU-UHFFFAOYSA-N"	"InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)"	"yes"	""	""
"12348"	"nifuratel"	""	"Synthetic organic"	"yes"	""	""	""	"479821139"	"6433427"	""	""	"CHEMBL514315"	""	""	""	""	"5-(methylsulfanylmethyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one"	"nifuratel"	"Macmiror&reg;|Magmilor&reg;|methylmercadone"	"CSCC1CN(C(=O)O1)/N=C/c1ccc(o1)[N+](=O)[O-]"	"SRQKTCXJCCHINN-NYYWCZLTSA-N"	"InChI=1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+"	""	""	"yes"
"12358"	"nifuroxazide"	""	"Synthetic organic"	"yes"	""	""	""	"479821149"	"5337997"	""	""	"CHEMBL244888"	""	""	""	""	"4-hydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide"	"nifuroxazide"	"NSC-759261|RC-27109|SJ000287313"	"c1cc(ccc1C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-])O"	"YCWSUKQGVSGXJO-NTUHNPAUSA-N"	"InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+"	""	""	"yes"
"10837"	"nifurprazine"	""	"Synthetic organic"	""	""	""	""	"405560278"	"6436113"	""	""	"CHEMBL2105219"	""	""	""	""	"6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine"	""	"carofur|HB-115|HB115"	"Nc1ccc(nn1)/C=C/c1ccc(o1)[N+](=O)[O-]"	"XDWLRMBWIWKFNC-HNQUOIGGSA-N"	"InChI=1S/C10H8N4O3/c11-9-5-2-7(12-13-9)1-3-8-4-6-10(17-8)14(15)16/h1-6H,(H2,11,13)/b3-1+"	""	""	"yes"
"12344"	"nifurquinazol"	""	"Synthetic organic"	""	""	""	""	"479821135"	"21139"	""	""	"CHEMBL2107101"	""	""	""	""	"2-[2-hydroxyethyl-[2-(5-nitrofuran-2-yl)quinazolin-4-yl]amino]ethanol"	"nifurquinazol"	"NF-1088"	"c1ccc2c(c1)c(nc(n2)c1ccc(o1)[N+](=O)[O-])N(CCO)CCO"	"AUEOHSUMWXAPBX-UHFFFAOYSA-N"	"InChI=1S/C16H16N4O5/c21-9-7-19(8-10-22)16-11-3-1-2-4-12(11)17-15(18-16)13-5-6-14(25-13)20(23)24/h1-6,21-22H,7-10H2"	""	""	"yes"
"12364"	"nifurtimox"	""	"Synthetic organic"	"yes"	""	""	""	"479821155"	"6842999"	""	""	"CHEMBL290960"	""	""	""	""	"N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine"	"nifurtimox"	"BAY 2502|BAY A2502|Bayer 2502|Lampit&reg;"	"CC1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-]"	"ARFHIAQFJWUCFH-IZZDOVSWSA-N"	"InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+"	""	""	"yes"
"12346"	"nifurtoinol"	""	"Synthetic organic"	"yes"	""	""	""	"479821137"	"9571062"	""	""	"CHEMBL1697763"	""	""	""	""	"3-(hydroxymethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione"	"nifurtoinol"	"hydroxymethylnitrofurantoin|Urfadyn PL&reg;"	"C1C(=O)N(C(=O)N1/N=C/c1ccc(o1)[N+](=O)[O-])CO"	"UIDWQGRXEVDFCA-XCVCLJGOSA-N"	"InChI=1S/C9H8N4O6/c14-5-11-7(15)4-12(9(11)16)10-3-6-1-2-8(19-6)13(17)18/h1-3,14H,4-5H2/b10-3+"	""	""	"yes"
"12365"	"nifurzide"	""	"Synthetic organic"	""	""	""	""	"479821156"	"9571044"	""	""	"CHEMBL2106530"	""	""	""	""	"5-nitro-N-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide"	"nifurzide"	"Ricridene&reg;"	"c1c(oc(c1)[N+](=O)[O-])/C=C/C=N/NC(=O)c1ccc(s1)[N+](=O)[O-]"	"IDUMOVRJNBNOTR-BIZLIJPVSA-N"	"InChI=1S/C12H8N4O6S/c17-12(9-4-6-11(23-9)16(20)21)14-13-7-1-2-8-3-5-10(22-8)15(18)19/h1-7H,(H,14,17)/b2-1+,13-7+"	""	""	"yes"
"545"	"NIHP"	""	"Synthetic organic"	""	""	""	""	"135650718"	"10587912"	""	""	""	""	""	""	""	"1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol"	""	""	"OCCCc1ccc(cc1)OCC(CNC(C)C)O"	"RUZBBQNQBDCLPE-UHFFFAOYSA-N"	"InChI=1S/C15H25NO3/c1-12(2)16-10-14(18)11-19-15-7-5-13(6-8-15)4-3-9-17/h5-8,12,14,16-18H,3-4,9-11H2,1-2H3"	""	""	""
"10500"	"NiK-21273"	""	"Synthetic organic"	""	""	""	""	"387065582"	"24889797"	""	""	""	""	""	""	""	"2-[3-[[4-(2-chloro-6-fluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide"	""	"NiK21273"	"NC(=O)Cn1c(C(=O)N2CCOCC2)c(c2c1cccc2)CN1CCC(CC1)c1c(F)cccc1Cl"	"YEDOPHDWRSVQOP-UHFFFAOYSA-N"	"InChI=1S/C27H30ClFN4O3/c28-21-5-3-6-22(29)25(21)18-8-10-31(11-9-18)16-20-19-4-1-2-7-23(19)33(17-24(30)34)26(20)27(35)32-12-14-36-15-13-32/h1-7,18H,8-17H2,(H2,30,34)"	""	""	""
"10947"	"NIK inhibitor 12f"	""	"Synthetic organic"	""	""	""	""	"405560388"	"146170996"	""	""	""	""	""	""	""	"4-(3-((7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-4-morpholinophenyl)-2-(thiazol-2-yl)but-3-yn-2-ol"	""	""	"CC(c1nccs1)(C#Cc1ccc(c(c1)Nc1ncnc2c1cc[nH]2)N1CCOCC1)O"	"KJMURTHIPWRIMC-UHFFFAOYSA-N"	"InChI=1S/C23H22N6O2S/c1-23(30,22-25-8-13-32-22)6-4-16-2-3-19(29-9-11-31-12-10-29)18(14-16)28-21-17-5-7-24-20(17)26-15-27-21/h2-3,5,7-8,13-15,30H,9-12H2,1H3,(H2,24,26,27,28)"	"yes"	""	""
"9964"	"NIK SMI1"	""	"Synthetic organic"	""	""	""	""	"374883851"	"117902000"	""	""	""	""	""	""	""	"6-(3-{2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl}phenyl)-4-methoxypyridine-2-carboxamide"	""	""	"COc1cc(nc(c1)c1cccc(c1)C#C[C@]1(O)CCN(C1=O)C)C(=O)N"	"LQSHXYHWYGKAMX-FQEVSTJZSA-N"	"InChI=1S/C20H19N3O4/c1-23-9-8-20(26,19(23)25)7-6-13-4-3-5-14(10-13)16-11-15(27-2)12-17(22-16)18(21)24/h3-5,10-12,26H,8-9H2,1-2H3,(H2,21,24)/t20-/m0/s1"	"yes"	""	""
"5231"	"NIL"	""	"Synthetic organic"	""	""	""	""	"178101915"	"11957582"	""	""	"CHEMBL340800"	""	""	""	""	"(2R)-2-amino-6-ethanimidamidohexanoic acid"	""	"L-N<sup>6</sup>-(1-iminoethyl)lysine|N6-ethanimidoyl-D-lysine"	"CC(=N)NCCCC[C@H](C(=O)O)N"	"ONYFNWIHJBLQKE-SSDOTTSWSA-N"	"InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m1/s1"	""	""	""
"10984"	"nilofabicin"	""	"Synthetic organic"	""	""	""	""	"405560425"	"11844916"	""	""	"CHEMBL488937"	""	""	""	""	"1-[(3-amino-2-methylphenyl)methyl]-4-(2-thiophen-2-ylethoxy)pyridin-2-one"	"nilofabicin"	"CG-400549|CG400549"	"Nc1cccc(c1C)Cn1ccc(cc1=O)OCCc1cccs1"	"YCLREGRRHGLOAK-UHFFFAOYSA-N"	"InChI=1S/C19H20N2O2S/c1-14-15(4-2-6-18(14)20)13-21-9-7-16(12-19(21)22)23-10-8-17-5-3-11-24-17/h2-7,9,11-12H,8,10,13,20H2,1H3"	""	""	"yes"
"5697"	"nilotinib"	""	"Synthetic organic"	"yes"	""	""	""	"178102324"	"644241"	""	""	"CHEMBL255863"	""	""	""	""	"4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide"	"nilotinib"	"AMN 107|AMN107|Danziten&reg;|Tasigna&reg;"	"Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2cccnc2)C)cc(c1)C(F)(F)F"	"HHZIURLSWUIHRB-UHFFFAOYSA-N"	"InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)"	""	""	""
"2864"	"nilutamide"	""	"Synthetic organic"	"yes"	""	""	""	"135650719"	"4493"	""	""	"CHEMBL1274"	""	""	""	""	"5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione"	"nilutamide"	"Nilandron&reg;"	"O=C1NC(C(=O)N1c1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(C)C"	"XWXYUMMDTVBTOU-UHFFFAOYSA-N"	"InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)"	""	""	""
"10160"	"nilvadipine"	""	"Synthetic organic"	""	""	""	""	"381118870"	"4494"	""	""	"CHEMBL517427"	""	""	""	""	""	"nilvadipine"	"Escor&reg;|FR-34235|FR34235"	"COC(=O)C1=C(C#N)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC(C)C)C"	"FAIIFDPAEUKBEP-UHFFFAOYSA-N"	"InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3"	""	""	""
"14321"	"nimacimab"	""	"Antibody"	""	""	""	""	"523352113"	"0"	""	""	""	""	""	""	""	""	"nimacimab"	"JNJ 2463|JNJ-2463|RYI-018|RYI018"	""	""	""	""	""	""
"7401"	"nimesulide"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103973"	"4495"	""	""	"CHEMBL56367"	""	""	""	""	"N-[4-nitro-2-(phenoxy)phenyl]methanesulfonamide"	"nimesulide"	"R-805"	"[O-][N+](=O)c1ccc(c(c1)Oc1ccccc1)NS(=O)(=O)C"	"HYWYRSMBCFDLJT-UHFFFAOYSA-N"	"InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3"	"yes"	""	""
"2523"	"nimodipine"	""	"Synthetic organic"	"yes"	""	""	""	"53801057"	"4497"	""	""	"CHEMBL1428"	""	""	""	""	"O5-(2-methoxyethyl) O3-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"nimodipine"	"BAY-E-9736|Nimotop&reg;"	"COCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC(C)C)C"	"UIAGMCDKSXEBJQ-UHFFFAOYSA-N"	"InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3"	""	""	""
"7988"	"nimotuzumab"	""	"Antibody"	"yes"	""	""	""	"249565669"	"0"	""	""	""	""	""	""	""	""	"nimotuzumab"	"h-R3|THERACIM&reg;|Theraloc&reg;"	""	""	""	""	""	""
"12390"	"nimucitinib"	""	"Synthetic organic"	""	""	""	""	"479821181"	"167993639"	""	""	""	""	""	""	""	"4-{[(3,5-difluorophenyl)methyl]amino}-6-{[3-(piperidine-4-amido)phenyl]amino}pyridine-3-carboxamide"	""	""	"C1(CCNCC1)C(=O)Nc1cccc(Nc2ncc(C(=O)N)c(NCc3cc(F)cc(F)c3)c2)c1"	"BNBLXBPXMLDDSY-UHFFFAOYSA-N"	"InChI=1S/C25H26F2N6O2/c26-17-8-15(9-18(27)10-17)13-30-22-12-23(31-14-21(22)24(28)34)32-19-2-1-3-20(11-19)33-25(35)16-4-6-29-7-5-16/h1-3,8-12,14,16,29H,4-7,13H2,(H2,28,34)(H,33,35)(H2,30,31,32)"	""	""	""
"11624"	"ningetinib"	""	"Synthetic organic"	""	""	""	""	"442878658"	"60165029"	""	""	"CHEMBL3984441"	""	""	""	""	""	""	"CT-053|CT053|CT053PTSA|Example 1 [US9133162]"	"Fc1cc(ccc1Oc1ccnc2c1ccc(c2)OCC(O)(C)C)NC(=O)c1c(C)n(n(c1=O)c1ccccc1)C"	"VQYYQSZNRVQLIS-UHFFFAOYSA-N"	"InChI=1S/C31H29FN4O5/c1-19-28(30(38)36(35(19)4)21-8-6-5-7-9-21)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(11-12-23(25)26)40-18-31(2,3)39/h5-17,39H,18H2,1-4H3,(H,34,37)"	""	""	""
"5936"	"nintedanib"	""	"Synthetic organic"	"yes"	""	""	""	"178102559"	"135423438"	""	""	"CHEMBL502835"	""	""	""	""	"methyl (3Z)-3-[({4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl}amino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate"	"nintedanib"	"BIBF-1120|BIBF1120|Ofev&reg;|Vargatef&reg;"	"COC(=O)c1ccc2c(c1)NC(=O)/C/2=C(/c1ccccc1)\Nc1ccc(cc1)N(C(=O)CN1CCN(CC1)C)C"	"XZXHXSATPCNXJR-ZIADKAODSA-N"	"InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-"	""	""	""
"5290"	"ninvosudil"	""	"Synthetic organic"	""	""	""	""	"178101973"	"448042"	""	""	"CHEMBL559147"	""	""	""	""	"(1R,4r)-4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexane-1-carboxamide"	"ninvosudil"	"ROCK Inhibitor, Y-27632|Y-27632|Y27632"	"C[C@H]([C@@H]1CC[C@H](CC1)C(=O)Nc1ccncc1)N"	"IYOZTVGMEWJPKR-IJLUTSLNSA-N"	"InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1"	""	""	""
"546"	"NIP"	""	"Synthetic organic"	""	""	""	""	"135650720"	"3123920"	""	""	"CHEMBL7154"	""	""	""	""	"1-(phenoxy)-3-(propan-2-ylamino)propan-2-ol"	""	"<i>N</i>-isopropyl-phenoxypropanolamine"	"OC(COc1ccccc1)CNC(C)C"	"ONXLHKFGTDDVLQ-UHFFFAOYSA-N"	"InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3"	""	""	""
"2408"	"NIP-142"	""	"Synthetic organic"	""	""	""	""	"135650721"	"9980734"	""	""	"CHEMBL1671910"	""	""	""	""	"N-[(3R,4S)-4-(cyclopropylamino)-3-hydroxy-2,2-dimethyl-7-nitrochroman-6-yl]-2-(4-methoxyphenyl)acetamide"	""	""	"COc1ccc(cc1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC([C@@H]([C@H]2NC1CC1)O)(C)C"	"HWADWMAQVCHLHJ-FCHUYYIVSA-N"	"InChI=1S/C23H27N3O6/c1-23(2)22(28)21(24-14-6-7-14)16-11-17(18(26(29)30)12-19(16)32-23)25-20(27)10-13-4-8-15(31-3)9-5-13/h4-5,8-9,11-12,14,21-22,24,28H,6-7,10H2,1-3H3,(H,25,27)/t21-,22+/m0/s1"	""	""	""
"4564"	"nipecotic acid"	""	"Synthetic organic"	""	""	""	""	"178101285"	"4498"	""	""	"CHEMBL277498"	""	""	""	""	"piperidine-3-carboxylic acid"	""	""	"OC(=O)C1CCCNC1"	"XJLSEXAGTJCILF-UHFFFAOYSA-N"	"InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)"	""	""	""
"13876"	"nipocalimab"	""	"Antibody"	"yes"	""	""	""	"513757561"	"0"	""	""	""	""	""	""	""	""	"nipocalimab"	"Imaavy&reg;|M-281|M281|nipocalimab-aahu"	""	""	""	""	""	""
"8275"	"niraparib"	""	"Synthetic organic"	"yes"	""	""	""	"252166487"	"24958200"	""	""	"CHEMBL1094636"	""	""	""	""	"2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide"	"niraparib"	"Akeega&reg; (niraparib and abiraterone acetate)|compound 56 [PMID 19873981]|MK 4827|MK-4827|Zejula&reg;"	"NC(=O)c1cccc2c1nn(c2)c1ccc(cc1)[C@@H]1CCCNC1"	"PCHKPVIQAHNQLW-CQSZACIVSA-N"	"InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1"	""	""	""
"11503"	"nirmatrelvir"	""	"Synthetic organic"	"yes"	""	""	""	"441604875"	"155903259"	""	""	""	""	""	""	""	"(1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-[(2S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide"	"nirmatrelvir"	"example E61 [WO2021250648A1]|Paxlovid&reg; (nirmatrelvir + ritonavir)|PF-07321332|PF07321332"	"N#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F"	"LIENCHBZNNMNKG-OJFNHCPVSA-N"	"InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1"	""	""	""
"7746"	"nirogacestat"	""	"Synthetic organic"	"yes"	""	""	""	"223366079"	"46224413"	""	""	"CHEMBL1770916"	""	""	""	""	"(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide"	"nirogacestat"	"Ogsiveo&reg;|PF-03084014|PF3084014|Z-3181"	"CCC[C@@H](C(=O)Nc1ncn(c1)C(CNCC(C)(C)C)(C)C)N[C@H]1CCc2c(C1)c(F)cc(c2)F"	"VFCRKLWBYMDAED-REWPJTCUSA-N"	"InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1"	""	""	""
"2524"	"nisoldipine"	""	"Synthetic organic"	"yes"	""	""	""	"135650722"	"4499"	""	""	"CHEMBL1726"	""	""	""	""	"O5-methyl O3-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"nisoldipine"	"Sular&reg;"	"COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OCC(C)C)C"	"VKQFCGNPDRICFG-UHFFFAOYSA-N"	"InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3"	""	""	""
"4637"	"nisoxetine"	""	"Synthetic organic"	""	""	""	""	"178101355"	"4500"	""	""	"CHEMBL295467"	""	""	""	""	"3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine"	"nisoxetine"	""	"CNCCC(c1ccccc1)Oc1ccccc1OC"	"ITJNARMNRKSWTA-UHFFFAOYSA-N"	"InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3"	""	""	""
"13507"	"nispomeben"	""	"Synthetic organic"	""	""	""	""	"500839917"	"51033894"	""	""	""	""	""	""	""	"N-[(2S)-1-(4-hydroxyphenyl)-3-[(2S)-2-hydroxypropoxy]propan-2-yl]-3-phenylpropanamide"	"nispomeben"	""	"C[C@@H](COC[C@H](CC1=CC=C(C=C1)O)NC(=O)CCC2=CC=CC=C2)O"	"CDKPAWCGPQDCGU-LPHOPBHVSA-N"	"InChI=1S/C21H27NO4/c1-16(23)14-26-15-19(13-18-7-10-20(24)11-8-18)22-21(25)12-9-17-5-3-2-4-6-17/h2-8,10-11,16,19,23-24H,9,12-15H2,1H3,(H,22,25)/t16-,19-/m0/s1"	""	""	""
"2476"	"Ni<sup>2+</sup>"	""	"Inorganic"	""	""	""	""	"135652744"	"934"	""	""	""	""	""	""	""	""	""	"nickel ion"	""	""	""	""	""	""
"13874"	"NITD-349"	""	"Synthetic organic"	""	""	""	""	"513757559"	"72711190"	""	""	"CHEMBL3086112"	""	""	""	""	"N-(4,4-dimethylcyclohexyl)-4,6-difluoro-1H-indole-2-carboxamide"	""	""	"CC1(CCC(CC1)NC(=O)C2=CC3=C(N2)C=C(C=C3F)F)C"	"UATYSFRIVIHVKL-UHFFFAOYSA-N"	"InChI=1S/C17H20F2N2O/c1-17(2)5-3-11(4-6-17)20-16(22)15-9-12-13(19)7-10(18)8-14(12)21-15/h7-9,11,21H,3-6H2,1-2H3,(H,20,22)"	""	""	"yes"
"6834"	"nitisinone"	""	"Synthetic organic"	"yes"	""	""	""	"178103440"	"115355"	""	""	"CHEMBL1337"	""	""	""	""	"2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione"	"nitisinone"	"Orfadin&reg;|SC-0735"	"O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F"	"OUBCNLGXQFSTLU-UHFFFAOYSA-N"	"InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2"	""	""	""
"2334"	"nitrendipine"	""	"Synthetic organic"	"yes"	""	""	""	"135650723"	"4507"	""	""	"CHEMBL475534"	""	""	""	""	"O3-ethyl O5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"nitrendipine"	""	"CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC)C"	"PVHUJELLJLJGLN-UHFFFAOYSA-N"	"InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3"	""	""	""
"4512"	"nitrobenzylmercaptopurine ribonucleoside"	""	"Synthetic organic"	""	""	""	""	"178101238"	"135796589"	""	""	""	""	""	""	""	"(2S,3R,4S,5R)-2-(6-hydroxy-9H-purin-9-yl)-5-(hydroxymethyl)-2-{[(2-nitrophenyl)methyl]sulfanyl}oxolane-3,4-diol"	""	"NBMPR|NBTI|nitrobenzylthioinosine"	"OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(SCc1ccccc1[N+](=O)[O-])n1cnc2c1ncnc2O"	"NVQXRTPYOZKYMZ-GDLHICMESA-N"	"InChI=1S/C17H17N5O7S/c23-5-11-13(24)14(25)17(29-11,21-8-20-12-15(21)18-7-19-16(12)26)30-6-9-3-1-2-4-10(9)22(27)28/h1-4,7-8,11,13-14,23-25H,5-6H2,(H,18,19,26)/t11-,13-,14-,17+/m1/s1"	""	""	""
"12366"	"nitrofural"	""	"Synthetic organic"	"yes"	"yes"	""	""	"479821157"	"5447130"	""	""	"CHEMBL869"	""	""	""	""	"[(5-nitrofuran-2-yl)methylideneamino]urea"	"nitrofural"	"Furacin&reg;|Furacine&reg;|nitrofurazone"	"c1c(oc(c1)[N+](=O)[O-])/C=N/NC(=O)N"	"IAIWVQXQOWNYOU-FPYGCLRLSA-N"	"InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+"	""	""	"yes"
"10917"	"nitrofurantoin"	""	"Synthetic organic"	"yes"	""	""	""	"405560358"	"6604200"	""	""	"CHEMBL572"	""	""	""	""	"1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione"	"nitrofurantoin"	"Furadantin&reg;|Macrobid&reg;|Macrodantin&reg;|Nitro Macro&reg;|NSC-2107|NSC-44150"	"O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-]"	"NXFQHRVNIOXGAQ-YCRREMRBSA-N"	"InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+"	""	""	"yes"
"7053"	"nitroglycerin"	""	"Synthetic organic"	"yes"	""	""	""	"178103632"	"4510"	""	""	"CHEMBL730"	""	""	""	""	"1,3-dinitrooxypropan-2-yl nitrate"	""	"glyceryl trinitrate|Glytrin&reg;|Minitran&reg;|Rectogesic&reg;"	"[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]"	"SNIOPGDIGTZGOP-UHFFFAOYSA-N"	"InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2"	""	""	""
"6296"	"nitrooleic acid"	""	"Synthetic organic"	""	""	""	""	"178102916"	"11645581"	""	""	"CHEMBL550762"	""	""	""	""	"(E)-9-nitrooctadec-9-enoic acid"	""	"9-nitrooleate"	"CCCCCCCC/C=C(/[N+](=O)[O-])\CCCCCCCC(=O)O"	"CQOAKBVRRVHWKV-SAPNQHFASA-N"	"InChI=1S/C18H33NO4/c1-2-3-4-5-6-8-11-14-17(19(22)23)15-12-9-7-10-13-16-18(20)21/h14H,2-13,15-16H2,1H3,(H,20,21)/b17-14+"	""	""	""
"9552"	"nitrosoprodenafil"	""	"Synthetic organic"	""	""	""	""	"336446938"	"71308247"	""	""	""	""	""	""	""	"N-[2-[5-[5-(2,6-dimethylpiperidin-4-yl)sulfonyl-2-ethoxyphenyl]-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-7-yl]oxy-1,3-thiazol-5-yl]-N-methylnitrous amide"	""	""	"CCCc1nn(c2c1nc(nc2Oc1ncc(s1)N(N=O)C)c1cc(ccc1OCC)S(=O)(=O)C1CC(C)NC(C1)C)C"	"BNIFBESUYAAZKT-UHFFFAOYSA-N"	"InChI=1S/C28H36N8O5S2/c1-7-9-21-24-25(36(6)33-21)27(41-28-29-15-23(42-28)35(5)34-37)32-26(31-24)20-14-18(10-11-22(20)40-8-2)43(38,39)19-12-16(3)30-17(4)13-19/h10-11,14-17,19,30H,7-9,12-13H2,1-6H3"	""	""	""
"13964"	"nitroxoline"	""	"Synthetic organic"	"yes"	""	""	""	"518520591"	"19910"	""	""	"CHEMBL1454910"	""	""	""	""	"5-nitroquinolin-8-ol"	"nitroxoline"	"APL-1202|APL1202|compound 10 [PMID: 30939017]"	"C1=CC2=C(C=CC(=C2N=C1)O)[N+](=O)[O-]"	"RJIWZDNTCBHXAL-UHFFFAOYSA-N"	"InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H"	""	""	"yes"
"12719"	"nivasorexant"	""	"Synthetic organic"	""	""	""	""	"483123267"	"71566267"	""	""	"CHEMBL3892369"	""	""	""	""	"[4-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone"	"nivasorexant"	"ACT-539313|ACT539313"	"CC1=CC(=C(C=C1)C(=O)N2CCOC[C@H]2CC3=CC(=CC=C3)N4N=CC=N4)N5N=CC=N5"	"GKPHAIOJCHBZCT-HXUWFJFHSA-N"	"InChI=1S/C23H23N7O2/c1-17-5-6-21(22(13-17)30-26-9-10-27-30)23(31)28-11-12-32-16-20(28)15-18-3-2-4-19(14-18)29-24-7-8-25-29/h2-10,13-14,20H,11-12,15-16H2,1H3/t20-/m1/s1"	""	""	""
"13509"	"nivegacetor"	""	"Synthetic organic"	""	""	""	""	"500839919"	"153606610"	""	""	""	""	""	""	""	"(7R)-7-(3,5-difluorophenoxy)-N-[(1S,5R)-3-(6-methoxypyridazin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-amine"	""	""	"N([C@H]1[C@@]2(CN(C[C@]1(CC2)[H])C=3C=C(OC)N=NC3)[H])C=4N=C5N(N4)CC[C@H]5OC6=CC(F)=CC(F)=C6"	"YYYGNCPNCFDABE-QWUQOBSTSA-N"	"InChI=1S/C23H25F2N7O2/c1-33-20-9-17(10-26-29-20)31-11-13-2-3-14(12-31)21(13)27-23-28-22-19(4-5-32(22)30-23)34-18-7-15(24)6-16(25)8-18/h6-10,13-14,19,21H,2-5,11-12H2,1H3,(H,27,30)/t13-,14+,19-,21-/m1/s1"	""	""	""
"13797"	"nivisnebart"	""	"Antibody"	""	""	""	""	"507750430"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7335"	"nivolumab"	""	"Antibody"	"yes"	""	""	""	"178103907"	"0"	""	""	""	""	""	""	""	""	"nivolumab"	"BMS-936558|MDX-1106|ONO-4538|Opdivo&reg;"	""	""	""	"yes"	""	""
"7248"	"nizatidine"	""	"Synthetic organic"	"yes"	""	""	""	"178103822"	"3033637"	""	""	"CHEMBL653"	""	""	""	""	"dimethyl[(4-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine"	"nizatidine"	"Axid&reg;|LY-139037"	"CN/C(=C\N(=O)=O)/NCCSCc1csc(n1)CN(C)C"	"SGXXNSQHWDMGGP-IZZDOVSWSA-N"	"InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3/b11-6+"	""	""	""
"13906"	"nizubaglustat"	""	"Synthetic organic"	""	""	""	""	"513757591"	"101882900"	""	""	"CHEMBL3354637"	""	""	""	""	"(2S,3R,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol"	"nizubaglustat"	"AZ-3102|AZ3102|compound 76 [PMID: 25250725]"	"C1[C@@H]([C@H]([C@@H]([C@@H](N1CCCCCOCC2=CC(=C(C=C2)C3=CC=CC=C3)F)CO)O)O)O"	"IRIRASPSMMWZOM-CJRSTVEYSA-N"	"InChI=1S/C24H32FNO5/c25-20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/m0/s1"	""	""	""
"12228"	"NK01-63"	""	"Synthetic organic"	""	""	""	""	"473153816"	"163409174"	""	""	""	""	""	""	""	"(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-[[3-(trifluoromethyl)phenyl]methoxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid"	""	"coronastat"	"CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc1cc(ccc1)C(F)(F)F"	"SOKKEQHRVRNCKI-YQASGENESA-N"	"InChI=1S/C22H30F3N3O8S/c1-12(2)8-16(28-21(32)36-11-13-4-3-5-15(9-13)22(23,24)25)19(30)27-17(20(31)37(33,34)35)10-14-6-7-26-18(14)29/h3-5,9,12,14,16-17,20,31H,6-8,10-11H2,1-2H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t14-,16-,17-,20?/m0/s1"	""	""	""
"6503"	"NK3201"	""	"Synthetic organic"	""	""	""	""	"178103117"	"213050"	""	""	""	""	""	""	""	"N-(3,4-dioxo-1-phenyl-7-pyridin-2-yloxyheptan-2-yl)-2-(5-formamido-6-oxo-2-phenylpyrimidin-1-yl)acetamide"	""	"NK 3201|NK-3201"	"O=CNc1cnc(n(c1=O)CC(=O)NC(C(=O)C(=O)CCCOc1ccccn1)Cc1ccccc1)c1ccccc1"	"QOANBAXBOLUAFA-UHFFFAOYSA-N"	"InChI=1S/C31H29N5O6/c37-21-34-25-19-33-30(23-12-5-2-6-13-23)36(31(25)41)20-27(39)35-24(18-22-10-3-1-4-11-22)29(40)26(38)14-9-17-42-28-15-7-8-16-32-28/h1-8,10-13,15-16,19,21,24H,9,14,17-18,20H2,(H,34,37)(H,35,39)"	""	""	""
"14003"	"NK7-902"	""	"Synthetic organic"	""	""	""	""	"518520630"	"172639162"	""	""	""	""	""	""	""	"2-(2,6-dioxopiperidin-3-yl)-5-[(1S,2R,5S)-2-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]isoindole-1,3-dione"	""	""	"CCN[C@@H]1CC[C@H]2CC[C@@H]1N2C3=CC4=C(C=C3)C(=O)N(C5CCC(=O)NC5=O)C4=O"	"QAKJEKTXKXAPBP-MGCURZBSSA-N"	"InChI=1S/C22H26N4O4/c1-2-23-16-7-4-12-5-8-17(16)25(12)13-3-6-14-15(11-13)22(30)26(21(14)29)18-9-10-19(27)24-20(18)28/h3,6,11-12,16-18,23H,2,4-5,7-10H2,1H3,(H,24,27,28)/t12-,16+,17-,18?/m0/s1"	"yes"	""	""
"5232"	"NKH477"	""	"Synthetic organic"	""	""	""	""	"178101916"	"124010"	""	""	""	""	""	""	""	"[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 4-methylpentanoate"	"colforsin"	"6-(3-dimethylaminopropionyl) forskolin hydrochloride|colforsin dapropate hydrochloride|NKH-477"	"C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)OC(=O)CCC(C)C)O"	"DOIXLDJOYNGJJP-SMIGQZBFSA-N"	"InChI=1S/C28H44O8/c1-10-25(7)15-19(31)28(33)26(8)18(30)13-14-24(5,6)22(26)21(35-20(32)12-11-16(2)3)23(34-17(4)29)27(28,9)36-25/h10,16,18,21-23,30,33H,1,11-15H2,2-9H3/t18-,21-,22-,23-,25-,26-,27+,28-/m0/s1"	""	""	""
"5233"	"NKY80"	""	"Synthetic organic"	""	""	""	""	"178101917"	"2772368"	""	""	"CHEMBL1456284"	""	""	""	""	"2-amino-7-(furan-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one"	""	"adenylyl cyclase type V Inhibitor|NKY 80|NKY-80"	"Nc1ncc2c(n1)CC(CC2=O)c1ccco1"	"SOJUSNIBPPMLCC-UHFFFAOYSA-N"	"InChI=1S/C12H11N3O2/c13-12-14-6-8-9(15-12)4-7(5-10(8)16)11-2-1-3-17-11/h1-3,6-7H,4-5H2,(H2,13,14,15)"	""	""	""
"13416"	"NL13"	""	"Synthetic organic"	""	""	""	""	"496703386"	"171663352"	""	""	""	""	""	""	""	"(3Z,5E)-3,5-bis[(2-chlorophenyl)methylidene]-1-propanoylpiperidin-4-one"	""	"compound 7 [PMID: 39142876]"	"CCC(=O)N1C/C(=C/C2=C(Cl)C=CC=C2)/C(=O)/C(/C1)=C/C3=C(Cl)C=CC=C3"	"UMURAXCBRUGMLC-MJZABRMRSA-N"	"InChI=1S/C22H19Cl2NO2/c1-2-21(26)25-13-17(11-15-7-3-5-9-19(15)23)22(27)18(14-25)12-16-8-4-6-10-20(16)24/h3-12H,2,13-14H2,1H3/b17-11-,18-12+"	""	""	""
"1805"	"[Nle<sup>8,18</sup>,Tyr<sup>34</sup>]PTH-(1-34)-NH<sub>2</sub> (bovine)"	""	"Peptide"	""	""	""	""	"135652326"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1806"	"[Nle<sup>8,18</sup>,Tyr<sup>34</sup>]PTH-(3-34)-NH<sub>2</sub> (bovine)"	""	"Peptide"	""	""	""	""	"135652327"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1455"	"[nLeu<sup>13</sup>,Glu<sup>14</sup>]motilin (human)"	""	"Peptide"	""	""	""	""	"135652328"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14340"	"NLRP3 inhibitor 3 [PMID: 33255820]"	""	"Synthetic organic"	""	""	""	""	"523352132"	"142490216"	""	""	"CHEMBL6021067"	""	""	""	""	"1-[N-cyano-S-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea"	""	"example 65 [US11236045B2]"	"CC(C)(O)C1=CN=CC(=C1)S(=O)(NC(=O)NC2=C3CCCC3=CC4=C2CCC4)=NC#N"	"GLBXEHSDYAAEQT-UHFFFAOYSA-N"	"InChI=1S/C22H25N5O3S/c1-22(2,29)16-10-17(12-24-11-16)31(30,25-13-23)27-21(28)26-20-18-7-3-5-14(18)9-15-6-4-8-19(15)20/h9-12,29H,3-8H2,1-2H3,(H2,25,26,27,28,30)"	"yes"	""	""
"3924"	"NLX-101"	""	"Synthetic organic"	""	""	""	""	"178100753"	"11741361"	""	""	"CHEMBL230963"	""	""	""	""	"(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methylpyrimidin-2-yl)methylamino]methyl]piperidin-1-yl]methanone"	""	"F-15,599|F-15599|F15599"	"Cc1cnc(nc1)CNCC1(F)CCN(CC1)C(=O)c1ccc(c(c1)Cl)F"	"WAAXKNFGOFTGLP-UHFFFAOYSA-N"	"InChI=1S/C19H21ClF2N4O/c1-13-9-24-17(25-10-13)11-23-12-19(22)4-6-26(7-5-19)18(27)14-2-3-16(21)15(20)8-14/h2-3,8-10,23H,4-7,11-12H2,1H3"	""	""	""
"9009"	"NM4-C<sub>16</sub>"	""	"Peptide"	""	""	""	""	"310264787"	"117072559"	""	""	""	""	""	""	""	"2-[(2S)-5-carbamimidamido-2-({1-[(2S)-5-carbamimidamido-2-{2-[(2S)-2-(2-{2-[6-(dihexadecylamino)hexanamido]-2-methylpropanamido}-3-phenylpropanamido)-4-methylpentanamido]-3-phenylpropanamido}pentanoyl]pyrrolidin-2-yl}formamido)pentanamido]butanediamide"	""	""	"CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCC(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N1CCCC1C(=O)N[C@H](C(=O)NC(C(=O)N)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)Cc1ccccc1)CC(C)C)Cc1ccccc1)(C)C"	"GDPUTCQTCXMCTL-YPQIROLXSA-N"	"InChI=1S/C87H151N17O10/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-41-57-103(58-42-32-30-28-26-24-22-20-18-16-14-12-10-8-2)59-43-35-40-54-76(106)102-87(5,6)84(114)101-73(63-67-49-38-34-39-50-67)81(111)99-71(61-65(3)4)79(109)100-72(62-66-47-36-33-37-48-66)80(110)97-69(52-45-56-95-86(92)93)83(113)104-60-46-53-74(104)82(112)96-68(51-44-55-94-85(90)91)78(108)98-70(77(89)107)64-75(88)105/h33-34,36-39,47-50,65,68-74H,7-32,35,40-46,51-64H2,1-6H3,(H2,88,105)(H2,89,107)(H,96,112)(H,97,110)(H,98,108)(H,99,111)(H,100,109)(H,101,114)(H,102,106)(H4,90,91,94)(H4,92,93,95)/t68-,69-,70?,71-,72?,73?,74?/m0/s1"	""	""	""
"13343"	"NMD670"	""	"Synthetic organic"	""	""	""	""	"496703313"	"138684045"	""	""	""	""	""	""	""	"(2S)-2-[4-bromo-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid"	""	"NMD-670"	"C[C@H](OC1=C(C=C(Br)C=C1)C2=NOC=C2)C(O)=O"	"XKXLEZCOELWNMB-ZETCQYMHSA-N"	"InChI=1S/C12H10BrNO4/c1-7(12(15)16)18-11-3-2-8(13)6-9(11)10-4-5-17-14-10/h2-7H,1H3,(H,15,16)/t7-/m0/s1"	""	""	""
"4268"	"NMDA"	""	"Synthetic organic"	""	""	""	""	"178101085"	"22880"	""	""	"CHEMBL291278"	""	""	""	""	"(2R)-2-(methylamino)butanedioic acid"	""	""	"CN[C@@H](C(=O)O)CC(=O)O"	"HOKKHZGPKSLGJE-GSVOUGTGSA-N"	"InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1"	""	""	""
"5733"	"N-Me-aminopyrimidinone 9"	""	"Synthetic organic"	""	""	""	""	"178102359"	"56951318"	""	""	"CHEMBL1938867"	""	""	""	""	"6-amino-2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-methyl-3,4-dihydropyrimidin-4-one"	""	""	"CC(c1ccc(cc1)CSc1nc(N)cc(=O)n1C)(C)C"	"AJMIFZLEDTUBTN-UHFFFAOYSA-N"	"InChI=1S/C16H21N3OS/c1-16(2,3)12-7-5-11(6-8-12)10-21-15-18-13(17)9-14(20)19(15)4/h5-9H,10,17H2,1-4H3"	""	""	""
"6109"	"[N-Me,des-Sar]Gal-B2"	""	"Peptide"	""	""	""	""	"178102730"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1740"	"(N)methanocarba-UTP"	""	"Synthetic organic"	""	""	""	""	"135650724"	"44309485"	""	""	""	""	""	""	""	"({[({[4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,3-dihydroxybicyclo[3.1.0]hexan-1-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid"	""	""	"OC1C(n2ccc(=O)[nH]c2=O)C2C(C1O)(C2)COP(=O)(OP(=O)(OP(=O)(O)O)O)O"	"XWFVJTIKQWQNID-UHFFFAOYSA-N"	"InChI=1S/C11H17N2O14P3/c14-6-1-2-13(10(17)12-6)7-5-3-11(5,9(16)8(7)15)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5,7-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)"	""	""	""
"9520"	"N-methyl-2-pyrrolidone"	""	"Synthetic organic"	""	""	""	""	"336446906"	"13387"	""	""	""	""	""	""	""	"1-methylpyrrolidin-2-one"	""	"N-methyl-pyrrolidone|NMP"	"O=C1CCCN1C"	"SECXISVLQFMRJM-UHFFFAOYSA-N"	"InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3"	"yes"	""	""
"5419"	"N-methyl-exo-THPO"	""	"Synthetic organic"	""	""	""	""	"178102072"	"9989616"	""	""	"CHEMBL149914"	""	""	""	""	"4-(methylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol"	""	""	"CNC1CCCc2c1c(O)no2"	"UJAXSQRTPSSJPO-UHFFFAOYSA-N"	"InChI=1S/C8H12N2O2/c1-9-5-3-2-4-6-7(5)8(11)10-12-6/h5,9H,2-4H2,1H3,(H,10,11)"	""	""	""
"13242"	"N-methyllaurotetanine"	""	"Natural product"	""	""	""	""	"491300024"	"16573"	""	""	"CHEMBL464099"	""	""	""	""	""	""	"2-O-methylboldine|Boldine 2-methyl ether|Lauroscholtzine|Rogersine"	"CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)OC"	"ZFLRVRLYWHNAEC-AWEZNQCLSA-N"	"InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1"	""	""	""
"6194"	"N-methyl LTC<sub>4</sub>"	""	"Synthetic organic"	""	""	""	""	"178102815"	"73755185"	""	""	""	""	""	""	""	"(5S,6R,7E,9E,11Z,14Z)-6-({2-[4-carboxy-4-(methylamino)butanamido]-2-[(carboxymethyl)carbamoyl]ethyl}sulfanyl)-5-hydroxyicosa-7,9,11,14-tetraenoic acid"	""	"N-methyl-leukotriene C<sub>4</sub>"	"CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)NC"	"FPLBRCJNODNRQZ-LZHUJPGBSA-N"	"InChI=1S/C31H49N3O9S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-26(25(35)16-15-18-28(37)38)44-22-24(30(41)33-21-29(39)40)34-27(36)20-19-23(32-2)31(42)43/h7-8,10-14,17,23-26,32,35H,3-6,9,15-16,18-22H2,1-2H3,(H,33,41)(H,34,36)(H,37,38)(H,39,40)(H,42,43)/b8-7-,11-10-,13-12+,17-14+/t23?,24?,25-,26+/m0/s1"	""	""	""
"5522"	"N-methylpiperidine"	""	"Metabolite"	""	""	""	""	"178102165"	"12291"	""	""	"CHEMBL281417"	""	""	""	""	"1-Methylpiperidine"	""	""	"CN1CCCCC1"	"PAMIQIKDUOTOBW-UHFFFAOYSA-N"	"InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3"	""	""	""
"4652"	"N-methyl-pyridinium-2-aldoxime"	""	"Synthetic organic"	""	""	""	""	"178101369"	"4884"	""	""	"CHEMBL1420"	""	""	""	""	"[(1-methyl-1,2-dihydropyridin-2-ylidene)methyl](oxo)azanium"	""	""	"O=[NH+]C=c1ccccn1C"	"JBKPUQTUERUYQE-UHFFFAOYSA-O"	"InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1"	""	""	""
"316"	"N-methyl scopolamine"	""	"Synthetic organic"	"yes"	""	""	""	"135650725"	"71183"	""	""	""	""	""	""	""	"(1R,2R,4S,5S)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium"	""	"methylscopolamine|methylscopolamine bromide|N-methylscopolamine|NMS|Pamine&reg;"	"OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3"	"LZCOQTDXKCNBEE-XJMZPCNVSA-N"	"InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12?,13-,14-,15+,16-,17+/m1/s1"	""	""	""
"4604"	"N-methyl-SSR504734"	""	"Synthetic organic"	""	""	""	""	"178101324"	"11704260"	""	""	"CHEMBL1939495"	""	""	""	""	"2-chloro-N-[(S)-[(2S)-1-methylpiperidin-2-yl](phenyl)methyl]-3-(trifluoromethyl)benzamide"	""	""	"CN1CCCC[C@H]1[C@H](c1ccccc1)NC(=O)c1cccc(c1Cl)C(F)(F)F"	"XPXKFXNVIAOBEI-HKUYNNGSSA-N"	"InChI=1S/C21H22ClF3N2O/c1-27-13-6-5-12-17(27)19(14-8-3-2-4-9-14)26-20(28)15-10-7-11-16(18(15)22)21(23,24)25/h2-4,7-11,17,19H,5-6,12-13H2,1H3,(H,26,28)/t17-,19-/m0/s1"	""	""	""
"9401"	"NMS-P715"	""	"Synthetic organic"	""	""	""	""	"328083503"	"44556162"	""	""	"CHEMBL1236095"	""	""	""	""	"N-(2,6-diethylphenyl)-1-methyl-8-[4-[(1-methylpiperidin-4-yl)carbamoyl]-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide"	""	"compound 15 [PMID: 21723120]|NMSP715"	"CCc1cccc(c1NC(=O)c1nn(c2c1CCc1c2nc(nc1)Nc1ccc(cc1OC(F)(F)F)C(=O)NC1CCN(CC1)C)C)CC"	"JFOAJUGFHDCBJJ-UHFFFAOYSA-N"	"InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43)"	""	""	""
"12201"	"NMT5"	""	"Synthetic organic"	""	""	""	""	"472319321"	"155354575"	""	""	""	""	""	""	""	"[3-(aminomethyl)-5,7-dimethyl-1-adamantyl]methyl nitrate"	""	""	"CC12CC3(C)CC(CN)(C1)CC(CO[N+](=O)[O-])(C2)C3"	"SYDDVDMTNCXIDJ-UHFFFAOYSA-N"	"InChI=1S/C14H24N2O3/c1-11-3-12(2)5-13(4-11,9-15)8-14(6-11,7-12)10-19-16(17)18/h3-10,15H2,1-2H3"	""	""	""
"13848"	"NMT inhibitor 1 [WO2024052685A1]"	""	"Synthetic organic"	""	""	""	""	"513757533"	"171065696"	""	""	""	""	""	""	""	"1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol"	""	""	"FC1=C(OCCC=2C(=NN(C2C)C)C(C(C)(C)C)O)C(=CC=C1F)C=3C=CC=4N(C3)C(=CN4)CNC"	"BXIHXITXQCGGOW-UHFFFAOYSA-N"	"InChI=1S/C27H33F2N5O2/c1-16-19(24(32-33(16)6)26(35)27(2,3)4)11-12-36-25-20(8-9-21(28)23(25)29)17-7-10-22-31-14-18(13-30-5)34(22)15-17/h7-10,14-15,26,30,35H,11-13H2,1-6H3"	""	""	""
"10569"	"NMU (104-114)"	""	"Peptide"	""	""	""	""	"404859016"	"145996512"	""	""	""	""	""	""	""	""	""	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CCCCN)CCC(=O)N)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)CC(C)C)Cc1ccccc1)Cc1nc[nH]c1)Cc1ccc(cc1)O)CO"	"LAHQIXAOZMTTQC-LEOUQZHDSA-N"	"InChI=1S/C69H103N17O15/c1-39(2)30-51(59(74)91)80-61(93)48(20-12-14-28-70)77-62(94)50(26-27-57(73)90)79-69(101)58(41(5)88)86-63(95)49(21-13-15-29-71)78-68(100)56(37-87)85-66(98)54(34-44-22-24-46(89)25-23-44)83-67(99)55(35-45-36-75-38-76-45)84-65(97)53(33-43-18-10-7-11-19-43)82-64(96)52(31-40(3)4)81-60(92)47(72)32-42-16-8-6-9-17-42/h6-11,16-19,22-25,36,38-41,47-56,58,87-89H,12-15,20-21,26-35,37,70-72H2,1-5H3,(H2,73,90)(H2,74,91)(H,75,76)(H,77,94)(H,78,100)(H,79,101)(H,80,93)(H,81,92)(H,82,96)(H,83,99)(H,84,97)(H,85,98)(H,86,95)/t41-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,58+/m1/s1"	""	""	""
"13441"	"NN1213"	""	"Peptide"	""	""	""	""	"500839851"	"0"	""	""	""	""	""	""	""	""	""	"NN-1213|peptide 21 [PMID: 38960379]"	""	""	""	""	""	""
"10940"	"N, N-bis (5-ethyl-2-hydroxybenzyl) methylamine"	""	"Synthetic organic"	""	""	""	""	"405560381"	"85860456"	""	""	""	""	""	""	""	"4-ethyl-2-[[(5-ethyl-2-hydroxyphenyl)methyl-methylamino]methyl]phenol"	""	"EMD"	"CCc1ccc(c(c1)CN(Cc1cc(CC)ccc1O)C)O"	"COZATXGXDYUQGG-UHFFFAOYSA-N"	"InChI=1S/C19H25NO2/c1-4-14-6-8-18(21)16(10-14)12-20(3)13-17-11-15(5-2)7-9-19(17)22/h6-11,21-22H,4-5,12-13H2,1-3H3"	""	""	""
"6911"	"N,N`-bis-alkyl butylimmidazole 12b"	""	"Synthetic organic"	""	""	""	""	"178103493"	"73755247"	""	""	""	""	""	""	""	"disodium;5-[2-[4-[[4-butyl-3-[[4-[2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)phenyl]phenyl]methyl]-1H-imidazol-3-ium-5-yl]methyl]phenyl]phenyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene;bromide"	""	"compound 12b [PMID: 23376252]"	"CCCCc1n([c+]nc1Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na])Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na].[Br-]"	"BFASNXRKCVRLPK-UHFFFAOYSA-M"	"InChI=1S/C35H29N10.BrH.2Na/c1-2-3-12-33-32(21-24-13-17-26(18-14-24)28-8-4-6-10-30(28)34-37-41-42-38-34)36-23-45(33)22-25-15-19-27(20-16-25)29-9-5-7-11-31(29)35-39-43-44-40-35;;;/h4-11,13-20H,2-3,12,21-22H2,1H3;1H;;/q-1;;2*+1/p-1"	""	""	""
"4610"	"NNC052090"	""	"Synthetic organic"	""	""	""	""	"178101330"	"9888030"	""	""	"CHEMBL1446457"	""	""	""	""	"1-[3-(9H-carbazol-9-yl)propyl]-4-(2-methoxyphenyl)piperidin-4-ol"	""	"NNC 05-2090"	"COc1ccccc1C1(O)CCN(CC1)CCCn1c2ccccc2c2c1cccc2"	"XZZYCJOGZYEPPW-UHFFFAOYSA-N"	"InChI=1S/C27H30N2O2/c1-31-26-14-7-4-11-23(26)27(30)15-19-28(20-16-27)17-8-18-29-24-12-5-2-9-21(24)22-10-3-6-13-25(22)29/h2-7,9-14,30H,8,15-20H2,1H3"	""	""	""
"9574"	"NNC0640"	""	"Synthetic organic"	""	""	""	""	"336446960"	"23549991"	""	""	""	""	""	""	""	"4-[[(4-cyclohexylphenyl)-[(3-methylsulfonylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide"	""	""	"O=C(N(c1ccc(cc1)C1CCCCC1)Cc1ccc(cc1)C(=O)Nc1n[nH]nn1)Nc1cccc(c1)S(=O)(=O)C"	"PPTKULJUDJWTSA-UHFFFAOYSA-N"	"InChI=1S/C29H31N7O4S/c1-41(39,40)26-9-5-8-24(18-26)30-29(38)36(25-16-14-22(15-17-25)21-6-3-2-4-7-21)19-20-10-12-23(13-11-20)27(37)31-28-32-34-35-33-28/h5,8-18,21H,2-4,6-7,19H2,1H3,(H,30,38)(H2,31,32,33,34,35,37)"	""	""	""
"291"	"NNC 11-1314"	""	"Synthetic organic"	""	""	""	""	"135650726"	"10426487"	""	""	"CHEMBL99521"	""	""	""	""	"8-[4-(3-phenylprop-2-ynoxy)-1,2,5-thiadiazol-3-yl]-1-azabicyclo[2.2.2]octane"	""	""	"C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1"	"SNSMIIQEKVYNOH-UHFFFAOYSA-N"	"InChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)7-4-12-22-18-17(19-23-20-18)16-13-21-10-8-15(16)9-11-21/h1-3,5-6,15-16H,8-13H2"	""	""	""
"292"	"NNC 11-1585"	""	"Synthetic organic"	""	""	""	""	"135650727"	"11757797"	""	""	""	""	""	""	""	"8-[4-[3-[4-[3-[[4-(1-azabicyclo[2.2.2]octan-8-yl)-1,2,5-thiadiazol-3-yl]oxy]prop-1-ynyl]phenyl]prop-2-ynoxy]-1,2,5-thiadiazol-3-yl]-1-azabicyclo[2.2.2]octane"	""	""	"C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2"	"ROEXPZFFOZZHOY-UHFFFAOYSA-N"	"InChI=1S/C30H32N6O2S2/c1(17-37-29-27(31-39-33-29)25-19-35-13-9-23(25)10-14-35)3-21-5-7-22(8-6-21)4-2-18-38-30-28(32-40-34-30)26-20-36-15-11-24(26)12-16-36/h5-8,23-26H,9-20H2"	""	""	""
"293"	"NNC 11-1607"	""	"Synthetic organic"	""	""	""	""	"135650728"	"9985526"	""	""	""	""	""	""	""	"8-[4-[3-[3-[3-[[4-(1-azabicyclo[2.2.2]octan-8-yl)-1,2,5-thiadiazol-3-yl]oxy]prop-1-ynyl]phenyl]prop-2-ynoxy]-1,2,5-thiadiazol-3-yl]-1-azabicyclo[2.2.2]octane"	""	""	"C1CN2CCC1C(C2)c1nsnc1OCC#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2"	"TYLFZULSDOOCRC-UHFFFAOYSA-N"	"InChI=1S/C30H32N6O2S2/c1-4-21(6-2-16-37-29-27(31-39-33-29)25-19-35-12-8-23(25)9-13-35)18-22(5-1)7-3-17-38-30-28(32-40-34-30)26-20-36-14-10-24(26)11-15-36/h1,4-5,18,23-26H,8-17,19-20H2"	""	""	""
"9760"	"NNC1702"	""	"Peptide"	""	""	""	""	"354702233"	"0"	""	""	""	""	""	""	""	""	""	"des-His<sup>1</sup>-[Glu<sup>9</sup>, Lys<sup>24</sup>(4 X &gamma;Glu), Leu<sup>27</sup>]glucagon"	""	""	""	""	""	""
"3513"	"NNC269100"	""	"Synthetic organic"	""	""	""	""	"178100498"	"5311371"	""	""	"CHEMBL1474351"	""	""	""	""	"1-[3-[(5-bromopyridin-2-yl)-[(3,4-dichlorophenyl)methyl]amino]propyl]-3-[3-(3H-imidazol-4-yl)propyl]urea"	""	"NNC 269100|NNC-269100"	"O=C(NCCCc1cnc[nH]1)NCCCN(c1ccc(cn1)Br)Cc1ccc(c(c1)Cl)Cl"	"QJDXAQZNKZDALD-UHFFFAOYSA-N"	"InChI=1S/C22H25BrCl2N6O/c23-17-5-7-21(29-12-17)31(14-16-4-6-19(24)20(25)11-16)10-2-9-28-22(32)27-8-1-3-18-13-26-15-30-18/h4-7,11-13,15H,1-3,8-10,14H2,(H,26,30)(H2,27,28,32)"	""	""	""
"4269"	"NNC55-0396"	""	"Synthetic organic"	""	""	""	""	"178101086"	"9957280"	""	""	"CHEMBL1551597"	""	""	""	""	"[(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] cyclopropanecarboxylate"	""	"NNC 55-0396"	"CN(CC[C@]1(CCc2c([C@@H]1C(C)C)ccc(c2)F)OC(=O)C1CC1)CCCc1nc2c([nH]1)cccc2"	"VHHVPDKNKPNKHY-JDXGNMNLSA-N"	"InChI=1S/C30H38FN3O2/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21-10-11-21)16-18-34(3)17-6-9-27-32-25-7-4-5-8-26(25)33-27/h4-5,7-8,12-13,19-21,28H,6,9-11,14-18H2,1-3H3,(H,32,33)/t28-,30-/m0/s1"	""	""	""
"4669"	"NNC-711"	""	"Synthetic organic"	""	""	""	""	"178101384"	"4515"	""	""	"CHEMBL473104"	""	""	""	""	"1-(2-{[(diphenylmethylidene)amino]oxy}ethyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid"	""	"NO-711"	"OC(=O)C1=CCCN(C1)CCO/N=C(\c1ccccc1)/c1ccccc1"	"NGNALWDRPKNJGR-UHFFFAOYSA-N"	"InChI=1S/C21H22N2O3/c24-21(25)19-12-7-13-23(16-19)14-15-26-22-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12H,7,13-16H2,(H,24,25)"	""	""	""
"3515"	"NNC 92-1687"	""	"Synthetic organic"	""	""	""	""	"53801051"	"4206177"	""	""	"CHEMBL346451"	""	""	""	""	"2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone"	""	"NNC92-1687"	"O=C(c1ccc(c(c1)O)O)CSc1nc2c([nH]1)cccc2"	"NVYSVDRYESXWBD-UHFFFAOYSA-N"	"InChI=1S/C15H12N2O3S/c18-12-6-5-9(7-13(12)19)14(20)8-21-15-16-10-3-1-2-4-11(10)17-15/h1-7,18-19H,8H2,(H,16,17)"	""	""	""
"2454"	"NN-dimethyl-D-erythrosphingosine"	""	"Metabolite"	""	""	""	""	"135650729"	"6438166"	""	""	""	""	""	""	""	"(E,2R,3S)-2-dimethylaminooctadec-4-ene-1,3-diol"	""	""	"CCCCCCCCCCCCC/C=C/[C@@H]([C@H](N(C)C)CO)O"	"YRXOQXUDKDCXME-QWKHPXNBSA-N"	"InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m1/s1"	""	""	""
"12166"	"NNMT inhibitor 14 [PMID: 35904556]"	""	"Synthetic organic"	""	""	""	""	"472319288"	"164946746"	""	""	""	""	""	""	""	"1-{1-[(3S,5R)-5-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-indol-2-yl}-1-{2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonyl}pyrrolidin-3-yl]-3-methyl-1H-pyrazol-5-yl}methanamine"	""	""	"Clc1ccc(cc1)Cn1c2ccc(C)cc2cc1[C@@H]1N(C(=O)c2cnc3c(cc(C)[nH]3)c2)C[C@@H](n2nc(C)cc2CN)C1"	"LJMIMBZGIMDSPE-BHDXBOSCSA-N"	"InChI=1S/C34H34ClN7O/c1-20-4-9-30-24(10-20)14-31(40(30)18-23-5-7-27(35)8-6-23)32-15-29(42-28(16-36)12-22(3)39-42)19-41(32)34(43)26-13-25-11-21(2)38-33(25)37-17-26/h4-14,17,29,32H,15-16,18-19,36H2,1-3H3,(H,37,38)/t29-,32+/m0/s1"	""	""	""
"2509"	"NO"	""	"Inorganic"	"yes"	""	""	""	"178100228"	"145068"	""	""	""	""	""	""	""	""	""	"INOmax&reg;|nitric oxide|nitrogen monoxide"	""	""	""	""	""	""
"12446"	"nobiletin"	""	"Natural product"	""	""	""	""	"479821236"	"72344"	""	""	"CHEMBL76447"	""	""	""	""	"2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one"	""	"Hexamethoxyflavone"	"COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC"	"MRIAQLRQZPPODS-UHFFFAOYSA-N"	"InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3"	""	""	""
"12295"	"nocardicin A"	""	"Natural product"	""	""	""	""	"479821086"	"6400657"	""	""	""	""	""	""	""	"(2R)-2-amino-4-[4-[N-hydroxy-C-[[(3S)-1-[(1R)-2-hydroxy-1-(4-hydroxyphenyl)-2-oxoethyl]-2-oxoazetidin-3-yl]carbamoyl]carbonimidoyl]phenoxy]butanoic acid"	""	""	"C1[C@@H](C(=O)N1[C@H](c1ccc(cc1)O)C(=O)O)NC(=O)/C(=N\O)/c1ccc(cc1)OCC[C@H](C(=O)O)N"	"CTNZOGJNVIFEBA-UPSUJEDGSA-N"	"InChI=1S/C23H24N4O9/c24-16(22(31)32)9-10-36-15-7-3-12(4-8-15)18(26-35)20(29)25-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-17,19,28,35H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)/b26-18-/t16-,17+,19-/m1/s1"	""	""	"yes"
"2053"	"NOC-ATE"	""	"Peptide"	""	""	""	""	"135652332"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1681"	"nociceptin/orphanin FQ"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651822"	"16131448"	"Q62923|Q64387|Q13519"	"ENSRNOG00000014231|ENSMUSG00000045731|ENSG00000168081"	"CHEMBL396460"	""	""	""	""	""	""	"N/OFQ"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC(=O)N)C)CC(C)C)CCCCN)CCCNC(=N)N)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N)C)CCCNC(=N)N"	"PULGYDLMFSFVBL-SMFNREODSA-N"	"InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1"	""	""	""
"12447"	"N-octanoyl-L-homoserine lactone"	""	"Peptide"	""	""	""	""	"479821237"	"6914579"	""	""	"CHEMBL259352"	""	""	""	""	"N-[(3S)-2-oxooxolan-3-yl]octanamide"	""	"C8-HSL|Octanoyl-L-homoserine lactone"	"CCCCCCCC(=O)N[C@H]1CCOC1=O"	"JKEJEOJPJVRHMQ-JTQLQIEISA-N"	"InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1"	""	""	""
"5627"	"NODAGA-[Tyr<sup>3</sup>]-octreotide"	""	"Peptide"	""	""	""	""	"178102257"	"0"	""	""	""	""	""	""	""	""	""	"NODAGA-Tyr3-octreotide|NODAGATOC"	""	""	""	""	""	""
"11019"	"nodusmicin"	""	"Natural product"	""	""	""	""	"405560460"	"101643013"	""	""	""	""	""	""	""	""	""	"nodusmicin 1"	"CO[C@H]1C[C@H]2C=C[C@@H]3[C@@H]4[C@]2(O[C@H]3[C@@H]([C@@H]([C@H]4O)C)O)/C(=C\[C@H]([C@H](OC1=O)[C@H](O)C)C)/C"	"LUCYVUUQBYQHOV-GFCOOTNGSA-N"	"InChI=1S/C23H34O7/c1-10-8-11(2)23-14(9-16(28-5)22(27)29-20(10)13(4)24)6-7-15-17(23)18(25)12(3)19(26)21(15)30-23/h6-8,10,12-21,24-26H,9H2,1-5H3/b11-8-/t10-,12-,13-,14-,15-,16+,17+,18-,19-,20+,21-,23+/m1/s1"	""	""	"yes"
"1682"	"N/OFQ-(1-13)-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"135652333"	"6324645"	""	""	"CHEMBL384755"	""	""	""	""	"(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]hexanamide"	""	"nociceptin(1-13)NH<sub>2</sub>|nociceptin/orphanin FQ(1-13)NH<sub>2</sub>|orphanin FQ(1-13)NH<sub>2</sub>"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCN=C(N)N)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N)C)CCCN=C(N)N"	"RHMALYOXPBRJBG-CGUXNFSNSA-N"	"InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1"	""	""	""
"1683"	"N/OFQ-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"135652334"	"0"	""	""	""	""	""	""	""	""	""	"nociceptin-NH<sub>2</sub>|nociceptin/orphanin FQ--NH<sub>2</sub>|orphanin FQ-NH<sub>2</sub>"	""	""	""	""	""	""
"11594"	"nogapendekin alfa"	""	"Peptide"	""	""	""	""	"442878628"	"0"	""	""	""	""	""	""	""	""	"nogapendekin alfa"	"IL15 D72"	""	""	""	""	""	""
"10975"	"Noggin"	"Human"	"Peptide"	""	""	""	""	"405560416"	"0"	"Q13253"	"ENSG00000183691"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10951"	"nojirimycin"	""	"Natural product"	""	""	""	""	"405560392"	"65242"	""	""	"CHEMBL120638"	""	""	""	""	"(3R,4S,5R,6R)-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol"	""	"5-amino-5-deoxy-D-glucopyranose|D-gluco-piperidinose"	"OC[C@H]1NC(O)[C@@H]([C@H]([C@@H]1O)O)O"	"BGMYHTUCJVZIRP-GASJEMHNSA-N"	"InChI=1S/C6H13NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-12H,1H2/t2-,3-,4+,5-,6?/m1/s1"	""	""	"yes"
"5552"	"N-oleoyldopamine"	""	"Metabolite"	""	""	""	""	"178102194"	"5282106"	""	""	"CHEMBL250711"	""	""	""	""	"(Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]octadec-9-enamide"	""	"N-oleoyl dopamine|OLDA"	"CCCCCCCC/C=C\CCCCCCCC(=O)NCCc1ccc(c(c1)O)O"	"QQBPLXNESPTPNU-KTKRTIGZSA-N"	"InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-"	""	""	""
"2661"	"N-oleoylethanolamide"	""	"Metabolite"	""	""	""	""	"135651533"	"5283454"	""	""	"CHEMBL280065"	""	""	""	""	"(Z)-N-(2-hydroxyethyl)octadec-9-enamide"	""	"N-oleoylethanolamine|NOE|OEA|oleylethanolamide"	"CCCCCCCC/C=C\CCCCCCCC(=O)NCCO"	"BOWVQLFMWHZBEF-KTKRTIGZSA-N"	"InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-"	""	""	""
"2107"	"nolpitantium"	""	"Synthetic organic"	""	""	""	""	"135651073"	"108167"	""	""	"CHEMBL1178725"	""	""	""	""	"1-[(3S)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone"	""	"SR 140,333|SR 140333|SR-140333|SR140333"	"CC(Oc1cccc(c1)CC(=O)N1CCC[C@](C1)(CC[N+]12CCC(CC1)(CC2)c1ccccc1)c1ccc(c(c1)Cl)Cl)C"	"RPDFDSQFBCJTDY-GAQXSTBRSA-N"	"InChI=1S/C37H45Cl2N2O2/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3/q+1/t36?,37-,41?/m1/s1"	""	""	""
"11245"	"nomegestrol"	""	"Synthetic organic"	"yes"	""	""	""	"434122305"	"68783"	""	""	"CHEMBL2105722"	""	""	""	""	""	""	""	"O=C1CC[C@H]2C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C"	"KZUIYQJTUIACIG-YBZCJVABSA-N"	"InChI=1S/C21H28O3/c1-12-10-18-16(15-5-4-14(23)11-17(12)15)6-8-20(3)19(18)7-9-21(20,24)13(2)22/h10-11,15-16,18-19,24H,4-9H2,1-3H3/t15-,16-,18-,19+,20+,21+/m1/s1"	""	""	""
"14360"	"nomelcitinib"	""	"Synthetic organic"	""	""	""	""	"523352152"	"170678247"	""	""	""	""	""	""	""	"4-[(5-chloro-3-methylsulfonyl-2-pyridinyl)amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide"	"nomelcitinib"	"compound 52 [WO2022135430]|D-2570"	"[2H]C([2H])([2H])NC(=O)C1=NN=C(C=C1NC2=C(C=C(C=N2)Cl)S(=O)(=O)C)NC(=O)C3CC3"	"QZZGWCBTIULDRA-FIBGUPNXSA-N"	"InChI=1S/C16H17ClN6O4S/c1-18-16(25)13-10(6-12(22-23-13)21-15(24)8-3-4-8)20-14-11(28(2,26)27)5-9(17)7-19-14/h5-8H,3-4H2,1-2H3,(H,18,25)(H2,19,20,21,22,24)/i1D3"	"yes"	""	""
"4792"	"nomifensine"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178101494"	"4528"	""	""	"CHEMBL273575"	""	""	""	""	"2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine"	"nomifensine"	"Alival&reg;|Merital&reg;"	"CN1CC(c2ccccc2)c2c(C1)c(N)ccc2"	"XXPANQJNYNUNES-UHFFFAOYSA-N"	"InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3"	""	""	""
"9235"	"nonabine"	""	"Synthetic organic"	""	""	""	""	"315661310"	"71885"	""	""	"CHEMBL2106841"	""	""	""	""	"2,2-dimethyl-7-(3-methyloctan-2-yl)-4-pyridin-4-ylchromen-5-ol"	"nonabine"	"BRL-4664"	"CCCCCC(C(c1cc(O)c2c(c1)OC(C=C2c1ccncc1)(C)C)C)C"	"YHUDSHIRWOVVCV-UHFFFAOYSA-N"	"InChI=1S/C25H33NO2/c1-6-7-8-9-17(2)18(3)20-14-22(27)24-21(19-10-12-26-13-11-19)16-25(4,5)28-23(24)15-20/h10-18,27H,6-9H2,1-5H3"	""	""	""
"505"	"(-)-noradrenaline"	""	"Metabolite"	"yes"	""	""	""	"135651527"	"439260"	""	""	"CHEMBL1437"	""	""	""	""	"4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol"	"norepinephrine"	"(-)-norepinephrine|Levarterenol&reg;|noradrenaline"	"NC[C@@H](c1ccc(c(c1)O)O)O"	"SFLSHLFXELFNJZ-QMMMGPOBSA-N"	"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1"	""	""	""
"484"	"noradrenaline"	""	"Metabolite"	""	""	""	""	"135651526"	"951"	""	""	"CHEMBL432"	""	""	""	""	"4-(2-amino-1-hydroxyethyl)benzene-1,2-diol"	""	"norepinephrine"	"NCC(c1ccc(c(c1)O)O)O"	"SFLSHLFXELFNJZ-UHFFFAOYSA-N"	"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2"	""	""	""
"1642"	"nor-binaltorphimine"	""	"Synthetic organic"	""	""	""	""	"135650730"	"5480230"	""	""	"CHEMBL573214"	""	""	""	""	""	""	"nor-bni|norbinaltorphimine"	"Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1[nH]c1c2C[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O)CC1CC1"	"APSUXPSYBJVPPS-YAUKWVCOSA-N"	"InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1"	""	""	""
"4265"	"nordihydroguiaretic acid"	""	"Natural product"	"yes"	"yes"	""	""	"178101082"	"4534"	""	""	"CHEMBL52"	""	""	""	""	"4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol"	"masoprocol"	"Actinex&reg;|NDGA"	"CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O"	"HCZKYJDFEPMADG-UHFFFAOYSA-N"	"InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3"	""	""	""
"10204"	"norendoxifen"	""	"Synthetic organic"	""	""	""	""	"381118914"	"68037237"	""	""	"CHEMBL2386284"	""	""	""	""	"4-[(~{Z})-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol"	""	"Z-norendoxifen"	"NCCOc1ccc(cc1)/C(=C(\c1ccccc1)/CC)/c1ccc(cc1)O"	"YCQBLTPGQSYLHD-VHXPQNKSSA-N"	"InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23-"	""	""	""
"2880"	"norethisterone"	""	"Synthetic organic"	"yes"	""	""	""	"135650731"	"6230"	""	""	"CHEMBL1162"	""	""	""	""	"(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one"	"norethisterone"	"Micronor&reg;|norethindrone|Noriday&reg;"	"C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12"	"VIKNJXKGJWUCNN-XGXHKTLJSA-N"	"InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1"	""	""	""
"216"	"(+)-norfenfluramine"	""	"Synthetic organic"	""	""	""	""	"135650733"	"9815618"	""	""	"CHEMBL253811"	""	""	""	""	"(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-amine"	""	"(S)-norfenfluramine"	"C[C@@H](Cc1cccc(c1)C(F)(F)F)N"	"MLBHFBKZUPLWBD-ZETCQYMHSA-N"	"InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m0/s1"	""	""	""
"217"	"(-)-norfenfluramine"	""	"Synthetic organic"	""	""	""	""	"135650732"	"12895728"	""	""	"CHEMBL250881"	""	""	""	""	"(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine"	""	""	"C[C@H](Cc1cccc(c1)C(F)(F)F)N"	"MLBHFBKZUPLWBD-SSDOTTSWSA-N"	"InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m1/s1"	""	""	""
"215"	"norfenfluramine"	""	"Synthetic organic"	""	""	""	""	"135650839"	"15897"	""	""	"CHEMBL1979333"	""	""	""	""	"1-[3-(trifluoromethyl)phenyl]propan-2-amine"	""	"(&plusmn;)-norfenfluramine"	"CC(Cc1cccc(c1)C(F)(F)F)N"	"MLBHFBKZUPLWBD-UHFFFAOYSA-N"	"InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3"	""	""	""
"12408"	"norfloxacin"	""	"Synthetic organic"	"yes"	""	""	""	"479821199"	"4539"	""	""	"CHEMBL9"	""	""	""	""	"1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid"	"norfloxacin"	"AM-715|Chibroxin&reg;|MK-0366|Noroxin&reg;"	"CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O"	"OGJPXUAPXNRGGI-UHFFFAOYSA-N"	"InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)"	""	""	"yes"
"208"	"norfluoxetine"	""	"Synthetic organic"	""	""	""	""	"135650734"	"4541"	""	""	"CHEMBL1494"	""	""	""	""	"3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine"	""	""	"NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F"	"WIQRCHMSJFFONW-UHFFFAOYSA-N"	"InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2"	""	""	""
"7091"	"norgestimate"	""	"Synthetic organic"	"yes"	""	""	""	"178103669"	"6540478"	""	""	"CHEMBL1200934"	""	""	""	""	"[(3E,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate"	"norgestimate"	"dexnorgestrel|ORF-10131|RWJ-10131"	"O/N=C/1\CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C#C)OC(=O)C)CC"	"KIQQMECNKUGGKA-NMYWJIRASA-N"	"InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1"	""	""	""
"6643"	"normetanephrine"	""	"Metabolite"	""	""	""	""	"178103256"	"1237"	""	""	"CHEMBL774"	""	""	""	""	"4-(2-Amino-1-hydroxyethyl)-2-methoxyphenol"	""	""	"NCC(c1ccc(c(c1)OC)O)O"	"YNYAYWLBAHXHLL-UHFFFAOYSA-N"	"InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3"	""	""	""
"1630"	"normorphine"	""	"Synthetic organic"	""	""	""	""	"135650735"	"5462508"	""	""	"CHEMBL1227"	""	""	""	""	"4R,4aR,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol"	"normorphine"	""	"O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2NCC3)ccc1O"	"ONBWJWYUHXVEJS-ZTYRTETDSA-N"	"InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12-,15-,16-/m0/s1"	""	""	""
"1063"	"norrin"	"Human"	"Peptide"	""	""	""	""	"178100223"	"0"	"Q00604"	"ENSG00000124479"	""	""	""	""	""	""	""	"Norrie disease protein|X-linked exudative vitreoretinopathy 2 protein"	""	""	""	""	""	""
"2947"	"norrin"	"Mouse"	"Peptide"	""	""	""	""	"135651823"	"0"	"P48744"	"ENSMUSG00000040138"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2404"	"nortriptyline"	""	"Synthetic organic"	"yes"	""	""	""	"135650736"	"4543"	""	""	"CHEMBL445"	""	""	""	""	"methyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene]propyl})amine"	"nortriptyline"	"Aventyl&reg;|nortriptyline hydrochloride|Pamelor&reg;"	"CNCCC=C1c2ccccc2CCc2c1cccc2"	"PHVGLTMQBUFIQQ-UHFFFAOYSA-N"	"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3"	""	""	""
"7537"	"norzotepine"	""	"Synthetic organic"	""	""	""	""	"187051838"	"10041551"	""	""	""	""	""	""	""	"2-(8-chlorobenzo[b][1]benzothiepin-6-yl)oxy-N-methylethanamine"	""	""	"CNCCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2"	"OVVBIIBBRZVPAL-UHFFFAOYSA-N"	"InChI=1S/C17H16ClNOS/c1-19-8-9-20-15-10-12-4-2-3-5-16(12)21-17-7-6-13(18)11-14(15)17/h2-7,10-11,19H,8-9H2,1H3"	""	""	""
"10212"	"noscapine"	""	"Natural product"	""	""	""	""	"381744894"	"275196"	""	""	""	""	""	""	""	"(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one"	""	""	"COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1c(OC)c1c(c2)OCO1"	"AKNNEGZIBPJZJG-MSOLQXFVSA-N"	"InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1"	""	""	""
"13157"	"NOSO-502"	""	"Peptide"	""	""	""	""	"491299939"	"121246383"	""	""	""	""	""	""	""	"(Z)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2R)-5-amino-2-[[2-[[(2S)-4-amino-2-[[(2S,3S)-4-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pent-2-enoic acid"	""	""	"C1C[C@H](N(C1)C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@H](CCN)NC(=O)[C@H]([C@H](CN)O)NC(=O)[C@H](CCCCN)N)C(=O)N[C@@H](CC2=CC=CC=C2F)C(=O)N[C@@H](CCCCN)C(=O)N/C(=C\CCN=C(N)N)/C(=O)O"	"JJUNUSUNICLAGV-URDXWPNVSA-N"	"InChI=1S/C47H80FN17O11/c48-28-11-2-1-10-27(28)24-34(42(71)60-30(13-4-6-19-50)41(70)62-33(46(75)76)15-8-22-57-47(55)56)63-43(72)35-16-9-23-65(35)45(74)32(14-7-20-51)59-37(67)26-58-40(69)31(17-21-52)61-44(73)38(36(66)25-53)64-39(68)29(54)12-3-5-18-49/h1-2,10-11,15,29-32,34-36,38,66H,3-9,12-14,16-26,49-54H2,(H,58,69)(H,59,67)(H,60,71)(H,61,73)(H,62,70)(H,63,72)(H,64,68)(H,75,76)(H4,55,56,57)/b33-15-/t29-,30-,31-,32+,34-,35-,36-,38-/m0/s1"	""	""	"yes"
"14329"	"Notoginsenoside-Fa"	""	"Natural product"	""	""	""	""	"523352121"	"75054973"	""	""	""	""	""	""	""	"2-[[6-[2-[3-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol"	""	"Noto-Fa"	"CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(CO7)O)O)O)C)C)O)C)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)C"	"HERICYNRBVMDFO-UHFFFAOYSA-N"	"InChI=1S/C59H100O27/c1-24(2)10-9-14-59(8,86-52-47(76)42(71)40(69)31(82-52)23-78-50-46(75)41(70)37(66)28(19-60)79-50)25-11-16-58(7)35(25)26(63)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)83-53-48(43(72)38(67)29(20-61)80-53)85-54-49(44(73)39(68)30(21-62)81-54)84-51-45(74)36(65)27(64)22-77-51/h10,25-54,60-76H,9,11-23H2,1-8H3"	""	""	""
"12131"	"novclobiocin 101"	""	"Natural product"	""	""	""	""	"472319253"	"72715423"	""	""	""	""	""	""	""	"[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate"	""	""	"Cc1ccc([nH]1)C(=O)O[C@H]1[C@H]([C@@H](OC([C@@H]1OC)(C)C)Oc1cc2c(cc1)c(c(c(=O)o2)NC(=O)c1cc(c(cc1)O)CC=C(C)C)O)O"	"GMMYCBAAMDJSHV-YQQRZDPSSA-N"	"InChI=1S/C35H38N2O11/c1-17(2)7-9-19-15-20(10-14-24(19)38)31(41)37-26-27(39)22-12-11-21(16-25(22)46-33(26)43)45-34-28(40)29(30(44-6)35(4,5)48-34)47-32(42)23-13-8-18(3)36-23/h7-8,10-16,28-30,34,36,38-40H,9H2,1-6H3,(H,37,41)/t28-,29+,30-,34-/m1/s1"	""	""	"yes"
"12021"	"novobiocin"	""	"Natural product"	"yes"	"yes"	""	""	"464244162"	"54675769"	""	""	"CHEMBL36506"	""	""	""	""	"[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate"	"novobiocin"	"Albamycin&reg;|cardelmycin|cathomycin|PA 93|streptonivicin"	"Cc1c(ccc2c1oc(=O)c(c2O)NC(=O)c1cc(c(cc1)O)CC=C(C)C)O[C@H]1[C@@H]([C@@H]([C@H](C(O1)(C)C)OC)OC(=O)N)O"	"YJQPYGGHQPGBLI-KGSXXDOSSA-N"	"InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1"	""	""	"yes"
"6893"	"novokinin"	""	"Peptide"	""	""	""	""	"178103475"	"9987879"	""	""	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"	"WCJSVACAALWGRF-LQPYQXOBSA-N"	"InChI=1S/C39H61N11O7/c1-23(2)20-29(47-34(52)31-14-8-18-49(31)36(54)26(41)11-7-17-44-39(42)43)33(51)46-28(13-5-6-16-40)37(55)50-19-9-15-32(50)35(53)48-30(38(56)57)21-24-22-45-27-12-4-3-10-25(24)27/h3-4,10,12,22-23,26,28-32,45H,5-9,11,13-21,40-41H2,1-2H3,(H,46,51)(H,47,52)(H,48,53)(H,56,57)(H4,42,43,44)/t26-,28-,29-,30-,31-,32-/m0/s1"	""	""	""
"12944"	"NOX-6-18"	""	"Synthetic organic"	""	""	""	""	"485206065"	"4319354"	""	""	""	""	""	""	""	"3-methyl-5-(2-phenylethylsulfamoyl)-1-benzofuran-2-carboxylic acid"	""	""	"CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)C(O)=O"	"XFMCZHXUAWBOAL-UHFFFAOYSA-N"	"InChI=1S/C18H17NO5S/c1-12-15-11-14(7-8-16(15)24-17(12)18(20)21)25(22,23)19-10-9-13-5-3-2-4-6-13/h2-8,11,19H,9-10H2,1H3,(H,20,21)"	""	""	""
"12945"	"NOX-6-7"	""	"Synthetic organic"	""	""	""	""	"485206066"	"168654812"	""	""	""	""	""	""	""	"3-methyl-5-(4-oxo-4-phenylbutanamido)-1-benzofuran-2-carboxylic acid"	""	""	"CC1=C(OC2=C1C=C(NC(=O)CCC(=O)C3=CC=CC=C3)C=C2)C(O)=O"	"ZXQOBDSXROLOQK-UHFFFAOYSA-N"	"InChI=1S/C20H17NO5/c1-12-15-11-14(7-9-17(15)26-19(12)20(24)25)21-18(23)10-8-16(22)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,21,23)(H,24,25)"	""	""	""
"2552"	"noxiustoxin"	""	"Peptide"	""	""	""	""	"135652335"	"0"	"P08815"	""	""	""	""	""	""	""	""	"NTx|potassium channel toxin &alpha;-KTx 2.1|Toxin II.11"	""	""	""	""	""	""
"13847"	"NP10679"	""	"Synthetic organic"	"yes"	""	""	""	"513757532"	"162623707"	""	""	"CHEMBL5095254"	""	""	""	""	"6-[(2R)-2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one"	""	"NP-10679"	"C1CC(=O)NC2=C1C=C(C=C2)OC[C@@H](CN3CCN(CC3)C4=CC=C(C=C4)C(F)(F)F)O"	"QJKYLYXHWSCZQT-LJQANCHMSA-N"	"InChI=1S/C23H26F3N3O3/c24-23(25,26)17-2-4-18(5-3-17)29-11-9-28(10-12-29)14-19(30)15-32-20-6-7-21-16(13-20)1-8-22(31)27-21/h2-7,13,19,30H,1,8-12,14-15H2,(H,27,31)/t19-/m1/s1"	""	""	""
"7765"	"NP118809"	""	"Synthetic organic"	""	""	""	""	"223366098"	"4988454"	""	""	"CHEMBL604710"	""	""	""	""	"1-[4-[di(phenyl)methyl]piperazin-1-yl]-3,3-di(phenyl)propan-1-one"	""	"NP 118809|NP-118809"	"O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)CC(c1ccccc1)c1ccccc1"	"VCPMZDWBEWTGNW-UHFFFAOYSA-N"	"InChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2"	""	""	""
"12848"	"NP137"	""	"Antibody"	""	""	""	""	"483123396"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11233"	"NP-1815-PX"	""	"Synthetic organic"	""	""	""	""	"434122293"	"57336054"	""	""	""	""	""	""	""	"5-[3-(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione"	""	""	"O=C1CC(=O)N(c2c(N1)c1ccccc1cc2)c1cccc(c1)c1noc(=S)[nH]1"	"BNMITFGQPNUZHK-UHFFFAOYSA-N"	"InChI=1S/C21H14N4O3S/c26-17-11-18(27)25(14-6-3-5-13(10-14)20-23-21(29)28-24-20)16-9-8-12-4-1-2-7-15(12)19(16)22-17/h1-10H,11H2,(H,22,26)(H,23,24,29)"	""	""	""
"13645"	"NP3-253"	""	"Synthetic organic"	""	""	""	""	"504705464"	"155284649"	""	""	""	""	""	""	""	"2-[6-[[(3R)-1-ethylpiperidin-3-yl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol"	""	"compound 16 [PMID: 39574318]|NP3253"	"CCN1CCC[C@H](C1)NC2=CC=C(N=N2)C3=C(O)C=C(C=C3C)C(F)(F)F"	"UVVZGYXCKGWWCC-CQSZACIVSA-N"	"InChI=1S/C19H23F3N4O/c1-3-26-8-4-5-14(11-26)23-17-7-6-15(24-25-17)18-12(2)9-13(10-16(18)27)19(20,21)22/h6-7,9-10,14,27H,3-5,8,11H2,1-2H3,(H,23,25)/t14-/m1/s1"	"yes"	""	""
"14247"	"NP3-742"	""	"Synthetic organic"	""	""	""	""	"521588887"	"162679554"	""	""	"CHEMBL5499704"	""	""	""	""	"5-methyl-6-{2-methyl-1H-pyrrolo[2,3-b]pyridin-6-yl}-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine"	""	""	"CN1CCC[C@H](C1)NC2=NN=C(C(C)=C2)C3=CC=C4C=C(C)NC4=N3"	"HNZKLSSKFNXSQZ-OAHLLOKOSA-N"	"InChI=1S/C19H24N6/c1-12-9-17(21-15-5-4-8-25(3)11-15)23-24-18(12)16-7-6-14-10-13(2)20-19(14)22-16/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,20,22)(H,21,23)/t15-/m1/s1"	"yes"	""	""
"3622"	"N-palmitoylethanolamine"	""	"Metabolite"	""	""	""	""	"178100539"	"4671"	""	""	"CHEMBL417675"	""	""	""	""	"N-(2-Hydroxyethyl)hexadecanamide"	"palmidrol"	"palmitamide MEA|palmitoyl-EA|PEA"	"CCCCCCCCCCCCCCCC(=O)NCCO"	"HXYVTAGFYLMHSO-UHFFFAOYSA-N"	"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)"	""	""	""
"10393"	"NPC1161B"	""	"Synthetic organic"	""	""	""	""	"384403672"	"16126827"	""	""	"CHEMBL1739268"	""	""	""	""	"(4R)-N-[5-(3,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-yl]pentane-1,4-diamine"	""	"NPC-1161B"	"NCCC[C@H](Nc1cc(OC)c(c2c1nccc2C)Oc1ccc(c(c1)Cl)Cl)C"	"UEFVAUCKVCFRDW-CQSZACIVSA-N"	"InChI=1S/C22H25Cl2N3O2/c1-13-8-10-26-21-18(27-14(2)5-4-9-25)12-19(28-3)22(20(13)21)29-15-6-7-16(23)17(24)11-15/h6-8,10-12,14,27H,4-5,9,25H2,1-3H3/t14-/m1/s1"	""	"yes"	""
"657"	"NPC 17731"	""	"Peptide"	""	""	""	""	"135652337"	"3081308"	""	""	""	""	""	""	""	"(2S,4S)-2-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]-[(2R,4S)-4-propoxypyrrolidine-2-carbonyl]amino]-2-[1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidin-2-yl]-4-(diaminomethylideneamino)-1-oxobutan-2-yl]-5-hydroxy-4-[[(2S)-2-[[2-[[(2S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopentanoic acid"	""	"<small>D</small>-Arg[Hyp<sup>3</sup>,trans-4-propoxy-<small>D</small>-proline(transpropyl)<sup>7</sup>,Oic<sup>8</sup>]bradykinin|NPC-17731|NPC17731"	"CCCO[C@@H]1CN[C@H](C1)C(=O)N([C@@](C(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](CCCN=C(N)N)N)CCCN=C(N)N)CCN=C(N)N)(C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1NCC(C1)O)CO)C(=O)O)C(=O)C1N[C@@H]2[C@H](C1)CCCC2"	"WYWZCALINPVKJW-KOCZGPIPSA-N"	"InChI=1S/C59H95N19O14/c1-2-23-92-35-27-42(71-29-35)53(88)78(54(89)43-25-33-13-6-7-15-38(33)73-43)59(55(90)91,48(83)44(31-79)76-51(86)41(24-32-11-4-3-5-12-32)74-46(81)30-72-50(85)40-26-34(80)28-70-40)36(18-21-69-58(65)66)47(82)45-17-10-22-77(45)52(87)39(16-9-20-68-57(63)64)75-49(84)37(60)14-8-19-67-56(61)62/h3-5,11-12,33-45,70-71,73,79-80H,2,6-10,13-31,60H2,1H3,(H,72,85)(H,74,81)(H,75,84)(H,76,86)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,34?,35-,36?,37+,38-,39-,40-,41-,42+,43?,44-,45-,59-/m0/s1"	""	""	""
"658"	"NPC 18565"	""	"Peptide"	""	""	""	""	"135652338"	"0"	""	""	""	""	""	""	""	""	""	"[<small>D</small>-Arg(Hyp<sup>3</sup>,<small>D</small>-Hyp<sup>7</sup>(transpropyl),Oic<sup>8</sup>)des-Arg<sup>9</sup>]bradykinin|des-Arg<sup>9</sup> fragment of NPC 17731|NPC-18565|NPC18565"	""	""	""	""	""	""
"675"	"NPC-349"	""	"Peptide"	""	""	""	""	"135652339"	"123973"	""	""	""	""	""	""	""	"(2R)-3-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)-2-[2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pentanoic acid"	""	"[<small>D</small>-Arg<sup>0</sup>,Hyp<sup>2,3</sup>,Thi<sup>5,8</sup>,D-Phe<sup>7</sup>]bradykinin|NPC 349"	"OC[C@@H](C(=O)N[C@@H](C(=O)N([C@](C(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](CCCN=C(N)N)N)CCCN=C(N)N)CCN=C(N)N)(C(=O)CNC(=O)[C@H]1NC[C@@H](C1)O)C(=O)O)C(=O)[C@H](Cc1cccs1)N)Cc1ccccc1)NC(=O)[C@H](Cc1cccs1)N"	"MHBUKMPYIGAURU-WIDHDRDXSA-N"	"InChI=1S/C56H83N19O13S2/c57-35(13-4-17-66-53(60)61)45(80)71-38(14-5-18-67-54(62)63)50(85)74-20-6-15-42(74)44(79)34(16-19-68-55(64)65)56(52(87)88,43(78)28-70-47(82)39-24-31(77)27-69-39)75(49(84)37(59)26-33-12-8-22-90-33)51(86)40(23-30-9-2-1-3-10-30)72-48(83)41(29-76)73-46(81)36(58)25-32-11-7-21-89-32/h1-3,7-12,21-22,31,34-42,69,76-77H,4-6,13-20,23-29,57-59H2,(H,70,82)(H,71,80)(H,72,83)(H,73,81)(H,87,88)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t31-,34?,35-,36+,37+,38+,39+,40-,41+,42+,56-/m1/s1"	""	""	""
"676"	"NPC-567"	""	"Peptide"	""	""	""	""	"135652340"	"119343"	""	""	"CHEMBL446325"	""	""	""	""	"(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid"	""	"[<small>D</small>-Arg<sup>0</sup>,Hyp<sup>3</sup>,<small>D</small>-Phe<sup>7</sup>]bradykinin|BIM 31006|NPC 567"	"OC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)Cc1ccccc1)Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](CCCN=C(N)N)N)CCCN=C(N)N)O"	"RBIXVHPHNGXTCI-QJTYZATASA-N"	"InChI=1S/C60H87N19O13/c61-39(20-10-24-68-58(62)63)49(83)73-40(21-11-25-69-59(64)65)55(89)78-27-13-23-46(78)56(90)79-33-38(81)31-47(79)54(88)71-32-48(82)72-42(28-35-14-4-1-5-15-35)50(84)77-45(34-80)53(87)76-44(30-37-18-8-3-9-19-37)52(86)75-43(29-36-16-6-2-7-17-36)51(85)74-41(57(91)92)22-12-26-70-60(66)67/h1-9,14-19,38-47,80-81H,10-13,20-34,61H2,(H,71,88)(H,72,82)(H,73,83)(H,74,85)(H,75,86)(H,76,87)(H,77,84)(H,91,92)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t38-,39-,40+,41+,42+,43+,44-,45+,46+,47+/m1/s1"	""	""	""
"1695"	"[Nphe<sup>1</sup>]N/OFQ-(1-13)-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"135652341"	"0"	""	""	""	""	""	""	""	""	""	"[Nphe<sup>1</sup>]nociceptin(1-13)NH<sub>2</sub>|[Nphe<sup>1</sup>]nociceptin/orphanin FQ(1-13)NH<sub>2</sub>|[Nphe<sup>1</sup>]orphanin FQ(1-13)NH<sub>2</sub>"	""	""	""	""	""	""
"969"	"(-)-N-porphynorapomorphine"	""	"Synthetic organic"	""	""	""	""	"135650738"	"167715"	""	""	"CHEMBL225230"	""	""	""	""	"(9R)-10-propyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,13,15-hexaene-3,4-diol"	""	"(-)-<i>N</i>-porphynorapomorphine|n-propylapomorphine"	"CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O"	"BTGAJCKRXPNBFI-OAHLLOKOSA-N"	"InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1"	""	""	""
"4270"	"NPPB"	""	"Synthetic organic"	""	""	""	""	"178101087"	"4549"	""	""	"CHEMBL1256759"	""	""	""	""	"5-nitro-2-[(3-phenylpropyl)amino]benzoic acid"	""	"HOE 144|HOE-144"	"OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+](=O)[O-]"	"WBSMIPAMAXNXFS-UHFFFAOYSA-N"	"InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)"	""	""	""
"934"	"N-propylnorapomorphine"	""	"Synthetic organic"	""	""	""	""	"135650737"	"30137"	""	""	""	""	""	""	""	"10-propyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,13,15-hexaene-3,4-diol"	""	"NPA"	"CCCN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O"	"BTGAJCKRXPNBFI-UHFFFAOYSA-N"	"InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3"	""	""	""
"716"	"NPS 2143"	""	"Synthetic organic"	""	""	""	""	"135650739"	"6918446"	""	""	"CHEMBL180672"	""	""	""	""	"2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile"	""	"NPS-2143|NPS2143"	"N#Cc1c(cccc1Cl)OC[C@@H](CNC(Cc1ccc2c(c1)cccc2)(C)C)O"	"PZUJQWHTIRWCID-HXUWFJFHSA-N"	"InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1"	""	""	"yes"
"1384"	"NPS2390"	""	"Synthetic organic"	""	""	""	""	"135650740"	"7067728"	""	""	"CHEMBL399160"	""	""	""	""	"N-(1-adamantyl)quinoxaline-2-carboxamide"	""	"NPS 2390|NPS-239"	"O=C(c1cnc2c(n1)cccc2)NC12CC3CC(C2)CC(C1)C3"	"ZKFVOZCCAXQXBU-UHFFFAOYSA-N"	"InChI=1S/C19H21N3O/c23-18(17-11-20-15-3-1-2-4-16(15)21-17)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,22,23)"	""	""	""
"13271"	"NPT520-34"	""	"Synthetic organic"	""	""	""	""	"491300053"	"139507438"	""	""	""	""	""	""	""	"4-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-1H-1,2,4-triazole-5-thione"	""	"compound 1 [WO2019246454]"	"FC(F)(F)C1=C(Cl)C=CC(=C1)S(=O)(=O)C2=CC=C(C=C2)N3C=NNC3=S"	"BJWHWZOMLHXKPF-UHFFFAOYSA-N"	"InChI=1S/C15H9ClF3N3O2S2/c16-13-6-5-11(7-12(13)15(17,18)19)26(23,24)10-3-1-9(2-4-10)22-8-20-21-14(22)25/h1-8H,(H,21,25)"	"yes"	""	""
"4601"	"NPTS"	""	"Synthetic organic"	""	""	""	""	"178101321"	"11998193"	""	""	"CHEMBL23390"	""	""	""	""	"2-[methyl-[3-[4-(4-methylbenzoyl)phenoxy]-3-phenylpropyl]amino]acetic acid"	""	"(N-[3-phenyl-3-(4'-(4-toluoyl) phenoxy)propyl]sarcosine"	"CN(CC(=O)O)CCC(c1ccccc1)Oc1ccc(cc1)C(=O)c1ccc(cc1)C"	"HNBKNDFZJLEZLZ-UHFFFAOYSA-N"	"InChI=1S/C26H27NO4/c1-19-8-10-21(11-9-19)26(30)22-12-14-23(15-13-22)31-24(20-6-4-3-5-7-20)16-17-27(2)18-25(28)29/h3-15,24H,16-18H2,1-2H3,(H,28,29)"	""	""	""
"1505"	"NPY"	"Pig"	"Peptide"	""	""	""	""	"135652342"	"0"	"P01304"	""	""	""	""	""	""	""	""	"porcine neuropeptide Y"	""	""	""	""	""	""
"3903"	"NPY-(13-36)"	""	"Peptide"	""	""	""	""	"178100737"	"134813886"	""	""	""	""	""	""	""	""	""	"neuropeptide Y (13-36)"	"CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)[C@H](O)C)[C@H](CC)C)CC(C)C)CC(=O)N)[C@H](CC)C)Cc1ccc(cc1)O)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)C)CO)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C)CCC(=O)O)CC(=O)O"	"WNYKZOWMSHGMPJ-YGPTWXQHSA-N"	"InChI=1S/C134H206N40O37S/c1-14-67(7)104(127(207)169-96(60-101(136)182)122(202)163-91(54-66(5)6)124(204)173-105(68(8)15-2)128(208)174-106(72(12)176)129(209)161-86(25-20-51-150-134(143)144)112(192)159-87(42-44-100(135)181)116(196)157-85(24-19-50-149-133(141)142)115(195)170-98(130(210)211)58-76-32-40-81(180)41-33-76)172-125(205)94(57-75-30-38-80(179)39-31-75)166-121(201)95(59-77-62-145-64-151-77)167-114(194)84(23-18-49-148-132(139)140)158-118(198)90(53-65(3)4)162-109(189)71(11)154-126(206)99(63-175)171-120(200)93(56-74-28-36-79(178)37-29-74)165-119(199)92(55-73-26-34-78(177)35-27-73)164-113(193)83(22-17-48-147-131(137)138)155-107(187)70(10)153-111(191)89(46-52-212-13)160-123(203)97(61-103(185)186)168-117(197)88(43-45-102(183)184)156-108(188)69(9)152-110(190)82-21-16-47-146-82/h26-41,62,64-72,82-99,104-106,146,175-180H,14-25,42-61,63H2,1-13H3,(H2,135,181)(H2,136,182)(H,145,151)(H,152,190)(H,153,191)(H,154,206)(H,155,187)(H,156,188)(H,157,196)(H,158,198)(H,159,192)(H,160,203)(H,161,209)(H,162,189)(H,163,202)(H,164,193)(H,165,199)(H,166,201)(H,167,194)(H,168,197)(H,169,207)(H,170,195)(H,171,200)(H,172,205)(H,173,204)(H,174,208)(H,183,184)(H,185,186)(H,210,211)(H4,137,138,147)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)/t67-,68-,69-,70-,71-,72+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,104-,105-,106-/m0/s1"	""	""	""
"1535"	"NPY-(13-36) (human)"	""	"Peptide"	""	""	""	""	"135652344"	"134813886"	""	""	""	""	""	""	""	""	""	"human neuropeptide Y (13-36)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC"	"WNYKZOWMSHGMPJ-YGPTWXQHSA-N"	"InChI=1S/C134H206N40O37S/c1-14-67(7)104(127(207)169-96(60-101(136)182)122(202)163-91(54-66(5)6)124(204)173-105(68(8)15-2)128(208)174-106(72(12)176)129(209)161-86(25-20-51-150-134(143)144)112(192)159-87(42-44-100(135)181)116(196)157-85(24-19-50-149-133(141)142)115(195)170-98(130(210)211)58-76-32-40-81(180)41-33-76)172-125(205)94(57-75-30-38-80(179)39-31-75)166-121(201)95(59-77-62-145-64-151-77)167-114(194)84(23-18-49-148-132(139)140)158-118(198)90(53-65(3)4)162-109(189)71(11)154-126(206)99(63-175)171-120(200)93(56-74-28-36-79(178)37-29-74)165-119(199)92(55-73-26-34-78(177)35-27-73)164-113(193)83(22-17-48-147-131(137)138)155-107(187)70(10)153-111(191)89(46-52-212-13)160-123(203)97(61-103(185)186)168-117(197)88(43-45-102(183)184)156-108(188)69(9)152-110(190)82-21-16-47-146-82/h26-41,62,64-72,82-99,104-106,146,175-180H,14-25,42-61,63H2,1-13H3,(H2,135,181)(H2,136,182)(H,145,151)(H,152,190)(H,153,191)(H,154,206)(H,155,187)(H,156,188)(H,157,196)(H,158,198)(H,159,192)(H,160,203)(H,161,209)(H,162,189)(H,163,202)(H,164,193)(H,165,199)(H,166,201)(H,167,194)(H,168,197)(H,169,207)(H,170,195)(H,171,200)(H,172,205)(H,173,204)(H,174,208)(H,183,184)(H,185,186)(H,210,211)(H4,137,138,147)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)/t67-,68-,69-,70-,71-,72+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,104-,105-,106-/m0/s1"	""	""	""
"1507"	"NPY-(13-36) (pig)"	""	"Peptide"	""	""	""	""	"135652345"	"44351001"	""	""	""	""	""	""	""	""	""	"porcine neuropeptide Y (13-36)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC"	"BJKPGURDHQQYOX-QGTLAHJGSA-N"	"InChI=1S/C135H208N40O37/c1-15-68(9)105(128(208)170-97(60-102(137)183)123(203)164-92(54-67(7)8)125(205)174-106(69(10)16-2)129(209)175-107(73(14)177)130(210)161-87(26-21-51-151-135(144)145)112(192)160-88(43-45-101(136)182)116(196)158-86(25-20-50-150-134(142)143)115(195)171-99(131(211)212)58-77-33-41-82(181)42-34-77)173-126(206)95(57-76-31-39-81(180)40-32-76)167-122(202)96(59-78-62-146-64-152-78)168-114(194)85(24-19-49-149-133(140)141)159-119(199)91(53-66(5)6)162-110(190)72(13)155-127(207)100(63-176)172-121(201)94(56-75-29-37-80(179)38-30-75)166-120(200)93(55-74-27-35-79(178)36-28-74)165-113(193)84(23-18-48-148-132(138)139)156-108(188)71(12)154-118(198)90(52-65(3)4)163-124(204)98(61-104(186)187)169-117(197)89(44-46-103(184)185)157-109(189)70(11)153-111(191)83-22-17-47-147-83/h27-42,62,64-73,83-100,105-107,147,176-181H,15-26,43-61,63H2,1-14H3,(H2,136,182)(H2,137,183)(H,146,152)(H,153,191)(H,154,198)(H,155,207)(H,156,188)(H,157,189)(H,158,196)(H,159,199)(H,160,192)(H,161,210)(H,162,190)(H,163,204)(H,164,203)(H,165,193)(H,166,200)(H,167,202)(H,168,194)(H,169,197)(H,170,208)(H,171,195)(H,172,201)(H,173,206)(H,174,205)(H,175,209)(H,184,185)(H,186,187)(H,211,212)(H4,138,139,148)(H4,140,141,149)(H4,142,143,150)(H4,144,145,151)/t68-,69-,70-,71-,72-,73+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,105-,106-,107-/m0/s1"	""	""	""
"1536"	"NPY-(16-36) (pig)"	""	"Peptide"	""	""	""	""	"135652346"	"155817419"	""	""	""	""	""	""	""	""	""	"porcine neuropeptide Y (16-36)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC"	"MFPLULVWBOUSAT-LJPWCPOGSA-N"	"InChI=1S/C122H189N37O32/c1-14-62(9)95(115(187)154-89(55-93(125)167)111(183)149-84(48-61(7)8)112(184)158-96(63(10)15-2)116(188)159-97(66(13)161)117(189)146-80(23-19-45-138-122(132)133)101(173)145-81(40-41-92(124)166)105(177)143-79(22-18-44-137-121(130)131)104(176)155-90(118(190)191)52-70-30-38-75(165)39-31-70)157-113(185)87(51-69-28-36-74(164)37-29-69)152-110(182)88(53-71-56-134-58-139-71)153-103(175)78(21-17-43-136-120(128)129)144-107(179)83(47-60(5)6)147-99(171)65(12)141-114(186)91(57-160)156-109(181)86(50-68-26-34-73(163)35-27-68)151-108(180)85(49-67-24-32-72(162)33-25-67)150-102(174)77(20-16-42-135-119(126)127)142-98(170)64(11)140-106(178)82(46-59(3)4)148-100(172)76(123)54-94(168)169/h24-39,56,58-66,76-91,95-97,160-165H,14-23,40-55,57,123H2,1-13H3,(H2,124,166)(H2,125,167)(H,134,139)(H,140,178)(H,141,186)(H,142,170)(H,143,177)(H,144,179)(H,145,173)(H,146,189)(H,147,171)(H,148,172)(H,149,183)(H,150,174)(H,151,180)(H,152,182)(H,153,175)(H,154,187)(H,155,176)(H,156,181)(H,157,185)(H,158,184)(H,159,188)(H,168,169)(H,190,191)(H4,126,127,135)(H4,128,129,136)(H4,130,131,137)(H4,132,133,138)/t62-,63-,64-,65-,66+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,95-,96-,97-/m0/s1"	""	""	""
"1557"	"NPY-(18-36) (human, pig)"	""	"Peptide"	""	""	""	""	"135652347"	"44328226"	""	""	""	""	""	""	""	""	""	"human neuropeptide Y (18-36)|porcine neuropeptide Y (18-36)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC"	"YRPHNBYJNXIEMP-RRMDRAMYSA-N"	"InChI=1S/C112H173N35O28/c1-12-57(7)87(105(171)142-82(51-86(115)155)101(167)137-77(45-56(5)6)102(168)146-88(58(8)13-2)106(172)147-89(61(11)149)107(173)135-74(21-17-43-128-112(122)123)92(158)134-75(38-39-85(114)154)96(162)132-73(20-16-42-127-111(120)121)95(161)143-83(108(174)175)49-65-28-36-70(153)37-29-65)145-103(169)80(48-64-26-34-69(152)35-27-64)140-100(166)81(50-66-52-124-54-129-66)141-94(160)72(19-15-41-126-110(118)119)133-97(163)76(44-55(3)4)136-91(157)60(10)130-104(170)84(53-148)144-99(165)79(47-63-24-32-68(151)33-25-63)139-98(164)78(46-62-22-30-67(150)31-23-62)138-93(159)71(131-90(156)59(9)113)18-14-40-125-109(116)117/h22-37,52,54-61,71-84,87-89,148-153H,12-21,38-51,53,113H2,1-11H3,(H2,114,154)(H2,115,155)(H,124,129)(H,130,170)(H,131,156)(H,132,162)(H,133,163)(H,134,158)(H,135,173)(H,136,157)(H,137,167)(H,138,159)(H,139,164)(H,140,166)(H,141,160)(H,142,171)(H,143,161)(H,144,165)(H,145,169)(H,146,168)(H,147,172)(H,174,175)(H4,116,117,125)(H4,118,119,126)(H4,120,121,127)(H4,122,123,128)/t57-,58-,59-,60-,61+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1"	""	""	""
"1538"	"NPY-(20-36) (pig)"	""	"Peptide"	""	""	""	""	"135652348"	"155817420"	""	""	""	""	""	""	""	""	""	"porcine neuropeptide Y (20-36)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC"	"XFZMLFVKLYDVQS-DNSVIXQOSA-N"	"InChI=1S/C103H156N30O26/c1-11-53(7)81(97(155)128-76(47-80(106)141)93(151)125-72(41-52(5)6)94(152)132-82(54(8)12-2)98(156)133-83(56(10)135)99(157)122-69(18-15-39-116-103(111)112)86(144)121-70(35-36-79(105)140)89(147)119-68(17-14-38-115-102(109)110)88(146)129-77(100(158)159)45-60-25-33-65(139)34-26-60)131-95(153)74(44-59-23-31-64(138)32-24-59)126-92(150)75(46-61-48-113-50-117-61)127-87(145)67(16-13-37-114-101(107)108)120-90(148)71(40-51(3)4)123-84(142)55(9)118-96(154)78(49-134)130-91(149)73(43-58-21-29-63(137)30-22-58)124-85(143)66(104)42-57-19-27-62(136)28-20-57/h19-34,48,50-56,66-78,81-83,134-139H,11-18,35-47,49,104H2,1-10H3,(H2,105,140)(H2,106,141)(H,113,117)(H,118,154)(H,119,147)(H,120,148)(H,121,144)(H,122,157)(H,123,142)(H,124,143)(H,125,151)(H,126,150)(H,127,145)(H,128,155)(H,129,146)(H,130,149)(H,131,153)(H,132,152)(H,133,156)(H,158,159)(H4,107,108,114)(H4,109,110,115)(H4,111,112,116)/t53-,54-,55-,56+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,81-,82-,83-/m0/s1"	""	""	""
"1539"	"NPY-(22-36) (pig)"	""	"Peptide"	""	""	""	""	"135652349"	"44265059"	""	""	""	""	""	""	""	""	""	"porcine neuropeptide Y (22-36)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC"	"RJIICOGGNWIKON-PIJSUOSGSA-N"	"InChI=1S/C85H138N28O22/c1-11-43(7)65(111-78(130)59(34-47-19-23-50(116)24-20-47)107-75(127)60(36-49-38-95-40-99-49)108-71(123)53(16-13-29-96-83(89)90)102-74(126)57(32-41(3)4)105-68(120)45(9)100-69(121)52(86)39-114)79(131)109-61(37-64(88)119)76(128)106-58(33-42(5)6)77(129)112-66(44(8)12-2)80(132)113-67(46(10)115)81(133)104-55(18-15-31-98-85(93)94)70(122)103-56(27-28-63(87)118)73(125)101-54(17-14-30-97-84(91)92)72(124)110-62(82(134)135)35-48-21-25-51(117)26-22-48/h19-26,38,40-46,52-62,65-67,114-117H,11-18,27-37,39,86H2,1-10H3,(H2,87,118)(H2,88,119)(H,95,99)(H,100,121)(H,101,125)(H,102,126)(H,103,122)(H,104,133)(H,105,120)(H,106,128)(H,107,127)(H,108,123)(H,109,131)(H,110,124)(H,111,130)(H,112,129)(H,113,132)(H,134,135)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t43-,44-,45-,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67-/m0/s1"	""	""	""
"1549"	"NPY-(2-36)"	""	"Peptide"	""	""	""	""	"135652350"	"155817422"	""	""	""	""	""	""	""	""	""	"neuropeptide Y (2-36)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC"	"KUMVUFICIDUBDZ-ZVYVYBDNSA-N"	"InChI=1S/C180H275N53O56S/c1-15-88(7)140(170(282)223-120(76-132(183)242)160(272)215-115(70-87(5)6)163(275)229-141(89(8)16-2)171(283)230-142(94(13)236)172(284)212-108(32-23-64-198-180(191)192)148(260)210-110(52-55-131(182)241)153(265)208-107(31-22-63-197-179(189)190)151(263)225-125(176(288)289)74-98-42-50-103(240)51-43-98)228-164(276)118(73-97-40-48-102(239)49-41-97)218-159(271)119(75-99-81-193-85-200-99)219-150(262)106(30-21-62-196-178(187)188)209-156(268)114(69-86(3)4)214-145(257)91(10)202-165(277)126(83-234)227-158(270)117(72-96-38-46-101(238)47-39-96)217-157(269)116(71-95-36-44-100(237)45-37-95)216-149(261)105(29-20-61-195-177(185)186)206-143(255)90(9)201-147(259)112(58-68-290-14)211-161(273)122(79-138(251)252)221-154(266)111(54-57-136(247)248)207-144(256)92(11)203-168(280)129-34-25-65-231(129)173(285)93(12)204-155(267)121(78-137(249)250)220-152(264)109(53-56-135(245)246)205-134(244)82-199-167(279)128-33-24-66-232(128)175(287)124(77-133(184)243)224-162(274)123(80-139(253)254)222-169(281)130-35-26-67-233(130)174(286)113(27-17-18-59-181)213-166(278)127(84-235)226-146(258)104-28-19-60-194-104/h36-51,81,85-94,104-130,140-142,194,234-240H,15-35,52-80,82-84,181H2,1-14H3,(H2,182,241)(H2,183,242)(H2,184,243)(H,193,200)(H,199,279)(H,201,259)(H,202,277)(H,203,280)(H,204,267)(H,205,244)(H,206,255)(H,207,256)(H,208,265)(H,209,268)(H,210,260)(H,211,273)(H,212,284)(H,213,278)(H,214,257)(H,215,272)(H,216,261)(H,217,269)(H,218,271)(H,219,262)(H,220,264)(H,221,266)(H,222,281)(H,223,282)(H,224,274)(H,225,263)(H,226,258)(H,227,270)(H,228,276)(H,229,275)(H,230,283)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,288,289)(H4,185,186,195)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)/t88-,89-,90-,91-,92-,93-,94+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,140-,141-,142-/m0/s1"	""	""	""
"1508"	"NPY-(2-36) (pig)"	""	"Peptide"	""	""	""	""	"135652353"	"155817417"	""	""	""	""	""	""	""	""	""	"porcine neuropeptide Y (2-36)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC"	"GUKLQUDKMJJAKW-XLUSCKSJSA-N"	"InChI=1S/C181H277N53O56/c1-16-89(9)141(171(283)224-121(76-133(184)243)161(273)216-116(70-88(7)8)164(276)230-142(90(10)17-2)172(284)231-143(95(15)237)173(285)212-109(33-24-64-199-181(192)193)148(260)211-111(53-56-132(183)242)153(265)209-108(32-23-63-198-180(190)191)151(263)226-126(177(289)290)74-99-43-51-104(241)52-44-99)229-165(277)119(73-98-41-49-103(240)50-42-98)219-160(272)120(75-100-81-194-85-201-100)220-150(262)107(31-22-62-197-179(188)189)210-157(269)115(69-87(5)6)214-146(258)92(12)203-166(278)127(83-235)228-159(271)118(72-97-39-47-102(239)48-40-97)218-158(270)117(71-96-37-45-101(238)46-38-96)217-149(261)106(30-21-61-196-178(186)187)207-144(256)91(11)202-155(267)114(68-86(3)4)215-162(274)123(79-139(252)253)222-154(266)112(55-58-137(248)249)208-145(257)93(13)204-169(281)130-35-26-65-232(130)174(286)94(14)205-156(268)122(78-138(250)251)221-152(264)110(54-57-136(246)247)206-135(245)82-200-168(280)129-34-25-66-233(129)176(288)125(77-134(185)244)225-163(275)124(80-140(254)255)223-170(282)131-36-27-67-234(131)175(287)113(28-18-19-59-182)213-167(279)128(84-236)227-147(259)105-29-20-60-195-105/h37-52,81,85-95,105-131,141-143,195,235-241H,16-36,53-80,82-84,182H2,1-15H3,(H2,183,242)(H2,184,243)(H2,185,244)(H,194,201)(H,200,280)(H,202,267)(H,203,278)(H,204,281)(H,205,268)(H,206,245)(H,207,256)(H,208,257)(H,209,265)(H,210,269)(H,211,260)(H,212,285)(H,213,279)(H,214,258)(H,215,274)(H,216,273)(H,217,261)(H,218,270)(H,219,272)(H,220,262)(H,221,264)(H,222,266)(H,223,282)(H,224,283)(H,225,275)(H,226,263)(H,227,259)(H,228,271)(H,229,277)(H,230,276)(H,231,284)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,289,290)(H4,186,187,196)(H4,188,189,197)(H4,190,191,198)(H4,192,193,199)/t89-,90-,91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1"	""	""	""
"1540"	"NPY-(26-36) (pig)"	""	"Peptide"	""	""	""	""	"135652355"	"155817421"	""	""	""	""	""	""	""	""	""	"porcine neuropeptide Y (26-36)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC"	"ZPFZDAIKXDRLLT-ANSQDGHYSA-N"	"InChI=1S/C67H105N21O17/c1-8-34(5)52(86-61(100)47(27-37-14-18-40(90)19-15-37)82-55(94)42(68)29-39-31-75-32-78-39)62(101)84-48(30-51(70)93)59(98)83-46(26-33(3)4)60(99)87-53(35(6)9-2)63(102)88-54(36(7)89)64(103)81-44(13-11-25-77-67(73)74)56(95)80-45(22-23-50(69)92)58(97)79-43(12-10-24-76-66(71)72)57(96)85-49(65(104)105)28-38-16-20-41(91)21-17-38/h14-21,31-36,42-49,52-54,89-91H,8-13,22-30,68H2,1-7H3,(H2,69,92)(H2,70,93)(H,75,78)(H,79,97)(H,80,95)(H,81,103)(H,82,94)(H,83,98)(H,84,101)(H,85,96)(H,86,100)(H,87,99)(H,88,102)(H,104,105)(H4,71,72,76)(H4,73,74,77)/t34-,35-,36+,42-,43-,44-,45-,46-,47-,48-,49-,52-,53-,54-/m0/s1"	""	""	""
"1510"	"NPY-(3-36) (pig)"	""	"Peptide"	""	""	""	""	"135652356"	"155817418"	""	""	""	""	""	""	""	""	""	"porcine neuropeptide Y (3-36)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC"	"CDGOTJUJFRUDRO-QJAFYHIKSA-N"	"InChI=1S/C176H270N52O55/c1-16-86(9)137(166(276)219-118(73-129(180)237)157(267)211-113(67-85(7)8)160(270)224-138(87(10)17-2)167(277)225-139(92(15)231)168(278)207-106(31-23-61-194-176(188)189)144(254)206-108(51-54-128(179)236)149(259)204-105(30-22-60-193-175(186)187)147(257)221-123(172(282)283)71-96-41-49-101(235)50-42-96)223-161(271)116(70-95-39-47-100(234)48-40-95)214-156(266)117(72-97-78-190-82-196-97)215-146(256)104(29-21-59-192-174(184)185)205-153(263)112(66-84(5)6)209-142(252)89(12)198-162(272)124(81-230)222-155(265)115(69-94-37-45-99(233)46-38-94)213-154(264)114(68-93-35-43-98(232)44-36-93)212-145(255)103(28-20-58-191-173(182)183)202-140(250)88(11)197-151(261)111(65-83(3)4)210-158(268)120(76-135(246)247)217-150(260)109(53-56-133(242)243)203-141(251)90(13)199-164(274)126-33-25-62-226(126)169(279)91(14)200-152(262)119(75-134(244)245)216-148(258)107(52-55-132(240)241)201-131(239)79-195-163(273)125-32-24-63-227(125)171(281)122(74-130(181)238)220-159(269)121(77-136(248)249)218-165(275)127-34-26-64-228(127)170(280)110(27-18-19-57-177)208-143(253)102(178)80-229/h35-50,78,82-92,102-127,137-139,229-235H,16-34,51-77,79-81,177-178H2,1-15H3,(H2,179,236)(H2,180,237)(H2,181,238)(H,190,196)(H,195,273)(H,197,261)(H,198,272)(H,199,274)(H,200,262)(H,201,239)(H,202,250)(H,203,251)(H,204,259)(H,205,263)(H,206,254)(H,207,278)(H,208,253)(H,209,252)(H,210,268)(H,211,267)(H,212,255)(H,213,264)(H,214,266)(H,215,256)(H,216,258)(H,217,260)(H,218,275)(H,219,276)(H,220,269)(H,221,257)(H,222,265)(H,223,271)(H,224,270)(H,225,277)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,282,283)(H4,182,183,191)(H4,184,185,192)(H4,186,187,193)(H4,188,189,194)/t86-,87-,88-,89-,90-,91-,92+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,137-,138-,139-/m0/s1"	""	""	""
"7058"	"NQN-1"	""	"Synthetic organic"	""	""	""	""	"178103637"	"4882"	""	""	"CHEMBL1717890"	""	""	""	""	"N-(1,4-dioxonaphthalen-2-yl)benzamide"	""	"NSC 73233|PPM-18"	"O=C(c1ccccc1)NC1=CC(=O)c2c(C1=O)cccc2"	"BIVQBWSIGJFXLF-UHFFFAOYSA-N"	"InChI=1S/C17H11NO3/c19-15-10-14(16(20)13-9-5-4-8-12(13)15)18-17(21)11-6-2-1-3-7-11/h1-10H,(H,18,21)"	""	""	""
"8772"	"Nrf2 peptide [PMID: 23647822]"	""	"Peptide"	""	""	""	""	"252827430"	"73355065"	""	""	"CHEMBL2402205"	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)O"	"LUWNQRCIIOOCLS-ITDBXDHNSA-N"	"InChI=1S/C86H124N18O28/c1-43(2)35-57(98-76(121)53(25-30-64(88)106)93-73(118)47(8)91-79(124)59(38-49-19-13-10-14-20-49)101-82(127)60(97-72(117)46(7)87)39-50-21-15-11-16-22-50)80(125)95-54(26-31-65(89)107)77(122)99-58(36-44(3)4)81(126)102-62(41-70(115)116)84(129)96-55(28-33-68(111)112)75(120)94-56(29-34-69(113)114)78(123)104-71(48(9)105)85(130)90-42-66(108)92-52(27-32-67(109)110)74(119)100-61(40-51-23-17-12-18-24-51)83(128)103-63(86(131)132)37-45(5)6/h10-24,43-48,52-63,71,105H,25-42,87H2,1-9H3,(H2,88,106)(H2,89,107)(H,90,130)(H,91,124)(H,92,108)(H,93,118)(H,94,120)(H,95,125)(H,96,129)(H,97,117)(H,98,121)(H,99,122)(H,100,119)(H,101,127)(H,102,126)(H,103,128)(H,104,123)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,131,132)/t46-,47-,48+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,71-/m0/s1"	""	""	""
"4271"	"NS004"	""	"Synthetic organic"	""	""	""	""	"178101088"	"5311330"	""	""	"CHEMBL375448"	""	""	""	""	"1-(5-chloro-2-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one"	""	"NS 004|NS-004|NS-O04"	"Clc1ccc(c(c1)n1c(=O)[nH]c2c1ccc(c2)C(F)(F)F)O"	"WYLYBVMNGZOYOH-UHFFFAOYSA-N"	"InChI=1S/C14H8ClF3N2O2/c15-8-2-4-12(21)11(6-8)20-10-3-1-7(14(16,17)18)5-9(10)19-13(20)22/h1-6,21H,(H,19,22)"	""	""	""
"11854"	"NS11021"	""	"Synthetic organic"	""	""	""	""	"461663410"	"24825677"	""	""	"CHEMBL4303589"	""	""	""	""	"1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]thiourea"	""	"NS 11021|NS-11021"	"c1cc(c(cc1Br)c1n[nH]nn1)NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F"	"MDKAFDIKYQMOMF-UHFFFAOYSA-N"	"InChI=1S/C16H9BrF6N6S/c17-9-1-2-12(11(6-9)13-26-28-29-27-13)25-14(30)24-10-4-7(15(18,19)20)3-8(5-10)16(21,22)23/h1-6H,(H2,24,25,30)(H,26,27,28,29)"	""	""	""
"2944"	"NS11757"	""	"Synthetic organic"	""	""	""	""	"135650742"	"25102784"	""	""	"CHEMBL511710"	""	""	""	""	"N-(6,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-1,3-benzodiazol-2-amine"	""	"compound 39 [PMID: 18998663]|NS-11757"	"Clc1cc2CCCC(c2cc1Cl)Nc1nc2c([nH]1)cccc2"	"JHLGZRSIUIFADK-UHFFFAOYSA-N"	"InChI=1S/C17H15Cl2N3/c18-12-8-10-4-3-7-14(11(10)9-13(12)19)20-17-21-15-5-1-2-6-16(15)22-17/h1-2,5-6,8-9,14H,3-4,7H2,(H2,20,21,22)"	""	""	""
"9316"	"NS13001"	""	"Synthetic organic"	""	""	""	""	"318164835"	"44472568"	""	""	""	""	""	""	""	"N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-9-methylpurin-6-amine"	""	""	"Clc1ccc(cc1)Nc1nc(nc2c1ncn2C)n1nc(cc1C)C"	"DVQOPNIPUIOXHU-UHFFFAOYSA-N"	"InChI=1S/C17H16ClN7/c1-10-8-11(2)25(23-10)17-21-15(14-16(22-17)24(3)9-19-14)20-13-6-4-12(18)5-7-13/h4-9H,1-3H3,(H,20,21,22)"	""	""	""
"4272"	"NS1619"	""	"Synthetic organic"	""	""	""	""	"178101089"	"4552"	""	""	"CHEMBL384903"	""	""	""	""	"1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one"	""	"NS 1619|NS-1619"	"Oc1ccc(cc1n1c(=O)[nH]c2c1ccc(c2)C(F)(F)F)C(F)(F)F"	"YLFMCMWKHSDUCT-UHFFFAOYSA-N"	"InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)"	""	""	""
"2308"	"NS1643"	""	"Synthetic organic"	""	""	""	""	"135650743"	"10177784"	""	""	"CHEMBL1514181"	""	""	""	""	"1,3-bis[2-hydroxy-5-(trifluoromethyl)phenyl]urea"	""	"NS 1643|NS-1643"	"O=C(Nc1cc(ccc1O)C(F)(F)F)Nc1cc(ccc1O)C(F)(F)F"	"NJFVQMRYJZHGME-UHFFFAOYSA-N"	"InChI=1S/C15H10F6N2O3/c16-14(17,18)7-1-3-11(24)9(5-7)22-13(26)23-10-6-8(15(19,20)21)2-4-12(10)25/h1-6,24-25H,(H2,22,23,26)"	""	""	""
"4000"	"NS1738"	""	"Synthetic organic"	""	""	""	""	"178100826"	"310378"	""	""	"CHEMBL407217"	""	""	""	""	"3-(5-chloro-2-hydroxyphenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]urea"	""	"NS-1738"	"O=C(Nc1cc(Cl)ccc1O)Nc1cc(ccc1Cl)C(F)(F)F"	"OUDXRNQPVSMGDW-UHFFFAOYSA-N"	"InChI=1S/C14H9Cl2F3N2O2/c15-8-2-4-12(22)11(6-8)21-13(23)20-10-5-7(14(17,18)19)1-3-9(10)16/h1-6,22H,(H2,20,21,23)"	""	""	""
"14024"	"NS19504"	""	"Synthetic organic"	""	""	""	""	"518520651"	"727750"	""	""	"CHEMBL3233606"	""	""	""	""	"5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine"	""	"NS 19504|NS-19504"	"C1=CC(=CC=C1CC2=CN=C(S2)N)Br"	"HGWLTZOMQZIUBW-UHFFFAOYSA-N"	"InChI=1S/C10H9BrN2S/c11-8-3-1-7(2-4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13)"	""	""	""
"6554"	"NS 2028"	""	"Synthetic organic"	""	""	""	""	"178103168"	"4551"	""	""	"CHEMBL507122"	""	""	""	""	"8-bromo-4H-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one"	""	"NS-2028|NS2028"	"Brc1ccc2c(c1)n1c(CO2)noc1=O"	"MUDRLQRJCGJJTB-UHFFFAOYSA-N"	"InChI=1S/C9H5BrN2O3/c10-5-1-2-7-6(3-5)12-8(4-14-7)11-15-9(12)13/h1-3H,4H2"	""	""	""
"2678"	"NS-220"	""	"Synthetic organic"	""	""	""	""	"135650744"	"9947731"	""	""	"CHEMBL270960"	""	""	""	""	""	""	"LS-191458"	"Cc1ccc(cc1)c1oc(c(n1)CCCC[C@@H]1CO[C@](OC1)(C)C(=O)O)C"	"IMYPSTHZBIWMNA-NBEIKUQISA-N"	"InChI=1S/C21H27NO5/c1-14-8-10-17(11-9-14)19-22-18(15(2)27-19)7-5-4-6-16-12-25-21(3,20(23)24)26-13-16/h8-11,16H,4-7,12-13H2,1-3H3,(H,23,24)/t16-,21+"	""	""	""
"2317"	"NS309"	""	"Synthetic organic"	""	""	""	""	"135650745"	"135502903"	""	""	"CHEMBL499968"	""	""	""	""	"6,7-dichloro-3-(hydroxyamino)-2H-indol-2-one"	""	"NS-309"	"ONC1=c2ccc(c(c2=NC1=O)Cl)Cl"	"CVOUSAVHMDXCKG-UHFFFAOYSA-N"	"InChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,14H,(H,11,12,13)"	""	""	""
"7660"	"NS3623"	""	"Synthetic organic"	""	""	""	""	"223365995"	"9954236"	""	""	""	""	""	""	""	"1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea"	""	"NS 3623|NS-3623"	"O=C(Nc1ccc(cc1c1nn[nH]n1)Br)Nc1cccc(c1)C(F)(F)F"	"JXPULDIATMTIIN-UHFFFAOYSA-N"	"InChI=1S/C15H10BrF3N6O/c16-9-4-5-12(11(7-9)13-22-24-25-23-13)21-14(26)20-10-3-1-2-8(6-10)15(17,18)19/h1-7H,(H2,20,21,26)(H,22,23,24,25)"	""	""	""
"4273"	"NS3728"	""	"Synthetic organic"	""	""	""	""	"178101090"	"10005966"	""	""	""	""	""	""	""	"1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-bromo-2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]urea"	""	"NS 3728|NS-3728"	"O=C(Nc1ccc(cc1c1[nH]nnn1)Br)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F"	"AEFYFGMSRKDXHZ-UHFFFAOYSA-N"	"InChI=1S/C16H9BrF6N6O/c17-9-1-2-12(11(6-9)13-26-28-29-27-13)25-14(30)24-10-4-7(15(18,19)20)3-8(5-10)16(21,22)23/h1-6H,(H2,24,25,30)(H,26,27,28,29)"	""	""	""
"4274"	"NS3763"	""	"Synthetic organic"	""	""	""	""	"178101091"	"4359312"	""	""	"CHEMBL156717"	""	""	""	""	"4,6-dibenzamidobenzene-1,3-dicarboxylic acid"	""	"NS-3763"	"O=C(c1ccccc1)Nc1cc(NC(=O)c2ccccc2)c(cc1C(=O)O)C(=O)O"	"UUDYZUDTQPLDDP-UHFFFAOYSA-N"	"InChI=1S/C22H16N2O6/c25-19(13-7-3-1-4-8-13)23-17-12-18(16(22(29)30)11-15(17)21(27)28)24-20(26)14-9-5-2-6-10-14/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)"	""	""	""
"11474"	"NS383"	""	"Synthetic organic"	""	""	""	""	"440816842"	"135418391"	""	""	""	""	""	""	""	"(3E)-8-ethyl-3-(hydroxyimino)-5-phenyl-1H,2H,3H,6H,7H,8H,9H-pyrrolo[3,2-h]isoquinolin-2-one"	""	""	"CCN1CCc2c(C1)c1NC(=O)/C(=N/O)/c1cc2c1ccccc1"	"CHVQAXYXYIDNDC-UHFFFAOYSA-N"	"InChI=1S/C19H19N3O2/c1-2-22-9-8-13-14(12-6-4-3-5-7-12)10-15-17(16(13)11-22)20-19(23)18(15)21-24/h3-7,10,24H,2,8-9,11H2,1H3,(H,20,21,23)"	""	""	""
"8976"	"NS-398"	""	"Synthetic organic"	""	""	""	""	"310264756"	"4553"	""	""	"CHEMBL7162"	""	""	""	""	"N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide"	""	"NS 398"	"[O-][N+](=O)c1ccc(c(c1)OC1CCCCC1)NS(=O)(=O)C"	"KTDZCOWXCWUPEO-UHFFFAOYSA-N"	"InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3"	"yes"	""	""
"481"	"NS-49"	""	"Synthetic organic"	""	""	""	""	"135650746"	"9838763"	""	""	"CHEMBL72958"	""	""	""	""	"N-[3-[(1R)-2-amino-1-hydroxyethyl]-4-fluorophenyl]methanesulfonamide"	""	""	"NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O"	"XYLJNMCMDOOJRW-VIFPVBQESA-N"	"InChI=1S/C9H13FN2O3S/c1-16(14,15)12-6-2-3-8(10)7(4-6)9(13)5-11/h2-4,9,12-13H,5,11H2,1H3/t9-/m0/s1"	""	""	""
"4275"	"NS5818"	""	"Synthetic organic"	""	""	""	""	"178101092"	"69453339"	""	""	""	""	""	""	""	"4-[4-[(3,5-dichlorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide"	""	"NS-5818"	"O=C(Nc1cc(Cl)cc(c1)Cl)Nc1ccc(c(c1)c1[nH]nnn1)c1ccc(cc1)C(=O)N(C)C"	"FQIPXFVYNAMLDB-UHFFFAOYSA-N"	"InChI=1S/C23H19Cl2N7O2/c1-32(2)22(33)14-5-3-13(4-6-14)19-8-7-17(12-20(19)21-28-30-31-29-21)26-23(34)27-18-10-15(24)9-16(25)11-18/h3-12H,1-2H3,(H2,26,27,34)(H,28,29,30,31)"	""	""	""
"9318"	"NS6180"	""	"Synthetic organic"	""	""	""	""	"318164837"	"11837221"	""	""	""	""	""	""	""	"4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazin-3-one"	""	""	"O=C1CSc2c(N1Cc1cccc(c1)C(F)(F)F)cccc2"	"ZUIJXKLTUFCDGO-UHFFFAOYSA-N"	"InChI=1S/C16H12F3NOS/c17-16(18,19)12-5-3-4-11(8-12)9-20-13-6-1-2-7-14(13)22-10-15(20)21/h1-8H,9-10H2"	"yes"	""	""
"11383"	"NS6740"	""	"Synthetic organic"	""	""	""	""	"440816752"	"10021664"	""	""	"CHEMBL2380804"	""	""	""	""	"1,4-diazabicyclo[3.2.2]nonan-4-yl-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone"	""	"A-793394|A793394|NS-6740"	"O=C(N1CCN2CCC1CC2)c1ccc(o1)c1cccc(c1)C(F)(F)F"	"VSOWCIMCDKXVRC-UHFFFAOYSA-N"	"InChI=1S/C19H19F3N2O2/c20-19(21,22)14-3-1-2-13(12-14)16-4-5-17(26-16)18(25)24-11-10-23-8-6-15(24)7-9-23/h1-5,12,15H,6-11H2"	"yes"	""	""
"2318"	"NS8593"	""	"Synthetic organic"	""	""	""	""	"135650747"	"11587013"	""	""	"CHEMBL510780"	""	""	""	""	"N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-1,3-benzodiazol-2-amine"	""	"NS 8593|NS-8593"	"c1ccc2c(c1)[C@@H](CCC2)Nc1nc2c([nH]1)cccc2"	"XZIZUQSOFMLIIR-CQSZACIVSA-N"	"InChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)/t14-/m1/s1"	""	""	""
"3993"	"NS9283"	""	"Synthetic organic"	""	""	""	""	"178100819"	"11998180"	""	""	"CHEMBL3103988"	""	""	""	""	"3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile"	""	"NS-9283"	"N#Cc1cccc(c1)c1onc(n1)c1cccnc1"	"HGFXDSQLRSWUBO-UHFFFAOYSA-N"	"InChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)14-17-13(18-19-14)12-5-2-6-16-9-12/h1-7,9H"	""	""	""
"11238"	"NSC151066"	""	"Synthetic organic"	""	""	""	""	"434122298"	"423115"	""	""	""	""	""	""	""	"dimethyl-bis[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium"	""	"NSC-151066"	"O=C(C[N+](CC(=O)Nc1cccc(c1)C(F)(F)F)(C)C)Nc1cccc(c1)C(F)(F)F"	"YXFFXVOWPKYLNW-UHFFFAOYSA-O"	"InChI=1S/C20H19F6N3O2/c1-29(2,11-17(30)27-15-7-3-5-13(9-15)19(21,22)23)12-18(31)28-16-8-4-6-14(10-16)20(24,25)26/h3-10H,11-12H2,1-2H3,(H-,27,28,30,31)/p+1"	""	""	""
"9652"	"NSC157058"	""	"Synthetic organic"	""	""	""	""	"340590282"	"423738"	""	""	""	""	""	""	""	"5,6-dichloro-2H-triazolo[4,5-e]pyrazine"	""	""	"Clc1nc2n[nH]nc2nc1Cl"	"RKHFIGLWZHVDCG-UHFFFAOYSA-N"	"InChI=1S/C4HCl2N5/c5-1-2(6)8-4-3(7-1)9-11-10-4/h(H,7,8,9,10,11)"	""	""	""
"834"	"NSC 157449"	""	"Synthetic organic"	""	""	""	""	"135651056"	"3618472"	""	""	"CHEMBL280711"	""	""	""	""	"1-(2-hydroxy-4-nitrophenyl)-3-phenylurea"	""	"SK&amp;F 83589"	"O=C(Nc1ccc(cc1O)[N+](=O)[O-])Nc1ccccc1"	"SAUHQYBXEGARCC-UHFFFAOYSA-N"	"InChI=1S/C13H11N3O4/c17-12-8-10(16(19)20)6-7-11(12)15-13(18)14-9-4-2-1-3-5-9/h1-8,17H,(H2,14,15,18)"	""	""	""
"11239"	"NSC212069"	""	"Synthetic organic"	""	""	""	""	"434122299"	"427518"	""	""	""	""	""	""	""	"2-(3,4-dichlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]pyridin-1-ium-3-yl]acetamide"	""	"NSC-212069"	"O=C(Nc1ccc[n+](c1)Cc1ccc(c(c1)Cl)Cl)COc1ccc(c(c1)Cl)Cl"	"BJJNHDXKMSVOMG-UHFFFAOYSA-O"	"InChI=1S/C20H14Cl4N2O2/c21-16-5-3-13(8-18(16)23)10-26-7-1-2-14(11-26)25-20(27)12-28-15-4-6-17(22)19(24)9-15/h1-9,11H,10,12H2/p+1"	""	""	""
"11057"	"NSC 23766"	""	"Synthetic organic"	""	""	""	""	"405560498"	"409805"	""	""	"CHEMBL257119"	""	""	""	""	"N'-[2-(5-diethylaminopentan-2-ylamino)-6-methylpyrimidin-4-yl]-2-methylquinoline-4,6-diamine"	""	"NSC-23766|NSC23766"	"CCN(CCCC(Nc1nc(Nc2ccc3c(c2)c(N)cc(n3)C)cc(n1)C)C)CC"	"DEFBCZWQLILOJF-UHFFFAOYSA-N"	"InChI=1S/C24H35N7/c1-6-31(7-2)12-8-9-16(3)27-24-28-18(5)14-23(30-24)29-19-10-11-22-20(15-19)21(25)13-17(4)26-22/h10-11,13-16H,6-9,12H2,1-5H3,(H2,25,26)(H2,27,28,29,30)"	""	""	""
"14414"	"NSC-33353"	""	"Synthetic organic"	""	""	""	""	"523352206"	"40492789"	""	""	"CHEMBL4296983"	""	""	""	""	"(Z)-N-(4-amino-2-methylquinolin-6-yl)-3-(2-chlorophenyl)prop-2-enamide"	""	""	"CC1=CC(=C2C=C(C=CC2=N1)NC(=O)/C=C\C3=CC=CC=C3Cl)N"	"MLKVGBZASWPPOU-TWGQIWQCSA-N"	"InChI=1S/C19H16ClN3O/c1-12-10-17(21)15-11-14(7-8-18(15)22-12)23-19(24)9-6-13-4-2-3-5-16(13)20/h2-11H,1H3,(H2,21,22)(H,23,24)/b9-6-"	""	""	"yes"
"11240"	"NSC600684"	""	"Synthetic organic"	""	""	""	""	"434122300"	"353192"	""	""	"CHEMBL1192118"	""	""	""	""	"11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxamide"	""	"NSC-600684"	"O=C(c1ccc2n(c1)c(=O)c1c(n2)ccc(c1)C(C)C)NCCN1CCN(CC1)c1ccccc1"	"XYYIYKRFSGVWQQ-UHFFFAOYSA-N"	"InChI=1S/C28H31N5O2/c1-20(2)21-8-10-25-24(18-21)28(35)33-19-22(9-11-26(33)30-25)27(34)29-12-13-31-14-16-32(17-15-31)23-6-4-3-5-7-23/h3-11,18-20H,12-17H2,1-2H3,(H,29,34)"	""	""	""
"10364"	"NSC61610"	""	"Synthetic organic"	""	""	""	""	"384403644"	"247228"	""	""	"CHEMBL1562963"	""	""	""	""	"1-N,4-N-bis[3-(1H-benzimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide"	""	""	"O=C(c1ccc(cc1)C(=O)Nc1cccc(c1)c1nc2c([nH]1)cccc2)Nc1cccc(c1)c1nc2c([nH]1)cccc2"	"WSXIJTIFOWCMIQ-UHFFFAOYSA-N"	"InChI=1S/C34H24N6O2/c41-33(35-25-9-5-7-23(19-25)31-37-27-11-1-2-12-28(27)38-31)21-15-17-22(18-16-21)34(42)36-26-10-6-8-24(20-26)32-39-29-13-3-4-14-30(29)40-32/h1-20H,(H,35,41)(H,36,42)(H,37,38)(H,39,40)"	"yes"	""	""
"13461"	"NSC620333"	""	"Synthetic organic"	""	""	""	""	"500839871"	"359468"	""	""	"CHEMBL1982430"	""	""	""	""	"2-(6-aminopurin-9-yl)-5-[(4-chlorophenyl)methylsulfanylmethyl]oxolane-3,4-diol"	""	"NSC-620333"	"C1=CC(=CC=C1CSCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)Cl"	"IJLUIMSYWGUZCP-UHFFFAOYSA-N"	"InChI=1S/C17H18ClN5O3S/c18-10-3-1-9(2-4-10)5-27-6-11-13(24)14(25)17(26-11)23-8-22-12-15(19)20-7-21-16(12)23/h1-4,7-8,11,13-14,17,24-25H,5-6H2,(H2,19,20,21)"	""	""	""
"9933"	"NSC 780521"	""	"Synthetic organic"	""	""	""	""	"363894227"	"133081973"	""	""	""	""	""	""	""	"1,9-dinitro-dibenziodolium"	""	"compound 521 [PMID: 28709950]|NSC-780521|NSC780521"	"[O-][N+](=O)c1cccc2c1c1c([I-]2)cccc1[N+](=O)[O-]"	"NBIXKUWRZRFYBQ-UHFFFAOYSA-N"	"InChI=1S/C12H6IN2O4/c16-14(17)9-5-1-3-7-11(9)12-8(13-7)4-2-6-10(12)15(18)19/h1-6H/q-1"	""	""	""
"10497"	"NSC80734"	""	"Synthetic organic"	""	""	""	""	"387065579"	"255329"	""	""	"CHEMBL1304177"	""	""	""	""	"1-(4-cyanophenyl)-3-[4-[4-[(4-cyanophenyl)carbamoylamino]phenoxy]phenyl]urea"	""	""	"N#Cc1ccc(cc1)NC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)Nc1ccc(cc1)C#N"	"NKTXGJQCHFJKQJ-UHFFFAOYSA-N"	"InChI=1S/C28H20N6O3/c29-17-19-1-5-21(6-2-19)31-27(35)33-23-9-13-25(14-10-23)37-26-15-11-24(12-16-26)34-28(36)32-22-7-3-20(18-30)4-8-22/h1-16H,(H2,31,33,35)(H2,32,34,36)"	"yes"	""	""
"10956"	"NSC-84963"	""	"Synthetic organic"	""	""	""	""	"405560397"	"96664"	""	""	""	""	""	""	""	"4-amino-1,2,5-selenadiazole-3-carboxamide"	""	"NSC 84963|NSC84963"	"NC(=O)c1n[se]nc1N"	"MTHSSXGAJGDHBL-UHFFFAOYSA-N"	"InChI=1S/C3H4N4OSe/c4-2-1(3(5)8)6-9-7-2/h(H2,4,7)(H2,5,8)"	""	""	"yes"
"10957"	"NSC-93169"	""	"Synthetic organic"	""	""	""	""	"405560398"	"96911"	""	""	""	""	""	""	""	"4-amino-N-methyl-1,2,5-selenadiazole-3-carboxamide"	""	"NSC 93169|NSC93169"	"CNC(=O)c1n[se]nc1N"	"KVRRSRDUIXUGCU-UHFFFAOYSA-N"	"InChI=1S/C4H6N4OSe/c1-6-4(9)2-3(5)8-10-7-2/h1H3,(H2,5,8)(H,6,9)"	""	""	"yes"
"13462"	"nsp16 inhibitor 5a"	""	"Synthetic organic"	""	""	""	""	"500839872"	"5721553"	""	""	"CHEMBL1308276"	""	""	""	""	"4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one"	""	"compound 5a [PMID: 37728236]"	"OC1=NC(/C=C/C2=CC=C(Cl)C=C2Cl)=CC(=N1)C(F)(F)F"	"MMOUYBCDJMEUFG-DUXPYHPUSA-N"	"InChI=1S/C13H7Cl2F3N2O/c14-8-3-1-7(10(15)5-8)2-4-9-6-11(13(16,17)18)20-12(21)19-9/h1-6H,(H,19,20,21)/b4-2+"	""	""	""
"13370"	"NST-628"	""	"Synthetic organic"	""	""	""	""	"496703340"	"169262739"	""	""	""	""	""	""	""	"3-[[3-fluoro-2-(methylsulfamoylamino)pyridin-4-yl]methyl]-7-(3-fluoropyridin-2-yl)oxy-4-methylchromen-2-one"	""	""	"CC1=C(C(=O)OC2=C1C=CC(=C2)OC3=C(C=CC=N3)F)CC4=C(C(=NC=C4)NS(=O)(=O)NC)F"	"YQSZJOABXRROQR-UHFFFAOYSA-N"	"InChI=1S/C22H18F2N4O5S/c1-12-15-6-5-14(32-21-17(23)4-3-8-27-21)11-18(15)33-22(29)16(12)10-13-7-9-26-20(19(13)24)28-34(30,31)25-2/h3-9,11,25H,10H2,1-2H3,(H,26,28)"	""	""	""
"2266"	"N-stearyl-[Nle<sup>17</sup>] neurotensin-(6-11)/VIP-(7-28)"	""	"Peptide"	""	""	""	""	"135652357"	"0"	""	""	""	""	""	""	""	""	""	"(SN)VIPhybrid|N-stearyl-[Nle<sup>17</sup>] neurotensin(6-11)/VIP(7-28)"	""	""	""	""	""	""
"2271"	"N-stearyl-[Nle<sup>17</sup>]VIP"	""	"Peptide"	""	""	""	""	"135652358"	"0"	""	""	""	""	""	""	""	""	""	"N-stearyl-[Nle<sup>17</sup>]vasoactive intestinal peptide"	""	""	""	""	""	""
"4260"	"N<sup>1</sup>-dansyl-spermine"	""	"Synthetic organic"	""	""	""	""	"178101077"	"9889212"	""	""	"CHEMBL1184349"	""	""	""	""	"N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide"	""	""	"NCCCNCCCCNCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C"	"NSUSGNAFCIMCDH-UHFFFAOYSA-N"	"InChI=1S/C22H37N5O2S/c1-27(2)21-11-5-10-20-19(21)9-6-12-22(20)30(28,29)26-18-8-17-25-15-4-3-14-24-16-7-13-23/h5-6,9-12,24-26H,3-4,7-8,13-18,23H2,1-2H3"	""	""	""
"4658"	"N<sup>1</sup>-methylnicotinamide"	""	"Metabolite"	""	""	""	""	"178101374"	"457"	""	""	"CHEMBL71733"	""	""	""	""	"3-carbamoyl-1-methylpyridin-1-ium"	""	""	"C[n+]1cccc(c1)C(=O)N"	"LDHMAVIPBRSVRG-UHFFFAOYSA-O"	"InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1"	""	""	""
"6200"	"N<sup>4</sup>-phenylethoxycytidine-5'-triphosphate"	""	"Synthetic organic"	""	""	""	""	"178102821"	"53262890"	""	""	"CHEMBL1784893"	""	""	""	""	"({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-[(4Z)-2-oxo-4-[(2-phenylethoxy)imino]-1,2,3,4-tetrahydropyrimidin-1-yl]oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid"	""	"compound 15 [PMID:21528910]|N<sup>4</sup>-(phenylethoxy)-CTP"	"O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cc/c(=N/OCCc2ccccc2)/[nH]c1=O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O"	"WREOTYWODABZMH-DTZQCDIJSA-N"	"InChI=1S/C17H24N3O15P3/c21-14-12(10-32-37(27,28)35-38(29,30)34-36(24,25)26)33-16(15(14)22)20-8-6-13(18-17(20)23)19-31-9-7-11-4-2-1-3-5-11/h1-6,8,12,14-16,21-22H,7,9-10H2,(H,27,28)(H,29,30)(H,18,19,23)(H2,24,25,26)/t12-,14-,15-,16-/m1/s1"	""	""	""
"4684"	"N<sup>5</sup>-methylfolate"	""	"Metabolite"	""	""	""	""	"178101398"	"135483998"	""	""	""	""	""	""	""	"(2R)-2-[(4-{[(2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid"	""	"5-methyl-tetrahydrofolate|5-methyl-THF|5-methyltetrahydrofolate"	"OC(=O)CC[C@H](C(=O)O)NC(=O)c1ccc(cc1)NCC1CNc2c(N1C)c(=O)nc([nH]2)N"	"ZNOVTXRBGFNYRX-ZGTCLIOFSA-N"	"InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12?,13-/m1/s1"	""	""	""
"5228"	"N<sup>6</sup> benzyl-cAMP"	""	"Synthetic organic"	""	""	""	""	"178101912"	"161733"	""	""	"CHEMBL3142462"	""	""	""	""	"(4aR,6R,7R,7aS)-6-[6-(benzylamino)-9H-purin-9-yl]-2,7-dihydroxy-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-2-one"	""	"N<sup>6</sup>-benzyl cyclic AMP"	"O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NCc1ccccc1"	"GDDBIAMRTVTOBL-LSCFUAHRSA-N"	"InChI=1S/C17H18N5O6P/c23-13-14-11(7-26-29(24,25)28-14)27-17(13)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23H,6-7H2,(H,24,25)(H,18,19,20)/t11-,13-,14-,17-/m1/s1"	""	""	""
"5229"	"N<sup>G</sup>,N<sup>G</sup>-dimethyl-L-arginine"	""	"Metabolite"	""	""	""	""	"178101913"	"123831"	""	""	"CHEMBL457530"	""	""	""	""	"(2S)-2-amino-5-(1,1-dimethylcarbamimidamido)pentanoic acid"	""	"<i>N,N</i>-dimethylarginine|ADMA|asymmetric dimethylarginine"	"OC(=O)[C@H](CCCNC(=N)N(C)C)N"	"YDGMGEXADBMOMJ-LURJTMIESA-N"	"InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1"	""	""	""
"5227"	"N<sup>&omega;</sup>-hydroxyarginine"	""	"Metabolite"	""	""	""	""	"178101911"	"440849"	""	""	"CHEMBL323186"	""	""	""	""	"2-amino-5-{[amino(hydroxyamino)methylidene]amino}pentanoic acid"	""	""	"ONC(=NCCCC(C(=O)O)N)N"	"FQWRAVYMZULPNK-UHFFFAOYSA-N"	"InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)"	""	""	""
"5091"	"N<sup>&omega;</sup>-hydroxy-nor-L-arginine"	""	"Metabolite"	""	""	""	""	"178101784"	"446124"	""	""	"CHEMBL1234777"	""	""	""	""	"(2S)-2-amino-4-[(E)-2-hydroxycarbamimidamido]butanoic acid"	""	"NNH|nor-NOHA"	"O/N=C(/NCC[C@@H](C(=O)O)N)\N"	"KOBHCUDVWOTEKO-VKHMYHEASA-N"	"InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1"	""	""	""
"6525"	"N<sup>&omega;</sup>propyl-L-arginine"	""	"Synthetic organic"	""	""	""	""	"178103139"	"447180"	""	""	"CHEMBL107528"	""	""	""	""	"(2S)-2-amino-5-[(N'-propylcarbamimidoyl)amino]pentanoic acid"	""	""	"CCCNC(=N)NCCC[C@@H](C(=O)O)N"	"AOMXURITGZJPKB-ZETCQYMHSA-N"	"InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1"	""	""	""
"13008"	"NT-0796"	""	"Synthetic organic"	""	""	""	""	"485206129"	"152031485"	""	""	""	""	""	""	""	"propan-2-yl (2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyrimidin-2-ylpropanoate"	""	"NT0796"	"C1CCC2=C(C=3CCCC3C=C12)NC(=O)O[C@@H](C(=O)OC(C)C)CC4=NC=CC=N4"	"UMUQEMHROZVOTF-LJQANCHMSA-N"	"InChI=1S/C23H27N3O4/c1-14(2)29-22(27)19(13-20-24-10-5-11-25-20)30-23(28)26-21-17-8-3-6-15(17)12-16-7-4-9-18(16)21/h5,10-12,14,19H,3-4,6-9,13H2,1-2H3,(H,26,28)/t19-/m1/s1"	"yes"	""	""
"11819"	"NT23"	""	"Synthetic organic"	""	""	""	""	"458923854"	"2339897"	""	""	"CHEMBL606690"	""	""	""	""	"1-[4-(difluoromethoxy)phenyl]-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone"	""	"compound 1 [PMID: 20158183]|NT-23"	"FC(F)Oc1ccc(cc1)C(=O)CSc1nnc(Nc2c(F)cccc2)s1"	"IMTBFONQRNCXSE-UHFFFAOYSA-N"	"InChI=1S/C17H12F3N3O2S2/c18-12-3-1-2-4-13(12)21-16-22-23-17(27-16)26-9-14(24)10-5-7-11(8-6-10)25-15(19)20/h1-8,15H,9H2,(H,21,22)"	""	""	""
"13584"	"NTB-3119"	""	"Synthetic organic"	""	""	""	""	"504705403"	"141730928"	""	""	"CHEMBL4586075"	""	""	""	""	"2-[4-(cyclohexylmethyl)piperazin-1-yl]-8-nitro-6-(trifluoromethyl)thiochromen-4-one"	""	"compound 6b [PMID: 30336450]"	"C1CCC(CC1)CN2CCN(CC2)C3=CC(=O)C4=C(S3)C(=CC(=C4)C(F)(F)F)[N+](=O)[O-]"	"LKTGKSLRRVEZFI-UHFFFAOYSA-N"	"InChI=1S/C21H24F3N3O3S/c22-21(23,24)15-10-16-18(28)12-19(31-20(16)17(11-15)27(29)30)26-8-6-25(7-9-26)13-14-4-2-1-3-5-14/h10-12,14H,1-9,13H2"	""	""	"yes"
"8596"	"NTE-1"	""	"Synthetic organic"	""	""	""	""	"252166797"	"91801116"	""	""	""	""	""	""	""	"methyl N-[(2S)-2-[4-[5-[4-[[(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl]amino]phenyl]pentoxy]phenyl]-3-quinolin-3-ylpropyl]carbamate"	""	""	"COC(=O)NC[C@H](c1ccc(cc1)OCCCCCc1ccc(cc1)NC(=O)[C@@H](N1CCC[C@@H](C1=O)N)C1CCCCC1)Cc1cnc2c(c1)cccc2"	"IGRIVAWLJUPVMM-UDEWTJCRSA-N"	"InChI=1S/C44H55N5O5/c1-53-44(52)47-30-36(28-32-27-35-14-7-8-16-40(35)46-29-32)33-19-23-38(24-20-33)54-26-9-3-4-11-31-17-21-37(22-18-31)48-42(50)41(34-12-5-2-6-13-34)49-25-10-15-39(45)43(49)51/h7-8,14,16-24,27,29,34,36,39,41H,2-6,9-13,15,25-26,28,30,45H2,1H3,(H,47,52)(H,48,50)/t36-,39+,41+/m1/s1"	""	""	""
"8597"	"NTE-2"	""	"Synthetic organic"	""	""	""	""	"252166798"	"91801117"	""	""	""	""	""	""	""	"methyl N-[(2S)-2-[5-[5-[4-[[(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl]amino]phenyl]pentyl]-2-fluorophenyl]-3-quinolin-3-ylpropyl]carbamate"	""	""	"COC(=O)NC[C@H](c1cc(CCCCCc2ccc(cc2)NC(=O)[C@@H](N2CCC[C@@H](C2=O)N)C2CCCCC2)ccc1F)Cc1cnc2c(c1)cccc2"	"SDVPSGCYRLUZSS-WXSHXSFMSA-N"	"InChI=1S/C44H54FN5O4/c1-54-44(53)48-29-35(26-32-25-34-15-8-9-17-40(34)47-28-32)37-27-31(20-23-38(37)45)12-5-2-4-11-30-18-21-36(22-19-30)49-42(51)41(33-13-6-3-7-14-33)50-24-10-16-39(46)43(50)52/h8-9,15,17-23,25,27-28,33,35,39,41H,2-7,10-14,16,24,26,29,46H2,1H3,(H,48,53)(H,49,51)/t35-,39+,41+/m1/s1"	""	""	""
"11537"	"NTP42"	""	"Synthetic organic"	""	""	""	""	"441604909"	"124147085"	""	""	""	""	""	""	""	"1-tert-butyl-3-[5-cyano-2-[3-[4-(difluoromethoxy)phenyl]phenoxy]phenyl]sulfonylurea"	""	"NTP-42"	"N#Cc1ccc(c(c1)S(=O)(=O)NC(=O)NC(C)(C)C)Oc1cccc(c1)c1ccc(cc1)OC(F)F"	"RIIKDGPBTPECSW-UHFFFAOYSA-N"	"InChI=1S/C25H23F2N3O5S/c1-25(2,3)29-24(31)30-36(32,33)22-13-16(15-28)7-12-21(22)34-20-6-4-5-18(14-20)17-8-10-19(11-9-17)35-23(26)27/h4-14,23H,1-3H3,(H2,29,30,31)"	""	""	""
"12112"	"NTQ1062"	""	"Synthetic organic"	""	""	""	""	"472319234"	"154663238"	""	""	""	""	""	""	""	"(5R)-4-[(1S,6R)-5-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one"	""	"compound 22b [PMID: 35679512]|NTQ-1062"	"O=C(N1[C@H]2[C@H](C2)N(c2c3c(NC(=O)C[C@H]3C)ncn2)CC1)[C@H](CNC(C)C)c1ccc(Cl)cc1"	"RXNPEQZHMGFNAY-GEALJGNFSA-N"	"InChI=1S/C25H31ClN6O2/c1-14(2)27-12-18(16-4-6-17(26)7-5-16)25(34)32-9-8-31(19-11-20(19)32)24-22-15(3)10-21(33)30-23(22)28-13-29-24/h4-7,13-15,18-20,27H,8-12H2,1-3H3,(H,28,29,30,33)/t15-,18-,19+,20-/m1/s1"	""	""	""
"2699"	"nTzDpa"	""	"Synthetic organic"	""	""	""	""	"135650749"	"9954280"	""	""	"CHEMBL370152"	""	""	""	""	"5-chloro-1-[(4-chlorophenyl)methyl]-3-(phenylsulfanyl)-1H-indole-2-carboxylic acid"	""	"NZA"	"Clc1ccc2c(c1)c(Sc1ccccc1)c(n2Cc1ccc(cc1)Cl)C(=O)O"	"VUPOTURDKDMIGQ-UHFFFAOYSA-N"	"InChI=1S/C22H15Cl2NO2S/c23-15-8-6-14(7-9-15)13-25-19-11-10-16(24)12-18(19)21(20(25)22(26)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H,26,27)"	""	""	""
"5959"	"NU-7026"	""	"Synthetic organic"	""	""	""	""	"178102582"	"9860529"	""	""	"CHEMBL104468"	""	""	""	""	"2-(morpholin-4-yl)-4H-benzo[h]chromen-4-one"	""	"DNA-PK inhibitor II|LY-293646|NU 7026|NU7026"	"O=c1cc(oc2c1ccc1c2cccc1)N1CCOCC1"	"KKTZALUTXUZPSN-UHFFFAOYSA-N"	"InChI=1S/C17H15NO3/c19-15-11-16(18-7-9-20-10-8-18)21-17-13-4-2-1-3-12(13)5-6-14(15)17/h1-6,11H,7-10H2"	""	""	""
"8010"	"NU-7441"	""	"Synthetic organic"	""	""	""	""	"249565690"	"11327430"	""	""	"CHEMBL188678"	""	""	""	""	"8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one"	""	"KU-57788|NU7441"	"O=c1cc(oc2c1cccc2c1cccc2c1sc1c2cccc1)N1CCOCC1"	"JAMULYFATHSZJM-UHFFFAOYSA-N"	"InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2"	""	""	""
"14576"	"NUCC-0227579"	""	"Synthetic organic"	""	""	""	""	"530846824"	"179075706"	""	""	""	""	""	""	""	""	""	"C79 [PMID: 42367174]"	"O=C1NC2=C(C=CC(N3C4=C(C(Cl)=CC(C5=CC=NN5CC6=CC=C(OCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N7C[C@H](O)C[C@H]7C(NCC8=CC=C(C9=C(C)N=CS9)C=C8)=O)=O)=O)C=C6)=C4)N=N3)=C2)N1"	"OETQQEMQIODNAG-RUKZVPGCSA-N"	"InChI=1S/C53H58ClN11O9S/c1-32-48(75-31-56-32)35-9-5-33(6-10-35)27-55-50(68)45-26-38(66)29-63(45)51(69)49(53(2,3)4)60-46(67)30-73-20-19-71-17-18-72-21-22-74-39-12-7-34(8-13-39)28-64-43(15-16-57-64)36-23-40(54)47-44(24-36)65(62-61-47)37-11-14-41-42(25-37)59-52(70)58-41/h5-16,23-25,31,38,45,49,66H,17-22,26-30H2,1-4H3,(H,55,68)(H,60,67)(H2,58,59,70)/t38-,45+,49-/m1/s1"	"yes"	""	""
"14726"	"nucresiran"	""	"Nucleic acid"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"nucresiran"	"ALN-TTRsc04"	""	""	""	""	""	""
"10384"	"NUDT7-COV-1"	""	"Synthetic organic"	""	""	""	""	"384403663"	"138393288"	""	""	""	""	""	""	""	"2-{3-[1-(2-chloroacetyl)pyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide"	""	""	"ClCC(=O)N1CCCC1c1cccc(c1)CC(=O)Nc1cccc(c1)Cl"	"ZJGDVCKAHPNDQT-UHFFFAOYSA-N"	"InChI=1S/C20H20Cl2N2O2/c21-13-20(26)24-9-3-8-18(24)15-5-1-4-14(10-15)11-19(25)23-17-7-2-6-16(22)12-17/h1-2,4-7,10,12,18H,3,8-9,11,13H2,(H,23,25)"	""	""	""
"12992"	"nurulimab"	""	"Antibody"	""	""	""	""	"485206113"	"0"	""	""	""	""	""	""	""	""	"nurulimab"	"BCD-145|BCD145"	""	""	""	"yes"	""	""
"9416"	"nusinersen"	""	"Nucleic acid"	"yes"	""	""	""	"328083518"	"131801471"	""	""	"CHEMBL3301572"	""	""	""	""	"O2'-(2-methoxyethyl)-5-methyl-P-thio-uridylyl-(3'->5')-O2'-(2-methoxyethyl)-5-methyl-P-thio-cytidylyl-(3'->5')-O2'-(2-methoxyethyl)-P-thio-adenylyl-(3'->5')-O2'-(2-methoxyethyl)-5-methyl-P-thio-cytidylyl-(3'->5')-O2'-(2-methoxyethyl)-5-methyl-P-thio-uridylyl-(3'->5')-O2'-(2-methoxyethyl)-5-methyl-P-thio-uridylyl-(3'->5')-O2'-(2-methoxyethyl)-5-methyl-P-thio-uridylyl-(3'->5')-O2'-(2-methoxyethyl)-5-methyl-P-thio-cytidylyl-(3'->5')-O2'-(2-methoxyethyl)-P-thio-adenylyl-(3'->5')-O2'-(2-methoxyethyl)-5-methyl-P-thio-uridylyl-(3'->5')-O2'-(2-methoxyethyl)-P-thio-adenylyl-(3'->5')-O2'-(2-methoxyethyl)-P-thio-adenylyl-(3'->5')-O2'-(2-methoxyethyl)-5-methyl-P-thio-uridylyl-(3'->5')-O2'-(2-methoxyethyl)-P-thio-guanylyl-(3'->5')-O2'-(2-methoxyethyl)-5-methyl-P-thio-cytidylyl-(3'->5')-O2'-(2-methoxyethyl)-5-methyl-P-thio-uridylyl-(3'->5')-O2'-(2-methoxyethyl)-P-thio-guanylyl-(3'->5')-O2'-(2-methoxyethyl)-guanosine"	"nusinersen"	"ASO-10-27|BIIB-058|BIIB058|Ionis-SMNrx|ISIS 396443|ISIS SMNRx|ISIS-SMN<sub>Rx</sub>|ISIS396443|Spinraza&reg;"	"COCCO[C@@H]1[C@H](OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)OCCOC)n2cnc3c2nc(N)[nH]c3=O)S)OCCOC)n2cnc3c2nc(N)[nH]c3=O)S)OCCOC)n2cc(C)c(=O)[nH]c2=O)S)OCCOC)n2cc(C)c(nc2=O)N)S)OCCOC)n2cnc3c2nc(N)[nH]c3=O)S)OCCOC)n2cc(C)c(=O)[nH]c2=O)S)OCCOC)n2cnc3c2ncnc3N)S)OCCOC)n2cnc3c2ncnc3N)S)OCCOC)n2cc(C)c(=O)[nH]c2=O)S)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(O[C@@H]1[C@@H](COP(=O)(O[C@@H]2[C@@H](COP(=O)(O[C@@H]3[C@@H](COP(=O)(O[C@@H]4[C@@H](COP(=O)(O[C@@H]5[C@@H](COP(=O)(O[C@@H]6[C@@H](COP(=O)(O[C@@H]7[C@@H](COP(=O)(O[C@@H]8[C@@H](CO)O[C@H]([C@@H]8OCCOC)n8cc(C)c(=O)[nH]c8=O)S)O[C@H]([C@@H]7OCCOC)n7cc(C)c(nc7=O)N)S)O[C@H]([C@@H]6OCCOC)n6cnc7c6ncnc7N)S)O[C@H]([C@@H]5OCCOC)n5cc(C)c(nc5=O)N)S)O[C@H]([C@@H]4OCCOC)n4cc(C)c(=O)[nH]c4=O)S)O[C@H]([C@@H]3OCCOC)n3cc(C)c(=O)[nH]c3=O)S)O[C@H]([C@@H]2OCCOC)n2cc(C)c(=O)[nH]c2=O)S)O[C@H]([C@@H]1OCCOC)n1cc(C)c(nc1=O)N)S"	"WWFDJIVIDXJAQR-FFWSQMGZSA-N"	""	""	""	""
"13215"	"nuvisertib"	""	"Synthetic organic"	""	""	""	""	"491299997"	"66598080"	""	""	"CHEMBL3975308"	""	""	""	""	"2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol"	"nuvisertib"	"SGI-9481|SGI9481|TP-3654|TP3654"	"[H][C@@]1(CC[C@@]([H])(CC1)C(C)(C)O)NC2=NN3C(C=C2)=NC=C3C4=CC=CC(=C4)C(F)(F)F"	"XRNVABDYQLHODA-JCNLHEQBSA-N"	"InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-20-26-13-18(29(20)28-19)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)/t15-,17-"	""	""	""
"14623"	"nuvrumetinib"	""	"Synthetic organic"	""	""	""	""	"530846871"	"134130599"	""	""	"CHEMBL3884776"	""	""	""	""	""	"nuvrumetinib"	"Compound 1 [WO2025147497]|compound 7 [PMID: 28011205]"	"[C@@]1([H])(O)COC=2C(NS(=O)(=O)C3(CC3)C[C@@]1([H])O)=C(NC=4C=CC(I)=CC4F)C(F)=C(F)C2"	"FENWEVRRFMFDBS-KGLIPLIRSA-N"	"InChI=1S/C19H18F3IN2O5S/c20-10-5-9(23)1-2-12(10)24-18-16(22)11(21)6-15-17(18)25-31(28,29)19(3-4-19)7-13(26)14(27)8-30-15/h1-2,5-6,13-14,24-27H,3-4,7-8H2/t13-,14+/m1/s1"	""	""	""
"2375"	"NV-31"	""	"Synthetic organic"	""	""	""	""	"135650750"	"10198012"	""	""	"CHEMBL1092620"	""	""	""	""	"4-tert-butyl-1-oxothian-4-ol"	""	""	"CC(C1(O)CCS(=O)CC1)(C)C"	"BKPWCHDEUGQJRG-UHFFFAOYSA-N"	"InChI=1S/C9H18O2S/c1-8(2,3)9(10)4-6-12(11)7-5-9/h10H,4-7H2,1-3H3"	""	""	""
"8053"	"NVP-2"	""	"Synthetic organic"	""	""	""	""	"249565733"	"66937006"	""	""	""	""	""	""	""	"4-({[6-(5-chloro-2-{[(1r,4r)-4-{[(2R)-1-methoxypropan-2-yl]amino}cyclohexyl]amino}pyridin-4-yl)pyridin-2-yl]amino}methyl)oxane-4-carbonitrile"	""	"Compound 310 [US8778951]|Example 93 [US8778951]"	"COC[C@H](N[C@@H]1CC[C@H](CC1)Nc1ncc(c(c1)c1cccc(n1)NCC1(C#N)CCOCC1)Cl)C"	"XWQVQSXLXAXOPJ-NJDAHSKKSA-N"	"InChI=1S/C27H37ClN6O2/c1-19(16-35-2)32-20-6-8-21(9-7-20)33-26-14-22(23(28)15-30-26)24-4-3-5-25(34-24)31-18-27(17-29)10-12-36-13-11-27/h3-5,14-15,19-21,32H,6-13,16,18H2,1-2H3,(H,30,33)(H,31,34)/t19-,20-,21-/m1/s1"	""	""	""
"6668"	"NVP 231"	""	"Synthetic organic"	""	""	""	""	"178103280"	"4096211"	""	""	""	""	""	""	""	"N-[2-(benzoylamino)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide"	""	"NVP-231|NVP231"	"O=C(c1ccccc1)Nc1sc2c(n1)ccc(c2)NC(=O)C12CC3CC(C2)CC(C1)C3"	"MVSSJPGNLQPWSW-UHFFFAOYSA-N"	"InChI=1S/C25H25N3O2S/c29-22(18-4-2-1-3-5-18)28-24-27-20-7-6-19(11-21(20)31-24)26-23(30)25-12-15-8-16(13-25)10-17(9-15)14-25/h1-7,11,15-17H,8-10,12-14H2,(H,26,30)(H,27,28,29)"	""	""	""
"4276"	"NVP-AAM077"	""	"Synthetic organic"	""	""	""	""	"178101093"	"73755088"	""	""	""	""	""	""	""	"[(S)-{[(1S)-1-(4-bromophenyl)ethyl]amino}(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)methyl]phosphonic acid"	""	"PEAQX"	"Brc1ccc(cc1)[C@@H](N[C@@H](P(=O)(O)O)c1cccc2c1[nH]c(=O)c(=O)[nH]2)C"	"XXZGNAZRWCBSBK-XYZCENFISA-N"	"InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)/t9-,17-/m0/s1"	""	""	""
"8067"	"NVP-AEW541"	""	"Synthetic organic"	""	""	""	""	"249565747"	"11476171"	""	""	"CHEMBL3188172"	""	""	""	""	"7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(phenylmethoxy)phenyl]pyrrolo[3,2-e]pyrimidin-4-amine"	""	"AEW541|NVP AEW541|NVP-AEW 541|NVP-AEW541-A"	"Nc1ncnc2c1c(cn2C1CC(C1)CN1CCC1)c1cccc(c1)OCc1ccccc1"	"AECDBHGVIIRMOI-UHFFFAOYSA-N"	"InChI=1S/C27H29N5O/c28-26-25-24(21-8-4-9-23(14-21)33-17-19-6-2-1-3-7-19)16-32(27(25)30-18-29-26)22-12-20(13-22)15-31-10-5-11-31/h1-4,6-9,14,16,18,20,22H,5,10-13,15,17H2,(H2,28,29,30)"	""	""	""
"7584"	"NVP-BBT594"	""	"Synthetic organic"	""	""	""	""	"223365919"	"59596344"	""	""	""	""	""	""	""	"5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide"	""	""	"CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)N1CCc2c1ccc(c2)Oc1ncnc(c1)NC(=O)C"	"VQLNKQZLPGLOSI-UHFFFAOYSA-N"	"InChI=1S/C28H30F3N7O3/c1-18(39)34-25-15-26(33-17-32-25)41-22-5-6-24-19(13-22)7-8-38(24)27(40)35-21-4-3-20(23(14-21)28(29,30)31)16-37-11-9-36(2)10-12-37/h3-6,13-15,17H,7-12,16H2,1-2H3,(H,35,40)(H,32,33,34,39)"	""	""	""
"14226"	"NVP-BHG712"	""	"Synthetic organic"	""	""	""	""	"521588866"	"16747388"	""	""	"CHEMBL3752910"	""	""	""	""	"4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide"	""	""	"CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C"	"ZCCPLJOKGAACRT-UHFFFAOYSA-N"	"InChI=1S/C26H20F3N7O/c1-15-8-9-16(25(37)32-19-7-3-6-18(12-19)26(27,28)29)11-21(15)33-23-20-14-31-36(2)24(20)35-22(34-23)17-5-4-10-30-13-17/h3-14H,1-2H3,(H,32,37)(H,33,34,35)"	""	""	""
"14228"	"NVP-BHG712 isomer"	""	"Synthetic organic"	""	""	""	""	"521588868"	"117602383"	""	""	""	""	""	""	""	"4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide"	""	""	"CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=NC(=NC4=NN(C=C43)C)C5=CN=CC=C5"	"MWKSRKSEWLRPBL-UHFFFAOYSA-N"	"InChI=1S/C26H20F3N7O/c1-15-8-9-16(25(37)31-19-7-3-6-18(12-19)26(27,28)29)11-21(15)32-23-20-14-36(2)35-24(20)34-22(33-23)17-5-4-10-30-13-17/h3-14H,1-2H3,(H,31,37)(H,32,33,34,35)"	""	""	""
"12119"	"NVP-CLR457"	""	"Synthetic organic"	""	""	""	""	"472319241"	"71682837"	""	""	""	""	""	""	""	"(4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one"	""	"compound 40 [PMID: 35500094]"	"Nc1ncc(c(n1)C(F)(F)F)c1nc(N2CCOCC2)nc(N2[C@@H](CO)[C@@H](C)OC2=O)c1"	"IEYOHYVYEJVEJJ-SKDRFNHKSA-N"	"InChI=1S/C18H20F3N7O4/c1-9-12(8-29)28(17(30)32-9)13-6-11(24-16(25-13)27-2-4-31-5-3-27)10-7-23-15(22)26-14(10)18(19,20)21/h6-7,9,12,29H,2-5,8H2,1H3,(H2,22,23,26)/t9-,12+/m1/s1"	""	""	""
"13702"	"NVP-DFF332"	""	"Synthetic organic"	""	""	""	""	"507750336"	"163827431"	""	""	""	""	""	""	""	"(2S)-1'-chloro-8-(difluoromethoxy)-8',8'-difluoro-6-(trifluoromethyl)spiro[3H-imidazo[1,2-a]pyridine-2,5'-6,7-dihydroisoquinoline]"	""	"Example 31 [WO2021217508A1]|NVP DFF332"	"FC(F)OC1=CC(=CN2C[C@@]3(CCC(F)(F)C4=C3C=CN=C4Cl)N=C12)C(F)(F)F"	"OARXSQSRBRVMQA-OAHLLOKOSA-N"	"InChI=1S/C17H11ClF7N3O/c18-12-11-9(1-4-26-12)15(2-3-16(11,21)22)7-28-6-8(17(23,24)25)5-10(13(28)27-15)29-14(19)20/h1,4-6,14H,2-3,7H2/t15-/m1/s1"	""	""	""
"12583"	"NVP-DKY709"	""	"Synthetic organic"	""	""	""	""	"479821373"	"137519326"	""	""	"CHEMBL5077506"	""	""	""	""	"3-[6-(1-benzylpiperidin-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione"	""	"compound 5 [PMID: 36863346]|DKY-709|DKY709"	"C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)C4CCN(CC4)CC5=CC=CC=C5"	"OMISHRJQMYQPMG-UHFFFAOYSA-N"	"InChI=1S/C25H27N3O3/c29-23-9-8-22(24(30)26-23)28-16-20-14-19(6-7-21(20)25(28)31)18-10-12-27(13-11-18)15-17-4-2-1-3-5-17/h1-7,14,18,22H,8-13,15-16H2,(H,26,29,30)"	""	""	""
"14263"	"NVP-EGT710"	""	"Synthetic organic"	""	""	""	""	"521588903"	"166486662"	""	""	""	""	""	""	""	"(4R)-3-isoquinolin-4-yl-2-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidine-4-carbonitrile"	""	"compound 11a [WO2023002409]|EGT-710|EGT710"	"FC(F)(F)C1=CC=C(C=N1)N2C[C@H](C#N)N(C2=O)C3=C4C=CC=CC4=CN=C3"	"SVHZATFDYUMNFA-AWEZNQCLSA-N"	"InChI=1S/C19H12F3N5O/c20-19(21,22)17-6-5-13(9-25-17)26-11-14(7-23)27(18(26)28)16-10-24-8-12-3-1-2-4-15(12)16/h1-6,8-10,14H,11H2/t14-/m0/s1"	""	""	""
"14673"	"NVP-KFA115"	""	"Synthetic organic"	""	""	""	""	"530846921"	"169067945"	""	""	""	""	""	""	""	"3-[6-[[(1R,2S)-2-(3-ethoxyazetidin-1-yl)cyclohexyl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione"	""	"example 31 [WO2023178181]|KFA115"	"C1C[C@H](CC=2C=CC=3C(=O)N(C4CCC(=O)NC4=O)CC3C2)[C@@H](N5CC(OCC)C5)CC1"	"FKCCFDNDLIDANT-HWWMDGIVSA-N"	"InChI=1S/C25H33N3O4/c1-2-32-19-14-27(15-19)21-6-4-3-5-17(21)11-16-7-8-20-18(12-16)13-28(25(20)31)22-9-10-23(29)26-24(22)30/h7-8,12,17,19,21-22H,2-6,9-11,13-15H2,1H3,(H,26,29,30)/t17-,21+,22?/m1/s1"	""	""	""
"659"	"NVP-SAA164"	""	"Synthetic organic"	""	""	""	""	"135650752"	"9831083"	""	""	"CHEMBL273869"	""	""	""	""	"[1-[4-[2,2-di(phenyl)ethylamino]-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone"	""	"NVP SAA164"	"CN1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C(=O)N1CCOCC1)NCC(c1ccccc1)c1ccccc1"	"VODUCDWVPSEMSZ-UHFFFAOYSA-N"	"InChI=1S/C36H45N5O5S/c1-38-18-20-39(21-19-38)35(42)30-14-16-41(17-15-30)47(44,45)31-12-13-34(32(26-31)36(43)40-22-24-46-25-23-40)37-27-33(28-8-4-2-5-9-28)29-10-6-3-7-11-29/h2-13,26,30,33,37H,14-25,27H2,1H3"	""	""	""
"9382"	"NVP-TAE 226"	""	"Synthetic organic"	""	""	""	""	"328083484"	"9934347"	""	""	"CHEMBL458997"	""	""	""	""	"2-[[5-chloro-2-[(2-methoxy-4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]amino]-N-methylbenzamide"	""	"NVP-TAE226|TAE226"	"CNC(=O)c1ccccc1Nc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCOCC1"	"UYJNQQDJUOUFQJ-UHFFFAOYSA-N"	"InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)"	""	""	""
"5714"	"NVP-TAE684"	""	"Synthetic organic"	""	""	""	""	"178102340"	"16038120"	""	""	"CHEMBL509032"	""	""	""	""	"5-chloro-2-N-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-4-N-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine"	""	"NVP-TAE 684|TAE-684|TAE684"	"COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)N1CCC(CC1)N1CCN(CC1)C"	"QQWUGDVOUVUTOY-UHFFFAOYSA-N"	"InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)"	""	""	""
"10674"	"NVP‐TNKS656"	""	"Synthetic organic"	""	""	""	""	"404859121"	"136237316"	""	""	"CHEMBL2419706"	""	""	""	""	"N-(cyclopropylmethyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide"	""	"compound 43 [PMID: 23844574]|example 5 [WO2013012723A1]|NVP-TNKS-656|NVPTNKS656|TNK-S656|TNKS656"	"COc1ccc(cc1)C(=O)C1CCN(CC1)CC(=O)N(Cc1nc2CCOCc2c(=O)[nH]1)CC1CC1"	"DYGBNAYFDZEYBA-UHFFFAOYSA-N"	"InChI=1S/C27H34N4O5/c1-35-21-6-4-19(5-7-21)26(33)20-8-11-30(12-9-20)16-25(32)31(14-18-2-3-18)15-24-28-23-10-13-36-17-22(23)27(34)29-24/h4-7,18,20H,2-3,8-17H2,1H3,(H,28,29,34)"	""	""	""
"8951"	"NVS-1"	""	"Synthetic organic"	""	""	""	""	"310264732"	"117072550"	""	""	""	""	""	""	""	"N-cyclopropyl-2-(propane-1-sulfonyl)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-indol-5-yl]pyrimidin-4-amine"	""	"NVS-CECR2-1"	"CCCS(=O)(=O)c1nc(NC2CC2)cc(n1)c1ccc2c(c1)ccn2C1CC(C)(C)NC(C1)(C)C"	"XVECNLUKQDKOST-UHFFFAOYSA-N"	"InChI=1S/C27H37N5O2S/c1-6-13-35(33,34)25-29-22(15-24(30-25)28-20-8-9-20)18-7-10-23-19(14-18)11-12-32(23)21-16-26(2,3)31-27(4,5)17-21/h7,10-12,14-15,20-21,31H,6,8-9,13,16-17H2,1-5H3,(H,28,29,30)"	""	""	""
"14122"	"NVS-VHL720"	""	"Synthetic organic"	""	""	""	""	"518520749"	"170984299"	""	""	""	""	""	""	""	"(2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(1H-pyrazol-5-yl)naphthalen-1-yl]methyl]pyrrolidine-2-carboxamide"	""	""	"CC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C3=CC=CC=C23)C4=CC=NN4)O)C(C)(C)C"	"SURFMMPUSCEGRF-PUZWTLIVSA-N"	"InChI=1S/C27H33N5O4/c1-16(33)30-24(27(2,3)4)26(36)32-15-18(34)13-23(32)25(35)28-14-17-9-10-21(22-11-12-29-31-22)20-8-6-5-7-19(17)20/h5-12,18,23-24,34H,13-15H2,1-4H3,(H,28,35)(H,29,31)(H,30,33)/t18-,23+,24-/m1/s1"	""	""	""
"12694"	"NX-1607"	""	"Synthetic organic"	""	""	""	""	"483123242"	"155449671"	""	""	""	""	""	""	""	""	""	"C-7683|C7683|compound 23 [WO2020264398]|NX1607"	"C[C@H]1C[C@](C1)(C2=NN=CN2C)C3=CC(=CC=C3)N4CC5=C(C=C(CN6CCC[C@H](C)C6)C=C5C(F)(F)F)C4=O"	"HUOLMBXGHHSYHC-QWQFASRJSA-N"	"InChI=1S/C30H34F3N5O/c1-19-6-5-9-37(15-19)16-21-10-24-25(26(11-21)30(31,32)33)17-38(27(24)39)23-8-4-7-22(12-23)29(13-20(2)14-29)28-35-34-18-36(28)3/h4,7-8,10-12,18-20H,5-6,9,13-17H2,1-3H3/t19-,20-,29+/m0/s1"	""	""	""
"13257"	"NX210"	""	"Peptide"	""	""	""	""	"491300039"	"0"	""	""	""	""	""	""	""	""	""	"NX-210|NX-210c|NX210c|SCO-spondin derived peptide NX210"	""	""	""	""	""	""
"12519"	"NX-2127"	""	"Synthetic organic"	""	""	""	""	"479821309"	"167282486"	""	""	""	""	""	""	""	"3-[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide"	""	""	"NC(=O)C1=C(NC2=CC=C(C=C2)C3CCN(C[C@H]4CCN(C4)C5=CC6=C(C=C5)C(=O)N(C7CCC(=O)NC7=O)C6=O)CC3)N=C(C=N1)N8CCCCC8"	"XLWJWCMQMBVNSG-LZDHLTRGSA-N"	"InChI=1S/C39H45N9O5/c40-35(50)34-36(43-32(21-41-34)46-15-2-1-3-16-46)42-27-6-4-25(5-7-27)26-13-17-45(18-14-26)22-24-12-19-47(23-24)28-8-9-29-30(20-28)39(53)48(38(29)52)31-10-11-33(49)44-37(31)51/h4-9,20-21,24,26,31H,1-3,10-19,22-23H2,(H2,40,50)(H,42,43)(H,44,49,51)/t24-,31?/m1/s1"	"yes"	""	""
"13909"	"NXE0041178"	""	"Synthetic organic"	""	""	""	""	"513757594"	"156735500"	""	""	"CHEMBL5284353"	""	""	""	""	"1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one"	""	"compound 1 [PMID: 37077397]|HTL-0041178|HTL0041178|NXE-0041178"	"C1CNC(=O)C2=C1N(N=C2)C3=CC(=NC=C3)CC4=CC(=CC(=C4)F)C(F)(F)F"	"VASPFLVEEOBQOS-UHFFFAOYSA-N"	"InChI=1S/C19H14F4N4O/c20-13-6-11(5-12(8-13)19(21,22)23)7-14-9-15(1-3-24-14)27-17-2-4-25-18(28)16(17)10-26-27/h1,3,5-6,8-10H,2,4,7H2,(H,25,28)"	""	""	""
"14086"	"NXP800"	""	"Synthetic organic"	""	""	""	""	"518520713"	"117996795"	""	""	""	""	""	""	""	"N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-fluorophenyl]-2-[(4-ethylpiperazin-1-yl)methyl]quinoline-6-carboxamide"	""	"CCT361814|compound 22 [PMID: 37017629]|NXP-800"	"CCN1CCN(CC1)CC2=NC3=C(C=C2)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC6=C(C=C5)OCCO6)F"	"UBALMDIKIGDHJW-UHFFFAOYSA-N"	"InChI=1S/C32H32FN5O4/c1-2-37-11-13-38(14-12-37)20-25-6-3-21-17-22(4-9-27(21)34-25)32(40)36-28-19-24(7-8-26(28)33)35-31(39)23-5-10-29-30(18-23)42-16-15-41-29/h3-10,17-19H,2,11-16,20H2,1H3,(H,35,39)(H,36,40)"	""	""	""
"10381"	"NY0116"	""	"Synthetic organic"	""	""	""	""	"384403660"	"25020407"	""	""	""	""	""	""	""	"2-(2-trityloxyethyl)guanidine"	""	""	"NC(=N)NCCOC(c1ccccc1)(c1ccccc1)c1ccccc1"	"FZXFGYLHTRBHNJ-UHFFFAOYSA-N"	"InChI=1S/C22H23N3O/c23-21(24)25-16-17-26-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H4,23,24,25)"	""	""	""
"11289"	"NYX-2925"	""	"Synthetic organic"	""	""	""	""	"434321724"	"122594417"	""	""	""	""	""	""	""	"(2S,3R)-3-hydroxy-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide"	""	"NYX2925"	"CC(C(=O)N1CCC[C@@]21CN(C2=O)[C@H](C(=O)N)[C@H](O)C)C"	"NFXPEHLDVKVVKA-ISTVAULSSA-N"	"InChI=1S/C14H23N3O4/c1-8(2)12(20)17-6-4-5-14(17)7-16(13(14)21)10(9(3)18)11(15)19/h8-10,18H,4-7H2,1-3H3,(H2,15,19)/t9-,10+,14-/m1/s1"	""	""	""
"5525"	"O-1602"	""	"Synthetic organic"	""	""	""	""	"178102168"	"45073499"	""	""	""	""	""	""	""	"5-methyl-4-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol"	""	"O 1602"	"CC1=C[C@H]([C@@H](CC1)C(=C)C)c1c(C)cc(cc1O)O"	"KDZOUSULXZNDJH-LSDHHAIUSA-N"	"InChI=1S/C17H22O2/c1-10(2)14-6-5-11(3)7-15(14)17-12(4)8-13(18)9-16(17)19/h7-9,14-15,18-19H,1,5-6H2,2-4H3/t14-,15+/m0/s1"	""	""	""
"732"	"O-1812"	""	"Synthetic organic"	""	""	""	""	"135650753"	"9823107"	""	""	""	""	""	""	""	"(5Z,8Z,11Z,14Z)-20-cyano-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethylicosa-5,8,11,14-tetraenamide"	""	"O1812"	"OC[C@H](NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C(CCCCC#N)(C)C)C"	"WZQHSBKOWZOASP-QLZKPENWSA-N"	"InChI=1S/C26H42N2O2/c1-24(23-29)28-25(30)19-15-12-10-8-6-4-5-7-9-11-13-16-20-26(2,3)21-17-14-18-22-27/h4-5,8-11,16,20,24,29H,6-7,12-15,17-19,21,23H2,1-3H3,(H,28,30)/b5-4-,10-8-,11-9-,20-16-/t24-/m1/s1"	""	""	""
"6333"	"OAADPR"	""	"Metabolite"	""	""	""	""	"178102951"	"72193709"	""	""	""	""	""	""	""	"[(3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2,4-dihydroxyoxolan-3-yl] acetate"	""	"2''-O-acetyl-ADP-D-ribose|2'-<i>O</i>-acetyl-ADP-ribose|AC1MMT9E|OAADPr"	"CC(=O)O[C@H]1C(O)O[C@@H]([C@H]1O)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O"	"BFNOPXRXIQJDHO-YDKGJHSESA-N"	"InChI=1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17?/m1/s1"	""	""	""
"2436"	"OAG"	""	"Metabolite"	""	""	""	""	"135651528"	"5353264"	""	""	""	""	""	""	""	"(2-acetyloxy-3-hydroxypropyl) (E)-octadec-9-enoate"	""	"1-oleoyl-2-acetyl-<i>sn</i>-glycerol"	"CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)C)CO"	"PWTCCMJTPHCGMS-ZHACJKMWSA-N"	"InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h10-11,22,24H,3-9,12-20H2,1-2H3/b11-10+"	""	""	""
"5554"	"O-arachidonoyl ethanolamine"	""	"Metabolite"	""	""	""	""	"178102195"	"5712057"	""	""	"CHEMBL187349"	""	""	""	""	"2-aminoethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate"	""	"O-arachidonoylethanolamine|virodhamine"	"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCN"	"DLHLOYYQQGSXCC-DOFZRALJSA-N"	"InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3/b7-6-,10-9-,13-12-,16-15-"	""	""	""
"14643"	"OAT-4828"	""	"Synthetic organic"	""	""	""	""	"530846891"	"168844043"	""	""	""	""	""	""	""	"6,6-dimethyl-3-((7-(4-methyl-3-((S)-3-(methylamino)pyrrolidine-1-carbonyl)- 6-(trifluoromethyl)pyridin-2-yl)thieno[3,2-b]pyridin-2-yl)methyl)-3-azabicyclo[3.1.0]hexane- 2,4-dione"	""	"example 45 [PMID: 42090583]|Example 77 [US12404279]|OAT4828"	"CC1(C2C(N(C(C12)=O)CC3=CC4=NC=CC(=C4S3)C5=NC(=CC(=C5C(=O)N6C[C@H](CC6)NC)C)C(F)(F)F)=O)C"	"UMDAQLNUNDVRJT-YJPTXTSQSA-N"	"InChI=1S/C28H28F3N5O3S/c1-13-9-18(28(29,30)31)34-22(19(13)24(37)35-8-6-14(11-35)32-4)16-5-7-33-17-10-15(40-23(16)17)12-36-25(38)20-21(26(36)39)27(20,2)3/h5,7,9-10,14,20-21,32H,6,8,11-12H2,1-4H3/t14-,20?,21?/m0/s1"	""	""	""
"11086"	"obatoclax"	""	"Synthetic organic"	""	""	""	""	"434122147"	"46930997"	""	""	""	""	""	""	""	""	"obatoclax"	"GX-15-070|GX15-070|obatoclax mesylate|SB16622"	"COc1c/c(=C\2/C=c3c(=N2)cccc3)/[nH]/c/1=C\c1[nH]c(cc1C)C"	"CVCLJVVBHYOXDC-LKIBBAOUSA-N"	"InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21,23H,1-3H3/b18-17+,19-10-"	"yes"	""	""
"11698"	"obefazimod"	""	"Synthetic organic"	""	""	""	""	"442878724"	"49846599"	""	""	"CHEMBL4297344"	""	""	""	""	"8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine"	"obefazimod"	"ABX-464|ABX464|MMV1581032|SPL-464"	"Clc1cccc2ccc(nc12)Nc1ccc(cc1)OC(F)(F)F"	"OZOGDCZJYVSUBR-UHFFFAOYSA-N"	"InChI=1S/C16H10ClF3N2O/c17-13-3-1-2-10-4-9-14(22-15(10)13)21-11-5-7-12(8-6-11)23-16(18,19)20/h1-9H,(H,21,22)"	""	""	""
"12901"	"obeldesivir"	""	"Synthetic organic"	""	""	""	""	"485206022"	"162513664"	""	""	"CHEMBL4863829"	""	""	""	""	""	"obeldesivir"	"ATV-006|ATV006|compound 5c [PMID: 34450570]|GS-5245|GS5245"	"CC(C)C(=O)OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O"	"YIHPGVCWGSURHO-VSBTWAGUSA-N"	"InChI=1S/C16H19N5O5/c1-8(2)15(24)25-5-10-12(22)13(23)16(6-17,26-10)11-4-3-9-14(18)19-7-20-21(9)11/h3-4,7-8,10,12-13,22-23H,5H2,1-2H3,(H2,18,19,20)/t10-,12-,13-,16+/m1/s1"	""	""	""
"5337"	"obestatin"	"Mouse, Rat"	"Peptide"	""	""	""	""	"178102001"	"0"	"Q9EQX0|Q9QYH7"	"ENSMUSG00000064177|ENSRNOG00000010349"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5336"	"obestatin"	"Human"	"Peptide"	""	""	""	""	"178102000"	"0"	"Q9UBU3"	"ENSG00000157017"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3435"	"obeticholic acid"	""	"Synthetic organic"	"yes"	""	""	""	"178100437"	"447715"	""	""	"CHEMBL566315"	""	""	""	""	"(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid"	"obeticholic acid"	"6-ECDCA|6-Et CDCA|6-ethylchenodeoxycholic acid|INT-747|OCA|Ocaliva&reg;"	"CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCC(=O)O)C"	"ZXERDUOLZKYMJM-ZWECCWDJSA-N"	"InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1"	""	""	""
"14594"	"obexelimab"	""	"Antibody"	""	""	""	""	"530846842"	"0"	""	""	""	""	""	""	""	""	"obexelimab"	"XmAb5871"	""	""	""	"yes"	""	""
"12770"	"OBI-3424"	""	"Synthetic organic"	""	""	""	""	"483123318"	"126961329"	""	""	"CHEMBL4297474"	""	""	""	""	"3-[5-[(1R)-1-[bis(aziridin-1-yl)phosphoryloxy]ethyl]-2-nitrophenoxy]-N,N-dimethylbenzamide"	""	"OBI3424|TH-3424|TH3424"	"C[C@H](C1=CC(=C(C=C1)[N+](=O)[O-])OC2=CC=CC(=C2)C(=O)N(C)C)OP(=O)(N3CC3)N4CC4"	"NWGZZGNICQFUHV-OAHLLOKOSA-N"	"InChI=1S/C21H25N4O6P/c1-15(31-32(29,23-9-10-23)24-11-12-24)16-7-8-19(25(27)28)20(14-16)30-18-6-4-5-17(13-18)21(26)22(2)3/h4-8,13-15H,9-12H2,1-3H3/t15-/m1/s1"	""	""	""
"12205"	"obicetrapib"	""	"Synthetic organic"	""	""	""	""	"472319325"	"11498596"	""	""	"CHEMBL3785197"	""	""	""	""	"4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2R,4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyrimidin-5-yl]oxybutanoic acid"	"obicetrapib"	"AMG-899|DEZ-001|TA-8995|TA8995"	"CC[C@@H]1C[C@@H](c2c(N1C(=O)OCC)ccc(c2)C(F)(F)F)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)OCCCC(=O)O"	"NRWORBQAOQVYBJ-GJZUVCINSA-N"	"InChI=1S/C32H31F9N4O5/c1-3-22-14-26(24-13-19(30(33,34)35)7-8-25(24)45(22)29(48)49-4-2)44(28-42-15-23(16-43-28)50-9-5-6-27(46)47)17-18-10-20(31(36,37)38)12-21(11-18)32(39,40)41/h7-8,10-13,15-16,22,26H,3-6,9,14,17H2,1-2H3,(H,46,47)/t22-,26+/m1/s1"	""	""	""
"13342"	"obiltoxaximab"	""	"Antibody"	"yes"	""	""	""	"496703312"	"0"	""	""	"CHEMBL3544926"	""	""	""	""	""	"obiltoxaximab"	"Anthim&reg;|ETI-204|Nyxthracis&reg;"	""	""	""	""	""	"yes"
"6941"	"obinutuzumab"	""	"Antibody"	"yes"	""	""	""	"178103523"	"0"	""	""	""	""	""	""	""	""	"obinutuzumab"	"GA-101|GA101|Gazyva&reg;|Gazyvaro&reg;"	""	""	""	"yes"	""	""
"8269"	"oblimersen"	""	"Nucleic acid"	""	""	""	""	"252166481"	"118984458"	""	""	"CHEMBL2108324"	""	""	""	""	"P-thio-thymidylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-2'-deoxy-P-thio-adenylyl-(3'->5')-2'-deoxy-P-thio-guanylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-2'-deoxy-P-thio-guanylyl-(3'->5')-P-thio-thymidylyl-(3'->5')-2'-deoxy-P-thio-guanylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-2'-deoxy-P-thio-guanylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-2'-deoxy-P-thio-cytidylyl-(3'->5')-2'-deoxy-P-thio-adenylyl-(3'->5')-thymidine"	"oblimersen"	"DNA, D(P-thio)(T-C-T-C-C-C-A-G-C-G-T-G-C-G-C-C-A-T)|G3139|Genasense&reg;"	"CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=S)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=S)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=S)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=S)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=S)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=S)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=S)(O)O[C@H]%10C[C@@H](O[C@@H]%10COP(=S)(O)O[C@H]%11C[C@@H](O[C@@H]%11COP(=S)(O)O[C@H]%12C[C@@H](O[C@@H]%12COP(=S)(O)O[C@H]%13C[C@@H](O[C@@H]%13COP(=S)(O)O[C@H]%14C[C@@H](O[C@@H]%14COP(=S)(O)O[C@H]%15C[C@@H](O[C@@H]%15COP(=S)(O)O[C@H]%16C[C@@H](O[C@@H]%16COP(=S)(O)O[C@H]%17C[C@@H](O[C@@H]%17COP(=S)(O)O[C@H]%18C[C@@H](O[C@@H]%18COP(=S)(O)O[C@H]%19C[C@@H](O[C@@H]%19CO)N%20C=C(C(=O)NC%20=O)C)N%21C=CC(=NC%21=O)N)N%22C=C(C(=O)NC%22=O)C)N%23C=CC(=NC%23=O)N)N%24C=CC(=NC%24=O)N)N%25C=CC(=NC%25=O)N)N%26C=NC%27=C(N=CN=C%27%26)N)N%28C=NC%29=C%28N=C(NC%29=O)N)N%30C=CC(=NC%30=O)N)N%31C=NC%32=C%31N=C(NC%32=O)N)N%33C=C(C(=O)NC%33=O)C)N%34C=NC%35=C%34N=C(NC%35=O)N)N%36C=CC(=NC%36=O)N)N%37C=NC%38=C%37N=C(NC%38=O)N)N%39C=CC(=NC%39=O)N)N%40C=CC(=NC%40=O)N)N%41C=NC%42=C(N=CN=C%42%41)N)O"	"MIMNFCVQODTQDP-NDLVEFNKSA-N"	"InChI=1S/C172H221N62O91P17S17/c1-69-39-225(169(253)213-149(69)237)117-21-73(236)92(292-117)44-274-326(257,343)320-85-33-129(229-63-191-135-141(181)187-61-189-143(135)229)303-103(85)55-285-332(263,349)314-79-27-122(221-17-9-113(177)201-165(221)249)295-95(79)47-278-330(261,347)312-78-26-121(220-16-8-112(176)200-164(220)248)298-98(78)50-280-338(269,355)322-87-35-131(231-65-193-137-145(231)205-157(183)209-153(137)241)305-105(87)57-287-334(265,351)316-81-29-124(223-19-11-115(179)203-167(223)251)299-99(81)51-281-339(270,356)323-88-36-132(232-66-194-138-146(232)206-158(184)210-154(138)242)307-107(88)59-289-337(268,354)319-84-32-128(228-42-72(4)152(240)216-172(228)256)302-102(84)54-284-341(272,358)325-90-38-134(234-68-196-140-148(234)208-160(186)212-156(140)244)306-106(90)58-288-335(266,352)317-82-30-125(224-20-12-116(180)204-168(224)252)300-100(82)52-282-340(271,357)324-89-37-133(233-67-195-139-147(233)207-159(185)211-155(139)243)308-108(89)60-290-342(273,359)321-86-34-130(230-64-192-136-142(182)188-62-190-144(136)230)304-104(86)56-286-333(264,350)315-80-28-123(222-18-10-114(178)202-166(222)250)296-96(80)48-277-328(259,345)310-76-24-119(218-14-6-110(174)198-162(218)246)294-94(76)46-276-329(260,346)311-77-25-120(219-15-7-111(175)199-163(219)247)297-97(77)49-279-336(267,353)318-83-31-127(227-41-71(3)151(239)215-171(227)255)301-101(83)53-283-331(262,348)313-75-23-118(217-13-5-109(173)197-161(217)245)293-93(75)45-275-327(258,344)309-74-22-126(291-91(74)43-235)226-40-70(2)150(238)214-170(226)254/h5-20,39-42,61-68,73-108,117-134,235-236H,21-38,43-60H2,1-4H3,(H,257,343)(H,258,344)(H,259,345)(H,260,346)(H,261,347)(H,262,348)(H,263,349)(H,264,350)(H,265,351)(H,266,352)(H,267,353)(H,268,354)(H,269,355)(H,270,356)(H,271,357)(H,272,358)(H,273,359)(H2,173,197,245)(H2,174,198,246)(H2,175,199,247)(H2,176,200,248)(H2,177,201,249)(H2,178,202,250)(H2,179,203,251)(H2,180,204,252)(H2,181,187,189)(H2,182,188,190)(H,213,237,253)(H,214,238,254)(H,215,239,255)(H,216,240,256)(H3,183,205,209,241)(H3,184,206,210,242)(H3,185,207,211,243)(H3,186,208,212,244)/t73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,326?,327?,328?,329?,330?,331?,332?,333?,334?,335?,336?,337?,338?,339?,340?,341?,342?/m0/s1"	""	""	""
"12586"	"obrindatamab"	""	"Antibody"	""	""	""	""	"479821376"	"0"	""	""	""	""	""	""	""	""	"obrindatamab"	"(formerly orlotamab)|MGD-009|MGD009"	""	""	""	""	""	""
"13819"	"OBT076"	""	"Synthetic organic"	""	""	""	""	"507750452"	"0"	""	""	""	""	""	""	""	""	""	"MEN-1309|MEN1309|OBT-076"	""	""	""	""	""	""
"6581"	"obtustatin"	""	"Peptide"	""	""	""	""	"178103195"	"0"	"P83469"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14715"	"obudanersen"	""	"Nucleic acid"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"ION-582|ION582"	""	""	""	""	""	""
"13504"	"ocadusertib"	""	"Synthetic organic"	""	""	""	""	"500839914"	"146225852"	""	""	""	""	""	""	""	"5-benzyl-N-[(3S)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide"	"ocadusertib"	"compound I-30 [WO2021046407]|LY-3871801|LY3871801|R-552|R552"	"CC(C)(C#CC1=CC2=C(C=C1)OC[C@@H](C(=O)N2C)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4)O"	"SQBZJKIINNRUFC-SFHVURJKSA-N"	"InChI=1S/C25H25N5O4/c1-25(2,33)12-11-17-9-10-20-19(13-17)30(3)24(32)18(15-34-20)26-23(31)22-27-21(28-29-22)14-16-7-5-4-6-8-16/h4-10,13,18,33H,14-15H2,1-3H3,(H,26,31)(H,27,28,29)/t18-/m0/s1"	"yes"	""	""
"46"	"ocaperidone"	""	"Synthetic organic"	""	""	""	""	"135650754"	"71351"	""	""	"CHEMBL2104619"	""	""	""	""	"3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,9-dimethylpyrido[2,1-b]pyrimidin-4-one"	"ocaperidone"	""	"Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2C"	"ZZQNEJILGNNOEP-UHFFFAOYSA-N"	"InChI=1S/C24H25FN4O2/c1-15-4-3-10-29-23(15)26-16(2)19(24(29)30)9-13-28-11-7-17(8-12-28)22-20-6-5-18(25)14-21(20)31-27-22/h3-6,10,14,17H,7-9,11-13H2,1-2H3"	""	""	""
"12040"	"ocedurenone"	""	"Synthetic organic"	""	""	""	""	"472319163"	"75593324"	""	""	""	""	""	""	""	"4-[(3S,3aR)-3-cyclopentyl-7-(4-hydroxypiperidine-1-carbonyl)-3,3a,4,5-tetrahydropyrazolo[3,4-f]quinolin-2-yl]-2-chlorobenzonitrile"	"ocedurenone"	"Example 12 [US9468635B2]|KBP-5074|KBP5074"	"C1CCC(C1)[C@H]1[C@H]2CCc3c(C2=NN1c1cc(c(cc1)C#N)Cl)ccc(n3)C(=O)N1CCC(CC1)O"	"UXHQLGLGLZKHTC-CUNXSJBXSA-N"	"InChI=1S/C28H30ClN5O2/c29-23-15-19(6-5-18(23)16-30)34-27(17-3-1-2-4-17)22-8-9-24-21(26(22)32-34)7-10-25(31-24)28(36)33-13-11-20(35)12-14-33/h5-7,10,15,17,20,22,27,35H,1-4,8-9,11-14H2/t22-,27-/m0/s1"	""	""	""
"4672"	"ochratoxin A"	""	"Natural product"	""	""	""	""	"178101387"	"442530"	""	""	"CHEMBL589366"	""	""	""	""	"(2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]formamido}-3-phenylpropanoic acid"	""	""	"C[C@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1"	"RWQKHEORZBHNRI-BMIGLBTASA-N"	"InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1"	""	""	""
"12083"	"ocifisertib"	""	"Synthetic organic"	""	""	""	""	"472319205"	"58486178"	""	""	""	""	""	""	""	"(2'S,3R)-2'-[3-[(E)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethenyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one"	"ocifisertib"	"CFI-400945|CFI400945"	"C[C@@H]1CN(C[C@@H](O1)C)Cc1ccc(cc1)/C=C/c1n[nH]c2cc(ccc12)[C@@H]1C[C@]21C(=O)Nc1ccc(cc21)OC"	"DADASRPKWOGKCU-FVTQAUBDSA-N"	"InChI=1S/C33H34N4O3/c1-20-17-37(18-21(2)40-20)19-23-6-4-22(5-7-23)8-12-29-26-11-9-24(14-31(26)36-35-29)28-16-33(28)27-15-25(39-3)10-13-30(27)34-32(33)38/h4-15,20-21,28H,16-19H2,1-3H3,(H,34,38)(H,35,36)/b12-8+/t20-,21+,28-,33-/m0/s1"	""	""	""
"4277"	"ocinaplon"	""	"Synthetic organic"	""	""	""	""	"178101094"	"216456"	""	""	"CHEMBL2105199"	""	""	""	""	"4-{3-[(pyridin-2-yl)carbonyl]pyrazolo[1,5-a]pyrimidin-7-yl}pyridine"	"ocinaplon"	""	"O=C(c1cnn2c1nccc2c1ccncc1)c1ccccn1"	"OQJFBUOFGHPMSR-UHFFFAOYSA-N"	"InChI=1S/C17H11N5O/c23-16(14-3-1-2-7-19-14)13-11-21-22-15(6-10-20-17(13)22)12-4-8-18-9-5-12/h1-11H"	""	""	""
"14050"	"ocipumaltib"	""	"Synthetic organic"	""	""	""	""	"518520677"	"151085091"	""	""	""	""	""	""	""	"1-[6-chloro-4-[(1S)-1-methoxyethyl]-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea"	"ocipumaltib"	"compound A  [WO2023149450A1]|CTX-177|CTX177"	"ClC=1N=C2C(=C(C=NC2=CC1)NC(=O)NC=3C=NC(=C(C3)C(F)(F)F)N4N=CC=N4)[C@H](C)OC"	"MKYDKGUTYKFCHS-JTQLQIEISA-N"	"InChI=1S/C20H16ClF3N8O2/c1-10(34-2)16-14(9-25-13-3-4-15(21)31-17(13)16)30-19(33)29-11-7-12(20(22,23)24)18(26-8-11)32-27-5-6-28-32/h3-10H,1-2H3,(H2,29,30,33)/t10-/m0/s1"	"yes"	""	""
"9696"	"oclacitinib"	""	"Synthetic organic"	""	""	""	""	"348353655"	"44631938"	""	""	"CHEMBL2103874"	""	""	""	""	""	"oclacitinib"	"Apoquel&reg; (veterinary use)|PF-03394197"	"CNS(=O)(=O)C[C@@H]1CC[C@H](CC1)N(c1[nH]cnc2c1ccn2)C"	"HJWLJNBZVZDLAQ-HAQNSBGRSA-N"	"InChI=1S/C15H23N5O2S/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19)/t11-,12-"	"yes"	""	""
"7580"	"ocrelizumab"	""	"Antibody"	"yes"	""	""	""	"223365915"	"0"	""	""	""	""	""	""	""	""	"ocrelizumab"	"2H7|Ocrevus&reg;|PRO70769|RG1594"	""	""	""	"yes"	""	""
"7446"	"ocriplasmin"	""	"Peptide"	"yes"	""	""	""	"178104018"	"0"	""	""	"CHEMBL2095222"	""	""	""	""	""	""	"Jetrea&reg;|microplasmin"	""	""	""	""	""	""
"11803"	"OCT2013"	""	"Synthetic organic"	""	""	""	""	"458923838"	"3036923"	""	""	""	""	""	""	""	"2-(2,6-dimethylanilino)-N,N-diethyl-2-oxoethanamine oxide"	""	"lidocaine N-oxide"	"Cc1c(NC(=O)C[N+](CC)(CC)[O-])c(ccc1)C"	"YDVXPJXUHRROBA-UHFFFAOYSA-N"	"InChI=1S/C14H22N2O2/c1-5-16(18,6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)"	""	""	""
"4585"	"octanoic acid"	""	"Metabolite"	""	""	""	""	"178101306"	"379"	""	""	"CHEMBL324846"	""	""	""	""	"octanoic acid"	"octanoic acid"	"C8|C8:0|caprylic acid"	"CCCCCCCC(=O)O"	"WWZKQHOCKIZLMA-UHFFFAOYSA-N"	"InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)"	""	""	""
"4278"	"octanol"	""	"Metabolite"	""	""	""	""	"178101095"	"957"	""	""	"CHEMBL26215"	""	""	""	""	"octan-1-ol"	""	""	"CCCCCCCCO"	"KBPLFHHGFOOTCA-UHFFFAOYSA-N"	"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3"	""	""	""
"2149"	"octopamine"	""	"Metabolite"	""	""	""	""	"135651529"	"4581"	""	""	"CHEMBL53929"	""	""	""	""	"4-(2-amino-1-hydroxyethyl)phenol"	"octopamine"	""	"NCC(c1ccc(cc1)O)O"	"QHGUCRYDKWKLMG-UHFFFAOYSA-N"	"InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2"	""	""	""
"12265"	"Octpep-1"	""	"Peptide"	""	""	""	""	"473153853"	"165437865"	""	""	""	""	""	""	""	""	""	""	"N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O"	"GKODHHDFYJUXTK-HVCWXIAISA-N"	"InChI=1S/C58H86N12O23S/c1-28(2)21-34(48(82)61-33(58(92)93)17-20-94-5)62-53(87)39(27-72)67-55(89)46(29(3)4)68-51(85)35(22-30-11-7-6-8-12-30)63-47(81)32(15-16-42(73)74)60-49(83)36(24-44(77)78)64-50(84)37(25-45(79)80)65-52(86)38(26-71)66-54(88)40-13-9-18-69(40)57(91)41-14-10-19-70(41)56(90)31(59)23-43(75)76/h6-8,11-12,28-29,31-41,46,71-72H,9-10,13-27,59H2,1-5H3,(H,60,83)(H,61,82)(H,62,87)(H,63,81)(H,64,84)(H,65,86)(H,66,88)(H,67,89)(H,68,85)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,92,93)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,46-/m0/s1"	""	""	""
"2055"	"octreotide"	""	"Peptide"	"yes"	""	""	""	"135652471"	"383414"	""	""	"CHEMBL262746"	""	""	""	""	"10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-16-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide"	"octreotide"	"DRG-0115|Mycapssa&reg;|Oczyesa&reg;|Sandostatin&reg;|SMS 201,995"	"NCCCCC1NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(O)C)CO)NC(=O)C(Cc1ccccc1)N)Cc1c[nH]c2c1cccc2"	"DEQANNDTNATYII-UHFFFAOYSA-N"	"InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)"	""	""	""
"6995"	"octyl thiophosphatidic acid"	""	"Synthetic organic"	""	""	""	""	"178103574"	"44407389"	""	""	"CHEMBL427017"	""	""	""	""	"[(2S)-2,3-dioctoxypropoxy]-dihydroxy-sulfanylidene-$l^{5}-phosphane"	""	""	"CCCCCCCCOC[C@@H](COP(=S)(O)O)OCCCCCCCC"	"PLCCQSPJUXGEHV-IBGZPJMESA-N"	"InChI=1S/C19H41O5PS/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20,21)26)23-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,26)/t19-/m0/s1"	""	""	""
"10406"	"OD36"	""	"Synthetic organic"	""	""	""	""	"385612168"	"135567262"	""	""	""	""	""	""	""	"4-chloro-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene"	""	""	"Clc1cc2OCCOCCNc3nc4c(c(c1)c2)cnn4cc3"	"KTSDBMVHAKWDRK-UHFFFAOYSA-N"	"InChI=1S/C16H15ClN4O2/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21/h1,3,7-10H,2,4-6H2,(H,18,20)"	"yes"	""	""
"6478"	"odanacatib"	""	"Synthetic organic"	""	""	""	""	"178103092"	"10152654"	""	""	"CHEMBL481611"	""	""	""	""	"(2S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide"	"odanacatib"	"MK-0822"	"N#CC1(CC1)NC(=O)[C@H](CC(F)(C)C)N[C@H](C(F)(F)F)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)C"	"FWIVDMJALNEADT-SFTDATJTSA-N"	"InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1"	""	""	""
"14624"	"odemsertib"	""	"Synthetic organic"	""	""	""	""	"530846872"	"122638600"	""	""	"CHEMBL5639354"	""	""	""	""	"N-[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide"	"odemsertib"	"compound 127 [PMID: 37402343]|VI-176"	"CCOC1CCC(CC1)N2C=C(C(=N2)C3=C(C=CC(=N3)F)F)NC(=O)C4=CSC(=N4)C5=CNN=C5"	"WCFCQFGVNHHQKA-UHFFFAOYSA-N"	"InChI=1S/C23H23F2N7O2S/c1-2-34-15-5-3-14(4-6-15)32-11-17(21(31-32)20-16(24)7-8-19(25)30-20)28-22(33)18-12-35-23(29-18)13-9-26-27-10-13/h7-12,14-15H,2-6H2,1H3,(H,26,27)(H,28,33)"	"yes"	""	""
"11194"	"odevixibat"	""	"Synthetic organic"	"yes"	""	""	""	"434122254"	"10153627"	""	""	"CHEMBL4297588"	""	""	""	""	"(2S)-2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1λ6,2,5-benzothiadiazepin-8-yl)oxy]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]butanoic acid"	"odevixibat"	"A-4250|A4250|Bylvay&reg;|example 5 [US9694018B1]|Kayfanda&reg; (odevixibat sesquihydrate)|Unk-D-nTyr-Abu-OH (IUPAC condensed name)"	"CCCCC1(CCCC)CN(c2ccccc2)c2c(S(=O)(=O)N1)cc(c(c2)SC)OCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O)CC)c1ccc(cc1)O"	"XULSCZPZVQIMFM-IPZQJPLYSA-N"	"InChI=1S/C37H48N4O8S2/c1-5-8-19-37(20-9-6-2)24-41(26-13-11-10-12-14-26)29-21-31(50-4)30(22-32(29)51(47,48)40-37)49-23-33(43)39-34(25-15-17-27(42)18-16-25)35(44)38-28(7-3)36(45)46/h10-18,21-22,28,34,40,42H,5-9,19-20,23-24H2,1-4H3,(H,38,44)(H,39,43)(H,45,46)/t28-,34+/m0/s1"	""	""	""
"12372"	"oditrasertib"	""	"Synthetic organic"	""	""	""	""	"479821163"	"135382587"	""	""	""	""	""	""	""	"4-(3,3-difluoro-2,2-dimethylpropanoyl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepine-9-carbonitrile"	"oditrasertib"	"example 29 [WO2018213632A1]"	"CC(C)(C(F)F)C(=O)N1CCOc2c(cncc2C1)C#N"	"CSCLQCHKUAMZOY-UHFFFAOYSA-N"	"InChI=1S/C14H15F2N3O2/c1-14(2,12(15)16)13(20)19-3-4-21-11-9(5-17)6-18-7-10(11)8-19/h6-7,12H,3-4,8H2,1-2H3"	""	""	""
"14504"	"ODM-212"	""	"Synthetic organic"	""	""	""	""	"528429825"	"166073884"	""	""	""	""	""	""	""	"(4S)-N-[2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide"	""	"compound 130 [WO2022219246]|ODM212"	"COC1=C(C=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F)NC(=O)[C@H]3N(C(NC3)=O)C"	"ISXOLJFKOWBWIH-ZDUSSCGKSA-N"	"InChI=1S/C18H17F3N4O4/c1-25-13(9-23-17(25)27)16(26)24-12-7-11(4-5-14(12)28-2)29-15-6-3-10(8-22-15)18(19,20)21/h3-8,13H,9H2,1-2H3,(H,23,27)(H,24,26)/t13-/m0/s1"	""	""	""
"5234"	"ODQ"	""	"Synthetic organic"	""	""	""	""	"178101918"	"1456"	""	""	"CHEMBL598952"	""	""	""	""	"1H-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one"	""	""	"O=c1onc2n1c1ccccc1nc2"	"LZMHWZHOZLVYDL-UHFFFAOYSA-N"	"InChI=1S/C9H5N3O2/c13-9-12-7-4-2-1-3-6(7)10-5-8(12)11-14-9/h1-5H"	""	""	""
"12690"	"odronextamab"	""	"Antibody"	"yes"	""	""	""	"483123238"	"0"	""	""	""	""	""	""	""	""	"odronextamab"	"Ordspono&reg;|REGN-1979|REGN1979"	""	""	""	""	""	""
"9523"	"OF-1"	""	"Synthetic organic"	""	""	""	""	"336446909"	"35397514"	""	""	""	""	""	""	""	"4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-2-methylbenzene-1-sulfonamide"	""	"OF 1"	"COc1cc2c(cc1NS(=O)(=O)c1ccc(cc1C)Br)n(c(=O)n2C)C"	"YUNQZQREIHWDQT-UHFFFAOYSA-N"	"InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3"	""	""	""
"6778"	"ofatumumab"	""	"Antibody"	"yes"	""	""	""	"178103384"	"0"	""	""	""	""	""	""	""	""	"ofatumumab"	"Arzerra&reg;|GSK 1841157|GSK1841157|humax-CD20|Kesimpta&reg; (subcutaneous)|OMB-157|OMB157"	""	""	""	"yes"	""	""
"13227"	"ofirnoflast"	""	"Synthetic organic"	""	""	""	""	"491300009"	"162365111"	""	""	""	""	""	""	""	"1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea"	"ofirnoflast"	"example 10 [WO2021242505]|HT-6184|HT6184"	"NC=1C2=C(N=CN1)N(C=C2C3=CC(=C(C=C3)NC(=O)NC4=NOC(=C4)C5(CC5)C(F)(F)F)F)C6CC6"	"MJUUWYZZPRAKCW-UHFFFAOYSA-N"	"InChI=1S/C23H19F4N7O2/c24-14-7-11(13-9-34(12-2-3-12)20-18(13)19(28)29-10-30-20)1-4-15(14)31-21(35)32-17-8-16(36-33-17)22(5-6-22)23(25,26)27/h1,4,7-10,12H,2-3,5-6H2,(H2,28,29,30)(H2,31,32,33,35)"	"yes"	""	""
"10918"	"ofloxacin"	""	"Synthetic organic"	"yes"	""	""	""	"405560359"	"4583"	""	""	"CHEMBL4"	""	""	""	""	""	"ofloxacin"	"DL-8280|Exocin&reg; (eye drops)|Floxin&reg;|HOE-280|OFX|Tarivid&reg;"	"CN1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C"	"GSDSWSVVBLHKDQ-UHFFFAOYSA-N"	"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)"	""	""	"yes"
"9155"	"ogerin"	""	"Synthetic organic"	""	""	""	""	"374883820"	"56707820"	""	""	""	""	""	""	""	"[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol"	""	"ZINC67740571"	"OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N"	"MDGIEDNDSFMSLP-UHFFFAOYSA-N"	"InChI=1S/C17H17N5O/c18-16-20-15(14-9-5-4-8-13(14)11-23)21-17(22-16)19-10-12-6-2-1-3-7-12/h1-9,23H,10-11H2,(H3,18,19,20,21,22)"	""	""	""
"7023"	"OG-L002"	""	"Synthetic organic"	""	""	""	""	"178103602"	"56639570"	""	""	""	""	""	""	""	"3-{4-[(1R,2S)-2-aminocyclopropyl]phenyl}phenol"	""	""	"N[C@H]1C[C@@H]1c1ccc(cc1)c1cccc(c1)O"	"DSOJSZXQRJGBCW-CABCVRRESA-N"	"InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m1/s1"	""	""	""
"2195"	"OH-LVA"	""	"Peptide"	""	""	""	""	"135652359"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1467"	"OHM-11526"	""	"Peptide"	""	""	""	""	"135652360"	"0"	""	""	""	""	""	""	""	""	""	"[Phe<sup>3</sup>,Leu<sup>13</sup>]motilin (porcine)"	""	""	""	""	""	""
"13538"	"ohmefentanyl"	""	"Synthetic organic"	""	""	""	""	"500839948"	"62279"	""	""	"CHEMBL333410"	""	""	""	""	"N-[1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-4-yl]-N-phenylpropanamide"	""	"Beta-Hydroxy-3-methylfentanyl|F-7302|F7302|OMF"	"OC(CN1CC(C(CC1)N(C(CC)=O)C2=CC=CC=C2)C)C3=CC=CC=C3"	"FRPRNNRJTCONEC-UHFFFAOYSA-N"	"InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3"	""	""	""
"6705"	"o-hydroxyatorvastatin"	""	"Synthetic organic"	""	""	""	""	"178103316"	"9808225"	""	""	"CHEMBL1565"	""	""	""	""	"(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid"	""	"BMS-243887"	"O[C@@H](C[C@H](CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1O"	"CZBPKFICAYVHHM-JWQCQUIFSA-N"	"InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t24-,25-/m1/s1"	""	""	""
"12817"	"OICR-8268"	""	"Synthetic organic"	""	""	""	""	"483123365"	"166625099"	""	""	""	""	""	""	""	"N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-5-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide"	""	"compound 26e [PMID: 36948210]|OICR8268"	"O=C(N[C@H](C1=CC=C(F)C(Cl)=C1)CC(N)=O)C2=CNN=C2C3=CC=C(Cl)C=C3F"	"IPDMIUDPUBUHSU-INIZCTEOSA-N"	"InChI=1S/C19H14Cl2F2N4O2/c20-10-2-3-11(15(23)6-10)18-12(8-25-27-18)19(29)26-16(7-17(24)28)9-1-4-14(22)13(21)5-9/h1-6,8,16H,7H2,(H2,24,28)(H,25,27)(H,26,29)/t16-/m0/s1"	""	""	""
"8231"	"OICR-9429"	""	"Synthetic organic"	""	""	""	""	"249565911"	"91623360"	""	""	""	""	""	""	""	"N-[2-(4-methylpiperazin-1-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide"	""	""	"CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1cccc(c1)CN1CCOCC1"	"DJOVLOYCGXNVPI-UHFFFAOYSA-N"	"InChI=1S/C29H32F3N5O3/c1-35-7-9-37(10-8-35)26-6-5-22(21-4-2-3-20(15-21)19-36-11-13-40-14-12-36)16-25(26)34-28(39)23-18-33-27(38)17-24(23)29(30,31)32/h2-6,15-18H,7-14,19H2,1H3,(H,33,38)(H,34,39)"	""	""	""
"5349"	"okadaic acid"	""	"Natural product"	""	""	""	""	"178102011"	"446512"	""	""	"CHEMBL280487"	""	""	""	""	"(2R)-3-[(2S,5R,6R,8S)-8-[(2R,3E)-4-[(2R,4'aR,5R,6'S,8'R,8'aS)-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydro-3'H-spiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid"	""	""	"CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@H]2O)C[C@](C(=O)O)(O)C"	"QNDVLZJODHBUFM-WFXQOWMNSA-N"	"InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1"	""	""	""
"5235"	"OL135"	""	"Synthetic organic"	""	""	""	""	"178101919"	"10427006"	""	""	"CHEMBL177577"	""	""	""	""	"7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one"	""	"OL-135|ORL 135"	"O=C(c1ncc(o1)c1ccccn1)CCCCCCc1ccccc1"	"ILOIOIGZFHGSMS-UHFFFAOYSA-N"	"InChI=1S/C21H22N2O2/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2"	""	""	""
"9863"	"olafertinib"	""	"Synthetic organic"	""	""	""	""	"363894157"	"117909640"	""	""	""	""	""	""	""	""	"olafertinib"	"CK101|CK‐101|Example 153 [US20170050936A1]|RX-518|RX518"	"OCCN1CCN(CC1)c1ccc(c(c1F)F)Nc1ncc2c(n1)c(ccc2)c1cccc(c1)NC(=O)C=C"	"IDRGFNPZDVBSSE-UHFFFAOYSA-N"	"InChI=1S/C29H28F2N6O2/c1-2-25(39)33-21-7-3-5-19(17-21)22-8-4-6-20-18-32-29(35-28(20)22)34-23-9-10-24(27(31)26(23)30)37-13-11-36(12-14-37)15-16-38/h2-10,17-18,38H,1,11-16H2,(H,33,39)(H,32,34,35)"	""	""	""
"9729"	"olamkicept"	""	"Peptide"	""	""	""	""	"354702205"	"0"	""	""	""	""	""	""	""	""	"olamkicept"	"FE 999301|FE-301|FE-999301|TJ301"	""	""	""	"yes"	""	""
"10838"	"olamufloxacin"	""	"Synthetic organic"	""	""	""	""	"405560279"	"477670"	""	""	"CHEMBL2078925"	""	""	""	""	"5-amino-7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid"	"olamufloxacin"	"HSR-903|HSR903"	"N[C@@H]1CN(CC21CC2)c1c(F)c(N)c2c(c1C)n(cc(c2=O)C(=O)O)C1CC1"	"LEILBPMISZFZQK-GFCCVEGCSA-N"	"InChI=1S/C20H23FN4O3/c1-9-16-13(18(26)11(19(27)28)6-25(16)10-2-3-10)15(23)14(21)17(9)24-7-12(22)20(8-24)4-5-20/h6,10,12H,2-5,7-8,22-23H2,1H3,(H,27,28)/t12-/m1/s1"	""	""	"yes"
"47"	"olanzapine"	""	"Synthetic organic"	"yes"	""	""	""	"135650756"	"135398745"	""	""	""	""	""	""	""	"2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine"	"olanzapine"	"LY-170053|Zyprexa&reg;"	"CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C"	"WXPNDRBBWZMPQG-UHFFFAOYSA-N"	"InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3"	""	""	""
"7519"	"olaparib"	""	"Synthetic organic"	"yes"	""	""	""	"187051821"	"23725625"	""	""	"CHEMBL521686"	""	""	""	""	"4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one"	"olaparib"	"AZD-2281|AZD2281|Lynparza&reg;"	"O=C(N1CCN(CC1)C(=O)c1cc(ccc1F)Cc1n[nH]c(=O)c2c1cccc2)C1CC1"	"FDLYAMZZIXQODN-UHFFFAOYSA-N"	"InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)"	""	""	""
"9674"	"olaptesed pegol"	""	"Nucleic acid"	""	""	""	""	"348353633"	""	""	""	""	""	""	""	""	""	"olaptesed pegol"	"NOX-A12"	""	""	""	"yes"	""	""
"9172"	"olaratumab"	""	"Antibody"	"yes"	""	""	""	"315661255"	"0"	""	""	""	""	""	""	""	""	"olaratumab"	"IMC-3G3|Lartruvo&reg;|LY3012207"	""	""	""	""	""	""
"14425"	"olatorepatide"	""	"Peptide"	""	""	""	""	"523352217"	"0"	""	""	""	""	""	""	""	""	"olatorepatide"	"HS-20094|HS20094"	""	""	""	""	""	""
"702"	"olcegepant"	""	"Synthetic organic"	""	""	""	""	"135649990"	"6918509"	""	""	"CHEMBL207197"	""	""	""	""	"N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide"	"olcegepant"	"BIBN 4096 BS|BIBN4096BS"	"NCCCC[C@@H](C(=O)N1CCN(CC1)c1ccncc1)NC(=O)[C@H](NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)Cc1cc(Br)c(c(c1)Br)O"	"ITIXDWVDFFXNEG-JHOUSYSJSA-N"	"InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1"	""	""	""
"284"	"oleamide"	""	"Metabolite"	""	""	""	""	"135651530"	"5283387"	""	""	"CHEMBL15927"	""	""	""	""	"(Z)-octadec-9-enamide"	""	"ODA"	"CCCCCCCC/C=C\CCCCCCCC(=O)N"	"FATBGEAMYMYZAF-KTKRTIGZSA-N"	"InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-"	""	""	""
"13280"	"oleandomycin"	""	"Natural product"	"yes"	""	""	""	"491300062"	"72493"	""	""	"CHEMBL606258"	""	""	""	""	"(3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione"	"oleandomycin"	"amimycin|landomycin|Matromycin&reg;|P.A.105|Romicil&reg;"	"C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C"	"RZPAKFUAFGMUPI-QESOVKLGSA-N"	"InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1"	""	""	"yes"
"12618"	"oleandrin"	""	"Natural product"	""	""	""	""	"479821408"	"11541511"	""	""	"CHEMBL4285883"	""	""	""	""	"[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate"	""	"foliandrin|neriolin|PBI-05204 (mixture of botanical compounds)|PBI05204"	"C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O"	"JLPDBLFIVFSOCC-XYXFTTADSA-N"	"InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1"	""	""	""
"3306"	"oleanolic acid"	""	"Natural product"	""	""	""	""	"178100342"	"10494"	""	""	"CHEMBL168"	""	""	""	""	"(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid"	""	"oleanic acid"	"O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C"	"MIJYXULNPSFWEK-GTOFXWBISA-N"	"InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1"	""	""	"yes"
"9596"	"oleclumab"	""	"Antibody"	""	""	""	""	"340590226"	"0"	""	""	""	""	""	""	""	""	"oleclumab"	"MEDI 9447|MEDI-9447"	""	""	""	"yes"	""	""
"1054"	"oleic acid"	""	"Metabolite"	""	""	""	""	"135651531"	"445639"	""	""	"CHEMBL8659"	""	""	""	""	"(Z)-Octadec-9-enoic acid"	""	"C18:1|oleate"	"CCCCCCCC/C=C\CCCCCCCC(=O)O"	"ZQPPMHVWECSIRJ-KTKRTIGZSA-N"	"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-"	""	""	""
"6308"	"oleocanthal"	""	"Natural product"	""	""	""	""	"178102927"	"11652416"	""	""	"CHEMBL2172394"	""	""	""	""	"2-(4-hydroxyphenyl)ethyl (E,3S)-4-formyl-3-(2-oxoethyl)hex-4-enoate"	""	"(-)-oleocanthal"	"O=CC[C@H](/C(=C\C)/C=O)CC(=O)OCCc1ccc(cc1)O"	"VPOVFCBNUOUZGG-VAKDEWRISA-N"	"InChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/b14-2-/t15-/m0/s1"	""	""	""
"2386"	"oleoyl-CoA"	""	"Metabolite"	""	""	""	""	"135651532"	"5497111"	""	""	""	""	""	""	""	"S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (Z)-octadec-9-enethioate"	""	"oleoyl-coenzyme A"	"CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O"	"XDUHQPOXLUAVEE-BPMMELMSSA-N"	"InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/m1/s1"	""	""	""
"3623"	"oleoyl-lysophosphatidylcholine"	""	"Synthetic organic"	""	""	""	""	"178100540"	"16081932"	""	""	"CHEMBL3093102"	""	""	""	""	"[(2R)-2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-trimethylazaniumylethyl phosphate"	""	"LPC 18:1|lysolecithin|lysophosphatidylcholine(18:1)|OLPC"	"CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(OCC[N+](C)(C)C)[O-])O"	"YAMUFBLWGFFICM-PTGWMXDISA-N"	"InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1"	""	""	""
"6983"	"oleoyl-thiophosphate"	""	"Synthetic organic"	""	""	""	""	"178103562"	"73755251"	""	""	""	""	""	""	""	"[[(Z)-octadec-9-enoyl]oxy-[(Z)-octadec-9-enoyl]sulfanylphosphoryl] (Z)-octadec-9-enoate"	""	""	"CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)(SC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC"	"VZTWVTAPKVGVJL-IUPFWZBJSA-N"	"InChI=1S/C54H99O6PS/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52(55)59-61(58,60-53(56)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)62-54(57)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-51H2,1-3H3/b28-25-,29-26-,30-27-"	""	""	""
"8542"	"olesoxime"	""	"Synthetic organic"	""	""	""	""	"252166743"	"21763506"	""	""	""	""	""	""	""	"(NZ)-N-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine"	"olesoxime"	"cholest-4-en-3-one, oxime|TRO-19622|TRO19622"	"O/N=C\1/CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCCC(C)C)C)C)C"	"QNTASHOAVRSLMD-FCARAQADSA-N"	"InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25,29H,6-16H2,1-5H3/b28-21-/t19-,22+,23-,24+,25+,26+,27-/m1/s1"	""	""	""
"11027"	"oleuropein"	""	"Natural product"	""	""	""	""	"405560468"	"5281544"	""	""	"CHEMBL1911053"	""	""	""	""	"methyl (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate"	""	""	"OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H](/C/2=C\C)CC(=O)OCCc2ccc(c(c2)O)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O"	"RFWGABANNQMHMZ-ZCHJGGQASA-N"	"InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3+/t14-,18+,20+,21-,22+,24-,25-/m0/s1"	""	""	"yes"
"13658"	"olezarsen"	""	"Nucleic acid"	"yes"	""	""	""	"507750292"	"0"	""	""	""	""	""	""	""	""	"olezarsen"	"AKCEA-APOCIII-LRX|IONIS-APOCIII-LRX|ISIS-678354|ISIS-APOCIII-LRX|Tryngolza&reg;"	""	""	""	""	""	""
"13926"	"olgotrelvir"	""	"Synthetic organic"	"yes"	""	""	""	"513757611"	"166157331"	""	""	""	""	""	""	""	"(2S)-1-hydroxy-2-[[(2S)-2-(1H-indole-2-carbonylamino)-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid"	"olgotrelvir"	"Ovydso&reg;|STI-1558|STI1558"	"CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)C2=CC3=CC=CC=C3N2"	"IICZZAVAIPTWCL-HBIMBUPRSA-N"	"InChI=1S/C22H30N4O7S/c1-12(2)9-16(25-21(29)17-10-13-5-3-4-6-15(13)24-17)20(28)26-18(22(30)34(31,32)33)11-14-7-8-23-19(14)27/h3-6,10,12,14,16,18,22,24,30H,7-9,11H2,1-2H3,(H,23,27)(H,25,29)(H,26,28)(H,31,32,33)/t14-,16-,18-,22?/m0/s1"	""	""	""
"7334"	"oliceridine"	""	"Synthetic organic"	"yes"	""	""	""	"178103906"	"66553195"	""	""	"CHEMBL2443262"	""	""	""	""	"[(3-methoxythiophen-2-yl)methyl]({2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]ethyl})amine"	"oliceridine"	"Olinvyk&reg;|TRV130|TRV130A"	"COc1ccsc1CNCC[C@]1(CCOC2(C1)CCCC2)c1ccccn1"	"DMNOVGJWPASQDL-OAQYLSRUSA-N"	"InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1"	""	""	""
"14253"	"OLIG2 inhibitor B01"	""	"Synthetic organic"	""	""	""	""	"521588893"	"177746924"	""	""	""	""	""	""	""	"1-(6-aminopyrimidin-4-yl)-3-(3,4-dichlorophenyl)urea"	""	""	"NC1=CC(NC(=O)NC2=CC(Cl)=C(Cl)C=C2)=NC=N1"	"XORVGXRQCYTIJZ-UHFFFAOYSA-N"	"InChI=1S/C11H9Cl2N5O/c12-7-2-1-6(3-8(7)13)17-11(19)18-10-4-9(14)15-5-16-10/h1-5H,(H4,14,15,16,17,18,19)"	""	""	""
"13863"	"oligoporin D"	""	"Natural product"	""	""	""	""	"513757548"	"175670498"	""	""	""	""	""	""	""	"(2Z,6R)-6-[(1R,3aR,5aR,9aS,10S,11aR)-3a,6,6,9a,11a-pentamethyl-7-oxo-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid"	""	"compound 3 [PMID: 39945763]"	"[H][C@@]1(CC[C@@]2(C)C3=C([C@H](C[C@]12C)O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC3)[C@H](C)CC/C=C(/C)\C(O)=O"	"APDNSUHAGKGSQR-OSKYBYICSA-N"	"InChI=1S/C36H56O9/c1-19(9-8-10-20(2)31(42)43)21-13-16-35(6)22-11-12-25-33(3,4)26(38)14-15-34(25,5)27(22)23(17-36(21,35)7)44-32-30(41)29(40)28(39)24(18-37)45-32/h10,19,21,23-25,28-30,32,37,39-41H,8-9,11-18H2,1-7H3,(H,42,43)/b20-10-/t19-,21-,23+,24-,25+,28-,29+,30-,32-,34+,35+,36-/m1/s1"	""	""	""
"10213"	"olinciguat"	""	"Synthetic organic"	""	""	""	""	"381744895"	"90445883"	""	""	""	""	""	""	""	"(2~{R})-3,3,3-trifluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide"	"olinciguat"	"IW-1701|IW1701"	"NC(=O)[C@@](C(F)(F)F)(CNc1nc(ncc1F)c1nn(c(c1)c1nocc1)Cc1ccccc1F)O"	"YWQFJNWMWZMXRW-HXUWFJFHSA-N"	"InChI=1S/C21H16F5N7O3/c22-12-4-2-1-3-11(12)9-33-16(14-5-6-36-32-14)7-15(31-33)18-28-8-13(23)17(30-18)29-10-20(35,19(27)34)21(24,25)26/h1-8,35H,9-10H2,(H2,27,34)(H,28,29,30)/t20-/m1/s1"	"yes"	""	""
"11116"	"olisutrigine"	""	"Synthetic organic"	""	""	""	""	"434122176"	"60148469"	""	""	""	""	""	""	""	"N-[2-[(2R)-1,1-dimethylpiperidin-1-ium-2-yl]ethyl]-N-(2-methylphenyl)-2,3-dihydro-1H-inden-2-amine"	"olisutrigine bromide"	"ASN-008|ASN008"	"Cc1ccccc1N(C1Cc2c(C1)cccc2)CC[C@H]1CCCC[N+]1(C)C"	"MSOHOVLMACCLHW-XMMPIXPASA-N"	"InChI=1S/C25H35N2/c1-20-10-4-7-14-25(20)26(16-15-24-13-8-9-17-27(24,2)3)23-18-21-11-5-6-12-22(21)19-23/h4-7,10-12,14,23-24H,8-9,13,15-19H2,1-3H3/q+1/t24-/m1/s1"	""	""	""
"12148"	"olitigaltin"	""	"Synthetic organic"	""	""	""	""	"472319270"	"73774610"	""	""	"CHEMBL4297442"	""	""	""	""	""	"olitigaltin"	"GB-0139|GB0139|TD-139|TD139"	"c1cc(cc(c1)F)c1cn(nn1)[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)n1cc(nn1)c1cc(ccc1)F)O)CO)O"	"YGIDGBAHDZEYMT-MQFIMZJJSA-N"	"InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1"	""	""	""
"12811"	"olivanic acid"	""	"Natural product"	""	""	""	""	"483123359"	"6438396"	""	""	""	""	""	""	""	"3-[(E)-2-aminoethenyl]sulfanyl-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	""	""	"CC(C1C2CC(=C(N2C1=O)C(=O)O)S/C=C/N)O"	"HFTVKHFILHLXJF-NSCUHMNNSA-N"	"InChI=1S/C11H14N2O4S/c1-5(14)8-6-4-7(18-3-2-12)9(11(16)17)13(6)10(8)15/h2-3,5-6,8,14H,4,12H2,1H3,(H,16,17)/b3-2+"	""	""	"yes"
"591"	"olmesartan"	""	"Synthetic organic"	"yes"	""	""	""	"135650757"	"130881"	""	""	"CHEMBL1200692"	""	""	""	""	"(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate"	"olmesartan medoxomil"	"Benicar&reg;|CS-866|Olmetec&reg;"	"CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C"	"UQGKUQLKSCSZGY-UHFFFAOYSA-N"	"InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)"	""	""	""
"9196"	"olmutinib"	""	"Synthetic organic"	"yes"	""	""	""	"315661275"	"54758501"	""	""	""	""	""	""	""	"N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide"	"olmutinib"	"BI-1482694|Example 1 [US20130116213]|HM-61713|HM61713"	"C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(cc2)N2CCN(CC2)C)nc2c1scc2"	"FDMQDKQUTRLUBU-UHFFFAOYSA-N"	"InChI=1S/C26H26N6O2S/c1-3-23(33)27-19-5-4-6-21(17-19)34-25-24-22(11-16-35-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)"	""	""	""
"8374"	"olodanrigan"	""	"Synthetic organic"	""	""	""	""	"252166586"	"9937291"	""	""	"CHEMBL34124"	""	""	""	""	"(3S)-2-(2,2-diphenylacetyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid"	"olodanrigan"	"[S]-enantiomer of EMA400|[S]-enantiomer of PD-126,055|EMA-401|EMA401"	"COc1ccc2c(c1OCc1ccccc1)C[C@H](N(C2)C(=O)C(c1ccccc1)c1ccccc1)C(=O)O"	"GHBCIXGRCZIPNQ-MHZLTWQESA-N"	"InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/t27-/m0/s1"	""	""	""
"7543"	"olodaterol"	""	"Synthetic organic"	"yes"	""	""	""	"187051844"	"11504295"	""	""	"CHEMBL605846"	""	""	""	""	"6-hydroxy-8-[(1R)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one"	"olodaterol"	"BI-1744|BI-1744-CL|Striverdi&reg;"	"COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C"	"COUYJEVMBVSIHV-SFHVURJKSA-N"	"InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1"	"yes"	""	""
"11601"	"olokizumab"	""	"Antibody"	""	""	""	""	"442878635"	"0"	""	""	""	""	""	""	""	""	"olokizumab"	"CDP 6038|CDP-6038|CDP6038"	""	""	""	""	""	""
"14417"	"olomorasib"	""	"Synthetic organic"	""	""	""	""	"523352209"	"156472638"	""	""	"CHEMBL6068410"	""	""	""	""	"4-[(13aS)-10-chloro-8-fluoro-6-oxo-2-prop-2-enoyl-1,3,4,12,13,13a-hexahydropyrazino[2,1-d][1,5]benzoxazocin-9-yl]-2-amino-7-fluoro-1-benzothiophene-3-carbonitrile"	"olomorasib"	"LY-3537982|LY3537982"	"C=CC(=O)N1CCN2[C@H](C1)CCOC3=C(C(=C(C=C3C2=O)F)C4=C5C(=C(SC5=C(C=C4)F)N)C#N)Cl"	"OZUPICRWMLEFCS-LBPRGKRZSA-N"	"InChI=1S/C25H19ClF2N4O3S/c1-2-18(33)31-6-7-32-12(11-31)5-8-35-22-14(25(32)34)9-17(28)20(21(22)26)13-3-4-16(27)23-19(13)15(10-29)24(30)36-23/h2-4,9,12H,1,5-8,11,30H2/t12-/m0/s1"	""	""	""
"7249"	"olopatadine"	""	"Synthetic organic"	"yes"	""	""	""	"178103823"	"5281071"	""	""	"CHEMBL1189432"	""	""	""	""	"2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid"	"olopatadine"	"ALO-4943A|KW-4679|Opatanol&reg;|Patanol&reg;|Pazeo&reg;"	"CN(CC/C=C/1\c2cc(ccc2OCc2c1cccc2)CC(=O)O)C"	"JBIMVDZLSHOPLA-LSCVHKIXSA-N"	"InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-"	"yes"	""	""
"14656"	"olorigliflozin"	""	"Synthetic organic"	"yes"	""	""	""	"530846904"	"122660464"	""	""	"CHEMBL5314927"	""	""	""	""	"(1R,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-[(1R)-1-hydroxyethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol"	"olorigliflozin"	"DJT1116PG|Dongze'an&reg; (China)|rongliflozin"	"CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@@]34[C@@H]([C@H]([C@@H]([C@@](O3)(CO4)[C@@H](C)O)O)O)O)Cl"	"KODGTDKHPNYCCJ-YWRILDCISA-N"	"InChI=1S/C23H27ClO7/c1-3-29-17-7-4-14(5-8-17)10-15-11-16(6-9-18(15)24)23-21(28)19(26)20(27)22(31-23,12-30-23)13(2)25/h4-9,11,13,19-21,25-28H,3,10,12H2,1-2H3/t13-,19+,20+,21-,22-,23+/m1/s1"	""	""	""
"10058"	"olorinab"	""	"Synthetic organic"	""	""	""	""	"375973246"	"60164925"	""	""	""	""	""	""	""	""	"olorinab"	"APD-371|APD371|compound 6 [PMID: 29259753]"	"OC[C@H](C(C)(C)C)NC(=O)c1nn(c2c1C[C@H]1[C@@H]2C1)c1ncc[n+](c1)[O-]"	"ACSQLTBPYZSGBA-GMXVVIOVSA-N"	"InChI=1S/C18H23N5O3/c1-18(2,3)13(9-24)20-17(25)15-12-7-10-6-11(10)16(12)23(21-15)14-8-22(26)5-4-19-14/h4-5,8,10-11,13,24H,6-7,9H2,1-3H3,(H,20,25)/t10-,11-,13+/m0/s1"	""	""	""
"13709"	"olpasiran"	""	"Nucleic acid"	""	""	""	""	"507750343"	"0"	""	""	""	""	""	""	""	""	"olpasiran"	"AMG-890|AMG890"	""	""	""	""	""	""
"11578"	"olsalazine"	""	"Synthetic organic"	"yes"	""	""	""	"441604950"	"22419"	""	""	"CHEMBL425"	""	""	""	""	"5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid"	"olsalazine"	"CJ-91B|CJ91B|Dipentum&reg;"	"OC(=O)c1cc(N=Nc2ccc(c(c2)C(=O)O)O)ccc1O"	"QQBDLJCYGRGAKP-UHFFFAOYSA-N"	"InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)"	""	""	""
"10319"	"olutasidenib"	""	"Synthetic organic"	"yes"	""	""	""	"381745000"	"118955396"	""	""	""	""	""	""	""	"5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile"	"olutasidenib"	"example 26 [US9834539B2]|FT-2102|FT2102|Rezlidhia&reg;"	"N#Cc1ccc(c(=O)n1C)N[C@H](c1cc2cc(Cl)ccc2[nH]c1=O)C"	"NEQYWYXGTJDAKR-JTQLQIEISA-N"	"InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1"	""	""	""
"2488"	"olvanil"	""	"Synthetic organic"	""	""	""	""	"135650758"	"5311093"	""	""	"CHEMBL76903"	""	""	""	""	"(Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide"	"olvanil"	""	"CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccc(c(c1)OC)O"	"OPZKBPQVWDSATI-KHPPLWFESA-N"	"InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)/b11-10-"	""	""	""
"10630"	"olverembatinib"	""	"Synthetic organic"	"yes"	""	""	""	"404859077"	"51038269"	""	""	"CHEMBL2316582"	""	""	""	""	"4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide"	"olverembatinib"	"compound 10a [PMID: 23301703]|GZD-824|GZD824|HQP-1351|HQP1351"	"CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc2c(c1)cn[nH]2)C"	"TZKBVRDEOITLRB-UHFFFAOYSA-N"	"InChI=1S/C29H27F3N6O/c1-19-3-5-22(14-21(19)6-4-20-13-24-17-34-36-27(24)33-16-20)28(39)35-25-8-7-23(26(15-25)29(30,31)32)18-38-11-9-37(2)10-12-38/h3,5,7-8,13-17H,9-12,18H2,1-2H3,(H,35,39)(H,33,34,36)"	"yes"	""	""
"11082"	"OM-1700"	""	"Synthetic organic"	""	""	""	""	"434122143"	"146282358"	""	""	""	""	""	""	""	"3-(trans-3-(5-(5-Ethoxypyridin-2-yl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)cyclobutyl)picolinamide"	""	"compound 13 [PMID: 32511917]|OM1700"	"CCOc1ccc(nc1)c1nnc(n1c1ccccc1F)[C@@H]1C[C@H](C1)NC(=O)c1ccccn1"	"ZBRBBDJXHBEGHX-QAQDUYKDSA-N"	"InChI=1S/C25H23FN6O2/c1-2-34-18-10-11-20(28-15-18)24-31-30-23(32(24)22-9-4-3-7-19(22)26)16-13-17(14-16)29-25(33)21-8-5-6-12-27-21/h3-12,15-17H,2,13-14H2,1H3,(H,29,33)/t16-,17-"	""	""	""
"7454"	"omacetaxine mepesuccinate"	""	"Natural product"	"yes"	""	""	""	"187051757"	"285033"	""	""	"CHEMBL46286"	""	""	""	""	""	"omacetaxine mepesuccinate"	"CGX-635|HHT|homoharringtonine|Myelostat&reg;|Synribo&reg;"	"COC(=O)C[C@@](C(=O)O[C@@H]1C(=C[C@]23[C@@H]1c1cc4OCOc4cc1CCN3CCC2)OC)(CCCC(O)(C)C)O"	"HYFHYPWGAURHIV-JFIAXGOJSA-N"	"InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1"	""	""	""
"10839"	"omadacycline"	""	"Synthetic organic"	"yes"	""	""	""	"405560280"	"54697325"	""	""	"CHEMBL1689772"	""	""	""	""	"(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide"	"omadacycline"	"amadacycline|compound 6 [PMID: 21302930]|Nuzyra&reg;|PTK-0796|PTK0796"	"CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(cc(c(c3C(=C1C2=O)O)O)CNCC(C)(C)C)N(C)C)O)O)C(=O)N)C"	"VJYKVCURWJGLPG-IQZGDKDPSA-N"	"InChI=1S/C29H40N4O7/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34/h10,13,16,21,31,34-35,38,40H,8-9,11-12H2,1-7H3,(H2,30,39)/t13-,16-,21-,29-/m0/s1"	""	""	"yes"
"6890"	"omalizumab"	""	"Antibody"	"yes"	""	""	""	"178103472"	"0"	""	""	""	""	""	""	""	""	"omalizumab"	"IGE25|olizumab|R03DX05|RG-3648|rhumab-E25|Xolair&reg;"	""	""	""	"yes"	""	""
"8402"	"omarigliptin"	""	"Synthetic organic"	""	""	""	""	"252166612"	"46209133"	""	""	"CHEMBL2105762"	""	""	""	""	"(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine"	""	"MK-3102|MK3102"	"Fc1ccc(c(c1)[C@H]1OC[C@@H](C[C@@H]1N)N1Cc2c(C1)cn(n2)S(=O)(=O)C)F"	"MKMPWKUAHLTIBJ-ISTRZQFTSA-N"	"InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1"	""	""	""
"7573"	"omaveloxolone"	""	"Synthetic organic"	"yes"	""	""	""	"223365909"	"71811910"	""	""	""	""	""	""	""	"N-[(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl]-2,2-difluoropropanamide"	"omaveloxolone"	"RTA 408|RTA-408|Skyclarys&reg;"	"N#CC1=C[C@@]2(C)[C@H](C(C1=O)(C)C)CC[C@@]1(C2=CC(=O)[C@H]2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)NC(=O)C(F)(F)C)C"	"RJCWBNBKOKFWNY-IDPLTSGASA-N"	"InChI=1S/C33H44F2N2O3/c1-27(2)11-13-33(37-26(40)32(8,34)35)14-12-31(7)24(20(33)17-27)21(38)15-23-29(5)16-19(18-36)25(39)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3,(H,37,40)/t20-,22-,24-,29-,30+,31+,33-/m0/s1"	"yes"	""	""
"11272"	"ombitasvir"	""	"Synthetic organic"	"yes"	"yes"	""	""	"434321707"	"54767916"	""	""	"CHEMBL3127326"	""	""	""	""	"methyl N-[(2S)-1-[(2S)-2-[[4-[(2S,5S)-1-(4-tert-butylphenyl)-5-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate"	"ombitasvir"	"ABT-267|ABT267|compound 38 [PMID: 24400777]|Technivie&reg; (ombitasvir  + paritaprevir  + ritonavir)|Viekirax&reg; (ombitasvir + paritaprevir + ritonavir; EU)"	"COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)C(C)C"	"PIDFDZJZLOTZTM-KHVQSSSXSA-N"	"InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1"	""	""	""
"8740"	"omecamtiv mecarbil"	""	"Synthetic organic"	""	""	""	""	"252827398"	"11689883"	""	""	"CHEMBL1800955"	""	""	""	""	"methyl 4-[[2-fluoro-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate"	"omecamtiv mecarbil"	"AMG 423|AMG-423|CK-1827452"	"COC(=O)N1CCN(CC1)Cc1cccc(c1F)NC(=O)Nc1ccc(nc1)C"	"RFUBTTPMWSKEIW-UHFFFAOYSA-N"	"InChI=1S/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27)"	""	""	""
"2528"	"&omega;-agatoxin IIIA"	""	"Peptide"	""	""	""	""	"135652361"	"0"	"P33034"	""	""	""	""	""	""	""	""	"omega-Aga-IIIA|Omega-agatoxin-Aa3a"	""	""	""	""	""	""
"2529"	"&omega;-agatoxin IVA"	""	"Peptide"	""	""	""	""	"135652362"	"0"	"P30288"	""	""	""	""	""	""	""	""	"omega-Aga-IVA|Omega-agatoxin-Aa4a"	""	""	""	""	""	""
"2530"	"&omega;-agatoxin IVB"	""	"Peptide"	""	""	""	""	"135652363"	"0"	"P37045"	""	""	""	""	""	""	""	""	"Omega-agatoxin-Aa4b"	""	""	""	""	""	""
"6285"	"omega-chloroacetophenone"	""	"Synthetic organic"	""	""	""	""	"178102905"	"10757"	""	""	"CHEMBL105712"	""	""	""	""	"2-Chloro-1-phenylethanone"	""	"chloromethyl phenyl ketone|mace (lacrimator)|phenacyl chloride|tear gas"	"ClCC(=O)c1ccccc1"	"IMACFCSSMIZSPP-UHFFFAOYSA-N"	"InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2"	""	""	""
"2531"	"&omega;-conotoxin CVIA"	""	"Peptide"	""	""	""	""	"135652364"	"0"	"P58917"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2532"	"&omega;-conotoxin CVIB"	""	"Peptide"	""	""	""	""	"135652365"	"0"	"P58918"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2533"	"&omega;-conotoxin CVIC"	""	"Peptide"	""	""	""	""	"135652366"	"0"	"P58919"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2534"	"&omega;-conotoxin CVID"	""	"Peptide"	""	""	""	""	"135652367"	"0"	"P58920"	""	""	""	""	""	""	""	""	"AM-336|AM336|CNSB004|leconotide"	""	""	""	""	""	""
"2535"	"&omega;-conotoxin GVIA"	""	"Peptide"	""	""	""	""	"135652368"	"16132374"	"P01522"	""	""	""	""	""	""	""	""	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)CS)CCCNC(=N)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)N)CCCCN)CO)O)CO)CO)CS)CO)O)CO)Cc1ccc(cc1)O)CC(=O)N)CS)CS)CCCNC(=N)N)CO)CS)CC(=O)N)O)Cc1ccc(cc1)O"	"XJKFZICVAPPHCK-NZPQQUJLSA-N"	"InChI=1S/C120H188N38O43S6/c1-53(165)91(114(197)138-66(10-4-6-26-122)95(178)136-68(12-8-28-132-120(129)130)98(181)149-81(49-204)107(190)139-69(93(126)176)29-55-13-19-58(167)20-14-55)154-101(184)71(31-57-17-23-60(169)24-18-57)142-112(195)86-33-62(171)39-157(86)116(199)73(36-89(125)174)143-108(191)82(50-205)151-104(187)75(42-160)144-96(179)67(11-7-27-131-119(127)128)137-106(189)80(48-203)153-110(193)84(52-207)150-100(183)72(35-88(124)173)141-99(182)70(30-56-15-21-59(168)22-16-56)140-103(186)77(44-162)146-115(198)92(54(2)166)155-113(196)87-34-63(172)40-158(87)118(201)79(46-164)148-109(192)83(51-206)152-105(188)76(43-161)145-102(185)74(41-159)134-90(175)37-133-111(194)85-32-61(170)38-156(85)117(200)78(45-163)147-97(180)65(9-3-5-25-121)135-94(177)64(123)47-202/h13-24,53-54,61-87,91-92,159-172,202-207H,3-12,25-52,121-123H2,1-2H3,(H2,124,173)(H2,125,174)(H2,126,176)(H,133,194)(H,134,175)(H,135,177)(H,136,178)(H,137,189)(H,138,197)(H,139,190)(H,140,186)(H,141,182)(H,142,195)(H,143,191)(H,144,179)(H,145,185)(H,146,198)(H,147,180)(H,148,192)(H,149,181)(H,150,183)(H,151,187)(H,152,188)(H,153,193)(H,154,184)(H,155,196)(H4,127,128,131)(H4,129,130,132)/t53-,54-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,91+,92+/m1/s1"	""	""	""
"2537"	"&omega;-conotoxin MVIIC"	""	"Peptide"	""	""	""	""	"135652370"	"0"	"P37300"	""	""	""	""	""	""	""	""	"&omega;-CTx-MVIIC|SNX-230"	""	""	""	""	""	""
"2538"	"&omega;-conotoxin MVIID"	""	"Peptide"	""	""	""	""	"53801054"	"0"	"Q26350"	""	""	""	""	""	""	""	""	"SNX-238"	""	""	""	""	""	""
"2539"	"&omega;-grammotoxin SIA"	""	"Peptide"	""	""	""	""	"135652371"	"0"	"P60590"	""	""	""	""	""	""	""	""	"&omega;-GrTx SIA|omega-grammotoxin SIA|omega-GsTx SIA|omega-GTX SIA"	""	""	""	""	""	""
"11005"	"&omega;-Hydroxyemodin"	""	"Natural product"	""	""	""	""	"405560446"	"361512"	""	""	"CHEMBL290932"	""	""	""	""	"1,3,8-trihydroxy-6-(hydroxymethyl)anthracene-9,10-dione"	""	"Citreorosein|omega-Hydroxyemodin"	"OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O"	"YQHZABGPIPECSQ-UHFFFAOYSA-N"	"InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2"	""	""	"yes"
"2540"	"&omega;-phonetoxin-IIA"	""	"Peptide"	""	""	""	""	"135652372"	"0"	"P81790"	""	""	""	""	""	""	""	""	"&omega;-phonetoxin-2A|Neurotoxin Tx3-4|Omega-ctenitoxin-Pn3a|Phoneutriatoxin 3-4"	""	""	""	""	""	""
"2541"	"&omega;-PnTx3-3"	""	"Peptide"	""	""	""	""	"135652373"	"0"	"P81789"	""	""	""	""	""	""	""	""	"&omega;-CNTX-Pn2a|&omega;-ctenitoxin-Pn2a|Neurotoxin Tx3-3|PnTx3-3"	""	""	""	""	""	""
"4279"	"omeprazole"	""	"Synthetic organic"	"yes"	""	""	""	"178101096"	"4594"	""	""	"CHEMBL1503"	""	""	""	""	"5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl}-1H-1,3-benzodiazole"	"omeprazole"	"H 168/68|Losec&reg;|Prilosec&reg;"	"COc1ccc2c(c1)nc([nH]2)S(=O)Cc1ncc(c(c1C)OC)C"	"SUBDBMMJDZJVOS-UHFFFAOYSA-N"	"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)"	""	""	""
"10315"	"omidenepag"	""	"Synthetic organic"	"yes"	""	""	""	"381744996"	"44230575"	""	""	"CHEMBL3707245"	""	""	""	""	"2-[[6-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]pyridin-2-yl]amino]acetic acid"	"omidenepag"	"DE-117 (omidenepag isopropyl ophthalmic solution)|Omlonti&reg;|UR-7276|UR7276"	"OC(=O)CNc1cccc(n1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1"	"YHGSTSNEOJUIRN-UHFFFAOYSA-N"	"InChI=1S/C23H22N6O4S/c30-23(31)15-25-22-6-1-4-19(27-22)17-28(34(32,33)21-5-2-11-24-14-21)16-18-7-9-20(10-8-18)29-13-3-12-26-29/h1-14H,15-17H2,(H,25,27)(H,30,31)"	""	""	""
"14110"	"omiganan"	""	"Peptide"	""	""	""	""	"518520737"	"16131445"	""	""	"CHEMBL1615933"	""	""	""	""	""	"omiganan"	"CLS001|MBI 226"	"CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CC9=CNC%10=CC=CC=C%109)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N)N"	"MVPAMLBUDIFYGK-BHDRXCTLSA-N"	"InChI=1S/C90H127N27O12/c1-5-51(4)75(92)85(127)113-68(41-50(2)3)80(122)109-67(32-18-38-102-90(98)99)79(121)114-71(44-54-48-105-62-27-12-8-23-58(54)62)86(128)116-39-19-34-74(116)84(126)112-70(43-53-47-104-61-26-11-7-22-57(53)61)82(124)115-72(45-55-49-106-63-28-13-9-24-59(55)63)87(129)117-40-20-33-73(117)83(125)111-69(42-52-46-103-60-25-10-6-21-56(52)60)81(123)110-66(31-17-37-101-89(96)97)78(120)108-65(30-16-36-100-88(94)95)77(119)107-64(76(93)118)29-14-15-35-91/h6-13,21-28,46-51,64-75,103-106H,5,14-20,29-45,91-92H2,1-4H3,(H2,93,118)(H,107,119)(H,108,120)(H,109,122)(H,110,123)(H,111,125)(H,112,126)(H,113,127)(H,114,121)(H,115,124)(H4,94,95,100)(H4,96,97,101)(H4,98,99,102)/t51-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1"	""	""	"yes"
"10363"	"omilancor"	""	"Synthetic organic"	""	""	""	""	"384403643"	"121299620"	""	""	"CHEMBL4788758"	""	""	""	""	"[4-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]-[6-(1H-benzimidazol-2-yl)pyridin-2-yl]methanone"	"omilancor"	"analogue 7 [PMID: 27933891]|BT-11|BT11|Example 1 [US9556146B2]"	"O=C(c1cccc(n1)c1nc2c([nH]1)cccc2)N1CCN(CC1)C(=O)c1cccc(n1)c1nc2c([nH]1)cccc2"	"MVHWZNBAQIGPOQ-UHFFFAOYSA-N"	"InChI=1S/C30H24N8O2/c39-29(25-13-5-11-23(31-25)27-33-19-7-1-2-8-20(19)34-27)37-15-17-38(18-16-37)30(40)26-14-6-12-24(32-26)28-35-21-9-3-4-10-22(21)36-28/h1-14H,15-18H2,(H,33,34)(H,35,36)"	"yes"	""	""
"8974"	"omipalisib"	""	"Synthetic organic"	""	""	""	""	"310264754"	"25167777"	""	""	"CHEMBL1236962"	""	""	""	""	"2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide"	"omipalisib"	"GSK 2126458|GSK-2126458|GSK2126458"	"COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc2c(c1)c(ccn2)c1ccnnc1"	"CGBJSGAELGCMKE-UHFFFAOYSA-N"	"InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3"	"yes"	""	""
"14120"	"OMN6"	""	"Peptide"	""	""	""	""	"518520747"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"
"10507"	"OMO-1"	""	"Synthetic organic"	""	""	""	""	"387065589"	"57654476"	""	""	""	""	""	""	""	"6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline"	""	"example 60 [WO2007075567A1]|JNJ-38877618|JNJ38877618|OMO1"	"FC(c1nnc2n1nc(cc2)c1ccncc1)(c1ccc2c(c1)cccn2)F"	"KOAWAWHSMVKCON-UHFFFAOYSA-N"	"InChI=1S/C20H12F2N6/c21-20(22,15-3-4-16-14(12-15)2-1-9-24-16)19-26-25-18-6-5-17(27-28(18)19)13-7-10-23-11-8-13/h1-12H"	""	""	""
"13379"	"omodenbamab"	""	"Antibody"	""	""	""	""	"496703349"	"0"	""	""	"CHEMBL4594339"	""	""	""	""	""	"omodenbamab"	"514G3"	""	""	""	""	""	"yes"
"4707"	"ompenaclid"	""	"Synthetic organic"	""	""	""	""	"178101418"	"67701"	""	""	"CHEMBL20489"	""	""	""	""	"3-[(diaminomethylidene)amino]propanoic acid"	"ompenaclid"	"&beta;-GPA|&beta;-guanidinopropionic acid|RGX-202|RGX202"	"OC(=O)CCN=C(N)N"	"KMXXSJLYVJEBHI-UHFFFAOYSA-N"	"InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)"	""	""	""
"2912"	"OMPT"	""	"Synthetic organic"	""	""	""	""	"135650759"	"16078994"	""	""	"CHEMBL1395060"	""	""	""	""	"(2S)-2-methoxy-3-(thiophosphonooxy)propyl (9Z)-octadec-9-enoate"	""	"(2S)-OMPT"	"CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COP(=S)(O)O)OC"	"FCVJYKICQNLXAX-XPTLAUCJSA-N"	"InChI=1S/C22H43O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)27-19-21(26-2)20-28-29(24,25)30/h10-11,21H,3-9,12-20H2,1-2H3,(H2,24,25,30)/b11-10-/t21-/m0/s1"	""	""	""
"14625"	"omtebrutideg"	""	"Synthetic organic"	""	""	""	""	"530846873"	"169081326"	""	""	""	""	""	""	""	"3-tert-butyl-N-[(1R)-1-[4-[6-[[5-[(2S)-4-[2-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]ethyl]-2-methylpiperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-5-carboxamide"	"omtebrutideg"	"ABBV-101|Compound 1 [US20240109877]"	"C[C@H]1CN(CCN1C2=CN=C(C=C2)NC3=NC=NC(=C3)C4=CC(=C(C=C4)[C@@H](C)NC(=O)C5=NC(=NO5)C(C)(C)C)C)CCC6=CC=C(C=C6)N7CCC(=O)NC7=O"	"IFISVDOJTJUTBK-WUFINQPMSA-N"	"InChI=1S/C42H49N11O4/c1-26-21-30(9-13-33(26)28(3)46-38(55)39-49-40(50-57-39)42(4,5)6)34-22-36(45-25-44-34)47-35-14-12-32(23-43-35)52-20-19-51(24-27(52)2)17-15-29-7-10-31(11-8-29)53-18-16-37(54)48-41(53)56/h7-14,21-23,25,27-28H,15-20,24H2,1-6H3,(H,46,55)(H,48,54,56)(H,43,44,45,47)/t27-,28+/m0/s1"	""	""	""
"14469"	"omvitrastat"	""	"Synthetic organic"	""	""	""	""	"528429790"	"172323014"	""	""	""	""	""	""	""	"6-methoxy-5-(pyrazol-1-ylmethyl)-N-(2,4,6-trimethoxyphenyl)sulfonylpyridine-2-carboxamide"	"omvitrastat"	"compound 224 [US20250136553]|OP-3136|OP3136"	"COC1=CC(=C(C(=C1)OC)S(=O)(=O)NC(=O)C2=NC(=C(C=C2)CN3C=CC=N3)OC)OC"	"KZSVPOQXJZQAQQ-UHFFFAOYSA-N"	"InChI=1S/C20H22N4O7S/c1-28-14-10-16(29-2)18(17(11-14)30-3)32(26,27)23-19(25)15-7-6-13(20(22-15)31-4)12-24-9-5-8-21-24/h5-11H,12H2,1-4H3,(H,23,25)"	""	""	""
"11568"	"omzirafenib"	""	"Synthetic organic"	""	""	""	""	"441604940"	"138319775"	""	""	""	""	""	""	""	"6-methyl-5-N-[3-(7H-purin-6-yl)pyridin-2-yl]-1-N-[3-(trifluoromethoxy)phenyl]isoquinoline-1,5-diamine"	"omzirafenib"	"LUT-014|LUT014"	"Cc1ccc2c(c1Nc1ncccc1c1ncnc3c1[nH]cn3)ccnc2Nc1cccc(c1)OC(F)(F)F"	"FZPYULHBUBXPIG-UHFFFAOYSA-N"	"InChI=1S/C27H19F3N8O/c1-15-7-8-19-18(9-11-32-24(19)37-16-4-2-5-17(12-16)39-27(28,29)30)21(15)38-25-20(6-3-10-31-25)22-23-26(35-13-33-22)36-14-34-23/h2-14H,1H3,(H,31,38)(H,32,37)(H,33,34,35,36)"	""	""	""
"11749"	"onametostat"	""	"Synthetic organic"	""	""	""	""	"458923784"	"126637809"	""	""	"CHEMBL4249337"	""	""	""	""	"(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol"	"onametostat"	"Example 80 [WO2017032840A1]|JNJ-64619178|JNJ45031882"	"C1[C@@H]([C@H]([C@H]([C@@H]1n1ccc2c(ncnc12)N)O)O)CCc1cc2nc(c(cc2cc1)Br)N"	"DBSMLQTUDJVICQ-CJODITQLSA-N"	"InChI=1S/C22H23BrN6O2/c23-15-8-12-3-1-11(7-16(12)28-21(15)25)2-4-13-9-17(19(31)18(13)30)29-6-5-14-20(24)26-10-27-22(14)29/h1,3,5-8,10,13,17-19,30-31H,2,4,9H2,(H2,25,28)(H2,24,26,27)/t13-,17+,18+,19-/m0/s1"	""	""	""
"2882"	"onapristone"	""	"Synthetic organic"	""	""	""	""	"135650760"	"5311505"	""	""	"CHEMBL1908373"	""	""	""	""	"(8S,11R,13R,14S,17S)-11-(4-dimethylaminophenyl)-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one"	"onapristone"	"ZK299|ZK98299"	"OCCC[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21"	"IEXUMDBQLIVNHZ-YOUGDJEHSA-N"	"InChI=1S/C29H39NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,4,7,10-16,18H2,1-3H3/t24-,25+,26-,28+,29+/m0/s1"	""	""	""
"8966"	"onartuzumab"	""	"Antibody"	""	""	""	""	"310264746"	"0"	""	""	""	""	""	""	""	""	"onartuzumab"	"MetMAb|OA-5D5|OA5D5|PRO 143966"	""	""	""	""	""	""
"8914"	"onatasertib"	""	"Synthetic organic"	""	""	""	""	"310264695"	"58298316"	""	""	""	""	""	""	""	"3-[6-(2-hydroxypropan-2-yl)pyridin-3-yl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one"	"onatasertib"	"ATG-008|ATG008|CC-223|CC223|compound 37 [PMID: 26083478]"	"COC1CCC(CC1)N1C(=O)CNc2c1nc(cn2)c1ccc(nc1)C(O)(C)C"	"UFKLYTOEMRFKAD-UHFFFAOYSA-N"	"InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)"	""	""	""
"11337"	"ONC212"	""	"Synthetic organic"	""	""	""	""	"440816706"	"124085867"	""	""	""	""	""	""	""	""	""	"example 52 [WO2017132661A2]|ONC-212"	"O=c1c2CN(CCc2n2c(=NCC2)n1Cc1ccc(cc1)C(F)(F)F)Cc1ccccc1"	"DFULPGUTXZTYKA-UHFFFAOYSA-N"	"InChI=1S/C24H23F3N4O/c25-24(26,27)19-8-6-18(7-9-19)15-31-22(32)20-16-29(14-17-4-2-1-3-5-17)12-10-21(20)30-13-11-28-23(30)31/h1-9H,10-16H2"	""	""	""
"5035"	"oncostatin M"	"Human"	"Peptide"	""	""	""	""	"178101731"	"0"	"P13725"	"ENSG00000099985"	""	""	""	""	""	""	""	"OSM"	""	""	""	""	""	""
"2290"	"ondansetron"	""	"Synthetic organic"	"yes"	""	""	""	"135650761"	"4595"	""	""	"CHEMBL46"	""	""	""	""	"9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one"	"ondansetron"	"GR-38032F/GR-38032|ondansetron hydrochloride|ondansetron hydrochloride dihydrate|Zofran&reg;"	"O=C1C(CCc2c1c1ccccc1n2C)Cn1ccnc1C"	"FELGMEQIXOGIFQ-UHFFFAOYSA-N"	"InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3"	""	""	""
"12156"	"onfasprodil"	""	"Synthetic organic"	""	""	""	""	"472319278"	"118981713"	""	""	""	""	""	""	""	"6-[(1S)-2-[(3aR,6aS)-5-(2-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol"	""	""	"C1[C@@H]2CN(C[C@@H]2CC1Oc1ccccc1F)C[C@@H](c1ncc(cc1)O)O"	"NEFQLCKWVRZEJA-ZWVKXQFTSA-N"	"InChI=1S/C20H23FN2O3/c21-17-3-1-2-4-20(17)26-16-7-13-10-23(11-14(13)8-16)12-19(25)18-6-5-15(24)9-22-18/h1-6,9,13-14,16,19,24-25H,7-8,10-12H2/t13-,14+,16?,19-/m0/s1"	""	""	""
"9757"	"onfekafusp alfa"	""	"Antibody"	""	""	""	""	"354702230"	"0"	""	""	""	""	""	""	""	""	"onfekafusp alfa"	"Daramun (bifikafusp alfa and onfekafusp alfa)|Fibronum|L19TNF-alpha|Nidlegy (bifikafusp alfa and onfekafusp alfa)"	""	""	""	"yes"	""	""
"13787"	"ongericimab"	""	"Antibody"	"yes"	""	""	""	"507750420"	"0"	""	""	""	""	""	""	""	""	"ongericimab"	"JS-002|JS002|Junshida&reg;"	""	""	""	""	""	""
"1964"	"ONO-1301"	""	"Synthetic organic"	""	""	""	""	"135650762"	"6536812"	""	""	"CHEMBL188539"	""	""	""	""	"2-[[5-[2-[(phenyl-pyridin-3-ylmethylidene)amino]oxyethyl]-7,8-dihydronaphthalen-1-yl]oxy]acetic acid"	""	""	"OC(=O)COc1cccc2c1CCC=C2CCO/N=C(/c1cccnc1)\c1ccccc1"	"WBBLIRPKRKYMTD-BYCLXTJYSA-N"	"InChI=1S/C26H24N2O4/c29-25(30)18-31-24-13-5-11-22-19(9-4-12-23(22)24)14-16-32-28-26(20-7-2-1-3-8-20)21-10-6-15-27-17-21/h1-3,5-11,13,15,17H,4,12,14,16,18H2,(H,29,30)/b28-26+"	""	""	""
"10376"	"ONO-2333MS"	""	"Synthetic organic"	""	""	""	""	"384403656"	"9801039"	""	""	"CHEMBL1819077"	""	""	""	""	""	""	"compound 7b [PMID: 21865047]|ONO-2333|ONO2333|ONO2333MS"	"CCC(Nc1c2CCCc2nc2n1nc(c2c1ccc(cc1Cl)OC)C)CC"	"LDIOUQIXNSSOGU-UHFFFAOYSA-N"	"InChI=1S/C22H27ClN4O/c1-5-14(6-2)24-21-17-8-7-9-19(17)25-22-20(13(3)26-27(21)22)16-11-10-15(28-4)12-18(16)23/h10-12,14,24H,5-9H2,1-4H3"	""	""	""
"10580"	"ONO-2570366"	""	"Synthetic organic"	""	""	""	""	"404859027"	"145704683"	""	""	""	""	""	""	""	"(2S)-4-(3-carboxypropyl)-8-[[4-[4-(2-chloro-5-fluorophenyl)butoxy]benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid"	""	"compound 11a [PMID: 31811124]|ONO2570366"	"OC(=O)CCCN1C[C@H](Oc2c1cccc2NC(=O)c1ccc(cc1)OCCCCc1cc(F)ccc1Cl)C(=O)O"	"JCUVQOJHURMRKB-SANMLTNESA-N"	"InChI=1S/C30H30ClFN2O7/c31-23-14-11-21(32)17-20(23)5-1-2-16-40-22-12-9-19(10-13-22)29(37)33-24-6-3-7-25-28(24)41-26(30(38)39)18-34(25)15-4-8-27(35)36/h3,6-7,9-14,17,26H,1-2,4-5,8,15-16,18H2,(H,33,37)(H,35,36)(H,38,39)/t26-/m0/s1"	""	""	""
"14094"	"ONO-2920632"	""	"Synthetic organic"	""	""	""	""	"518520721"	"135127283"	""	""	""	""	""	""	""	"N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide"	""	"ONO2920632|VU6011887"	"C1=CC(=C(C=C1OC(F)(F)F)F)CNC(=O)C2=CN3C(=NC=N3)C=C2"	"KDTQFQYXTWVBCC-UHFFFAOYSA-N"	"InChI=1S/C15H10F4N4O2/c16-12-5-11(25-15(17,18)19)3-1-9(12)6-20-14(24)10-2-4-13-21-8-22-23(13)7-10/h1-5,7-8H,6H2,(H,20,24)"	""	""	""
"8588"	"ONO-3080573"	""	"Synthetic organic"	""	""	""	""	"252166789"	"91799238"	""	""	""	""	""	""	""	"1-[4-[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropoxy]phenyl]cyclopropane-1-carboxylic acid"	""	"ON3"	"COc1cc(cc(c1C)OC)[C@H]([C@@H](OC1Cc2c(C1)cccc2)COc1ccc(cc1)C1(CC1)C(=O)O)O"	"FVESDCZDESZGHA-URLMMPGGSA-N"	"InChI=1S/C31H34O7/c1-19-26(35-2)16-22(17-27(19)36-3)29(32)28(38-25-14-20-6-4-5-7-21(20)15-25)18-37-24-10-8-23(9-11-24)31(12-13-31)30(33)34/h4-11,16-17,25,28-29,32H,12-15,18H2,1-3H3,(H,33,34)/t28-,29+/m0/s1"	""	""	""
"1978"	"ONO-3708"	""	"Synthetic organic"	""	""	""	""	"135650763"	"5311334"	""	""	"CHEMBL266243"	""	""	""	""	"(Z)-7-[(1S,2S,3S,5R)-3-[[(2R)-2-cyclopentyl-2-hydroxyacetyl]amino]-7,7-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid"	""	"BRN 4205392|ONO 3708|ONO3708"	"OC(=O)CCC/C=C\C[C@@H]1[C@@H](NC(=O)[C@@H](C2CCCC2)O)C[C@H]2C[C@@H]1C2(C)C"	"SXHUZJPIRVLMHY-AZPSIHDESA-N"	"InChI=1S/C23H37NO4/c1-23(2)16-13-18(23)17(11-5-3-4-6-12-20(25)26)19(14-16)24-22(28)21(27)15-9-7-8-10-15/h3,5,15-19,21,27H,4,6-14H2,1-2H3,(H,24,28)(H,25,26)/b5-3-/t16-,17+,18+,19+,21-/m1/s1"	""	""	""
"6157"	"ONO-4057"	""	"Synthetic organic"	""	""	""	""	"178102778"	"6438358"	""	""	"CHEMBL422420"	""	""	""	""	"5-[2-(2-carboxyethyl)-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenoxy]pentanoic acid"	""	"ONO 4057|ONO-LB 457"	"COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O"	"JOPSSWGWLCLPPF-RUDMXATFSA-N"	"InChI=1S/C27H34O7/c1-32-22-15-13-21(14-16-22)9-4-2-3-6-19-33-24-10-8-11-25(23(24)17-18-27(30)31)34-20-7-5-12-26(28)29/h4,8-11,13-16H,2-3,5-7,12,17-20H2,1H3,(H,28,29)(H,30,31)/b9-4+"	""	""	""
"6544"	"ONO-4817"	""	"Synthetic organic"	""	""	""	""	"178103158"	"9888141"	""	""	""	""	""	""	""	"N-[(2S,4S)-1-(ethoxymethoxy)-5-(hydroxyamino)-4-methyl-5-oxopentan-2-yl]-4-(phenoxy)benzamide"	""	"ONO 4817|ONO4817"	"CCOCOC[C@@H](NC(=O)c1ccc(cc1)Oc1ccccc1)C[C@@H](C(=O)NO)C"	"HDWWQELUBWGQGA-WMZOPIPTSA-N"	"InChI=1S/C22H28N2O6/c1-3-28-15-29-14-18(13-16(2)21(25)24-27)23-22(26)17-9-11-20(12-10-17)30-19-7-5-4-6-8-19/h4-12,16,18,27H,3,13-15H2,1-2H3,(H,23,26)(H,24,25)/t16-,18-/m0/s1"	""	""	""
"10747"	"ONO-5334"	""	"Synthetic organic"	""	""	""	""	"405067338"	"11582982"	""	""	""	""	""	""	""	"N-[(1S)-3-[(2Z)-2-[(4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cycloheptanecarboxamide"	""	"ONO 5334|ONO5334"	"O=C(C1CCCCCC1)N[C@H](C(=O)C(=O)N/N=C/1\SC[C@H](N1C)C)C1CCOCC1"	"BTZCSXIUAFVRTE-CHGLIHOBSA-N"	"InChI=1S/C21H34N4O4S/c1-14-13-30-21(25(14)2)24-23-20(28)18(26)17(15-9-11-29-12-10-15)22-19(27)16-7-5-3-4-6-8-16/h14-17H,3-13H2,1-2H3,(H,22,27)(H,23,28)/b24-21-/t14-,17+/m1/s1"	""	""	""
"9499"	"ONO-7300243"	""	"Synthetic organic"	""	""	""	""	"329968438"	"66775043"	""	""	""	""	""	""	""	"2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]acetic acid"	""	"compound 17a"	"COc1cc(cc(c1C)OC)C(=O)N(Cc1ccc(cc1)CC(=O)O)CCCc1ccccc1"	"WGABOZPQOOZAOI-UHFFFAOYSA-N"	"InChI=1S/C28H31NO5/c1-20-25(33-2)17-24(18-26(20)34-3)28(32)29(15-7-10-21-8-5-4-6-9-21)19-23-13-11-22(12-14-23)16-27(30)31/h4-6,8-9,11-14,17-18H,7,10,15-16,19H2,1-3H3,(H,30,31)"	""	""	""
"10729"	"ONO-7579"	""	"Synthetic organic"	""	""	""	""	"405067322"	"78322573"	""	""	"CHEMBL3892052"	""	""	""	""	"1-[2-[4-(2-amino-5-chloropyridin-3-yl)phenoxy]pyrimidin-5-yl]-3-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]urea"	""	"ONO 7579|ONO7579"	"O=C(Nc1cc(ccc1S(=O)(=O)C)C(F)(F)F)Nc1cnc(nc1)Oc1ccc(cc1)c1cc(Cl)cnc1N"	"GYPOVJZOMXEUDO-UHFFFAOYSA-N"	"InChI=1S/C24H18ClF3N6O4S/c1-39(36,37)20-7-4-14(24(26,27)28)8-19(20)34-22(35)33-16-11-31-23(32-12-16)38-17-5-2-13(3-6-17)18-9-15(25)10-30-21(18)29/h2-12H,1H3,(H2,29,30)(H2,33,34,35)"	""	""	""
"11536"	"ONO-8130"	""	"Synthetic organic"	""	""	""	""	"441604908"	"9827317"	""	""	"CHEMBL3939289"	""	""	""	""	"4-[[6-[2-methylpropyl-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]amino]-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzoic acid"	""	""	"CC(CN(S(=O)(=O)c1scc(n1)C)c1cc2CCCc2cc1OCc1ccc(cc1)C(=O)O)C"	"IOXMDBQCUCDLAF-UHFFFAOYSA-N"	"InChI=1S/C25H28N2O5S2/c1-16(2)13-27(34(30,31)25-26-17(3)15-33-25)22-11-20-5-4-6-21(20)12-23(22)32-14-18-7-9-19(10-8-18)24(28)29/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,28,29)"	""	""	""
"9908"	"ONO-8590580"	""	"Synthetic organic"	""	""	""	""	"363894202"	"118278442"	""	""	""	""	""	""	""	"1-(cyclopropylmethyl)-5-fluoro-4-methyl-N-[5-(1-methyl-1H-imidazol-4-yl)pyridin-2-yl]-1H-1,3-benzodiazol-6-amine"	""	""	"Cn1cnc(c1)c1ccc(nc1)Nc1cc2n(cnc2c(c1F)C)CC1CC1"	"INGJMHPGMVUEKY-UHFFFAOYSA-N"	"InChI=1S/C21H21FN6/c1-13-20(22)16(7-18-21(13)25-12-28(18)9-14-3-4-14)26-19-6-5-15(8-23-19)17-10-27(2)11-24-17/h5-8,10-12,14H,3-4,9H2,1-2H3,(H,23,26)"	""	""	""
"1920"	"ONO-8711"	""	"Synthetic organic"	""	""	""	""	"135650765"	"9824507"	""	""	"CHEMBL1628612"	""	""	""	""	"(Z)-6-[(7S,8R)-7-[[(4-chloro-2-methylphenyl)sulfonylamino]methyl]-8-bicyclo[2.2.2]octanyl]hex-5-enoic acid"	""	"ONO 8711|ONO8711"	"OC(=O)CCC/C=C\[C@H]1C2CCC([C@@H]1CNS(=O)(=O)c1ccc(cc1C)Cl)CC2"	"VVEXPDRCGCQELD-CFDZEDGGSA-N"	"InChI=1S/C22H30ClNO4S/c1-15-13-18(23)11-12-21(15)29(27,28)24-14-20-17-9-7-16(8-10-17)19(20)5-3-2-4-6-22(25)26/h3,5,11-13,16-17,19-20,24H,2,4,6-10,14H2,1H3,(H,25,26)/b5-3-/t16?,17?,19-,20-/m0/s1"	""	""	""
"1921"	"ONO-8713"	""	"Synthetic organic"	""	""	""	""	"135650766"	"9936595"	""	""	""	""	""	""	""	"(E)-3-[4-[[2-(furan-2-ylsulfonyl-(2-methylpropyl)amino)-5-(trifluoromethyl)phenoxy]methyl]phenyl]prop-2-enoic acid"	""	"ONO 8713|ONO8713"	"CC(CN(S(=O)(=O)c1ccco1)c1ccc(cc1OCc1ccc(cc1)/C=C/C(=O)O)C(F)(F)F)C"	"LOQMSUDLLHPPHQ-FMIVXFBMSA-N"	"InChI=1S/C25H24F3NO6S/c1-17(2)15-29(36(32,33)24-4-3-13-34-24)21-11-10-20(25(26,27)28)14-22(21)35-16-19-7-5-18(6-8-19)9-12-23(30)31/h3-14,17H,15-16H2,1-2H3,(H,30,31)/b12-9+"	""	""	""
"8589"	"ONO-9780307"	""	"Synthetic organic"	""	""	""	""	"252166790"	"11785732"	""	""	""	""	""	""	""	"2-[1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxycarbonylpyrrol-3-yl]acetic acid"	""	"ON7|ONO9780307"	"COC(=O)c1cn(cc1CC(=O)O)C[C@@H]([C@@H](c1cc(OC)c(c(c1)OC)C)O)CC1Cc2c(C1)cccc2"	"PMPFDANPLYTSTM-PWUYWRBVSA-N"	"InChI=1S/C30H35NO7/c1-18-26(36-2)12-22(13-27(18)37-3)29(34)24(11-19-9-20-7-5-6-8-21(20)10-19)16-31-15-23(14-28(32)33)25(17-31)30(35)38-4/h5-8,12-13,15,17,19,24,29,34H,9-11,14,16H2,1-4H3,(H,32,33)/t24-,29+/m0/s1"	""	""	""
"8590"	"ONO-9910539"	""	"Synthetic organic"	""	""	""	""	"252166791"	"91799237"	""	""	""	""	""	""	""	"3-[1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-methoxycarbonylpyrrol-3-yl]propanoic acid"	""	"ON9"	"COC(=O)c1cn(cc1CCC(=O)O)C[C@@H]([C@@H](c1cc(OC)c(c(c1)OC)C(=O)C)O)CC1Cc2c(C1)cccc2"	"URHZQBASTULQKJ-VVFBEHOQSA-N"	"InChI=1S/C32H37NO8/c1-19(34)30-27(39-2)14-24(15-28(30)40-3)31(37)25(13-20-11-21-7-5-6-8-22(21)12-20)17-33-16-23(9-10-29(35)36)26(18-33)32(38)41-4/h5-8,14-16,18,20,25,31,37H,9-13,17H2,1-4H3,(H,35,36)/t25-,31+/m0/s1"	""	""	""
"1932"	"ONO-AE1-259"	""	"Synthetic organic"	""	""	""	""	"135650767"	"5311228"	""	""	"CHEMBL3286796"	""	""	""	""	"(Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-[(E,4S)-4-hydroxy-4-(1-prop-2-enylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid"	""	""	"C=CCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O"	"XXTBGKDWFYXGDZ-KJCKJCAZSA-N"	"InChI=1S/C23H35ClO4/c1-2-13-23(14-8-15-23)21(26)11-7-10-18-17(19(24)16-20(18)25)9-5-3-4-6-12-22(27)28/h2-3,5,7,10,17-21,25-26H,1,4,6,8-9,11-16H2,(H,27,28)/b5-3-,10-7+/t17-,18-,19-,20-,21+/m1/s1"	""	""	""
"1933"	"ONO-AE1-329"	""	"Synthetic organic"	""	""	""	""	"135650768"	"5311230"	""	""	""	""	""	""	""	"2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5-[2-(methoxymethyl)phenyl]pent-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid"	""	""	"COCc1ccccc1CC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O)O"	"BVGVPUMSPSNRRQ-CNOJNPITSA-N"	"InChI=1S/C23H32O6S2/c1-29-14-17-6-3-2-5-16(17)7-8-18(24)9-10-19-20(25)13-21(26)23(19)31-12-4-11-30-15-22(27)28/h2-3,5-6,9-10,18-20,23-25H,4,7-8,11-15H2,1H3,(H,27,28)/b10-9+/t18-,19-,20+,23+/m0/s1"	""	""	""
"8541"	"ONO-AE1-437"	""	"Synthetic organic"	""	""	""	""	"252166742"	"9824353"	""	""	"CHEMBL292964"	""	""	""	""	"4-[2-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]butanoic acid"	""	""	"COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O"	"ORSJUPRAHPZYRL-XHTUOEPPSA-N"	"InChI=1S/C23H32O6S/c1-29-15-17-5-2-4-16(12-17)13-18(24)7-8-19-20(22(26)14-21(19)25)9-11-30-10-3-6-23(27)28/h2,4-5,7-8,12,18-21,24-25H,3,6,9-11,13-15H2,1H3,(H,27,28)/b8-7+/t18-,19-,20-,21-/m1/s1"	""	""	""
"5824"	"ONO-AE2-227"	""	"Synthetic organic"	""	""	""	""	"178102449"	"5311232"	""	""	"CHEMBL3260772"	""	""	""	""	"2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid"	""	""	"O=C(C(c1cccc2c1cccc2)C)Nc1ccccc1Cc1ccccc1C(=O)O"	"BLJLWFKNTKAUDA-UHFFFAOYSA-N"	"InChI=1S/C27H23NO3/c1-18(22-15-8-12-19-9-2-5-13-23(19)22)26(29)28-25-16-7-4-11-21(25)17-20-10-3-6-14-24(20)27(30)31/h2-16,18H,17H2,1H3,(H,28,29)(H,30,31)"	""	""	""
"1931"	"ONO-AE-248"	""	"Synthetic organic"	""	""	""	""	"135650769"	"5311229"	""	""	""	""	""	""	""	"(Z)-7-[(1R,2R,3R)-3-methoxy-2-[(E,3S)-3-methoxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid"	""	"11,15-O-dimethyl-PGE2"	"CCCCC[C@@H](/C=C/[C@H]1[C@H](OC)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)OC"	"MXDQOCKVVLKVJS-QKIVIXBWSA-N"	"InChI=1S/C22H36O5/c1-4-5-8-11-17(26-2)14-15-19-18(20(23)16-21(19)27-3)12-9-6-7-10-13-22(24)25/h6,9,14-15,17-19,21H,4-5,7-8,10-13,16H2,1-3H3,(H,24,25)/b9-6-,15-14+/t17-,18+,19+,21+/m0/s1"	""	""	""
"1942"	"ONO-AE3-208"	""	"Synthetic organic"	""	""	""	""	"135650770"	"10111831"	""	""	""	""	""	""	""	"4-[4-cyano-2-[2-(4-fluoronaphthalen-1-yl)propanoylamino]phenyl]butanoic acid"	""	"ONO AE3 208"	"N#Cc1ccc(c(c1)NC(=O)C(c1ccc(c2c1cccc2)F)C)CCCC(=O)O"	"MTDIMKNAJUQTIO-UHFFFAOYSA-N"	"InChI=1S/C24H21FN2O3/c1-15(18-11-12-21(25)20-7-3-2-6-19(18)20)24(30)27-22-13-16(14-26)9-10-17(22)5-4-8-23(28)29/h2-3,6-7,9-13,15H,4-5,8H2,1H3,(H,27,30)(H,28,29)"	"yes"	""	""
"8537"	"ONO-AE3-237"	""	"Synthetic organic"	""	""	""	""	"252166739"	"10227892"	""	""	""	""	""	""	""	"2-[1-[4-[[(2S)-4,6-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-2-methylindol-4-yl]acetic acid"	""	""	"OC(=O)Cc1cccc2c1cc(n2C(=O)c1ccc(cc1)OC[C@@H]1CN(C)c2c(O1)ccc(c2)C)C"	"PDLHJVXUGHZZQP-QHCPKHFHSA-N"	"InChI=1S/C29H28N2O5/c1-18-7-12-27-26(13-18)30(3)16-23(36-27)17-35-22-10-8-20(9-11-22)29(34)31-19(2)14-24-21(15-28(32)33)5-4-6-25(24)31/h4-14,23H,15-17H2,1-3H3,(H,32,33)/t23-/m0/s1"	""	""	""
"1943"	"ONO-AE3-240"	""	"Synthetic organic"	""	""	""	""	"135650771"	"15984632"	""	""	""	""	""	""	""	"2-[[2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]methyl]benzoic acid"	""	"ONO-AE3240"	"CC(CC(c1cccc2c1cccc2)C(=O)Nc1cc(ccc1Cc1ccccc1C(=O)O)Cn1cccn1)C"	"WXTQSWUTEXDKIF-UHFFFAOYSA-N"	"InChI=1S/C34H33N3O3/c1-23(2)19-31(30-14-7-11-25-9-3-5-12-28(25)30)33(38)36-32-20-24(22-37-18-8-17-35-37)15-16-27(32)21-26-10-4-6-13-29(26)34(39)40/h3-18,20,23,31H,19,21-22H2,1-2H3,(H,36,38)(H,39,40)"	""	""	""
"5823"	"ONO-AE5-599"	""	"Synthetic organic"	""	""	""	""	"178102448"	"73755159"	""	""	""	""	""	""	""	"3-[2-[1-[[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]amino]ethenyl]-4-[(2-methylphenoxy)methyl]phenyl]propanoic acid"	""	""	"CC(C[C@H](c1cc(C)cc(c1)C)NC(=C)c1cc(ccc1CCC(=O)O)COc1ccccc1C)C"	"MIHNFQDPLQJFEZ-SSEXGKCCSA-N"	"InChI=1S/C32H39NO3/c1-21(2)15-30(28-17-22(3)16-23(4)18-28)33-25(6)29-19-26(11-12-27(29)13-14-32(34)35)20-36-31-10-8-7-9-24(31)5/h7-12,16-19,21,30,33H,6,13-15,20H2,1-5H3,(H,34,35)/t30-/m1/s1"	""	""	""
"5821"	"ONO-AP-324"	""	"Synthetic organic"	""	""	""	""	"178102446"	"9867828"	""	""	""	""	""	""	""	"2-[5-[3-[di(phenyl)methylamino]-3-oxopropyl]naphthalen-1-yl]oxyacetic acid"	""	"ONO AP 324"	"O=C(NC(c1ccccc1)c1ccccc1)CCc1cccc2c1cccc2OCC(=O)O"	"YAPFKFDLARVWDB-UHFFFAOYSA-N"	"InChI=1S/C28H25NO4/c30-26(29-28(21-9-3-1-4-10-21)22-11-5-2-6-12-22)18-17-20-13-7-15-24-23(20)14-8-16-25(24)33-19-27(31)32/h1-16,28H,17-19H2,(H,29,30)(H,31,32)"	""	""	""
"1914"	"ONO-DI-004"	""	"Synthetic organic"	""	""	""	""	"135650772"	"5311227"	""	""	""	""	""	""	""	"4-[2-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]acetyl]cyclohexane-1-carboxylic acid"	""	""	"CCCC[C@@H](C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)C1CCC(CC1)C(=O)O)O)C"	"KWRRIFVHVJWXPU-HVCOQRSISA-N"	"InChI=1S/C24H38O6/c1-3-4-5-15(2)12-18(25)10-11-19-20(23(28)14-22(19)27)13-21(26)16-6-8-17(9-7-16)24(29)30/h10-11,15-20,22,25,27H,3-9,12-14H2,1-2H3,(H,29,30)/b11-10+/t15-,16?,17?,18+,19+,20+,22+/m0/s1"	""	""	""
"14095"	"ONO-TR-772"	""	"Synthetic organic"	""	""	""	""	"518520722"	"156308153"	""	""	""	""	""	""	""	"tert-butyl N-[4-chloro-3-[[5-[2-(4-fluorophenyl)ethynyl]-3-methylpyridin-2-yl]carbamoyl]phenyl]carbamate"	""	"VU6018042"	"CC1=C(NC(=O)C2=C(Cl)C=CC(NC(=O)OC(C)(C)C)=C2)N=CC(=C1)C#CC3=CC=C(F)C=C3"	"DFSZNGQSGYXXNF-UHFFFAOYSA-N"	"InChI=1S/C26H23ClFN3O3/c1-16-13-18(6-5-17-7-9-19(28)10-8-17)15-29-23(16)31-24(32)21-14-20(11-12-22(21)27)30-25(33)34-26(2,3)4/h7-15H,1-4H3,(H,30,33)(H,29,31,32)"	""	""	""
"9340"	"ontamalimab"	""	"Antibody"	""	""	""	""	"328083443"	"0"	""	""	""	""	""	""	""	""	"ontamalimab"	"PF-00547659|PF-547659|SHP647"	""	""	""	"yes"	""	""
"746"	"onternabez"	""	"Synthetic organic"	""	""	""	""	"135650356"	"9844711"	""	""	"CHEMBL497392"	""	""	""	""	"[(1R,2S,5R)-2-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methanol"	"onternabez"	"HU-308|HU308|LS-193061"	"CCCCCCC(c1cc(OC)c(c(c1)OC)[C@H]1C=C(CO)[C@@H]2C[C@H]1C2(C)C)(C)C"	"CFMRIVODIXTERW-FDFHNCONSA-N"	"InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21-,22+/m0/s1"	""	""	""
"12036"	"ontorpacept"	""	"Peptide"	""	""	""	""	"472319159"	"0"	""	""	""	""	""	""	""	""	"ontorpacept"	"TTI-621|TTI621"	""	""	""	""	""	""
"13846"	"ontunisertib"	""	"Synthetic organic"	""	""	""	""	"513757531"	"156744887"	""	""	""	""	""	""	""	"N-[(2,6-difluorophenyl)methyl]-2-[3-(6-methylpyridin-2-yl)-4-quinolin-4-ylpyrazol-1-yl]acetamide"	"ontunisertib"	"AGMB-129|Example 26 [WO2021105317A1]|ORG-129"	"FC1=C(C(=CC=C1)F)CNC(CN2N=C(C(=C2)C3=CC=NC4=CC=CC=C34)C5=NC(=CC=C5)C)=O"	"QGXRIRYULXOGDQ-UHFFFAOYSA-N"	"InChI=1S/C27H21F2N5O/c1-17-6-4-11-25(32-17)27-21(18-12-13-30-24-10-3-2-7-19(18)24)15-34(33-27)16-26(35)31-14-20-22(28)8-5-9-23(20)29/h2-13,15H,14,16H2,1H3,(H,31,35)"	""	""	""
"7918"	"onvansertib"	""	"Synthetic organic"	""	""	""	""	"249565601"	"49792852"	""	""	"CHEMBL1738758"	""	""	""	""	"1-(2-hydroxyethyl)-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide"	"onvansertib"	"NMS P937|NMS-1286937|NMS-P937|NMS1286937"	"OCCn1nc(c2c1c1nc(ncc1CC2)Nc1cc(ccc1OC(F)(F)F)N1CCN(CC1)C)C(=O)N"	"QHLVBNKYJGBCQJ-UHFFFAOYSA-N"	"InChI=1S/C24H27F3N8O3/c1-33-6-8-34(9-7-33)15-3-5-18(38-24(25,26)27)17(12-15)30-23-29-13-14-2-4-16-20(22(28)37)32-35(10-11-36)21(16)19(14)31-23/h3,5,12-13,36H,2,4,6-11H2,1H3,(H2,28,37)(H,29,30,31)"	""	""	""
"8752"	"onvoloxastat"	""	"Synthetic organic"	""	""	""	""	"252827410"	"70701426"	""	""	"CHEMBL3113165"	""	""	""	""	"N-(1,3-benzothiazol-2-yl)-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzenesulfonamide"	"onvoloxastat"	"ML-355|ML355"	"COc1cccc(c1O)CNc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)cccc2"	"OWHBVKBNNRYMIN-UHFFFAOYSA-N"	"InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)"	""	""	""
"14731"	"onvuzosiran"	""	"Nucleic acid"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"onvuzosiran"	"ADX-324|ADX324"	""	""	""	""	""	""
"9590"	"ONX-0801"	""	"Synthetic organic"	""	""	""	""	"340590221"	"135487419"	""	""	""	""	""	""	""	"(2R)-2-[[(4S)-4-carboxy-4-[[4-[[(6S)-2-(hydroxymethyl)-4-oxo-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid"	""	"BGC 945|BGC-945|N-[4-[2-Propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-l-γ-glutamyl-d-glutamic acid 1|ONX 0801"	"C#CCN([C@H]1CCc2c1cc1c(=O)nc([nH]c1c2)CO)c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)N[C@@H](C(=O)O)CCC(=O)O"	"NVHRBQOZEMFKLD-CUYJMHBOSA-N"	"InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25+/m1/s1"	""	""	""
"9031"	"ONX-0914"	""	"Synthetic organic"	""	""	""	""	"315661116"	"23642227"	""	""	""	""	""	""	""	"(2S)-3-(4-methoxyphenyl)-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide"	""	"PR-957"	"COc1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)[C@@]1(C)CO1)Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN1CCOCC1)C"	"WQAVPPWWLLVGFK-VTNASVEKSA-N"	"InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1"	"yes"	""	""
"13987"	"OP-145"	""	"Peptide"	""	""	""	""	"518520614"	"171361388"	""	""	""	""	""	""	""	""	""	"P60.4Ac"	"C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC2=CC=CC=C2)NC([C@@H](NC([C@@H](NC(CNC([C@H]([C@H](CC)C)NC(C)=O)=O)=O)CCCCN)=O)CCC(O)=O)=O)=O)CCCCN)=O)CCCNC(=N)N)=O)[C@H](CC)C)=O)[C@H](C)C)=O)CCC(O)=O)=O)CCCNC(=N)N)=O)[C@H](CC)C)=O)CCCCN)=O)CCCNC(=N)N)=O)=O)CC(C)C)=O)CCCNC(=N)N)=O)CCC(O)=O)=O)CC(C)C)=O)C(C)C)=O)CCCNC(=N)N)(=O)N3[C@H](C(N[C@H](C(N[C@@H](CCCNC(=N)N)C(N)=O)=O)CC(C)C)=O)CCC3"	"XZVXMKDFYAEMKP-XHBQYZNJSA-N"	"InChI=1S/C142H246N46O31/c1-18-81(14)111(166-84(17)189)131(214)165-75-105(190)167-88(44-27-30-60-143)115(198)174-96(55-58-107(193)194)122(205)182-102(73-85-40-23-21-24-41-85)127(210)172-89(45-28-31-61-144)116(199)170-93(50-36-66-162-140(153)154)124(207)187-113(83(16)20-3)135(218)185-110(80(12)13)132(215)177-97(56-59-108(195)196)120(203)171-94(51-37-67-163-141(155)156)123(206)186-112(82(15)19-2)134(217)176-90(46-29-32-62-145)117(200)169-92(49-35-65-161-139(151)152)119(202)181-103(74-86-42-25-22-26-43-86)128(211)180-99(70-76(4)5)126(209)173-91(48-34-64-160-138(149)150)118(201)175-95(54-57-106(191)192)121(204)179-101(72-78(8)9)129(212)184-109(79(10)11)133(216)178-98(52-38-68-164-142(157)158)136(219)188-69-39-53-104(188)130(213)183-100(71-77(6)7)125(208)168-87(114(146)197)47-33-63-159-137(147)148/h21-26,40-43,76-83,87-104,109-113H,18-20,27-39,44-75,143-145H2,1-17H3,(H2,146,197)(H,165,214)(H,166,189)(H,167,190)(H,168,208)(H,169,200)(H,170,199)(H,171,203)(H,172,210)(H,173,209)(H,174,198)(H,175,201)(H,176,217)(H,177,215)(H,178,216)(H,179,204)(H,180,211)(H,181,202)(H,182,205)(H,183,213)(H,184,212)(H,185,218)(H,186,206)(H,187,207)(H,191,192)(H,193,194)(H,195,196)(H4,147,148,159)(H4,149,150,160)(H4,151,152,161)(H4,153,154,162)(H4,155,156,163)(H4,157,158,164)/t81-,82-,83-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,109-,110-,111-,112-,113-/m0/s1"	""	""	"yes"
"6624"	"opaganib"	""	"Synthetic organic"	""	""	""	""	"178103237"	"15604015"	""	""	"CHEMBL2158685"	""	""	""	""	"3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide"	"opaganib"	"ABC 294640|ABC-294640|Yeliva&reg;"	"Clc1ccc(cc1)C12CC3CC(C1)CC(C2)(C3)C(=O)NCc1ccncc1"	"CAOTVXGYTWCKQE-UHFFFAOYSA-N"	"InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)"	""	""	""
"14475"	"opakalim"	""	"Synthetic organic"	""	""	""	""	"528429796"	"139487180"	""	""	""	""	""	""	""	"N-(1-tert-butyl-6-cyano-4,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide"	"opakalim"	"BHV-7000|BHV7000|example 475 [US20230000831]"	"CC(C)(C)CC(=O)NC1=NC2=C(C=C(C(=C2N1C(C)(C)C)F)C#N)F"	"VOPRSHDHZUHPBT-UHFFFAOYSA-N"	"InChI=1S/C18H22F2N4O/c1-17(2,3)8-12(25)22-16-23-14-11(19)7-10(9-21)13(20)15(14)24(16)18(4,5)6/h7H,8H2,1-6H3,(H,22,23,25)"	""	""	""
"13643"	"OPB-171775"	""	"Synthetic organic"	""	""	""	""	"504705462"	"137378218"	""	""	""	""	""	""	""	"(4R)-3-[2,3-difluoro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one"	""	"Example 124 [US20190023662]|OPB171775"	"C[C@@H]1CC(=O)NN=C1C2=C(C(=C(C=C2)OCC(C)(C)O)F)F"	"GGUTYKLJESECBW-MRVPVSSYSA-N"	"InChI=1S/C15H18F2N2O3/c1-8-6-11(20)18-19-14(8)9-4-5-10(13(17)12(9)16)22-7-15(2,3)21/h4-5,8,21H,6-7H2,1-3H3,(H,18,20)/t8-/m1/s1"	""	""	""
"2196"	"OPC-21268"	""	"Synthetic organic"	""	""	""	""	"135650773"	"114904"	""	""	"CHEMBL296908"	""	""	""	""	"N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]acetamide"	""	"OPC 21268"	"CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2"	"KSNUCNRMDYJBKT-UHFFFAOYSA-N"	"InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)"	""	""	""
"268"	"OPC 4392"	""	"Synthetic organic"	""	""	""	""	"135650775"	"163839"	""	""	"CHEMBL55171"	""	""	""	""	"7-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]-1H-quinolin-2-one"	""	"OPC-4392"	"Cc1cccc(c1C)N1CCN(CC1)CCCOc1ccc2c(c1)[nH]c(=O)cc2"	"RRLWEQBPSAFVAS-UHFFFAOYSA-N"	"InChI=1S/C24H29N3O2/c1-18-5-3-6-23(19(18)2)27-14-12-26(13-15-27)11-4-16-29-21-9-7-20-8-10-24(28)25-22(20)17-21/h3,5-10,17H,4,11-16H2,1-2H3,(H,25,28)"	""	""	""
"2173"	"OPC-51803"	""	"Synthetic organic"	""	""	""	""	"135650776"	"3038506"	""	""	"CHEMBL332447"	""	""	""	""	"2-[(5R)-1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]-N-propan-2-ylacetamide"	""	"OPC51803"	"CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C"	"INGXCNVWWKKWOO-LJQANCHMSA-N"	"InChI=1S/C26H32ClN3O2/c1-18(2)28-25(31)16-19-8-7-15-30(24-10-4-3-9-21(19)24)26(32)22-12-11-20(17-23(22)27)29-13-5-6-14-29/h3-4,9-12,17-19H,5-8,13-16H2,1-2H3,(H,28,31)/t19-/m1/s1"	""	""	""
"13856"	"opevesostat"	""	"Synthetic organic"	""	""	""	""	"513757541"	"135151902"	""	""	"CHEMBL5314533"	""	""	""	""	"2-(1,3-dihydroisoindol-2-ylmethyl)-5-[(1-methylsulfonylpiperidin-4-yl)methoxy]pyran-4-one"	"opevesostat"	"Compound 185 [WO2018115591A1]|MK-5684|MK5684|ODM-208|ODM208"	"CS(=O)(=O)N1CCC(CC1)COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3"	"LHVKCOBGLZGRQZ-UHFFFAOYSA-N"	"InChI=1S/C21H26N2O5S/c1-29(25,26)23-8-6-16(7-9-23)14-28-21-15-27-19(10-20(21)24)13-22-11-17-4-2-3-5-18(17)12-22/h2-5,10,15-16H,6-9,11-14H2,1H3"	""	""	""
"8988"	"opicapone"	""	"Synthetic organic"	"yes"	""	""	""	"310264766"	"135565903"	""	""	""	""	""	""	""	"(4Z)-4-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-2H-1,2,4-oxadiazol-5-ylidene]-2-hydroxy-6-nitrocyclohexa-2,5-dien-1-one"	"opicapone"	"BIA 9-1067|compound 37d [PMID: 20334432]|Ongentys&reg;|Ontilyv&reg;"	"OC1=C/C(=c/2\o[nH]c(n2)c2c(C)c(Cl)c([n+](c2Cl)[O-])C)/C=C(C1=O)[N+](=O)[O-]"	"HVGGGVAREUUJQV-CHHVJCJISA-N"	"InChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22H,1-2H3,(H,18,19)/b15-7-"	""	""	""
"8923"	"opicinumab"	""	"Antibody"	""	""	""	""	"310264704"	"0"	""	""	""	""	""	""	""	""	"opicinumab"	"BIIB-033|BIIB033"	""	""	""	""	""	""
"11538"	"opiorphin"	""	"Peptide"	""	""	""	""	"441604910"	"25195667"	""	""	"CHEMBL2022225"	""	""	""	""	""	""	"Gln-Arg-Phe-Ser-Arg|L-Glutaminyl-L-arginyl-L-phenylalanyl-L-seryl-L-arginine|QRFSR peptide"	"OC[C@@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CCCN=C(N)N)Cc1ccccc1"	"TWWFCOBVAKAKIT-SXYSDOLCSA-N"	"InChI=1S/C29H48N12O8/c30-17(10-11-22(31)43)23(44)38-18(8-4-12-36-28(32)33)24(45)40-20(14-16-6-2-1-3-7-16)25(46)41-21(15-42)26(47)39-19(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,17-21,42H,4-5,8-15,30H2,(H2,31,43)(H,38,44)(H,39,47)(H,40,45)(H,41,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21-/m0/s1"	""	""	""
"11247"	"opipramol"	""	"Synthetic organic"	"yes"	""	""	""	"434122307"	"9417"	""	""	"CHEMBL370753"	""	""	""	""	"2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol"	"opipramol"	"Insidon&reg;"	"OCCN1CCN(CC1)CCCN1c2ccccc2C=Cc2c1cccc2"	"YNZFUWZUGRBMHL-UHFFFAOYSA-N"	"InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2"	""	""	""
"11298"	"opiranserin"	""	"Synthetic organic"	""	""	""	""	"434321733"	"71566778"	""	""	"CHEMBL4228903"	""	""	""	""	""	"opiranserin"	"VVZ-149|VVZ149"	"CCCCOc1c(OC)cc(cc1OC)C(=O)NCC1(CCOCC1)N(C)C"	"JQUVQWMHZSYCRQ-UHFFFAOYSA-N"	"InChI=1S/C21H34N2O5/c1-6-7-10-28-19-17(25-4)13-16(14-18(19)26-5)20(24)22-15-21(23(2)3)8-11-27-12-9-21/h13-14H,6-12,15H2,1-5H3,(H,22,24)"	""	""	""
"11715"	"opnurasib"	""	"Synthetic organic"	""	""	""	""	"458923750"	"156501355"	""	""	""	""	""	""	""	"1-[6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one"	""	"compound 5 [PMID: 35404998]|example 1a [WO2021120890A1]|JDQ 443|JDQ-443|JDQ443|Nvp-jdq443"	"Cn1ncc2c1ccc(c2)c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(C)c1c1c(Cl)c(C)cc2c1cn[nH]2"	"AZUYLZMQTIKGSC-UHFFFAOYSA-N"	"InChI=1S/C29H28ClN7O/c1-5-24(38)36-14-29(15-36)10-20(11-29)37-17(3)25(26-21-13-31-33-22(21)8-16(2)27(26)30)28(34-37)18-6-7-23-19(9-18)12-32-35(23)4/h5-9,12-13,20H,1,10-11,14-15H2,2-4H3,(H,31,33)"	""	""	""
"6971"	"oprelvekin"	""	"Peptide"	"yes"	""	""	""	"178103550"	"0"	""	""	"CHEMBL1201573"	""	""	""	""	""	"oprelvekin"	"Neumega&reg;"	""	""	""	"yes"	""	""
"8739"	"oprozomib"	""	"Synthetic organic"	""	""	""	""	"252827397"	"25067547"	""	""	""	""	""	""	""	"N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide"	"oprozomib"	"ONX 0912|ONX-0912|PR-047"	"COC[C@@H](C(=O)N[C@H](C(=O)[C@]1(C)OC1)Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc(s1)C)COC"	"SWZXEVABPLUDIO-WSZYKNRRSA-N"	"InChI=1S/C25H32N4O7S/c1-15-26-11-20(37-15)24(33)29-19(13-35-4)23(32)28-18(12-34-3)22(31)27-17(21(30)25(2)14-36-25)10-16-8-6-5-7-9-16/h5-9,11,17-19H,10,12-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t17-,18-,19-,25+/m0/s1"	""	""	""
"12525"	"OptoBI-1"	""	"Synthetic organic"	""	""	""	""	"479821315"	"146018968"	""	""	""	""	""	""	""	"3-[1-[4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoyl]piperidin-4-yl]-1H-benzimidazol-2-one"	""	""	"CCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)CCCC(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O"	"LUASQYYRQCWOMA-UHFFFAOYSA-N"	"InChI=1S/C32H37N5O2/c1-2-3-7-24-12-16-26(17-13-24)34-35-27-18-14-25(15-19-27)8-6-11-31(38)36-22-20-28(21-23-36)37-30-10-5-4-9-29(30)33-32(37)39/h4-5,9-10,12-19,28H,2-3,6-8,11,20-23H2,1H3,(H,33,39)"	""	""	""
"12526"	"OptoDArG"	""	"Synthetic organic"	""	""	""	""	"479821316"	"131954527"	""	""	""	""	""	""	""	"[2-[4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoyloxy]-3-hydroxypropyl] 4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoate"	""	""	"CCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)CCCC(=O)OCC(CO)OC(=O)CCCC3=CC=C(C=C3)N=NC4=CC=C(C=C4)CCCC"	"ZBBHLPDZJFKXFD-UHFFFAOYSA-N"	"InChI=1S/C43H52N4O5/c1-3-5-9-33-15-23-37(24-16-33)44-46-39-27-19-35(20-28-39)11-7-13-42(49)51-32-41(31-48)52-43(50)14-8-12-36-21-29-40(30-22-36)47-45-38-25-17-34(18-26-38)10-6-4-2/h15-30,41,48H,3-14,31-32H2,1-2H3"	""	""	""
"7816"	"orantinib"	""	"Synthetic organic"	""	""	""	""	"223366147"	"5329099"	""	""	"CHEMBL274654"	""	""	""	""	"3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid"	"orantinib"	"SU-6668|TSU-68"	"OC(=O)CCc1c(C)[nH]c(c1C)/C=C/1\C(=O)Nc2c1cccc2"	"NHFDRBXTEDBWCZ-ZROIWOOFSA-N"	"InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-"	""	""	""
"13671"	"orbifloxacin"	""	"Synthetic organic"	""	""	""	""	"507750305"	"60605"	""	""	"CHEMBL295433"	""	""	""	""	"1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid"	"orbifloxacin"	"AT-4526|CP-104,354|Orbax&reg; (veterinary)"	"C[C@@H]1CN(C[C@@H](N1)C)C2=C(C3=C(C(=C2F)F)C(=O)C(=CN3C4CC4)C(=O)O)F"	"QIPQASLPWJVQMH-DTORHVGOSA-N"	"InChI=1S/C19H20F3N3O3/c1-8-5-24(6-9(2)23-8)17-14(21)13(20)12-16(15(17)22)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6H2,1-2H3,(H,27,28)/t8-,9+"	""	""	"yes"
"7250"	"orciprenaline"	""	"Synthetic organic"	"yes"	""	""	""	"178103824"	"4086"	""	""	"CHEMBL776"	""	""	""	""	"5-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,3-diol"	"orciprenaline"	"Alupent&reg;|metaproterenol sulfate|TH-152"	"OC(c1cc(O)cc(c1)O)CNC(C)C"	"LMOINURANNBYCM-UHFFFAOYSA-N"	"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3"	""	""	""
"13046"	"ordesekimab"	""	"Antibody"	""	""	""	""	"491299828"	"0"	""	""	""	""	""	""	""	""	"ordesekimab"	"AMG-714|AMG714|MAb146B7|PRV-015"	""	""	""	"yes"	""	""
"10629"	"orelabrutinib"	""	"Synthetic organic"	"yes"	""	""	""	"404859076"	"91667513"	""	""	""	""	""	""	""	""	"orelabrutinib"	"example 3 [WO2015048662A2]|ICP-022|ICP022"	"C=CC(=O)N1CCC(CC1)c1ccc(c(n1)c1ccc(cc1)Oc1ccccc1)C(=O)N"	"MZPVEMOYADUARK-UHFFFAOYSA-N"	"InChI=1S/C26H25N3O3/c1-2-24(30)29-16-14-18(15-17-29)23-13-12-22(26(27)31)25(28-23)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-13,18H,1,14-17H2,(H2,27,31)"	"yes"	""	""
"14632"	"orevandrodeg"	""	"Synthetic organic"	""	""	""	""	"530846880"	"166909510"	""	""	""	""	""	""	""	"2-[(2S,6R)-4-[2-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethyl]-2,6-dimethylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide"	"orevandrodeg"	"BMS-986460|BMS986460|Example 5 [US20250188056]"	"C[C@@H]1CN(C[C@@H](N1CC(=O)NC2=CC=CC(=C2)N[C@H]3CCC(=O)NC3=O)C)CCOC4CCC(CC4)N5C(=S)N(C(=O)C5(C)C)C6=CC(=C(N=C6)C#N)C(F)(F)F"	"SNTVVSHWBYMLQL-MQFDZLHLSA-N"	"InChI=1S/C39H48F3N9O5S/c1-23-20-48(21-24(2)49(23)22-34(53)46-26-7-5-6-25(16-26)45-31-12-13-33(52)47-35(31)54)14-15-56-29-10-8-27(9-11-29)51-37(57)50(36(55)38(51,3)4)28-17-30(39(40,41)42)32(18-43)44-19-28/h5-7,16-17,19,23-24,27,29,31,45H,8-15,20-22H2,1-4H3,(H,46,53)(H,47,52,54)/t23-,24+,27?,29?,31-/m0/s1"	""	""	""
"1697"	"orexin-A"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651845"	"0"	"O55232|O55241|O43612"	"ENSG00000161610|ENSRNOG00000018892|ENSMUSG00000045471"	""	""	""	""	""	""	""	"hypocretin-1"	""	""	""	""	""	""
"1699"	"orexin-B"	"Human"	"Peptide"	""	""	""	""	"135651847"	"44404987"	"O43612"	"ENSG00000161610"	"CHEMBL413434"	""	""	""	""	""	""	"hypocretin-2|orexin b"	"CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCN=C(N)N)CO)CC(C)C)CCC(=O)N)CCCN=C(N)N)CC(C)C)CCC(=O)N)CCCN=C(N)N)CC(C)C)CC(C)C)CCC(=O)N)C)CO)CC(=O)N)Cc1nc[nH]c1)C)C)[C@H](CC)C)CC(C)C)[C@H](O)C)N"	"OHOWSYIKESXDMN-WMQZXSDYSA-N"	"InChI=1S/C123H212N44O35S/c1-18-63(12)96(164-114(196)80(46-62(10)11)163-119(201)97(67(16)170)165-102(184)69(124)35-41-203-17)118(200)143-50-91(175)146-64(13)99(181)147-65(14)101(183)157-81(47-68-49-136-57-145-68)113(195)162-82(48-90(128)174)105(187)141-52-93(177)150-83(55-168)115(197)148-66(15)100(182)153-74(30-33-88(126)172)108(190)160-79(45-61(8)9)112(194)161-78(44-60(6)7)111(193)155-72(26-21-38-139-123(134)135)106(188)156-75(31-34-89(127)173)109(191)159-77(43-59(4)5)110(192)154-71(25-20-37-138-122(132)133)103(185)140-51-92(176)149-73(29-32-87(125)171)107(189)158-76(42-58(2)3)104(186)144-54-95(179)166-39-23-28-86(166)120(202)167-40-22-27-85(167)117(199)142-53-94(178)151-84(56-169)116(198)152-70(98(129)180)24-19-36-137-121(130)131/h49,57-67,69-86,96-97,168-170H,18-48,50-56,124H2,1-17H3,(H2,125,171)(H2,126,172)(H2,127,173)(H2,128,174)(H2,129,180)(H,136,145)(H,140,185)(H,141,187)(H,142,199)(H,143,200)(H,144,186)(H,146,175)(H,147,181)(H,148,197)(H,149,176)(H,150,177)(H,151,178)(H,152,198)(H,153,182)(H,154,192)(H,155,193)(H,156,188)(H,157,183)(H,158,189)(H,159,191)(H,160,190)(H,161,194)(H,162,195)(H,163,201)(H,164,196)(H,165,184)(H4,130,131,137)(H4,132,133,138)(H4,134,135,139)/t63-,64-,65-,66-,67+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,96-,97-/m0/s1"	""	""	""
"3720"	"orexin-B"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651846"	"0"	"O55232|O55241"	"ENSRNOG00000018892|ENSMUSG00000045471"	""	""	""	""	""	""	""	"hypocretin-2"	""	""	""	""	""	""
"12175"	"orforglipron"	""	"Synthetic organic"	"yes"	""	""	""	"472319297"	"137319706"	""	""	"CHEMBL4446782"	""	""	""	""	"3-[(1S,2S)-1-[5-[(4S)-2,2-dimethyloxan-4-yl]-2-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one"	"orforglipron"	"Foundayo&reg;|LY-3502970|LY3502970|OWL833"	"C[C@H]1C[C@]1(c1noc(=O)[nH]1)n1c2c(cc(cc2)[C@H]2CCOC(C2)(C)C)cc1C(=O)N1CCc2nn(c(c2[C@@H]1C)n1ccn(c1=O)c1c(c2c(cc1)n(nc2)C)F)c1cc(c(c(c1)C)F)C"	"USUWIEBBBWHKNI-KHIFEHGGSA-N"	"InChI=1S/C48H48F2N10O5/c1-25-18-32(19-26(2)40(25)49)60-42(58-16-15-57(46(58)63)37-11-10-36-33(41(37)50)24-51-55(36)7)39-28(4)56(14-12-34(39)53-60)43(61)38-21-31-20-29(30-13-17-64-47(5,6)23-30)8-9-35(31)59(38)48(22-27(48)3)44-52-45(62)65-54-44/h8-11,15-16,18-21,24,27-28,30H,12-14,17,22-23H2,1-7H3,(H,52,54,62)/t27-,28-,30-,48-/m0/s1"	""	""	""
"170"	"Org 12962"	""	"Synthetic organic"	""	""	""	""	"135650777"	"9796408"	""	""	"CHEMBL506999"	""	""	""	""	"1-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine"	""	"Org-12962|Org12962"	"FC(c1ccc(nc1Cl)N1CCNCC1)(F)F"	"QZYYPQAYSFBKPW-UHFFFAOYSA-N"	"InChI=1S/C10H11ClF3N3/c11-9-7(10(12,13)14)1-2-8(16-9)17-5-3-15-4-6-17/h1-2,15H,3-6H2"	""	""	""
"3453"	"ORG2058"	""	"Synthetic organic"	""	""	""	""	"178100451"	"119086"	""	""	"CHEMBL2311103"	""	""	""	""	"(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one"	""	"ORG 2058|ORG-2058"	"CC[C@@H]1C[C@@H]2[C@]([C@H]1C(=O)CO)(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12"	"IJLXLZGJDSJGIQ-BILPMHSYSA-N"	"InChI=1S/C22H32O3/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,16-19,21,23H,3-9,11-12H2,1-2H3/t13-,16+,17-,18-,19+,21-,22+/m1/s1"	""	""	""
"11310"	"ORG 214007-0"	""	"Synthetic organic"	""	""	""	""	"434321745"	"154659439"	""	""	""	""	""	""	""	""	""	"[(-)-N-(2S,10S,14bS)]-N-(8-cyano-1,2,3,4,10,14b-hexahydro-10-methyl dibenzo[c,f]pyrido[1,2-a]azepin-2-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide]]|ORG214007-0"	"N#Cc1ccc2c(c1)[C@@H](C)c1ccccc1[C@H]1N2CC[C@@H](C1)NC(=O)c1snnc1C"	"BUWMTEGCNUYHSZ-JKXTWKSPSA-N"	"InChI=1S/C24H23N5OS/c1-14-18-5-3-4-6-19(18)22-12-17(26-24(30)23-15(2)27-28-31-23)9-10-29(22)21-8-7-16(13-25)11-20(14)21/h3-8,11,14,17,22H,9-10,12H2,1-2H3,(H,26,30)/t14-,17-,22-/m0/s1"	"yes"	""	""
"4600"	"Org 24598"	""	"Synthetic organic"	""	""	""	""	"178101320"	"5311285"	""	""	"CHEMBL360052"	""	""	""	""	"2-[methyl-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetic acid"	""	"ORG-24598"	"OC(=O)CN(CC[C@H](c1ccccc1)Oc1ccc(cc1)C(F)(F)F)C"	"KZWQAWBTWNPFPW-QGZVFWFLSA-N"	"InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/t17-/m1/s1"	""	""	""
"4667"	"Org 25543"	""	"Synthetic organic"	""	""	""	""	"178101382"	"5311287"	""	""	"CHEMBL88588"	""	""	""	""	"4-(benzyloxy)-N-{[1-(dimethylamino)cyclopentyl]methyl}-3,5-dimethoxybenzamide"	""	"ORG-25543"	"COc1cc(cc(c1OCc1ccccc1)OC)C(=O)NCC1(CCCC1)N(C)C"	"ZCYOBMASPXQBSZ-UHFFFAOYSA-N"	"InChI=1S/C24H32N2O4/c1-26(2)24(12-8-9-13-24)17-25-23(27)19-14-20(28-3)22(21(15-19)29-4)30-16-18-10-6-5-7-11-18/h5-7,10-11,14-15H,8-9,12-13,16-17H2,1-4H3,(H,25,27)"	""	""	""
"7851"	"Org27569"	""	"Synthetic organic"	""	""	""	""	"223366181"	"44828492"	""	""	"CHEMBL1553629"	""	""	""	""	"5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide"	""	"Org 27569"	"CCc1c([nH]c2c1cc(Cl)cc2)C(=O)NCCc1ccc(cc1)N1CCCCC1"	"AHFZDNYNXFMRFQ-UHFFFAOYSA-N"	"InChI=1S/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)"	""	""	""
"12946"	"ORG-34167"	""	"Synthetic organic"	""	""	""	""	"485206067"	"9795264"	""	""	""	""	""	""	""	"(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]but-3-en-1-amine"	""	"ORG 34167|ORG34167"	"C=CCC(C1=CC=CC=C1C2=NOC3=CC=CC=C32)N"	"AYDSLXXUAYWCBG-UHFFFAOYSA-N"	"InChI=1S/C17H16N2O/c1-2-7-15(18)12-8-3-4-9-13(12)17-14-10-5-6-11-16(14)20-19-17/h2-6,8-11,15H,1,7,18H2"	""	""	""
"171"	"ORG-37684"	""	"Synthetic organic"	""	""	""	""	"135650778"	"9794656"	""	""	""	""	""	""	""	"(3S)-3-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]pyrrolidine"	""	"ORG-37,684"	"COc1ccc2c(c1O[C@@H]1CNCC1)CCC2"	"QDJAYXYEXHVXJV-NSHDSACASA-N"	"InChI=1S/C14H19NO2/c1-16-13-6-5-10-3-2-4-12(10)14(13)17-11-7-8-15-9-11/h5-6,11,15H,2-4,7-9H2,1H3/t11-/m0/s1"	""	""	""
"13167"	"ORIC-101"	""	"Synthetic organic"	""	""	""	""	"491299949"	"134415769"	""	""	"CHEMBL4161754"	""	""	""	""	"(8R,9S,10R,11S,13S,14S,17S)-17-(3,3-dimethylbut-1-ynyl)-17-hydroxy-13-methyl-11-[4-[methyl(propan-2-yl)amino]phenyl]-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one"	""	"compound 28 [PMID: 30091920]|ORIC101"	"CC(C)N(C)C1=CC=C(C=C1)[C@H]2C[C@]3([C@@H](CC[C@]3(C#CC(C)(C)C)O)[C@H]4[C@H]2[C@H]5CCC(=O)C=C5CC4)C"	"VNLTWJIWEYPBIF-KMSLUKAPSA-N"	"InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1"	""	""	""
"13880"	"ORIC-114"	""	"Synthetic organic"	""	""	""	""	"513757565"	"172991801"	""	""	""	""	""	""	""	"5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-4-(prop-2-enoylamino)benzoic acid"	""	"ORIC114"	"C=CC(=O)NC1=C(C=C(C(=C1)NC2=CC(=NC=N2)N3[C@H](CCO3)C4=CC(=CC(=C4)F)F)C(=O)O)N5CCC(CC5)N6CCN(CC6)C7CC7"	"MSIHWUDQPVKDLP-SSEXGKCCSA-N"	"InChI=1S/C35H40F2N8O4/c1-2-34(46)41-29-19-28(40-32-20-33(39-21-38-32)45-30(7-14-49-45)22-15-23(36)17-24(37)16-22)27(35(47)48)18-31(29)44-8-5-26(6-9-44)43-12-10-42(11-13-43)25-3-4-25/h2,15-21,25-26,30H,1,3-14H2,(H,41,46)(H,47,48)(H,38,39,40)/t30-/m1/s1"	""	""	""
"13294"	"ORIC-533"	""	"Synthetic organic"	""	""	""	""	"496703264"	"156311996"	""	""	""	""	""	""	""	"[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-ylmethoxy)propan-2-yl]phosphonic acid"	""	"Example 25 [WO2021087136A1]|ORIC533"	"OC[C@](COCC1=NNN=N1)(OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3N=CC4=C(NC5CCCC5)N=C(Cl)N=C34)P(O)(O)=O"	"WQAMOSWUARUEOH-GGBXQBQZSA-N"	"InChI=1S/C20H29ClN9O9P/c21-19-24-16(23-10-3-1-2-4-10)11-5-22-30(17(11)25-19)18-15(33)14(32)12(39-18)6-38-20(8-31,40(34,35)36)9-37-7-13-26-28-29-27-13/h5,10,12,14-15,18,31-33H,1-4,6-9H2,(H,23,24,25)(H2,34,35,36)(H,26,27,28,29)/t12-,14-,15-,18-,20+/m1/s1"	""	""	""
"13088"	"oridonin"	""	"Natural product"	""	""	""	""	"491299870"	"5321010"	""	""	"CHEMBL1164920"	""	""	""	""	""	""	"lasidonin|rubescensin A"	"CC1(CC[C@@H]([C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@H]([C@H]4O)C(=C)C5=O)(OC3)O)O)O)C"	"SDHTXBWLVGWJFT-XKCURVIJSA-N"	"InChI=1S/C20H28O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10-,11-,12-,13+,15+,16-,18+,19-,20+/m0/s1"	""	""	""
"13421"	"oridonin derivative 32 [PMID: 38751194]"	""	"Synthetic organic"	""	""	""	""	"496703391"	"171663353"	""	""	""	""	""	""	""	"3-(((4aR,5S,6S,9S,11aS,11bR)-5,14-Dihydroxy-4,4-dimethyl-8-methylene-7-oxo-3,4,4a,5,7,8,9,10,11,11a-decahydro-6H-6,11b-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-6-yl)oxy)propanoic acid"	""	"compound 32 [PMID: 38751194]"	"CC1(C)CC=C[C@]23CO[C@@]([C@H]([C@@]21[H])O)(OCCC(O)=O)[C@]45C(=O)C([C@H](CC[C@]43[H])[C@H]5O)=C"	"NFWAITKLWZRIGK-DMXDCXNVSA-N"	"InChI=1S/C23H30O7/c1-12-13-5-6-14-21-9-4-8-20(2,3)16(21)19(28)23(30-11-21,29-10-7-15(24)25)22(14,17(12)26)18(13)27/h4,9,13-14,16,18-19,27-28H,1,5-8,10-11H2,2-3H3,(H,24,25)/t13-,14-,16+,18+,19-,21+,22-,23+/m0/s1"	""	""	""
"9985"	"Orita-13"	""	"Synthetic organic"	""	""	""	""	"374883872"	"5284648"	""	""	"CHEMBL13486"	""	""	""	""	"3-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one"	""	"compound 13 [PMID: 11170644]"	"Oc1ccc2c(c1)occ(c2=O)c1ccc(c(c1)O)O"	"DDKGKOOLFLYZDL-UHFFFAOYSA-N"	"InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H"	"yes"	""	""
"10877"	"oritavancin"	""	"Synthetic organic"	"yes"	""	""	""	"405560318"	"16136912"	""	""	"CHEMBL1688530"	""	""	""	""	""	"oritavancin"	"Kimyrsa&reg;|LY-333328|LY333328|Orbactiv&reg;"	"OC[C@H]1O[C@@H](Oc2c3Oc4ccc(cc4Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@H](C(=O)N[C@@H]4c(c3)cc2Oc2ccc(cc2Cl)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@@](C2)(C)N)O)[C@@H]2NC(=O)[C@H](NC4=O)c3ccc(c(c3)c3c(O)cc(cc3[C@H](NC2=O)C(=O)O)O)O)CC(=O)N)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@](C1)(C)NCc1ccc(cc1)c1ccc(cc1)Cl)O"	"VHFGEBVPHAGQPI-LXKZPTCJSA-N"	"InChI=1S/C86H97Cl3N10O26/c1-35(2)22-51(92-7)77(110)98-67-69(105)42-15-20-55(49(88)24-42)120-57-26-44-27-58(73(57)125-84-74(71(107)70(106)59(34-100)122-84)124-62-32-86(6,76(109)37(4)119-62)93-33-38-8-10-39(11-9-38)40-12-17-45(87)18-13-40)121-56-21-16-43(25-50(56)89)72(123-61-31-85(5,91)75(108)36(3)118-61)68-82(115)97-66(83(116)117)48-28-46(101)29-54(103)63(48)47-23-41(14-19-53(47)102)64(79(112)99-68)96-80(113)65(44)95-78(111)52(30-60(90)104)94-81(67)114/h8-21,23-29,35-37,51-52,59,61-62,64-72,74-76,84,92-93,100-103,105-109H,22,30-34,91H2,1-7H3,(H2,90,104)(H,94,114)(H,95,111)(H,96,113)(H,97,115)(H,98,110)(H,99,112)(H,116,117)/t36-,37-,51+,52-,59+,61-,62-,64+,65+,66-,67+,68-,69+,70+,71-,72+,74+,75-,76-,84-,85-,86-/m0/s1"	""	""	"yes"
"5277"	"orlistat"	""	"Synthetic organic"	"yes"	""	""	""	"178101960"	"3034010"	""	""	"CHEMBL175247"	""	""	""	""	"(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl (2S)-2-formamido-4-methylpentanoate"	"orlistat"	"Alli&reg;|tetrahydrolipstatin|THL|Xenical&reg;"	"CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O"	"AHLBNYSZXLDEJQ-FWEHEUNISA-N"	"InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1"	""	""	""
"11897"	"orludodstat"	""	"Synthetic organic"	""	""	""	""	"461663452"	"134470179"	""	""	""	""	""	""	""	"N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide"	"orludodstat"	"BAY-2402234|BAY2402234"	"CCn1c(nn(c1=O)c1c(cc(c(c1)O[C@@H](C)C(F)(F)F)C(=O)Nc1c(cccc1Cl)F)F)CO"	"KNVJMHHAXCPZHF-JTQLQIEISA-N"	"InChI=1S/C21H18ClF5N4O4/c1-3-30-17(9-32)29-31(20(30)34)15-8-16(35-10(2)21(25,26)27)11(7-14(15)24)19(33)28-18-12(22)5-4-6-13(18)23/h4-8,10,32H,3,9H2,1-2H3,(H,28,33)/t10-/m0/s1"	""	""	""
"6481"	"ORM-10103"	""	"Synthetic organic"	""	""	""	""	"178103095"	"17978512"	""	""	""	""	""	""	""	"5-nitro-2-(2-phenylchroman-6-yl)oxypyridine"	""	""	"O=N(=O)c1ccc(nc1)Oc1ccc2c(c1)CCC(O2)c1ccccc1"	"GZONLGPIHCCJOI-UHFFFAOYSA-N"	"InChI=1S/C20H16N2O4/c23-22(24)16-7-11-20(21-13-16)25-17-8-10-19-15(12-17)6-9-18(26-19)14-4-2-1-3-5-14/h1-5,7-8,10-13,18H,6,9H2"	""	""	""
"13130"	"ORM-10921"	""	"Synthetic organic"	""	""	""	""	"491299912"	"171037438"	""	""	""	""	""	""	""	""	""	"ORM 10921|ORM10921"	"[H][C@@]12N(CCC[C@@]1(C)OCC)CCC3=C2OC4=C3C=CC=C4"	"ORJHUFIKVKSPRJ-ZWKOTPCHSA-N"	"InChI=1S/C18H23NO2/c1-3-20-18(2)10-6-11-19-12-9-14-13-7-4-5-8-15(13)21-16(14)17(18)19/h4-5,7-8,17H,3,6,9-12H2,1-2H3/t17-,18+/m0/s1"	""	""	""
"11161"	"ORM-10962"	""	"Synthetic organic"	""	""	""	""	"434122221"	"69016811"	""	""	""	""	""	""	""	"2-(4-hydroxypiperidin-1-yl)-N-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]pyridin-3-yl]acetamide"	""	"ORM10962"	"OC1CCN(CC1)CC(=O)Nc1ccc(nc1)Oc1ccc2c(c1)CCC(O2)c1ccccc1"	"UPGUBLDTYLMRHO-UHFFFAOYSA-N"	"InChI=1S/C27H29N3O4/c31-22-12-14-30(15-13-22)18-26(32)29-21-7-11-27(28-17-21)33-23-8-10-25-20(16-23)6-9-24(34-25)19-4-2-1-3-5-19/h1-5,7-8,10-11,16-17,22,24,31H,6,9,12-15,18H2,(H,29,32)"	""	""	""
"13129"	"ORM-12741"	""	"Synthetic organic"	""	""	""	""	"491299911"	"71301276"	""	""	"CHEMBL4297312"	""	""	""	""	"(1S,12bS)-1-(methoxymethyl)-1-methyl-2,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizin"	""	"DB105|ORM 12741|ORM12741"	"C[C@@]1(CCCN2[C@@H]1C3=C(CC2)C4=CC=CC=C4O3)COC"	"OCUKPFWNSAAHRP-QZTJIDSGSA-N"	"InChI=1S/C18H23NO2/c1-18(12-20-2)9-5-10-19-11-8-14-13-6-3-4-7-15(13)21-16(14)17(18)19/h3-4,6-7,17H,5,8-12H2,1-2H3/t17-,18-/m1/s1"	""	""	""
"9438"	"[Orn<sup>5</sup>]URP"	""	"Peptide"	""	""	""	""	"329968378"	"134813899"	""	""	""	""	""	""	""	""	""	""	"NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CS)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CS)Cc1ccccc1"	"AJUZRHILBXDUEG-LSKWFVNGSA-N"	"InChI=1S/C48H64N10O10S2/c1-26(2)40(48(67)68)58-47(66)39(25-70)57-44(63)36(21-29-15-17-31(59)18-16-29)53-42(61)34(14-9-19-49)52-45(64)37(22-30-23-51-33-13-8-7-12-32(30)33)55-43(62)35(20-28-10-5-4-6-11-28)54-46(65)38(24-69)56-41(60)27(3)50/h4-8,10-13,15-18,23,26-27,34-40,51,59,69-70H,9,14,19-22,24-25,49-50H2,1-3H3,(H,52,64)(H,53,61)(H,54,65)(H,55,62)(H,56,60)(H,57,63)(H,58,66)(H,67,68)/t27-,34-,35-,36-,37-,38-,39-,40-/m0/s1"	""	""	""
"4690"	"orotic acid"	""	"Metabolite"	""	""	""	""	"178101403"	"967"	""	""	"CHEMBL1235017"	""	""	""	""	"2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid"	"orazamide|orotic acid"	"orotate"	"O=c1[nH]c(=O)[nH]c(c1)C(=O)O"	"PXQPEWDEAKTCGB-UHFFFAOYSA-N"	"InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)"	""	""	""
"13522"	"oroxylin A"	""	"Natural product"	""	""	""	""	"500839932"	"5320315"	""	""	"CHEMBL183513"	""	""	""	""	"5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one"	""	""	"COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=CC=C3)O"	"LKOJGSWUMISDOF-UHFFFAOYSA-N"	"InChI=1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3"	"yes"	""	""
"7251"	"orphenadrine"	""	"Synthetic organic"	"yes"	""	""	""	"178103825"	"4601"	""	""	"CHEMBL900"	""	""	""	""	"dimethyl({2-[(2-methylphenyl)(phenyl)methoxy]ethyl})amine"	"orphenadrine"	"Invagesic&reg;"	"CN(CCOC(c1ccccc1C)c1ccccc1)C"	"QVYRGXJJSLMXQH-UHFFFAOYSA-N"	"InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3"	""	""	""
"13853"	"orteronel"	""	"Synthetic organic"	""	""	""	""	"513757538"	"9796590"	""	""	"CHEMBL1921976"	""	""	""	""	"6-[(7S)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide"	"orteronel"	"compound (+)-3c [PMID: 21978946]|S-TAK-700|TAK-700|TAK700"	"CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)[C@]3(CCN4C3=CN=C4)O"	"OZPFIJIOIVJZMN-SFHVURJKSA-N"	"InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1"	""	""	""
"8390"	"ORY-1001"	""	"Synthetic organic"	""	""	""	""	"252166601"	"71543365"	""	""	""	""	""	""	""	"4-N-[(1R,2S)-2-phenylcyclopropyl]cyclohexane-1,4-diamine"	""	"RG-6016"	"NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1"	"ALHBJBCQLJZYON-PFSRBDOWSA-N"	"InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m0/s1"	""	""	""
"10227"	"oryzatensin"	""	"Peptide"	""	""	""	""	"381744909"	"101688584"	""	""	""	""	""	""	""	"glycyl-L-tyrosyl-L-prolyl-L-methionyl-L-tyrosyl-L-prolyl-L-leucyl-L-prolyl-L-arginine"	""	""	"CSCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCCN=C(N)N)CC(C)C)Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CN"	"CUWIGJUCRMYFBS-BXXNOCLASA-N"	"InChI=1S/C52H76N12O12S/c1-30(2)26-37(48(72)62-22-6-10-41(62)46(70)59-36(51(75)76)8-4-21-56-52(54)55)61-47(71)42-11-7-24-64(42)50(74)39(28-32-14-18-34(66)19-15-32)60-44(68)35(20-25-77-3)58-45(69)40-9-5-23-63(40)49(73)38(57-43(67)29-53)27-31-12-16-33(65)17-13-31/h12-19,30,35-42,65-66H,4-11,20-29,53H2,1-3H3,(H,57,67)(H,58,69)(H,59,70)(H,60,68)(H,61,71)(H,75,76)(H4,54,55,56)/t35-,36-,37-,38-,39-,40-,41-,42-/m0/s1"	""	""	""
"2110"	"osanetant"	""	"Synthetic organic"	""	""	""	""	"135650780"	"219077"	""	""	"CHEMBL346178"	""	""	""	""	"N-[1-[3-[(3R)-1-(benzoyl)-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-N-methylacetamide"	"osanetant"	"SB-236984|SR 142,806|SR 142801|SR-142,801|SR-142801|SR-142806|SR142801"	"O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1"	"DZOJBGLFWINFBF-UMSFTDKQSA-N"	"InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1"	""	""	""
"11427"	"oseltamivir"	""	"Synthetic organic"	"yes"	""	""	""	"440816796"	"65028"	""	""	"CHEMBL1229"	""	""	""	""	"ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate"	"oseltamivir"	"GS-4104|GS4104|RO-640796|RO640796|Tamiflu&reg;|Tamvir&reg;"	"CCOC(=O)C1=C[C@H]([C@@H]([C@H](C1)N)NC(=O)C)OC(CC)CC"	"VSZGPKBBMSAYNT-RRFJBIMHSA-N"	"InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1"	""	""	""
"9383"	"OSI-930"	""	"Synthetic organic"	""	""	""	""	"328083485"	"9868037"	""	""	"CHEMBL1614710"	""	""	""	""	"3-(quinolin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide"	""	"OSI 930|OSI930"	"O=C(c1sccc1NCc1ccnc2c1cccc2)Nc1ccc(cc1)OC(F)(F)F"	"FGTCROZDHDSNIO-UHFFFAOYSA-N"	"InChI=1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)"	""	""	""
"8310"	"osilodrostat"	""	"Synthetic organic"	"yes"	""	""	""	"252166522"	"44139752"	""	""	"CHEMBL3099695"	""	""	""	""	"4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile"	"osilodrostat"	"Isturisa&reg;|LCI-699|LCI699"	"N#Cc1ccc(c(c1)F)[C@H]1CCc2n1cnc2"	"USUZGMWDZDXMDG-CYBMUJFWSA-N"	"InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1"	""	""	""
"7719"	"osimertinib"	""	"Synthetic organic"	"yes"	""	""	""	"223366052"	"71496458"	""	""	""	""	""	""	""	"N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide"	"osimertinib"	"AZD 9291|AZD-9291|AZD9291|mereletinib (obsolete INN)|Tagrisso&reg;"	"C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(cc1N(CCN(C)C)C)OC"	"DUYJMQONPNNFPI-UHFFFAOYSA-N"	"InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)"	""	""	""
"450"	"OSIP339391"	""	"Synthetic organic"	""	""	""	""	"135650781"	"5311041"	""	""	"CHEMBL485862"	""	""	""	""	"N-[2-[[2-phenyl-6-[4-(3-phenylpropyl)piperazine-1-carbonyl]-7H-pyrrolo[3,2-e]pyrimidin-4-yl]amino]ethyl]acetamide"	""	"OSIP-339391|UCS15A"	"CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1"	"MIUCZFWBCFZKEU-UHFFFAOYSA-N"	"InChI=1S/C30H35N7O2/c1-22(38)31-14-15-32-28-25-21-26(33-29(25)35-27(34-28)24-12-6-3-7-13-24)30(39)37-19-17-36(18-20-37)16-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,21H,8,11,14-20H2,1H3,(H,31,38)(H2,32,33,34,35)"	""	""	""
"12856"	"osivelotor"	""	"Synthetic organic"	""	""	""	""	"483123404"	"146567655"	""	""	""	""	""	""	""	"2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde"	"osivelotor"	"example 8 [US20210047309]|GBT-021601|GBT-601|GBT021601"	"C1COC[C@H](N1C(=O)C2=C(N=CC=C2)CCO)COC3=CC=CC(=C3C=O)O"	"NIWBSQAKKNNWBT-AWEZNQCLSA-N"	"InChI=1S/C20H22N2O6/c23-9-6-17-15(3-2-7-21-17)20(26)22-8-10-27-12-14(22)13-28-19-5-1-4-18(25)16(19)11-24/h1-5,7,11,14,23,25H,6,8-10,12-13H2/t14-/m0/s1"	""	""	""
"2556"	"OSK1-K16-D20"	""	"Peptide"	""	""	""	""	"135652374"	"0"	""	""	""	""	""	""	""	""	""	"[K<sub>16</sub>,D<sub>20</sub>]-OSK1"	""	""	""	""	""	""
"9708"	"OSM-S-38"	""	"Synthetic organic"	""	""	""	""	"348353667"	"136065646"	""	""	"CHEMBL2113938"	""	""	""	""	"(5Z)-2-anilino-5-[[2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-1,3-thiazol-4-one"	""	""	"FC(c1ccc(cc1)n1c(C)cc(c1C)/C=C/1\SC(=NC1=O)Nc1ccccc1)(F)F"	"YBBWTVGRVHTTDD-MOSHPQCFSA-N"	"InChI=1S/C23H18F3N3OS/c1-14-12-16(15(2)29(14)19-10-8-17(9-11-19)23(24,25)26)13-20-21(30)28-22(31-20)27-18-6-4-3-5-7-18/h3-13H,1-2H3,(H,27,28,30)/b20-13-"	""	"yes"	""
"11366"	"osocimab"	""	"Antibody"	""	""	""	""	"440816735"	"0"	""	""	""	""	""	""	""	""	"osocimab"	"BAY 1213790|BAY-1213790|BAY1213790"	""	""	""	""	""	""
"7349"	"ospemifene"	""	"Synthetic organic"	"yes"	""	""	""	"178103921"	"3036505"	""	""	"CHEMBL2105395"	""	""	""	""	"2-[4-[(Z)-4-chloro-1,2-di(phenyl)but-1-enyl]phenoxy]ethanol"	"ospemifene"	"FC-1271|Osphena&reg;|Senshio&reg;"	"ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCO)/c1ccccc1"	"LUMKNAVTFCDUIE-VHXPQNKSSA-N"	"InChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-"	""	""	""
"5036"	"osteocrin"	"Human"	"Peptide"	""	""	""	""	"178101732"	"0"	"P61366"	"ENSG00000188729"	""	""	""	""	""	""	""	"musclin"	""	""	""	""	""	""
"6753"	"osteopontin"	"Human"	"Peptide"	""	""	""	""	"178103364"	"0"	"P10451"	"ENSG00000118785"	""	""	""	""	""	""	""	"bone sialoprotein 1|nephropontin|secreted phosphoprotein 1|SPP-1|urinary stone protein|uropontin"	""	""	""	""	""	""
"10302"	"osthole"	""	"Natural product"	""	""	""	""	"381744983"	"10228"	""	""	"CHEMBL52229"	""	""	""	""	"7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one"	""	"7-Methoxy-8-isopentenylcoumarin|osthol"	"COc1ccc2c(c1CC=C(C)C)oc(=O)cc2"	"MBRLOUHOWLUMFF-UHFFFAOYSA-N"	"InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3"	"yes"	""	""
"10570"	"OSTN (115-133)"	""	"Peptide"	""	""	""	""	"404859017"	"145996513"	""	""	""	""	""	""	""	""	""	""	"CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)CCCN=C(N)N)CO)CC(=O)N)CO)CC(C)C)CCCN=C(N)N)CC(=O)N)CCCN=C(N)N)[C@H](CC)C)CCCN=C(N)N)CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)N)Cc1ccccc1"	"LBPSGCKOVGOHBM-ZGLUUWDISA-N"	"InChI=1S/C91H156N36O26S/c1-8-46(5)69(126-77(144)53(25-17-32-109-91(103)104)116-81(148)59(39-67(134)135)122-76(143)54(27-34-154-7)117-84(151)62-26-18-33-127(62)86(153)70(47(6)9-2)125-66(133)41-110-73(140)56(36-48-19-11-10-12-20-48)118-71(138)49(92)21-13-28-105-87(95)96)85(152)111-40-65(132)113-51(23-15-30-107-89(99)100)74(141)120-57(37-63(93)130)79(146)115-52(24-16-31-108-90(101)102)75(142)119-55(35-45(3)4)78(145)123-61(44-129)83(150)121-58(38-64(94)131)80(147)124-60(43-128)82(149)114-50(22-14-29-106-88(97)98)72(139)112-42-68(136)137/h10-12,19-20,45-47,49-62,69-70,128-129H,8-9,13-18,21-44,92H2,1-7H3,(H2,93,130)(H2,94,131)(H,110,140)(H,111,152)(H,112,139)(H,113,132)(H,114,149)(H,115,146)(H,116,148)(H,117,151)(H,118,138)(H,119,142)(H,120,141)(H,121,150)(H,122,143)(H,123,145)(H,124,147)(H,125,133)(H,126,144)(H,134,135)(H,136,137)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t46-,47-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,69-,70-/m0/s1"	""	""	""
"10573"	"OSTN (81-102)"	""	"Peptide"	""	""	""	""	"404859020"	"145996516"	""	""	""	""	""	""	""	""	""	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)Cc1nc[nH]c1)CC(=O)O)C(C)C)CO)C)CO)CC(C)C)CCCN=C(N)N)CC(=O)O)CC(C)C)CO)Cc1ccccc1)CO)Cc1ccccc1)CO)CCCN=C(N)N)N"	"KWLGDIDCTYJFLH-URZJMNTHSA-N"	"InChI=1S/C102H163N33O31/c1-52(2)35-63(90(156)133-72(48-138)95(161)118-55(7)83(149)114-43-77(142)120-71(47-137)97(163)134-81(54(5)6)99(165)130-69(41-80(146)147)94(160)127-67(39-58-42-111-51-117-58)92(158)122-60(82(106)148)26-15-17-31-104)125-87(153)62(28-19-33-113-102(109)110)124-93(159)68(40-79(144)145)128-89(155)64(36-53(3)4)129-98(164)75-29-20-34-135(75)100(166)74(50-140)121-78(143)45-115-85(151)65(37-56-21-10-8-11-22-56)119-76(141)44-116-86(152)70(46-136)131-91(157)66(38-57-23-12-9-13-24-57)126-96(162)73(49-139)132-88(154)61(27-18-32-112-101(107)108)123-84(150)59(105)25-14-16-30-103/h8-13,21-24,42,51-55,59-75,81,136-140H,14-20,25-41,43-50,103-105H2,1-7H3,(H2,106,148)(H,111,117)(H,114,149)(H,115,151)(H,116,152)(H,118,161)(H,119,141)(H,120,142)(H,121,143)(H,122,158)(H,123,150)(H,124,159)(H,125,153)(H,126,162)(H,127,160)(H,128,155)(H,129,164)(H,130,165)(H,131,157)(H,132,154)(H,133,156)(H,134,163)(H,144,145)(H,146,147)(H4,107,108,112)(H4,109,110,113)/t55-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1"	""	""	""
"8005"	"OSU-03012"	""	"Synthetic organic"	""	""	""	""	"249565685"	"10027278"	""	""	"CHEMBL1650595"	""	""	""	""	"2-amino-N-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide"	""	"AR-12|OSU03012"	"NCC(=O)Nc1ccc(cc1)n1nc(cc1c1ccc2c(c1)ccc1c2cccc1)C(F)(F)F"	"YULUCECVQOCQFQ-UHFFFAOYSA-N"	"InChI=1S/C26H19F3N4O/c27-26(28,29)24-14-23(33(32-24)20-10-8-19(9-11-20)31-25(34)15-30)18-7-12-22-17(13-18)6-5-16-3-1-2-4-21(16)22/h1-14H,15,30H2,(H,31,34)"	""	""	""
"6297"	"O<sub>3</sub>"	""	"Inorganic"	""	""	""	""	"178102917"	"24823"	""	""	"CHEMBL2447938"	""	""	""	""	""	""	"ozone|triatomic oxygen"	""	""	""	""	""	""
"10732"	"otamixaban"	""	"Synthetic organic"	""	""	""	""	"405067325"	"5496659"	""	""	"CHEMBL46618"	""	""	""	""	"methyl (2R,3R)-2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]butanoate"	"otamixaban"	"compound 9c [PMID: 12039587]|FXV-673|FXV673|XRP-0673|XRP0673"	"COC(=O)[C@@H]([C@H](NC(=O)c1ccc(cc1)c1cc[n+](cc1)[O-])C)Cc1cccc(c1)C(=N)N"	"PFGVNLZDWRZPJW-OPAMFIHVSA-N"	"InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/t16-,22-/m1/s1"	""	""	""
"13548"	"OTB-658"	""	"Synthetic organic"	""	""	""	""	"500839958"	"156495313"	""	""	"CHEMBL4791225"	""	""	""	""	"N-{[(5S,6S)-12-fluoro-3-oxo-11-(thiomorpholin-4-yl)-4,8-dioxa-2-azatricyclo[7.4.0.0<sup>2,6</sup>]trideca-1(13),9,11-trien-5-yl]methyl}acetamide"	""	"compound 19c [PMID: 32666789]"	"CC(NC[C@@H]1OC(N2C3=CC(F)=C(N4CCSCC4)C=C3OC[C@]21[H])=O)=O"	"WZAVWVAEARSISR-HOCLYGCPSA-N"	"InChI=1S/C17H20FN3O4S/c1-10(22)19-8-16-14-9-24-15-7-12(20-2-4-26-5-3-20)11(18)6-13(15)21(14)17(23)25-16/h6-7,14,16H,2-5,8-9H2,1H3,(H,19,22)/t14-,16-/m0/s1"	""	""	"yes"
"8458"	"otelixizumab"	""	"Antibody"	""	""	""	""	"252166668"	"0"	""	""	""	""	""	""	""	""	"otelixizumab"	"ChAglyCD3|TRX4"	""	""	""	""	""	""
"9232"	"otenabant"	""	"Synthetic organic"	""	""	""	""	"315661307"	"10052040"	""	""	"CHEMBL562668"	""	""	""	""	"1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-ethylaminopiperidine-4-carboxamide"	"otenabant"	"CP-945,598|CP-945598"	"CCNC1(CCN(CC1)c1ncnc2c1nc(n2c1ccc(cc1)Cl)c1ccccc1Cl)C(=O)N"	"UNAZAADNBYXMIV-UHFFFAOYSA-N"	"InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)"	""	""	""
"9534"	"otenaproxesul"	""	"Synthetic organic"	""	""	""	""	"336446920"	"72941967"	""	""	""	""	""	""	""	""	"otenaproxesul"	"ATB 346|ATB-346|ATB-346, (S)-|ATB346"	"COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)Oc1ccc(cc1)C(=S)N)C"	"YCNMAPLPQYQJFC-ZDUSSCGKSA-N"	"InChI=1S/C21H19NO3S/c1-13(21(23)25-18-8-5-14(6-9-18)20(22)26)15-3-4-17-12-19(24-2)10-7-16(17)11-15/h3-13H,1-2H3,(H2,22,26)/t13-/m0/s1"	"yes"	""	""
"309"	"otenzepad"	""	"Synthetic organic"	""	""	""	""	"135649900"	"107867"	""	""	"CHEMBL17045"	""	""	""	""	"11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one"	"otenzepad"	"AF-DX 116|AFDX116"	"CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC"	"UBRKDAVQCKZSPO-UHFFFAOYSA-N"	"InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)"	""	""	""
"11132"	"otilimab"	""	"Antibody"	""	""	""	""	"434122192"	"0"	""	""	""	""	""	""	""	""	"otilimab"	"GSK-3196165|GSK3196165|MOR-103|MOR103"	""	""	""	"yes"	""	""
"9951"	"otlertuzumab"	""	"Antibody"	""	""	""	""	"374883838"	"0"	""	""	"CHEMBL3039539"	""	""	""	""	""	"otlertuzumab"	"CD37-SMIP|TRU-016|TRU016"	""	""	""	"yes"	""	""
"7813"	"OTS964"	""	"Synthetic organic"	""	""	""	""	"223366144"	"67448186"	""	""	""	""	""	""	""	"9-{4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl}-8-hydroxy-6-methyl-4H,5H-thieno[2,3-c]quinolin-4-one"	""	""	"CN(C[C@@H](c1ccc(cc1)c1c(O)cc(c2c1c1ccsc1c(=O)[nH]2)C)C)C"	"XCFRUAOZMVFDPQ-AWEZNQCLSA-N"	"InChI=1S/C23H24N2O2S/c1-13-11-18(26)19(16-7-5-15(6-8-16)14(2)12-25(3)4)20-17-9-10-28-22(17)23(27)24-21(13)20/h5-11,14,26H,12H2,1-4H3,(H,24,27)/t14-/m0/s1"	""	""	""
"8046"	"OTSSP167"	""	"Synthetic organic"	""	""	""	""	"249565726"	"135398499"	""	""	""	""	""	""	""	"4-[7-acetyl-8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1H-1,5-naphthyridin-2-ylidene]-2,6-dichlorocyclohexa-2,5-dien-1-one"	""	"AMX10201|OTSSP-167"	"CN(CC1CCC(CC1)Nc1c(cnc2c1[nH]c(=C1C=C(Cl)C(=O)C(=C1)Cl)cc2)C(=O)C)C"	"WZJUACDPTWDYSI-UHFFFAOYSA-N"	"InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,30H,4-7,13H2,1-3H3,(H,28,29)"	""	""	""
"4826"	"ouabain"	""	"Natural product"	"yes"	""	""	""	"178101528"	"439501"	""	""	"CHEMBL222863"	""	""	""	""	"4-[(1S,2R,3R,5S,7S,10R,11S,14R,15R,17R)-3,7,11,17-tetrahydroxy-2-(hydroxymethyl)-15-methyl-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one"	""	""	"OC[C@@]12[C@H](O)C[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O"	"LPMXVESGRSUGHW-HBYQJFLCSA-N"	"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1"	""	""	""
"13119"	"OUL35"	""	"Synthetic organic"	""	""	""	""	"491299901"	"236501"	""	""	"CHEMBL1438938"	""	""	""	""	"4-(4-carbamoylphenoxy)benzamide"	""	"compound 1 [PMID: 30006177]|OUL-35"	"C1=CC(=CC=C1C(=O)N)OC2=CC=C(C=C2)C(=O)N"	"XZRCQWLPMXFGHE-UHFFFAOYSA-N"	"InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)"	""	""	""
"13513"	"oveporexton"	""	"Synthetic organic"	"yes"	""	""	""	"500839923"	"154617563"	""	""	""	""	""	""	""	"N-[(2S,3R)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-4,4-difluoro-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]ethanesulfonamide"	"oveporexton"	"example 3 [US20210276949]|Orzeyful&reg;|TAK-861|TAK861"	"FC1([C@@H]([C@@H](N(C1)C(C(C)(C)O)=O)CC=2C(=C(C=CC2)C3=CC(=CC(=C3)F)F)F)NS(=O)(=O)CC)F"	"KVMGAIOTUIGROS-AZUAARDMSA-N"	"InChI=1S/C23H25F5N2O4S/c1-4-35(33,34)29-20-18(30(12-23(20,27)28)21(31)22(2,3)32)10-13-6-5-7-17(19(13)26)14-8-15(24)11-16(25)9-14/h5-9,11,18,20,29,32H,4,10,12H2,1-3H3/t18-,20+/m0/s1"	""	""	""
"13103"	"OX04529"	""	"Synthetic organic"	""	""	""	""	"491299885"	"171037436"	""	""	""	""	""	""	""	"3-(3-(4-Chloro-3-(trifluoromethyl)phenyl)propyl)-5-hydroxypyridine 1-oxide"	""	"compound 69 [PMID: 38146625]|OX-04529"	"ClC1=C(C=C(C=C1)CCCC=2C=[N+](C=C(C2)O)[O-])C(F)(F)F"	"PBTZSYYQLNLMLB-UHFFFAOYSA-N"	"InChI=1S/C15H13ClF3NO2/c16-14-5-4-10(7-13(14)15(17,18)19)2-1-3-11-6-12(21)9-20(22)8-11/h4-9,21H,1-3H2"	""	""	""
"5076"	"OX-40 ligand"	"Human"	"Peptide"	""	""	""	""	"178101769"	"0"	"P23510"	"ENSG00000117586"	""	""	""	""	""	""	""	"glycoprotein Gp34|TXGP-1"	""	""	""	"yes"	""	""
"10943"	"oxacillin"	""	"Synthetic organic"	"yes"	""	""	""	"405560384"	"6196"	""	""	"CHEMBL819"	""	""	""	""	"(2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"oxacillin"	"Bactocill&reg;"	"OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1"	"UWYHMGVUTGAWSP-JKIFEVAISA-N"	"InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1"	""	""	"yes"
"5236"	"oxalacetic acid"	""	"Metabolite"	""	""	""	""	"178101920"	"970"	""	""	"CHEMBL1794791"	""	""	""	""	"2-oxobutanedioic acid"	""	"oxaloacetate"	"OC(=O)CC(=O)C(=O)O"	"KHPXUQMNIQBQEV-UHFFFAOYSA-N"	"InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)"	""	""	""
"4538"	"oxalate"	""	"Metabolite"	""	""	""	""	"178101259"	"71081"	""	""	""	""	""	""	""	"oxalate"	""	"oxalate<sup>2-</sup>"	"[O-]C(=O)C(=O)[O-]"	"MUBZPKHOEPUJKR-UHFFFAOYSA-L"	"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2"	""	""	""
"7433"	"oxaliplatin"	""	"Synthetic organic"	"yes"	""	""	""	"178104005"	"0"	""	""	"CHEMBL414804"	""	""	""	""	""	"oxaliplatin"	"ACT-078|Eloxatin&reg;"	""	""	""	""	""	""
"7092"	"oxandrolone"	""	"Metabolite"	"yes"	""	""	""	"178103670"	"5878"	""	""	"CHEMBL1200436"	""	""	""	""	"(1S,3aS,3bR,5aS,9aS,9bS,11aS)-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,6,9,9b,10,11-dodecahydroindeno[4,5-h]isochromen-7-one"	"oxandrolone"	"Anavar&reg;|SC-11585"	"O=C1OC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C"	"QSLJIVKCVHQPLV-PEMPUTJUSA-N"	"InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1"	""	""	""
"10840"	"oxantel"	""	"Synthetic organic"	"yes"	""	""	""	"405560281"	"5281087"	""	""	"CHEMBL1240977"	""	""	""	""	"3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol"	"oxantel"	"CP-14,445|CP-14445"	"Oc1cccc(c1)/C=C/C1=NCCCN1C"	"VRYKTHBAWRESFI-VOTSOKGWSA-N"	"InChI=1S/C13H16N2O/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h2,4-7,10,16H,3,8-9H2,1H3/b7-6+"	""	""	"yes"
"7252"	"oxaprozin"	""	"Synthetic organic"	"yes"	""	""	""	"178103826"	"4614"	""	""	"CHEMBL1071"	""	""	""	""	"3-(diphenyl-1,3-oxazol-2-yl)propanoic acid"	"oxaprozin"	"Daypro&reg;|WY-21743"	"OC(=O)CCc1nc(c(o1)c1ccccc1)c1ccccc1"	"OFPXSFXSNFPTHF-UHFFFAOYSA-N"	"InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)"	"yes"	""	""
"10997"	"oxaquin"	""	"Synthetic organic"	""	""	""	""	"405560438"	"44201350"	""	""	""	""	""	""	""	"7-[4-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-4-phosphonooxypiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid"	""	"DNV-3837|DNV3837|MCB-3837|MCB3837"	"CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(c(c1)F)OCC1(CCN(CC1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)C1CC1)OP(=O)(O)O"	"MNABRWLVTSGIMU-FQEVSTJZSA-N"	"InChI=1S/C31H33F2N4O11P/c1-17(38)34-13-20-14-37(30(42)47-20)19-4-5-27(24(33)10-19)46-16-31(48-49(43,44)45)6-8-35(9-7-31)26-12-25-21(11-23(26)32)28(39)22(29(40)41)15-36(25)18-2-3-18/h4-5,10-12,15,18,20H,2-3,6-9,13-14,16H2,1H3,(H,34,38)(H,40,41)(H2,43,44,45)/t20-/m0/s1"	""	""	"yes"
"7253"	"oxazepam"	""	"Synthetic organic"	"yes"	""	""	""	"178103827"	"4616"	""	""	"CHEMBL568"	""	""	""	""	"7-chloro-5-phenyl-3H-1,4-benzodiazepine-2,3-diol"	"oxazepam"	"Serax&reg;|WY-3498"	"Clc1ccc2c(c1)C(=NC(C(=N2)O)O)c1ccccc1"	"ADIMAYPTOBDMTL-UHFFFAOYSA-N"	"InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)"	""	""	""
"6944"	"oxazine 89"	""	"Synthetic organic"	""	""	""	""	"178103526"	"71305058"	""	""	"CHEMBL2347208"	""	""	""	""	"N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide"	""	""	"N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]1(C)N=C(N)O[C@@H](C1)C(F)(F)F)F"	"MELQHVBGGSKVJQ-YJBOKZPZSA-N"	"InChI=1S/C19H15F4N5O2/c1-18(7-15(19(21,22)23)30-17(25)28-18)12-6-11(3-4-13(12)20)27-16(29)14-5-2-10(8-24)9-26-14/h2-6,9,15H,7H2,1H3,(H2,25,28)(H,27,29)/t15-,18-/m0/s1"	""	""	""
"7254"	"oxcarbazepine"	""	"Synthetic organic"	"yes"	""	""	""	"178103828"	"34312"	""	""	"CHEMBL1068"	""	""	""	""	"5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide"	"imidazole salicylate"	"GP-47680|KIN-493|Trileptal&reg;"	"O=C1Cc2ccccc2N(c2c1cccc2)C(=N)O"	"CTRLABGOLIVAIY-UHFFFAOYSA-N"	"InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)"	""	""	""
"11234"	"oxidised ATP"	""	"Synthetic organic"	""	""	""	""	"434122294"	"5486828"	""	""	"CHEMBL4285222"	""	""	""	""	"[[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate"	""	"2',3'-dialdehyde ATP|ATP dialdehyde|oATP|oxo-ATP"	"O=C[C@H](O[C@@H](n1cnc2c1ncnc2N)C=O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O"	"ZOSTZYMLOPBGQI-NKWVEPMBSA-N"	"InChI=1S/C10H14N5O13P3/c11-9-8-10(13-4-12-9)15(5-14-8)7(2-17)26-6(1-16)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h1-2,4-7H,3H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t6-,7+/m0/s1"	""	""	""
"6835"	"oxiglutatione"	""	"Synthetic organic"	"yes"	""	""	""	"178103441"	"65359"	""	""	"CHEMBL1372"	""	""	""	""	"(2S)-2-amino-4-{[(1R)-2-{[(2R)-2-[(4S)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]disulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid"	"oxiglutatione"	"glutathione disulfide|Navstel&reg;"	"N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O"	"YPZRWBKMTBYPTK-BJDJZHNGSA-N"	"InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1"	""	""	""
"12297"	"oximonam"	""	"Synthetic organic"	""	""	""	""	"479821088"	"9690097"	""	""	"CHEMBL2104567"	""	""	""	""	"2-[(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-methyl-4-oxoazetidin-1-yl]oxyacetic acid"	"oximonam"	"SQ 82,291"	"C[C@H]1[C@@H](C(=O)N1OCC(=O)O)NC(=O)/C(=N\OC)/c1csc(n1)N"	"FJKOYBHMMTVFHK-TWYJFGHKSA-N"	"InChI=1S/C12H15N5O6S/c1-5-8(11(21)17(5)23-3-7(18)19)15-10(20)9(16-22-2)6-4-24-12(13)14-6/h4-5,8H,3H2,1-2H3,(H2,13,14)(H,15,20)(H,18,19)/b16-9-/t5-,8-/m0/s1"	""	""	"yes"
"1199"	"oxo-arpromidine"	""	"Synthetic organic"	""	""	""	""	"135651299"	"25149244"	""	""	"CHEMBL472273"	""	""	""	""	"3-(4-fluorophenyl)-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-pyridin-2-ylpropanamide"	""	"UR-PG136"	"NC(=NCCCc1[nH]cnc1)NC(=O)CC(c1ccccn1)c1ccc(cc1)F"	"UTJRWVBWVPCMQL-UHFFFAOYSA-N"	"InChI=1S/C21H23FN6O/c22-16-8-6-15(7-9-16)18(19-5-1-2-10-25-19)12-20(29)28-21(23)26-11-3-4-17-13-24-14-27-17/h1-2,5-10,13-14,18H,3-4,11-12H2,(H,24,27)(H3,23,26,28,29)"	""	""	""
"12559"	"oxoglaucine"	""	"Natural product"	""	""	""	""	"479821349"	"97662"	""	""	"CHEMBL470881"	""	""	""	""	""	""	"O-Methylatheroline"	"COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC(=C(C=C42)OC)OC)OC"	"ZYKCETVKVRJFGD-UHFFFAOYSA-N"	"InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3"	""	""	""
"12999"	"oxolinic acid"	""	"Synthetic organic"	"yes"	""	""	""	"485206120"	"4628"	""	""	"CHEMBL416755"	""	""	""	""	"5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid"	"oxolinic acid"	""	"CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O"	"KYGZCKSPAKDVKC-UHFFFAOYSA-N"	"InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)"	""	""	"yes"
"302"	"oxotremorine"	""	"Synthetic organic"	""	""	""	""	"135650782"	"4630"	""	""	"CHEMBL7634"	""	""	""	""	"1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one"	""	""	"O=C1CCCN1CC#CCN1CCCC1"	"RSDOPYMFZBJHRL-UHFFFAOYSA-N"	"InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2"	""	""	""
"303"	"oxotremorine-M"	""	"Synthetic organic"	""	""	""	""	"135650783"	"4629"	""	""	"CHEMBL44674"	""	""	""	""	"trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]azanium"	""	""	"O=C1CCCN1CC#CC[N+](C)(C)C"	"CANZROMYQDHYHR-UHFFFAOYSA-N"	"InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1"	""	""	""
"7255"	"oxprenolol"	""	"Synthetic organic"	"yes"	""	""	""	"178103829"	"4631"	""	""	"CHEMBL546"	""	""	""	""	"{2-hydroxy-3-[2-(prop-2-en-1-yloxy)phenoxy]propyl}(propan-2-yl)amine"	"oxprenolol"	"BA-39089|Trasacor&reg;"	"C=CCOc1ccccc1OCC(CNC(C)C)O"	"CEMAWMOMDPGJMB-UHFFFAOYSA-N"	"InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3"	""	""	""
"7123"	"oxybuprocaine"	""	"Synthetic organic"	"yes"	""	""	""	"178103700"	"4633"	""	""	"CHEMBL1200"	""	""	""	""	"2-(diethylamino)ethyl 4-amino-3-butoxybenzoate"	"oxybuprocaine"	"benoxinate hydrochloride|Minims Oxybuprocaine&reg;|Novesin"	"CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC"	"CMHHMUWAYWTMGS-UHFFFAOYSA-N"	"InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3"	""	""	""
"359"	"oxybutynin"	""	"Synthetic organic"	"yes"	""	""	""	"135650784"	"4634"	""	""	"CHEMBL1231"	""	""	""	""	"4-diethylaminobut-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate"	"oxybutynin"	"Cystrin&reg;|Ditropan&reg;|oxybutynin chloride"	"CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC"	"XIQVNETUBQGFHX-UHFFFAOYSA-N"	"InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3"	""	""	""
"10652"	"oxycodegol"	""	"Synthetic organic"	""	""	""	""	"404859099"	"73673720"	""	""	""	""	""	""	""	"(4R,4aS,7S,7aR,12bS)-9-methoxy-7-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol"	"oxycodegol"	"loxicodegol (deleted INN)|NKTR-181|NKTR181"	"COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC)O"	"RQHILGKAOIGUHU-XPLSERNMSA-N"	"InChI=1S/C31H49NO10/c1-32-9-8-30-27-23-4-5-24(35-3)28(27)42-29(30)25(6-7-31(30,33)26(32)22-23)41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-34-2/h4-5,25-26,29,33H,6-22H2,1-3H3/t25-,26+,29-,30-,31+/m0/s1"	""	""	""
"7093"	"oxycodone"	""	"Synthetic organic"	"yes"	""	""	""	"178103671"	"5284603"	""	""	"CHEMBL656"	""	""	""	""	"(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one"	"oxycodone"	"oxycodone hydrochloride|Roxicodone&reg;"	"COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)CCC1=O)C"	"BRUQQQPBMZOVGD-XFKAJCMBSA-N"	"InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1"	""	""	""
"124"	"oxymetazoline"	""	"Synthetic organic"	"yes"	""	""	""	"135650785"	"4636"	""	""	"CHEMBL762"	""	""	""	""	"6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol"	"oxymetazoline"	"Afrin&reg;|oxymethazoline|SCH-9384|Upneeq&reg; (opthalmic solution)|Vicks Sinex&reg;"	"Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C"	"WYWIFABBXFUGLM-UHFFFAOYSA-N"	"InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)"	""	""	""
"7094"	"oxymorphone"	""	"Synthetic organic"	"yes"	""	""	""	"178103672"	"5284604"	""	""	"CHEMBL963"	""	""	""	""	"(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one"	"oxymorphone"	"Opana&reg;|oxymorphone hydrochloride"	"O=C1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O)O"	"UQCNKQCJZOAFTQ-ISWURRPUSA-N"	"InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1"	""	""	""
"7256"	"oxyphencyclimine"	""	"Synthetic organic"	"yes"	""	""	""	"178103830"	"4642"	""	""	"CHEMBL1495"	""	""	""	""	"(1-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate"	"oxyphencyclimine"	""	"CN1CCCN=C1COC(=O)C(c1ccccc1)(C1CCCCC1)O"	"DUDKAZCAISNGQN-UHFFFAOYSA-N"	"InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3"	""	""	""
"7257"	"oxyphenonium"	""	"Synthetic organic"	"yes"	""	""	""	"178103831"	"5749"	""	""	"CHEMBL1201286"	""	""	""	""	"{2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}diethylmethylazanium"	"oxyphenonium bromide"	"oxyphenonium bromide"	"CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C"	"GFRUPHOKLBPHTQ-UHFFFAOYSA-N"	"InChI=1S/C21H34NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3/q+1"	""	""	""
"10919"	"oxytetracycline"	""	"Natural product"	"yes"	""	""	""	"405560360"	"54675779"	""	""	"CHEMBL1517"	""	""	""	""	"(4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide"	"oxytetracycline"	"E703|NSC-9169|Terramycin&reg;"	"CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1[C@@H](O)[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O)O)C(=O)N)C"	"OWFJMIVZYSDULZ-PXOLEDIWSA-N"	"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1"	""	""	"yes"
"2174"	"oxytocin"	"Human, Mouse, Rat"	"Peptide"	"yes"	""	""	""	"135651848"	"439302"	"P01179|P35454|P01178"	"ENSG00000101405|ENSMUSG00000027301|ENSRNOG00000021225"	"CHEMBL395429"	""	""	""	""	"(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide"	"oxytocin"	"OT|Otx|Pitocin&reg;|Syntocinon&reg;"	"CC[C@@H]([C@@H]1NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)C"	"XNOPRXBHLZRZKH-DSZYJQQASA-N"	"InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1"	""	""	""
"9866"	"ozagrel"	""	"Synthetic organic"	"yes"	""	""	""	"363894160"	"5282440"	""	""	"CHEMBL11662"	""	""	""	""	"3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid"	"ozagrel"	"Cataclot&reg;|KCT-0809|OKY-046|Pulmoza&reg;"	"OC(=O)/C=C/c1ccc(cc1)Cn1ccnc1"	"SHZKQBHERIJWAO-AATRIKPKSA-N"	"InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+"	"yes"	""	""
"8254"	"ozanezumab"	""	"Antibody"	""	""	""	""	"249565934"	"0"	""	""	""	""	""	""	""	""	"ozanezumab"	"GSK-1223249|GSK1223249"	""	""	""	""	""	""
"8709"	"ozanimod"	""	"Synthetic organic"	"yes"	""	""	""	"252827367"	"52938427"	""	""	""	""	""	""	""	"5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile"	"ozanimod"	"RPC-1063|RPC1063|Zeposia&reg;"	"OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C"	"XRVDGNKRPOAQTN-FQEVSTJZSA-N"	"InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1"	"yes"	""	""
"10841"	"ozenoxacin"	""	"Synthetic organic"	"yes"	""	""	""	"405560282"	"9863827"	""	""	"CHEMBL3990047"	""	""	""	""	"1-cyclopropyl-8-methyl-7-[5-methyl-6-(methylamino)pyridin-3-yl]-4-oxoquinoline-3-carboxylic acid"	"ozenoxacin"	"Ozadub&reg;|T-3912|T3912|Xepi&reg;"	"CNc1ncc(cc1C)c1ccc2c(c1C)n(cc(c2=O)C(=O)O)C1CC1"	"XPIJWUTXQAGSLK-UHFFFAOYSA-N"	"InChI=1S/C21H21N3O3/c1-11-8-13(9-23-20(11)22-3)15-6-7-16-18(12(15)2)24(14-4-5-14)10-17(19(16)25)21(26)27/h6-10,14H,4-5H2,1-3H3,(H,22,23)(H,26,27)"	""	""	"yes"
"9638"	"ozoralizumab"	""	"Antibody"	""	""	""	""	"340590268"	"0"	""	""	""	""	""	""	""	""	"ozoralizumab"	"ATN-103|PF-5230896"	""	""	""	"yes"	""	""
"14334"	"ozureprubart"	""	"Antibody"	""	""	""	""	"523352126"	"0"	""	""	""	""	""	""	""	""	"ozureprubart"	"JYB1904|RPT-904|RPT904"	""	""	""	"yes"	""	""
"2325"	"P05"	""	"Peptide"	""	""	""	""	"135652375"	"0"	"P31719"	""	""	""	""	""	""	""	""	"AmP05|leiurotoxin I-like toxin P05|Potassium channel toxin &alpha;-KTx 5.2"	""	""	""	""	""	""
"6595"	"P11"	""	"Peptide"	""	""	""	""	"178103208"	"11158398"	""	""	""	""	""	""	""	""	""	""	"CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)O"	"MBZSEGOTVVCKNO-KESUXUJOSA-N"	"InChI=1S/C30H47N11O10/c1-15(2)24(29(49)39-20(8-17-11-34-14-36-17)26(46)37-19(30(50)51)5-3-4-6-31)41-27(47)21(9-23(43)44)38-28(48)22(12-42)40-25(45)18(32)7-16-10-33-13-35-16/h10-11,13-15,18-22,24,42H,3-9,12,31-32H2,1-2H3,(H,33,35)(H,34,36)(H,37,46)(H,38,48)(H,39,49)(H,40,45)(H,41,47)(H,43,44)(H,50,51)/t18-,19-,20-,21-,22-,24-/m0/s1"	""	""	""
"5237"	"p122-RhoGAP"	"Rat"	"Peptide"	""	""	""	""	"178101921"	"0"	"Q63744"	"ENSRNOG00000010780"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9740"	"P218"	""	"Synthetic organic"	""	""	""	""	"374883828"	"66563688"	""	""	"CHEMBL3040038"	""	""	""	""	"3-[2-[3-(2,4-diamino-6-ethylpyrimidin-5-yl)oxypropoxy]phenyl]propanoic acid"	""	"MMV000147"	"CCc1nc(N)nc(c1OCCCOc1ccccc1CCC(=O)O)N"	"VDGXZSSDCDPCRF-UHFFFAOYSA-N"	"InChI=1S/C18H24N4O4/c1-2-13-16(17(19)22-18(20)21-13)26-11-5-10-25-14-7-4-3-6-12(14)8-9-15(23)24/h3-4,6-7H,2,5,8-11H2,1H3,(H,23,24)(H4,19,20,21,22)"	""	"yes"	""
"6659"	"P2pal18S"	""	"Peptide"	""	""	""	""	"178103271"	"0"	""	""	""	""	""	""	""	""	""	"P2pal-18S"	""	""	""	""	""	""
"13422"	"P2Y<sub>14</sub>R antagonist I-17"	""	"Synthetic organic"	""	""	""	""	"496703392"	"166194091"	""	""	""	""	""	""	""	"N-(3H-benzimidazol-5-yl)-2-(4-bromophenoxy)acetamide"	""	"compound I-17 [PMID: 38874515]"	"C1=CC(=CC=C1OCC(=O)NC2=CC3=C(C=C2)N=CN3)Br"	"OMPWLXOPMAMOCA-UHFFFAOYSA-N"	"InChI=1S/C15H12BrN3O2/c16-10-1-4-12(5-2-10)21-8-15(20)19-11-3-6-13-14(7-11)18-9-17-13/h1-7,9H,8H2,(H,17,18)(H,19,20)"	"yes"	""	""
"9384"	"P32 [PMID: 27108698]"	""	"Peptide"	""	""	""	""	"328083486"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6013"	"p38 MAP kinase inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102635"	"4665"	""	""	"CHEMBL91730"	""	""	""	""	"2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazol-3-one"	""	"compound 6 [PMID: 9873604]"	"Fc1ccc(cc1)c1c([nH]n(c1=O)c1ccc(cc1)Cl)c1ccncc1"	"DZFBYHUKZSRPHU-UHFFFAOYSA-N"	"InChI=1S/C20H13ClFN3O/c21-15-3-7-17(8-4-15)25-20(26)18(13-1-5-16(22)6-2-13)19(24-25)14-9-11-23-12-10-14/h1-12,24H"	""	""	""
"6014"	"p38 MAP kinase inhibitor III"	""	"Synthetic organic"	""	""	""	""	"178102636"	"6419739"	""	""	"CHEMBL111364"	""	""	""	""	"4-[5-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine"	""	"ML-3403|ML3403"	"CSc1nc(c([nH]1)c1ccc(cc1)F)c1ccnc(c1)NC(c1ccccc1)C"	"VXPWQNBKEIVYIS-UHFFFAOYSA-N"	"InChI=1S/C23H21FN4S/c1-15(16-6-4-3-5-7-16)26-20-14-18(12-13-25-20)22-21(27-23(28-22)29-2)17-8-10-19(24)11-9-17/h3-15H,1-2H3,(H,25,26)(H,27,28)"	""	""	""
"10270"	"P4pal-10"	""	"Peptide"	""	""	""	""	"381744951"	"0"	""	""	""	""	""	""	""	""	""	"P4pal10"	""	""	""	""	""	""
"8344"	"P4 [PMID: 25923432]"	""	"Peptide"	""	""	""	""	"252166556"	"134813894"	""	""	""	""	""	""	""	""	""	""	"OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CCCN=C(N)N)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1nc[nH]c1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCC(=O)O)CC(C)C"	"UGSPCJRSHHDBMB-OEAGQSEASA-N"	"InChI=1S/C58H93N19O19/c1-29(2)19-35(71-47(85)32(59)26-78)48(86)65-25-45(82)69-38(21-31-23-63-28-67-31)56(94)76-17-7-10-40(76)52(90)70-34(13-14-46(83)84)55(93)75-16-6-11-41(75)53(91)73-36(20-30(3)4)50(88)74-39(27-79)51(89)72-37(22-43(60)80)49(87)66-24-44(81)68-33(9-5-15-64-58(61)62)54(92)77-18-8-12-42(77)57(95)96/h23,28-30,32-42,78-79H,5-22,24-27,59H2,1-4H3,(H2,60,80)(H,63,67)(H,65,86)(H,66,87)(H,68,81)(H,69,82)(H,70,90)(H,71,85)(H,72,89)(H,73,91)(H,74,88)(H,83,84)(H,95,96)(H4,61,62,64)/t32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1"	""	""	""
"8070"	"P505-15"	""	"Synthetic organic"	""	""	""	""	"249565750"	"44462758"	""	""	"CHEMBL2177736"	""	""	""	""	"2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide"	""	"BIIB057|PRT-062607|PRT062607"	"N[C@H]1CCCC[C@H]1Nc1ncc(c(n1)Nc1cccc(c1)n1nccn1)C(=O)N"	"TXGKRVFSSHPBAJ-JKSUJKDBSA-N"	"InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1"	"yes"	""	""
"4280"	"P552-02"	""	"Synthetic organic"	""	""	""	""	"178101097"	"10310524"	""	""	"CHEMBL212432"	""	""	""	""	"3,5-diamino-6-chloro-N-(N'-{4-[4-(2,3-dihydroxypropoxy)phenyl]butyl}carbamimidoyl)pyrazine-2-carboxamide"	""	""	"OCC(COc1ccc(cc1)CCCCN=C(NC(=O)c1nc(Cl)c(nc1N)N)N)O"	"NTRKMGDUWYBLMS-UHFFFAOYSA-N"	"InChI=1S/C19H26ClN7O4/c20-15-17(22)26-16(21)14(25-15)18(30)27-19(23)24-8-2-1-3-11-4-6-13(7-5-11)31-10-12(29)9-28/h4-7,12,28-29H,1-3,8-10H2,(H4,21,22,26)(H3,23,24,27,30)"	""	""	""
"9385"	"P59 [PMID: 27108698]"	""	"Peptide"	""	""	""	""	"328083487"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8877"	"P6949"	""	"Synthetic organic"	""	""	""	""	"252827534"	"24204784"	""	""	"CHEMBL2057662"	""	""	""	""	"3-(3-stibonophenyl)propanoic acid"	""	""	"OC(=O)CCc1cccc(c1)[Sb](=O)(O)O"	"VXMRXQJADBGVFN-UHFFFAOYSA-L"	"InChI=1S/C9H9O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-5H,6-7H2,(H,10,11);2*1H2;;/q;;;;+2/p-2"	""	""	""
"8345"	"P8 [PMID: 25923432]"	""	"Peptide"	""	""	""	""	"252166557"	"155817502"	""	""	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O"	"ASNYBKBWOJOFFP-CPDXTSBQSA-N"	"InChI=1S/C35H53N7O20/c1-15(2)13-22(35(61)62)42-33(59)20(7-12-27(51)52)39-31(57)18(5-10-25(47)48)40-34(60)21(14-28(53)54)41-32(58)19(6-11-26(49)50)38-30(56)17(4-9-24(45)46)37-29(55)16(36)3-8-23(43)44/h15-22H,3-14,36H2,1-2H3,(H,37,55)(H,38,56)(H,39,57)(H,40,60)(H,41,58)(H,42,59)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,61,62)/t16-,17-,18-,19-,20-,21-,22-/m0/s1"	""	""	""
"10415"	"PA21A092"	""	"Synthetic organic"	""	""	""	""	"385612175"	"85470655"	""	""	""	""	""	""	""	"N-[4-(4-chloro-2-fluorophenyl)-2,5-dimethylpyrazol-3-yl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide"	""	"PA92"	"O=C(Nc1n(C)nc(c1c1ccc(cc1F)Cl)C)Cn1c(nc2c1cccc2)C(C)C"	"AXHVMTZWSKDPRR-UHFFFAOYSA-N"	"InChI=1S/C23H23ClFN5O/c1-13(2)22-26-18-7-5-6-8-19(18)30(22)12-20(31)27-23-21(14(3)28-29(23)4)16-10-9-15(24)11-17(16)25/h5-11,13H,12H2,1-4H3,(H,27,31)"	""	"yes"	""
"2815"	"PA451"	""	"Synthetic organic"	""	""	""	""	"135650786"	"9823741"	""	""	"CHEMBL332486"	""	""	""	""	"2-[methyl-(5,5,8,8-tetramethyl-3-pentoxy-6, 7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid"	""	"PA 451"	"CCCCCOc1cc2c(cc1N(c1ncc(cn1)C(=O)O)C)C(C)(C)CCC2(C)C"	"PMHLEYZHMPYVLJ-UHFFFAOYSA-N"	"InChI=1S/C25H35N3O3/c1-7-8-9-12-31-21-14-19-18(24(2,3)10-11-25(19,4)5)13-20(21)28(6)23-26-15-17(16-27-23)22(29)30/h13-16H,7-12H2,1-6H3,(H,29,30)"	""	""	""
"8905"	"PA452"	""	"Synthetic organic"	""	""	""	""	"310264686"	"9803242"	""	""	"CHEMBL115097"	""	""	""	""	"2-[(3-hexoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-methylamino]pyrimidine-5-carboxylic acid"	""	"compound 6b [PMID: 12139443]|compound 9 [PMID: 24900278]|PA 452|PA-452"	"CCCCCCOc1cc2c(cc1N(c1ncc(cn1)C(=O)O)C)C(C)(C)CCC2(C)C"	"JJUUTJCZMGZJDZ-UHFFFAOYSA-N"	"InChI=1S/C26H37N3O3/c1-7-8-9-10-13-32-22-15-20-19(25(2,3)11-12-26(20,4)5)14-21(22)29(6)24-27-16-18(17-28-24)23(30)31/h14-17H,7-13H2,1-6H3,(H,30,31)"	""	""	""
"11772"	"pabinafusp alfa"	""	"Antibody"	"yes"	""	""	""	"458923807"	"0"	""	""	""	""	""	""	""	""	"pabinafusp alfa"	"IZCARGO&reg;|JR-141|JR141"	""	""	""	""	""	""
"5238"	"PAC1"	""	"Synthetic organic"	""	""	""	""	"178101922"	"135421197"	""	""	""	""	""	""	""	"2-(4-benzylpiperazin-1-yl)-N'-[(1Z)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene]acetohydrazide"	""	"PAC-1"	"C=CCc1cccc(c1O)/C=N\NC(=O)CN1CCN(CC1)Cc1ccccc1"	"YQNRVGJCPCNMKT-JLPGSUDCSA-N"	"InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16-"	""	""	""
"2257"	"PACAP-27"	"Human, Mouse, Rat, Sheep"	"Peptide"	""	""	""	""	"135651849"	"16133238"	"P16613|O70176|P13589|P18509"	"ENSMUSG00000024256|ENSRNOG00000049882|ENSOARG00020009231"	""	""	""	""	""	""	""	"pituitary adenylate cyclase activating polypeptide-27"	"NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)C(C)C)C)C)CC(C)C)Cc1ccc(cc1)O)CCCCN)CCCCN)C(C)C)C)CCSC)CCC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1[nH]cnc1)N)CO)CC(=O)O)Cc1ccccc1)CC(=O)O)CO)Cc1ccc(cc1)O)CO)CCCNC(=N)N)Cc1ccc(cc1)O)CCCNC(=N)N"	"RZGBUJXSKLDAFE-UHFFFAOYSA-N"	"InChI=1S/C142H224N40O39S/c1-16-75(10)113(179-108(191)66-156-120(201)102(63-109(192)193)173-135(216)104(67-183)176-119(200)88(146)62-84-65-153-70-157-84)139(220)174-101(58-80-28-18-17-19-29-80)133(214)182-114(79(14)186)140(221)175-103(64-110(194)195)132(213)178-106(69-185)136(217)172-100(61-83-39-45-87(189)46-40-83)131(212)177-105(68-184)134(215)164-93(34-27-54-155-142(151)152)126(207)170-98(59-81-35-41-85(187)42-36-81)129(210)163-92(33-26-53-154-141(149)150)124(205)161-89(30-20-23-50-143)122(203)165-94(47-48-107(147)190)127(208)166-95(49-55-222-15)121(202)159-78(13)118(199)180-111(73(6)7)137(218)167-91(32-22-25-52-145)123(204)162-90(31-21-24-51-144)125(206)171-99(60-82-37-43-86(188)44-38-82)130(211)169-97(57-72(4)5)128(209)160-76(11)116(197)158-77(12)117(198)181-112(74(8)9)138(219)168-96(115(148)196)56-71(2)3/h17-19,28-29,35-46,65,70-79,88-106,111-114,183-189H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,190)(H2,148,196)(H,153,157)(H,156,201)(H,158,197)(H,159,202)(H,160,209)(H,161,205)(H,162,204)(H,163,210)(H,164,215)(H,165,203)(H,166,208)(H,167,218)(H,168,219)(H,169,211)(H,170,207)(H,171,206)(H,172,217)(H,173,216)(H,174,220)(H,175,221)(H,176,200)(H,177,212)(H,178,213)(H,179,191)(H,180,199)(H,181,198)(H,182,214)(H,192,193)(H,194,195)(H4,149,150,154)(H4,151,152,155)"	""	""	""
"2258"	"PACAP-38"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651850"	"0"	"P13589|P18509|O70176"	"ENSG00000141433|ENSRNOG00000049882|ENSMUSG00000024256"	""	""	""	""	""	""	""	"pituitary adenylate cyclase activating polypeptide-38"	""	""	""	""	""	""
"2267"	"PACAP-(6-38)"	""	"Peptide"	""	""	""	""	"135652376"	"0"	""	""	""	""	""	""	""	""	""	"pituitary adenylate cyclase activating polypeptide (6-38)"	""	""	""	""	""	""
"14206"	"pacibekitug"	""	"Antibody"	""	""	""	""	"518520833"	"0"	""	""	""	""	""	""	""	""	"pacibekitug"	"PF 4236921|PF-4236921|PF04236921|TOUR-006|TOUR006"	""	""	""	"yes"	""	""
"13473"	"pacidamycin"	""	"Natural product"	""	""	""	""	"500839883"	"44340968"	""	""	"CHEMBL419386"	""	""	""	""	"(2S)-2-[[(2S)-1-[[(2S,3S)-3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-1-[[(2R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methylamino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid"	""	""	"C[C@@H]([C@@H](C(=O)NC[C@H]1C[C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)NC(=O)[C@H](C)NC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O)N(C)C(=O)[C@H](CC5=CC=C(C=C5)O)N"	"HKPRQZOLLXYDJX-KOGPLRHPSA-N"	"InChI=1S/C38H47N9O11/c1-19(42-37(56)43-28(36(54)55)15-22-17-40-27-7-5-4-6-25(22)27)32(51)45-31(20(2)46(3)34(53)26(39)14-21-8-10-23(48)11-9-21)33(52)41-18-24-16-29(49)35(58-24)47-13-12-30(50)44-38(47)57/h4-13,17,19-20,24,26,28-29,31,35,40,48-49H,14-16,18,39H2,1-3H3,(H,41,52)(H,45,51)(H,54,55)(H2,42,43,56)(H,44,50,57)/t19-,20-,24+,26-,28-,29+,31-,35+/m0/s1"	""	""	"yes"
"2770"	"paclitaxel"	""	"Natural product"	"yes"	""	""	""	"135652721"	"36314"	""	""	"CHEMBL428647"	""	""	""	""	"(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate"	"paclitaxel"	"7-epipaclitaxel|Abraxane&reg; (albumin-bound suspension)|Taxol&reg;"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C"	"RCINICONZNJXQF-MZXODVADSA-N"	"InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1"	""	""	""
"7793"	"pacritinib"	""	"Synthetic organic"	"yes"	""	""	""	"223366124"	"46216796"	""	""	"CHEMBL2035187"	""	""	""	""	"11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene"	"pacritinib"	"SB-1518|SB1518|Vonjo&reg;"	"C1/C=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nc(c3cc(CO1)ccc3)ccn2"	"HWXVIOGONBBTBY-ONEGZZNKSA-N"	"InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+"	""	""	""
"10593"	"padnarsertib"	""	"Synthetic organic"	""	""	""	""	"404859040"	"117779453"	""	""	""	""	""	""	""	"(E)-3-(6-aminopyridin-3-yl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide"	"padnarsertib"	"KPT-9274|KPT9274|PAK4-IN-1"	"O=C(NCc1cc2c(o1)c(cc(c2)c1ccc(cc1)C(=O)N1CCC(CC1)(F)F)c1ccc(cc1)F)/C=C/c1ccc(nc1)N"	"MRFOPLWJZULAQD-SWGQDTFXSA-N"	"InChI=1S/C35H29F3N4O3/c36-28-9-7-24(8-10-28)30-19-26(23-3-5-25(6-4-23)34(44)42-15-13-35(37,38)14-16-42)17-27-18-29(45-33(27)30)21-41-32(43)12-2-22-1-11-31(39)40-20-22/h1-12,17-20H,13-16,21H2,(H2,39,40)(H,41,43)/b12-2+"	""	""	""
"1831"	"PAF"	""	"Metabolite"	""	""	""	""	"135651534"	"108156"	""	""	"CHEMBL1235246"	""	""	""	""	"[(2R)-2-acetyloxy-3-hexadecoxypropyl] 2-trimethylazaniumylethyl phosphate"	""	"PAF (C16)|PAF C-16|platelet activating factor"	"CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-]"	"HVAUUPRFYPCOCA-AREMUKBSSA-N"	"InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1"	"yes"	""	""
"10842"	"pafuramidine"	""	"Synthetic organic"	""	""	""	""	"405560283"	"5480200"	""	""	"CHEMBL319669"	""	""	""	""	"N'-methoxy-4-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide"	"pafuramidine"	"DB-289|DB289"	"CO/N=C(/c1ccc(cc1)c1ccc(o1)c1ccc(cc1)/C(=N/OC)/N)\N"	"UKOQVLAXCBRRGH-UHFFFAOYSA-N"	"InChI=1S/C20H20N4O3/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24)"	""	""	"yes"
"8776"	"PAK-104P"	""	"Synthetic organic"	""	""	""	""	"252827434"	"21226959"	""	""	"CHEMBL2074650"	""	""	""	""	"2-[4-[di(phenyl)methyl]piperazin-1-yl]ethyl 5-[(4R,6R)-4,6-dimethyl-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl]-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate"	""	"PAK104P"	"C[C@@H]1C[C@@H](C)OP(=O)(O1)c1c(C)nc(c(c1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)C"	"PFKHLXIJSNUZDT-KAYWLYCHSA-N"	"InChI=1S/C38H43N4O7P/c1-26-24-27(2)49-50(46,48-26)37-29(4)39-28(3)34(35(37)32-16-11-17-33(25-32)42(44)45)38(43)47-23-22-40-18-20-41(21-19-40)36(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-17,25-27,36H,18-24H2,1-4H3/t26-,27-/m1/s1"	""	""	""
"11946"	"palacaparib"	""	"Synthetic organic"	""	""	""	""	"461663501"	"162524593"	""	""	"CHEMBL5095223"	""	""	""	""	"6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide"	"palacaparib"	"AZD-9574|AZD9574|example 20 [WO2021260092A1]|TQB3823"	"CNC(=O)c1nc(F)c(cc1)N1CCN(Cc2c(F)c3c(cc2)nc(C)c(=O)[nH]3)CC1"	"WXRCLFFPZXJCLS-UHFFFAOYSA-N"	"InChI=1S/C21H22F2N6O2/c1-12-20(30)27-18-14(25-12)4-3-13(17(18)22)11-28-7-9-29(10-8-28)16-6-5-15(21(31)24-2)26-19(16)23/h3-6H,7-11H2,1-2H3,(H,24,31)(H,27,30)"	""	""	""
"7380"	"palbociclib"	""	"Synthetic organic"	"yes"	""	""	""	"178103952"	"5330286"	""	""	"CHEMBL189963"	""	""	""	""	"6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[6,5-d]pyrimidin-7-one"	"palbociclib"	"Ibrance&reg;|PD-0332991|PD0332991"	"CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)N1CCNCC1"	"AHJRHEGDXFFMBM-UHFFFAOYSA-N"	"InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)"	""	""	""
"10843"	"paldimycin"	""	"Synthetic organic"	""	""	""	""	"405560284"	"135889914"	""	""	""	""	""	""	""	"(3S)-3-[5-[3-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-2-[[(2R)-2-acetamido-2-carboxyethyl]sulfanylcarbothioylamino]butanoyl]oxy-6-(acetyloxymethyl)-3-hydroxy-4-[5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-[(2S)-2-methylbutanoyl]oxyethyl]oxan-2-yl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid;(3S)-3-[5-[3-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-2-[[(2R)-2-acetamido-2-carboxyethyl]sulfanylcarbothioylamino]butanoyl]oxy-6-(acetyloxymethyl)-3-hydroxy-4-[5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-(2-methylpropanoyloxy)ethyl]oxan-2-yl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid"	"paldimycin"	"Antibiotic 273 A|U-70,138|U-70138F"	"CC[C@@H](C(=O)O[C@H](C1(O)C(OC)CC(OC1C)OC1C(OC(=O)C(C(SC[C@@H](C(=O)O)NC(=O)C)C)NC(=S)SC[C@@H](C(=O)O)NC(=O)C)C(COC(=O)C)OC(C1O)[C@@]1(O)CC(=O)C(=N)C(=C1O)C(=O)O)C)C.COC1CC(OC2C(OC(=O)C(C(SC[C@@H](C(=O)O)NC(=O)C)C)NC(=S)SC[C@@H](C(=O)O)NC(=O)C)C(COC(=O)C)OC(C2O)[C@@]2(O)CC(=O)C(=N)C(=C2O)C(=O)O)OC(C1(O)[C@@H](OC(=O)C(C)C)C)C"	"VSHJMNNDPYEUOT-ILYCIZJESA-N"	"InChI=1S/C44H64N4O23S3.C43H62N4O23S3/c1-10-16(2)40(61)68-19(5)44(64)18(4)67-28(11-27(44)65-9)70-34-32(53)36(43(63)12-25(52)30(45)29(35(43)54)39(59)60)69-26(13-66-22(8)51)33(34)71-41(62)31(17(3)73-14-23(37(55)56)46-20(6)49)48-42(72)74-15-24(38(57)58)47-21(7)50;1-15(2)39(60)67-18(5)43(63)17(4)66-27(10-26(43)64-9)69-33-31(52)35(42(62)11-24(51)29(44)28(34(42)53)38(58)59)68-25(12-65-21(8)50)32(33)70-40(61)30(16(3)72-13-22(36(54)55)45-19(6)48)47-41(71)73-14-23(37(56)57)46-20(7)49/h16-19,23-24,26-28,31-34,36,45,53-54,63-64H,10-15H2,1-9H3,(H,46,49)(H,47,50)(H,48,72)(H,55,56)(H,57,58)(H,59,60);15-18,22-23,25-27,30-33,35,44,52-53,62-63H,10-14H2,1-9H3,(H,45,48)(H,46,49)(H,47,71)(H,54,55)(H,56,57)(H,58,59)/t16-,17?,18?,19-,23-,24-,26?,27?,28?,31?,32?,33?,34?,36?,43+,44?;16?,17?,18-,22-,23-,25?,26?,27?,30?,31?,32?,33?,35?,42+,43?/m00/s1"	""	""	"yes"
"6954"	"palifermin"	""	"Peptide"	"yes"	""	""	""	"178103536"	"0"	""	""	"CHEMBL1201821"	""	""	""	""	""	"palifermin"	"Kepivance&reg;|keratinocyte growth factor"	""	""	""	""	""	""
"7258"	"paliperidone"	""	"Synthetic organic"	"yes"	""	""	""	"178103832"	"115237"	""	""	"CHEMBL1621"	""	""	""	""	"3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one"	"paliperidone"	"9-hydroxyrisperidone|Invega&reg;|Ro-76477|Ro-92670"	"Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2O"	"PMXMIIMHBWHSKN-UHFFFAOYSA-N"	"InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3"	""	""	""
"1055"	"palmitic acid"	""	"Metabolite"	""	""	""	""	"135651535"	"985"	""	""	"CHEMBL82293"	""	""	""	""	"Hexadecanoic acid"	""	"C16:0|cetylic acid|palmitate"	"CCCCCCCCCCCCCCCC(=O)O"	"IPCSVZSSVZVIGE-UHFFFAOYSA-N"	"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)"	""	""	""
"5547"	"palmitoleic acid"	""	"Metabolite"	""	""	""	""	"178102189"	"445638"	""	""	"CHEMBL453509"	""	""	""	""	"(Z)-Hexadec-9-enoic acid"	""	"(9Z)-hexadecenoic acid|9-cis-hexadecenoic acid"	"CCCCCC/C=C\CCCCCCCC(=O)O"	"SECPZKHBENQXJG-FPLPWBNLSA-N"	"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-"	""	""	""
"6765"	"palmitoyl-CoA"	""	"Metabolite"	""	""	""	""	"178103375"	"644109"	""	""	""	""	""	""	""	"S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hexadecanethioate"	""	"palmitoyl coenzyme A"	"CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O"	"MNBKLUUYKPBKDU-BBECNAHFSA-N"	"InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32+,36-/m1/s1"	""	""	""
"13414"	"Palmostatin B"	""	"Synthetic organic"	""	""	""	""	"496703384"	"45100481"	""	""	"CHEMBL1673415"	""	""	""	""	"(3S,4S)-3-decyl-4-[2-(3,4-dimethoxyphenyl)ethyl]oxetan-2-one"	""	""	"CCCCCCCCCC[C@H]1[C@@H](OC1=O)CCC2=CC(=C(C=C2)OC)OC"	"ASVWFAVGLYUDFD-PMACEKPBSA-N"	"InChI=1S/C23H36O4/c1-4-5-6-7-8-9-10-11-12-19-20(27-23(19)24)15-13-18-14-16-21(25-2)22(17-18)26-3/h14,16-17,19-20H,4-13,15H2,1-3H3/t19-,20-/m0/s1"	""	""	""
"2683"	"palmoxiric acid"	""	"Metabolite"	""	""	""	""	"178100229"	"71976"	""	""	"CHEMBL12394"	""	""	""	""	"2-tetradecyloxirane-2-carboxylic acid"	"palmoxiric acid"	"(&plusmn;) acid 3|2-tetradecylglycidic acid|MCN-3802|MCN-3802-21-98"	"CCCCCCCCCCCCCCC1(CO1)C(=O)O"	"FGIJQXGDQVNWKH-UHFFFAOYSA-N"	"InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-20-17)16(18)19/h2-15H2,1H3,(H,18,19)"	""	""	""
"7486"	"palonosetron"	""	"Synthetic organic"	"yes"	""	""	""	"187051789"	"6337614"	""	""	"CHEMBL1189679"	""	""	""	""	"(3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one"	"palonosetron"	"Aloxi&reg;|aurothioglucose|Ritanine&reg; (fosrolapitant + palonosetron)|RS-25259-197"	"O=C1N(C[C@@H]2c3c1cccc3CCC2)[C@@H]1CN2CCC1CC2"	"CPZBLNMUGSZIPR-NVXWUHKLSA-N"	"InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1"	""	""	""
"13484"	"palopegteriparatide"	""	"Peptide"	"yes"	""	""	""	"500839894"	"0"	""	""	""	""	""	""	""	""	"palopegteriparatide"	"mPEG-PTH (1-34)|TransCon PTH|Yorvipath&reg;"	""	""	""	""	""	""
"3516"	"palosuran"	""	"Synthetic organic"	""	""	""	""	"178100499"	"10173280"	""	""	"CHEMBL567303"	""	""	""	""	"1-[2-[4-hydroxy-4-(phenylmethyl)piperidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea"	"palosuran"	""	"O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1"	"WYJCYXOCHXWTHG-UHFFFAOYSA-N"	"InChI=1S/C25H30N4O2/c1-19-17-23(21-9-5-6-10-22(21)27-19)28-24(30)26-13-16-29-14-11-25(31,12-15-29)18-20-7-3-2-4-8-20/h2-10,17,31H,11-16,18H2,1H3,(H2,26,27,28,30)"	""	""	""
"8276"	"palovarotene"	""	"Synthetic organic"	"yes"	""	""	""	"252166488"	"10295295"	""	""	"CHEMBL2105648"	""	""	""	""	"4-[(E)-2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid"	"palovarotene"	"CLM-001|IPN-60120|IPN60120|R-667|R667|RG-667|Ro-3300074|Sohonos&reg;"	"OC(=O)c1ccc(cc1)/C=C/c1cc2c(cc1Cn1cccn1)C(C)(C)CCC2(C)C"	"YTFHCXIPDIHOIA-DHZHZOJOSA-N"	"InChI=1S/C27H30N2O2/c1-26(2)12-13-27(3,4)24-17-22(18-29-15-5-14-28-29)21(16-23(24)26)11-8-19-6-9-20(10-7-19)25(30)31/h5-11,14-17H,12-13,18H2,1-4H3,(H,30,31)/b11-8+"	""	""	""
"11880"	"paltimatrectinib"	""	"Synthetic organic"	""	""	""	""	"461663436"	"155753054"	""	""	""	""	""	""	""	"5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine"	""	"example I-147 [US20210094956A1]"	"Fc1c(cc(cc1)F)[C@@H]1N(CCC1)c1nc2n(cc1)ncc2n1ncc(c1)C(F)(F)F"	"FYPXPQSPRRZJCK-MRXNPFEDSA-N"	"InChI=1S/C20H15F5N6/c21-13-3-4-15(22)14(8-13)16-2-1-6-29(16)18-5-7-30-19(28-18)17(10-27-30)31-11-12(9-26-31)20(23,24)25/h3-5,7-11,16H,1-2,6H2/t16-/m1/s1"	""	""	""
"14237"	"paltusotine"	""	"Synthetic organic"	"yes"	""	""	""	"521588877"	"134168328"	""	""	"CHEMBL5267842"	""	""	""	""	"3-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-hydroxybenzonitrile"	"paltusotine"	"compound 22 [PMID: 36655128]|CRN-00808|CRN00808|Palsonify&reg;"	"C1CN(CCC1N)C2=C3C=C(C=CC3=NC=C2C4=CC(=CC(=C4)F)F)C5=CC=CC(=C5O)C#N"	"GHILNKWBALQPDP-UHFFFAOYSA-N"	"InChI=1S/C27H22F2N4O/c28-19-10-18(11-20(29)13-19)24-15-32-25-5-4-16(22-3-1-2-17(14-30)27(22)34)12-23(25)26(24)33-8-6-21(31)7-9-33/h1-5,10-13,15,21,34H,6-9,31H2"	""	""	""
"14139"	"palupiprant"	""	"Synthetic organic"	""	""	""	""	"518520766"	"56944705"	""	""	"CHEMBL3670685"	""	""	""	""	"4-[(1S)-1-[[3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carbonyl]amino]ethyl]benzoic acid"	"palupiprant"	"AN0025|E-7046|E7046|ER-886046|ER886046"	"C[C@@H](C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(N(N=C2C(F)F)C)OC3=CC=CC(=C3)C(F)(F)F"	"MKLKAQMPKHNQPR-NSHDSACASA-N"	"InChI=1S/C22H18F5N3O4/c1-11(12-6-8-13(9-7-12)21(32)33)28-19(31)16-17(18(23)24)29-30(2)20(16)34-15-5-3-4-14(10-15)22(25,26)27/h3-11,18H,1-2H3,(H,28,31)(H,32,33)/t11-/m0/s1"	""	""	""
"13570"	"PAM_16A"	""	"Synthetic organic"	""	""	""	""	"504705389"	"139347764"	""	""	""	""	""	""	""	"4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide"	""	"Compound 1 [WO2021014168A]|PAM-16A"	"ClC=1C=CC(=C(C1)CC(=O)NC2=CC(=NC=C2)C(=O)NC(C#C)(C)C)O"	"LSBYRABIJARLQT-UHFFFAOYSA-N"	"InChI=1S/C19H18ClN3O3/c1-4-19(2,3)23-18(26)15-11-14(7-8-21-15)22-17(25)10-12-9-13(20)5-6-16(12)24/h1,5-9,11,24H,10H2,2-3H3,(H,23,26)(H,21,22,25)"	""	""	""
"8560"	"Pam2CSK4"	""	"Peptide"	""	""	""	""	"252166761"	"9989023"	""	""	""	""	""	""	""	"(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid"	""	""	"CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)CCCCN)CCCCN)CCCCN)CO)N"	"LJUIOEFZFQRWJG-KKIBDXJDSA-N"	"InChI=1S/C65H126N10O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-58(77)86-48-51(87-59(78)42-28-26-24-22-20-18-16-14-12-10-8-6-4-2)49-88-50-52(70)60(79)75-57(47-76)64(83)73-54(38-30-34-44-67)62(81)71-53(37-29-33-43-66)61(80)72-55(39-31-35-45-68)63(82)74-56(65(84)85)40-32-36-46-69/h51-57,76H,3-50,66-70H2,1-2H3,(H,71,81)(H,72,80)(H,73,83)(H,74,82)(H,75,79)(H,84,85)/t51?,52-,53-,54-,55-,56-,57-/m0/s1"	"yes"	""	""
"8558"	"Pam3CSK4"	""	"Peptide"	""	""	""	""	"252166759"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"9915"	"pamapimod"	""	"Synthetic organic"	""	""	""	""	"363894209"	"16220188"	""	""	"CHEMBL1090089"	""	""	""	""	"6-(2,4-difluorophenoxy)-2-(1,5-dihydroxypentan-3-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one"	"pamapimod"	"compound 2b [PMID: 21375264]|Ro 4402257|Ro-4402257|Ro4402257"	"OCCC(Nc1ncc2c(n1)n(C)c(=O)c(c2)Oc1ccc(cc1F)F)CCO"	"JYYLVUFNAHSSFE-UHFFFAOYSA-N"	"InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24)"	"yes"	""	""
"7259"	"pamidronic acid"	""	"Synthetic organic"	"yes"	""	""	""	"178103833"	"4674"	""	""	"CHEMBL834"	""	""	""	""	"(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid"	"pamidronic acid"	"Aredia&reg;|CGP-23339AE|disodium pamidronate"	"NCCC(P(=O)(O)O)(P(=O)(O)O)O"	"WRUUGTRCQOWXEG-UHFFFAOYSA-N"	"InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)"	""	""	""
"595"	"[p-aminoPhe6]ang II"	""	"Peptide"	""	""	""	""	"135652377"	"0"	""	""	""	""	""	""	""	""	""	"[p-aminoPhe6] angiotensin II"	""	""	""	""	""	""
"12345"	"pamiparib"	""	"Synthetic organic"	"yes"	""	""	""	"479821136"	"135565554"	""	""	"CHEMBL4112930"	""	""	""	""	""	"pamiparib"	"BGB-290|BGB290|compound 139 [PMID: 33264017]|Partruvix&reg;"	"C[C@]12CCCN1Cc1n[nH]c(=O)c3c4c1c2[nH]c4cc(c3)F"	"DENYZIUJOTUUNY-MRXNPFEDSA-N"	"InChI=1S/C16H15FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6,18H,2-4,7H2,1H3,(H,20,22)/t16-/m1/s1"	""	""	""
"2920"	"pamoic acid"	""	"Synthetic organic"	""	""	""	""	"135650787"	"8546"	""	""	"CHEMBL177880"	""	""	""	""	"4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid"	"cycloguanil embonate|pamaquine|pararosaniline embonate"	"embonic acid"	"OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O"	"WLJNZVDCPSBLRP-UHFFFAOYSA-N"	"InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)"	""	""	""
"4056"	"PAMP-12 (human)"	""	"Peptide"	""	""	""	""	"178100880"	"0"	""	""	""	""	""	""	""	""	""	"Human PAMP(9-20)|proadrenomedullin N-terminal 20 Peptide (Human, 9-20)"	""	""	""	""	""	""
"4057"	"PAMP-20"	"Human"	"Peptide"	""	""	""	""	"178100881"	"0"	"P35318"	"ENSG00000148926"	""	""	""	""	""	""	""	"Human PAMP(1-20)|Proadrenomedullin N-terminal 20 peptide (human)"	""	""	""	""	""	""
"8928"	"pamrevlumab"	""	"Antibody"	""	""	""	""	"310264709"	"0"	""	""	""	""	""	""	""	""	"pamrevlumab"	"FG-3019"	""	""	""	""	""	""
"10460"	"pamufetinib"	""	"Synthetic organic"	""	""	""	""	"385612220"	"44247727"	""	""	"CHEMBL3764045"	""	""	""	""	"4-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide"	""	"TAS-115|TAS115"	"CNC(=O)c1cc2c(ccnc2cc1OC)Oc1ccc(cc1F)NC(=S)NC(=O)Cc1ccccc1"	"ORRNXRYWGDUDOG-UHFFFAOYSA-N"	"InChI=1S/C27H23FN4O4S/c1-29-26(34)19-14-18-21(15-24(19)35-2)30-11-10-22(18)36-23-9-8-17(13-20(23)28)31-27(37)32-25(33)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,29,34)(H2,31,32,33,37)"	""	""	""
"1480"	"pancreatic polypeptide"	"European common frog"	"Peptide"	""	""	""	""	"135652405"	"0"	"P31229"	""	""	""	""	""	""	""	""	"frog pancreatic polypeptide|PP"	""	""	""	""	""	""
"1512"	"pancreatic polypeptide"	"Human"	"Peptide"	""	""	""	""	"135651855"	"0"	"P01298"	"ENSG00000108849"	""	""	""	""	""	""	""	"PP"	""	""	""	""	""	""
"1511"	"pancreatic polypeptide"	"Bovine"	"Peptide"	""	""	""	""	"135652404"	"0"	"P01302"	""	""	""	""	""	""	""	""	"bovine pancreatic polypeptide|PP"	""	""	""	""	""	""
"1513"	"pancreatic polypeptide"	"Rat"	"Peptide"	""	""	""	""	"135651856"	"0"	"P06303"	"ENSRNOG00000020874"	""	""	""	""	""	""	""	"PP"	""	""	""	""	""	""
"3626"	"pancreatic polypeptide"	"Mouse"	"Peptide"	""	""	""	""	"135651857"	"0"	"P10601"	"ENSMUSG00000017316"	""	""	""	""	""	""	""	"PP"	""	""	""	""	""	""
"4001"	"pancuronium"	""	"Synthetic organic"	"yes"	""	""	""	"178100827"	"441289"	""	""	"CHEMBL185073"	""	""	""	""	"1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-2,15-dimethyl-13-(1-methylpiperidin-1-ium-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-4-yl]-1-methylpiperidin-1-ium"	"pancuronium bromide"	"Pavulon&reg;"	"CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]1(C)CCCCC1)C)CC[C@]1([C@H]3C[C@@H]([C@@H]1OC(=O)C)[N+]1(C)CCCCC1)C"	"GVEAYVLWDAFXET-XGHATYIMSA-N"	"InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1"	""	""	""
"2553"	"pandinotoxin-K &alpha;"	""	"Peptide"	""	""	""	""	"135652378"	"0"	""	""	""	""	""	""	""	""	""	"potassium channel toxin &alpha;-KTx 7.1|potassium channel-blocking toxin 2|toxin PiTX-K-&alpha;"	""	""	""	""	""	""
"12184"	"panipenem"	""	"Synthetic organic"	"yes"	""	""	""	"472319306"	"72015"	""	""	"CHEMBL339323"	""	""	""	""	"(5R,6S)-3-[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	"panipenem"	"Carbenin&reg; (panipenem + betamipron)|CS-533|RS-533"	"C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)S[C@H]1CCN(C1)C(=N)C)O"	"TYMABNNERDVXID-DLYFRVTGSA-N"	"InChI=1S/C15H21N3O4S/c1-7(19)12-10-5-11(13(15(21)22)18(10)14(12)20)23-9-3-4-17(6-9)8(2)16/h7,9-10,12,16,19H,3-6H2,1-2H3,(H,21,22)/t7-,9+,10-,12-/m1/s1"	""	""	"yes"
"6883"	"panitumumab"	""	"Antibody"	"yes"	""	""	""	"178103465"	"0"	""	""	""	""	""	""	""	""	"panitumumab"	"ABX-EGF|ABX-EGF Mab|Vectibix&reg;"	""	""	""	""	""	""
"13377"	"panobacumab"	""	"Antibody"	""	""	""	""	"496703347"	"0"	""	""	"CHEMBL1743055"	""	""	""	""	""	"panobacumab"	"Aerumab 11|Aerumab&trade;|AR-101|KBPA101"	""	""	""	""	""	"yes"
"7489"	"panobinostat"	""	"Synthetic organic"	"yes"	""	""	""	"187051792"	"6918837"	""	""	"CHEMBL483254"	""	""	""	""	"(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide"	"panobinostat"	"Farydak&reg;|LBH-589|LBH589"	"ONC(=O)/C=C/c1ccc(cc1)CNCCc1c(C)[nH]c2c1cccc2"	"FPOHNWQLNRZRFC-ZHACJKMWSA-N"	"InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+"	""	"yes"	""
"7260"	"pantoprazole"	""	"Synthetic organic"	"yes"	""	""	""	"178103834"	"4679"	""	""	"CHEMBL1502"	""	""	""	""	"6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole"	"pantoprazole"	"BY-1023|Protonix&reg;|SK-96022"	"COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F"	"IQPSEEYGBUAQFF-UHFFFAOYSA-N"	"InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)"	""	""	""
"4668"	"pantothenic acid"	""	"Metabolite"	""	""	""	""	"178101383"	"6613"	""	""	"CHEMBL1594"	""	""	""	""	"3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid"	""	"pantothenate|vitamin B5"	"OCC([C@H](C(=O)NCCC(=O)O)O)(C)C"	"GHOKWGTUZJEAQD-ZETCQYMHSA-N"	"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1"	""	""	""
"9916"	"panulisib"	""	"Synthetic organic"	""	""	""	""	"363894210"	"56947515"	""	""	""	""	""	""	""	"[8-[6-amino-5-(trifluoromethyl)pyridin-3-yl]-1-[6-(2-cyanopropan-2-yl)pyridin-3-yl]-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide"	"panulisib"	"example 96 [WO2012007926A1]|P7170"	"N#CN=c1n(c2ccc(nc2)C(C#N)(C)C)c2c(n1C)cnc1c2cc(cc1)c1cnc(c(c1)C(F)(F)F)N"	"VJLRLTSXTLICIR-UHFFFAOYSA-N"	"InChI=1S/C27H20F3N9/c1-26(2,13-31)22-7-5-17(11-35-22)39-23-18-8-15(16-9-19(27(28,29)30)24(33)36-10-16)4-6-20(18)34-12-21(23)38(3)25(39)37-14-32/h4-12H,1-3H3,(H2,33,36)"	""	""	""
"13147"	"papaverine"	""	"Natural product"	"yes"	""	""	""	"491299929"	"4680"	""	""	"CHEMBL19224"	""	""	""	""	"1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline"	""	"Pavacap&reg;|Pavadyl&reg;"	"COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC"	"XQYZDYMELSJDRZ-UHFFFAOYSA-N"	"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3"	""	""	""
"13652"	"para-aminosalicylic acid"	""	"Synthetic organic"	"yes"	""	""	""	"507750286"	"4649"	""	""	"CHEMBL1169"	""	""	""	""	"4-amino-2-hydroxybenzoic acid"	""	"4-aminosalicylic acid|Granupas&reg;|p-aminosalicylic acid|Paser&reg;|Rezipas&reg;"	"C1=CC(=C(C=C1N)O)C(=O)O"	"WUBBRNOQWQTFEX-UHFFFAOYSA-N"	"InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)"	""	""	"yes"
"5239"	"paracetamol"	""	"Synthetic organic"	"yes"	""	""	""	"178101923"	"1983"	""	""	"CHEMBL112"	""	""	""	""	"N-(4-hydroxyphenyl)acetamide"	"paracetamol"	"acetaminophen|N-Acetyl-p-aminophenol|Panadol&reg;|Tylenol&reg;"	"CC(=O)Nc1ccc(cc1)O"	"RZVAJINKPMORJF-UHFFFAOYSA-N"	"InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)"	""	""	""
"5787"	"para-coumaric acid"	""	"Synthetic organic"	""	""	""	""	"178102412"	"637542"	""	""	"CHEMBL66879"	""	""	""	""	"(E)-3-(4-hydroxyphenyl)prop-2-enoic acid"	""	"hydroxycinnamic acid|p-coumaric acid"	"OC(=O)/C=C/c1ccc(cc1)O"	"NGSWKAQJJWESNS-ZZXKWVIFSA-N"	"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+"	""	""	""
"7261"	"paramethadione"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103835"	"8280"	""	""	"CHEMBL1100"	""	""	""	""	"5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione"	"paramethadione"	"isoethadione|Paradione&reg;"	"CCC1(C)OC(=O)N(C1=O)C"	"VQASKUSHBVDKGU-UHFFFAOYSA-N"	"InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3"	""	""	""
"4552"	"paraquat"	""	"Synthetic organic"	""	""	""	""	"178101273"	"15938"	""	""	"CHEMBL458019"	""	""	""	""	"1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride"	""	"1,1'-dimethyl-4,4' bipyridinium dichloride"	"C[n+]1ccc(cc1)c1cc[n+](cc1)C.[Cl-].[Cl-]"	"FIKAKWIAUPDISJ-UHFFFAOYSA-L"	"InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2"	""	""	""
"5352"	"parawixin 1"	""	"Natural product"	""	""	""	""	"178102014"	"0"	""	""	""	""	""	""	""	""	""	"PbTx1"	""	""	""	""	""	""
"2895"	"parecoxib"	""	"Synthetic organic"	"yes"	""	""	""	"178100244"	"119828"	""	""	"CHEMBL1206690"	""	""	""	""	"N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide"	"parecoxib"	"Dynastat&reg;|SC-69124"	"CCC(=O)NS(=O)(=O)c1ccc(cc1)c1c(C)onc1c1ccccc1"	"TZRHLKRLEZJVIJ-UHFFFAOYSA-N"	"InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)"	"yes"	""	""
"7262"	"pargyline"	""	"Synthetic organic"	"yes"	""	""	""	"178103836"	"4688"	""	""	"CHEMBL673"	""	""	""	""	"benzyl(methyl)(prop-2-yn-1-yl)amine"	"pargyline"	"A-19120|Eutonyl&reg;|MO-911"	"CN(Cc1ccccc1)CC#C"	"DPWPWRLQFGFJFI-UHFFFAOYSA-N"	"InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3"	""	""	""
"2791"	"paricalcitol"	""	"Metabolite"	"yes"	""	""	""	"135651536"	"5281104"	""	""	"CHEMBL1200622"	""	""	""	""	"(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol"	"paricalcitol"	"Zemplar&reg;"	"O[C@H]1C[C@H](O)CC(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@@H](C(O)(C)C)C)C)C)C1"	"BPKAHTKRCLCHEA-UBFJEZKGSA-N"	"InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1"	""	""	""
"13714"	"paridiprubart"	""	"Antibody"	""	""	""	""	"507750348"	"0"	""	""	""	""	""	""	""	""	"paridiprubart"	"EB05|NI 0101|NI-0101"	""	""	""	"yes"	""	""
"11273"	"paritaprevir"	""	"Synthetic organic"	"yes"	"yes"	""	""	"434321708"	"45110509"	""	""	"CHEMBL3391662"	""	""	""	""	""	"paritaprevir"	"ABT-450|ABT450|veruprevir (deprecated INN)|Viekirax&reg; (ombitasvir + paritaprevir + ritonavir; EU)"	"Cc1ncc(nc1)C(=O)N[C@H]1CCCCC/C=C\[C@H]2[C@](NC(=O)[C@H]3N(C1=O)C[C@@H](C3)Oc1nc3ccccc3c3c1cccc3)(C2)C(=O)NS(=O)(=O)C1CC1"	"UAUIUKWPKRJZJV-QPLHLKROSA-N"	"InChI=1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5-/t25-,26-,32+,34+,40-/m1/s1"	""	""	""
"12160"	"paromomycin"	""	"Natural product"	"yes"	""	""	""	"472319282"	"165580"	""	""	"CHEMBL370143"	""	""	""	""	"(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol"	"paromomycin"	"aminosidine|catenulin|Humatin&reg;|monomycin A"	"C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)N)O[C@H]1[C@@H]([C@@H]([C@H](O1)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CN)O)O)N)O)O)N"	"UOZODPSAJZTQNH-LSWIJEOBSA-N"	"InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1"	""	""	"yes"
"4790"	"paroxetine"	""	"Synthetic organic"	"yes"	""	""	""	"178101492"	"43815"	""	""	"CHEMBL490"	""	""	""	""	"(3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine"	"paroxetine"	"paroxetine hydrochloride (anhydrous or hemihydrate)|Paxil&reg;|Seroxat&reg;"	"Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2c(c1)OCO2"	"AHOUBRCZNHFOSL-YOEHRIQHSA-N"	"InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1"	""	""	""
"13961"	"PARP1 inhibitor (S)-G9"	""	"Synthetic organic"	""	""	""	""	"518520589"	"176041307"	""	""	""	""	""	""	""	"(3'S)-1'-({3-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-7-yl}methyl)-N,3'-dimethyl-1',2',3',6'-tetrahydro-[3,4'-bipyridine]-6-carboxamide"	""	""	"O=C(NC)C=1N=CC(=CC1)C2=CCN(CC3=CC=4NC(C5=C(F)C=CN5C4C=C3)=O)C[C@H]2C"	"ABDAIZOLNMTMCP-OAHLLOKOSA-N"	"InChI=1S/C25H24FN5O2/c1-15-13-30(9-7-18(15)17-4-5-20(28-12-17)24(32)27-2)14-16-3-6-22-21(11-16)29-25(33)23-19(26)8-10-31(22)23/h3-8,10-12,15H,9,13-14H2,1-2H3,(H,27,32)(H,29,33)/t15-/m1/s1"	""	""	""
"10098"	"parsaclisib"	""	"Synthetic organic"	""	""	""	""	"381118808"	"89420683"	""	""	""	""	""	""	""	""	"parsaclisib"	"compound 20 [PMID: 31749910]|IBI376|INCB-050465"	"CCOc1c(C2CNC(=O)C2)c(F)c(cc1[C@@H](n1nc(c2c1ncnc2N)C)C)Cl"	"ZQPDJCIXJHUERQ-VUWPPUDQSA-N"	"InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11?/m0/s1"	"yes"	""	""
"12428"	"parthenolide"	""	"Natural product"	""	""	""	""	"479821219"	"7251185"	""	""	"CHEMBL465158"	""	""	""	""	""	""	"(-)-Parthenolide"	"C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C"	"KTEXNACQROZXEV-PVLRGYAZSA-N"	"InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13+,15+/m0/s1"	""	""	""
"14415"	"parunoflast"	""	"Synthetic organic"	""	""	""	""	"523352207"	"169066851"	""	""	""	""	""	""	""	"2-[6-[(R)-hydroxy-[(3R)-1-methylpiperidin-3-yl]methyl]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol"	"parunoflast"	"Compound 17B [WO2023178099]"	"O[C@@H](C1=CC(=C(N=N1)C2=C(C=C(C=C2)C(F)(F)F)O)C)[C@H]3CN(CCC3)C"	"RWDYJVRIDGIICC-KZULUSFZSA-N"	"InChI=1S/C19H22F3N3O2/c1-11-8-15(18(27)12-4-3-7-25(2)10-12)23-24-17(11)14-6-5-13(9-16(14)26)19(20,21)22/h5-6,8-9,12,18,26-27H,3-4,7,10H2,1-2H3/t12-,18-/m1/s1"	"yes"	""	""
"7786"	"pascolizumab"	""	"Antibody"	""	""	""	""	"223366118"	"0"	""	""	""	""	""	""	""	""	"pascolizumab"	"SB-240683"	""	""	""	"yes"	""	""
"2018"	"pasireotide"	""	"Peptide"	"yes"	""	""	""	"135652473"	"9941444"	""	""	""	""	""	""	""	"[(3S,6S,9S,12R,15S,18S,20R)-9-(4-aminobutyl)-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-phenyl-6-[[4-(phenylmethoxy)phenyl]methyl]-3-(phenylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate"	"pasireotide"	"pasireotide diaspartate|Signifor&reg;|SOM 230|SOM 320|SOM-230"	"NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)OCc1ccccc1)Cc1ccccc1)C[C@@H](C2)OC(=O)NCCN)c1ccccc1)Cc1c[nH]c2c1cccc2"	"VMZMNAABQBOLAK-DBILLSOUSA-N"	"InChI=1S/C58H66N10O9/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72)/t43-,46+,47+,48-,49+,50+,51+/m1/s1"	""	""	""
"13751"	"pasodacigib"	""	"Synthetic organic"	""	""	""	""	"507750384"	"156406585"	""	""	""	""	""	""	""	"6-fluoro-1-methyl-4-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoquinoline-3-carboxamide"	"pasodacigib"	"Example 298 [US11998539B2]"	"CC1=CC2=C(C=C1)OC(=N2)C3CCN(CC3)C4=C(C(=O)N(C5=C4C=C(C=C5)F)C)C(=O)N"	"MOHUWNQEDDJZJK-UHFFFAOYSA-N"	"InChI=1S/C24H23FN4O3/c1-13-3-6-19-17(11-13)27-23(32-19)14-7-9-29(10-8-14)21-16-12-15(25)4-5-18(16)28(2)24(31)20(21)22(26)30/h3-6,11-12,14H,7-10H2,1-2H3,(H2,26,30)"	""	""	""
"14352"	"pasritamig"	""	"Antibody"	""	""	""	""	"523352144"	"0"	""	""	""	""	""	""	""	""	"pasritamig"	"JNJ-78278343|JNJ78278343"	""	""	""	""	""	""
"2709"	"PAT5A"	""	"Synthetic organic"	""	""	""	""	"135650788"	"18980163"	""	""	""	""	""	""	""	"(5Z)-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione"	""	""	"O=C1NC(=O)/C(=C/c2ccc(cc2)OCC2CCCN2c2ccccn2)/S1"	"GRLCJTHTWOJWJS-ATVHPVEESA-N"	"InChI=1S/C20H19N3O3S/c24-19-17(27-20(25)22-19)12-14-6-8-16(9-7-14)26-13-15-4-3-11-23(15)18-5-1-2-10-21-18/h1-2,5-10,12,15H,3-4,11,13H2,(H,22,24,25)/b17-12-"	""	""	""
"9854"	"pateclizumab"	""	"Antibody"	""	""	""	""	"363894148"	"0"	""	""	""	""	""	""	""	""	"pateclizumab"	"MLTA3698A|PRO283698|RG7416"	""	""	""	"yes"	""	""
"13611"	"patisiran"	""	"Nucleic acid"	"yes"	""	""	""	"504705430"	"0"	""	""	"CHEMBL3989987"	""	""	""	""	""	"patisiran"	"ALN-18328|ALN-TTR02|Onpattro&reg;"	""	""	""	""	""	""
"14121"	"patritumab deruxtecan"	""	"Antibody"	""	""	""	""	"518520748"	"0"	""	""	""	""	""	""	""	""	"patritumab deruxtecan"	"HER3-DXd|MK-1022|U3-1402"	""	""	""	"yes"	""	""
"5775"	"pavinetant"	""	"Synthetic organic"	""	""	""	""	"178102400"	"23649245"	""	""	"CHEMBL3545233"	""	""	""	""	"3-methanesulfonamido-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide"	"pavinetant"	"AZD-2624|AZD4901|MLE4901"	"CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1"	"QYTBBBAHNIWFOD-NRFANRHFSA-N"	"InChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1"	""	""	""
"10097"	"paxalisib"	""	"Synthetic organic"	""	""	""	""	"381118807"	"57384863"	""	""	"CHEMBL3813842"	""	""	""	""	"5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-amine"	"paxalisib"	"compound 16 [PMID: 27096040]|GDC-0084|GDC0084"	"Nc1ncc(cn1)c1nc(N2CCOCC2)c2c(n1)n1CCOC(c1n2)(C)C"	"LGWACEZVCMBSKW-UHFFFAOYSA-N"	"InChI=1S/C18H22N8O2/c1-18(2)16-22-12-14(25-3-6-27-7-4-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)5-8-28-18/h9-10H,3-8H2,1-2H3,(H2,19,20,21)"	""	""	""
"2309"	"paxilline"	""	"Synthetic organic"	""	""	""	""	"135650789"	"4697"	""	""	""	""	""	""	""	"11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0^{2,11}.0^{5,10}.0^{16,24}.0^{17,22}]tetracosa-9,16(24),17,19,21-pentaen-8-one"	""	""	"O=C1C=C2C(OC1C(O)(C)C)CCC1(C2(O)CCC2C1(C)c1[nH]c3c(c1C2)cccc3)C"	"ACNHBCIZLNNLRS-UHFFFAOYSA-N"	"InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3"	""	""	""
"5698"	"pazopanib"	""	"Synthetic organic"	"yes"	""	""	""	"178102325"	"10113978"	""	""	"CHEMBL477772"	""	""	""	""	"5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)-2-methylbenzene-1-sulfonamide"	"pazopanib"	"GW 786034|indazolylpyrimidine 13|Votrient&reg;"	"CN(c1ccc2c(c1)nn(c2C)C)c1ccnc(n1)Nc1ccc(c(c1)S(=O)(=O)N)C"	"CUIHSIWYWATEQL-UHFFFAOYSA-N"	"InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)"	""	""	""
"5427"	"Paz-PC"	""	"Synthetic organic"	""	""	""	""	"178102080"	"46907870"	""	""	""	""	""	""	""	"(2-{[(2R)-2-[(8-carboxyoctanoyl)oxy]-3-(hexadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium"	""	"1-palmitoyl-2-azelaoyl PC|azelaoyl PC"	"CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCC(=O)O)COP(=O)(OCC[N+](C)(C)C)[O-]"	"GHQQYDSARXURNG-SSEXGKCCSA-N"	"InChI=1S/C33H64NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-32(37)41-28-30(29-43-45(39,40)42-27-26-34(2,3)4)44-33(38)25-22-19-16-17-20-23-31(35)36/h30H,5-29H2,1-4H3,(H-,35,36,39,40)/t30-/m1/s1"	""	""	""
"12410"	"pazufloxacin"	""	"Synthetic organic"	"yes"	""	""	""	"479821201"	"65957"	""	""	"CHEMBL240163"	""	""	""	""	""	"pazufloxacin"	"Pasil&reg;|Pazucross&reg;|T-3761"	"C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2C4(CC4)N)F)C(=O)O"	"XAGMUUZPGZWTRP-ZETCQYMHSA-N"	"InChI=1S/C16H15FN2O4/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22/h4-5,7H,2-3,6,18H2,1H3,(H,21,22)/t7-/m0/s1"	""	""	"yes"
"6681"	"PB-28"	""	"Synthetic organic"	""	""	""	""	"178103293"	"10474335"	""	""	"CHEMBL53325"	""	""	""	""	"1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine"	""	"PB28"	"COc1cccc2c1CCCC2CCCN1CCN(CC1)C1CCCCC1"	"PHRCDWVPTULQMT-UHFFFAOYSA-N"	"InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3"	""	""	""
"14480"	"PBA"	""	"Synthetic organic"	""	""	""	""	"528429801"	"178342671"	""	""	""	""	""	""	""	"4-Chloro-2-(2-(3-(prop-2-yn-1-yloxy)phenoxy)acetamido)benzoic Acid"	""	"compound 118 [PMID: 41968916]"	"ClC1=CC(NC(COC2=CC=CC(OCC#C)=C2)=O)=C(C(O)=O)C=C1"	"LIKKYPUONMRDQN-UHFFFAOYSA-N"	"InChI=1S/C18H14ClNO5/c1-2-8-24-13-4-3-5-14(10-13)25-11-17(21)20-16-9-12(19)6-7-15(16)18(22)23/h1,3-7,9-10H,8,11H2,(H,20,21)(H,22,23)"	""	""	""
"3948"	"PBC-264"	""	"Peptide"	""	""	""	""	"178100775"	"5491702"	""	""	""	""	""	""	""	"(3S)-4-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-2-[[2-oxo-3-[[(1S)-1-[[(2S)-2-(propanoylamino)-3-(4-sulfooxyphenyl)propanoyl]amino]pentyl]amino]propanoyl]amino]propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-methylaminohexanoyl]amino]-4-oxobutanoic acid"	""	"pBC 264|propionyl-BC264"	"CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)OS(=O)(=O)O)NC(=O)CC)NCC(=O)C(=O)N[C@H](C(=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCC)NC)CC(=O)O)Cc1ccccc1)Cc1c[nH]c2c1cccc2"	"VNNMDTHCFFZSSJ-HWQWZYBXSA-N"	"InChI=1S/C51H67N9O14S/c1-5-8-18-37(52-4)46(65)57-41(28-45(63)64)47(66)56-39(25-31-15-11-10-12-16-31)49(68)60-50(69)40(27-33-29-53-36-19-14-13-17-35(33)36)58-51(70)42(61)30-54-43(20-9-6-2)59-48(67)38(55-44(62)7-3)26-32-21-23-34(24-22-32)74-75(71,72)73/h10-17,19,21-24,29,37-41,43,52-54H,5-9,18,20,25-28,30H2,1-4H3,(H,55,62)(H,56,66)(H,57,65)(H,58,70)(H,59,67)(H,63,64)(H,60,68,69)(H,71,72,73)/t37-,38-,39-,40-,41-,43-/m0/s1"	""	""	""
"8356"	"PBD150"	""	"Synthetic organic"	""	""	""	""	"252166568"	"6539196"	""	""	"CHEMBL201747"	""	""	""	""	"3-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)thiourea"	""	"compound 53 [PMID 16420052]"	"COc1cc(ccc1OC)NC(=S)NCCCn1cncc1"	"FZQXMGLQANXZRP-UHFFFAOYSA-N"	"InChI=1S/C15H20N4O2S/c1-20-13-5-4-12(10-14(13)21-2)18-15(22)17-6-3-8-19-9-7-16-11-19/h4-5,7,9-11H,3,6,8H2,1-2H3,(H2,17,18,22)"	""	""	""
"10193"	"PBF-509"	""	"Synthetic organic"	""	""	""	""	"381118903"	"53466958"	""	""	"CHEMBL3638684"	""	""	""	""	"5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine"	""	"PBF509"	"Nc1nc(nc(c1Br)n1cccn1)n1cccn1"	"ATFXVNUWQOXRRU-UHFFFAOYSA-N"	"InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)"	"yes"	""	""
"13188"	"PBF-999"	""	"Synthetic organic"	""	""	""	""	"491299970"	"77107498"	""	""	"CHEMBL3942498"	""	""	""	""	"5-bromo-4-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)pyrimidine-4,6-diamine"	""	"example 42 [US9447095]|PBF999"	"BrC=1C(=NC(=NC1N)N2N=CN=C2)NCC#C"	"OQCWNHHZPYJHQR-UHFFFAOYSA-N"	"InChI=1S/C9H8BrN7/c1-2-3-13-8-6(10)7(11)15-9(16-8)17-5-12-4-14-17/h1,4-5H,3H2,(H3,11,13,15,16)"	""	""	""
"12819"	"PBI-4547"	""	"Synthetic organic"	""	""	""	""	"483123367"	"140700741"	""	""	""	""	""	""	""	"2-(3,5-dipentylphenyl)acetate"	""	"PBI4547"	"C(CCCC)C=1C=C(C=C(C1)CCCCC)CC(=O)[O-]"	"HFEDEAWUDQDOSS-UHFFFAOYSA-M"	"InChI=1S/C18H28O2/c1-3-5-7-9-15-11-16(10-8-6-4-2)13-17(12-15)14-18(19)20/h11-13H,3-10,14H2,1-2H3,(H,19,20)/p-1"	""	""	""
"13996"	"PBI-8192"	""	"Synthetic organic"	""	""	"yes"	""	"518520623"	"176516512"	""	""	""	""	""	""	""	""	""	""	"CCCC(=O)NCC1=CC=C(C=C1)C2=C(CCNC(C)=O)C3=C(N2)C=CC(OC)=N3"	"RRADITVFRKAJOL-UHFFFAOYSA-N"	"InChI=1S/C23H28N4O3/c1-4-5-20(29)25-14-16-6-8-17(9-7-16)22-18(12-13-24-15(2)28)23-19(26-22)10-11-21(27-23)30-3/h6-11,26H,4-5,12-14H2,1-3H3,(H,24,28)(H,25,29)"	""	""	""
"7026"	"PBIT"	""	"Synthetic organic"	""	""	""	""	"178103605"	"935415"	""	""	"CHEMBL1336959"	""	""	""	""	"2-(4-methylphenyl)-1,2-benzothiazol-3-one"	""	""	"Cc1ccc(cc1)n1sc2c(c1=O)cccc2"	"KRXMYBAZKJBJAB-UHFFFAOYSA-N"	"InChI=1S/C14H11NOS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3"	""	""	""
"6370"	"PBMC"	""	"Synthetic organic"	""	""	""	""	"178102988"	"73755215"	""	""	""	""	""	""	""	"[(1R)-1-phenylethyl] N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate"	""	""	"NCCN(C(=O)O[C@@H](c1ccccc1)C)Cc1ccc(c(c1)OC)OCc1ccccc1"	"URRBLVUOXIGNQR-HXUWFJFHSA-N"	"InChI=1S/C26H30N2O4/c1-20(23-11-7-4-8-12-23)32-26(29)28(16-15-27)18-22-13-14-24(25(17-22)30-2)31-19-21-9-5-3-6-10-21/h3-14,17,20H,15-16,18-19,27H2,1-2H3/t20-/m1/s1"	""	""	""
"1043"	"PBP10"	""	"Peptide"	""	""	""	""	"135652379"	"0"	""	""	""	""	""	""	""	""	""	"PBP 10"	""	""	""	""	""	""
"2525"	"Pb<sup>2+</sup>"	""	"Inorganic"	""	""	""	""	"53801055"	"73212"	""	""	""	""	""	""	""	""	""	"lead ion"	""	""	""	""	""	""
"11108"	"PBT2"	""	"Synthetic organic"	""	""	""	""	"434122168"	"10016012"	""	""	"CHEMBL3634131"	""	""	""	""	"5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol"	""	"PBT-1033|PBT-2|PBT1033"	"CN(Cc1ccc2c(n1)c(O)c(cc2Cl)Cl)C"	"YZPOQCQXOSEMAZ-UHFFFAOYSA-N"	"InChI=1S/C12H12Cl2N2O/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7/h3-5,17H,6H2,1-2H3"	""	""	""
"9755"	"PBT-3"	""	"Synthetic organic"	""	""	""	""	"354702228"	"10341876"	""	""	""	""	""	""	""	"methyl (5Z,8Z,10S,14Z)-11,12-dicyclopropyl-10-hydroxyicosa-5,8,14-trienoate"	""	""	"CCCCC/C=C\CC(C(C1CC1)[C@H](/C=C\C/C=C\CCCC(=O)OC)O)C1CC1"	"ODNVBPFEZJHAAU-OBNWJGEWSA-N"	"InChI=1S/C27H44O3/c1-3-4-5-6-9-12-15-24(22-18-19-22)27(23-20-21-23)25(28)16-13-10-7-8-11-14-17-26(29)30-2/h7-9,12-13,16,22-25,27-28H,3-6,10-11,14-15,17-21H2,1-2H3/b8-7-,12-9-,16-13-/t24?,25-,27?/m0/s1"	"yes"	""	""
"8519"	"PC-25"	""	"Synthetic organic"	""	""	""	""	"252166721"	"90677470"	""	""	"CHEMBL3259533"	""	""	""	""	"2-[2-[[5-[(4-bromophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine"	""	"traizine compound PC25"	"COc1ccc(cc1)Cn1c(NCCNC(=N)N)nc(=O)n(c1=O)Cc1ccc(cc1)Br"	"IRCKZEUJNJUYCC-UHFFFAOYSA-N"	"InChI=1S/C21H24BrN7O3/c1-32-17-8-4-15(5-9-17)12-28-19(26-11-10-25-18(23)24)27-20(30)29(21(28)31)13-14-2-6-16(22)7-3-14/h2-9H,10-13H2,1H3,(H4,23,24,25)(H,26,27,30)"	""	""	""
"6080"	"PCA 4248"	""	"Synthetic organic"	""	""	""	""	"178102701"	"4698"	""	""	"CHEMBL1395565"	""	""	""	""	"O5-methyl O3-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate"	""	"PCA-4248|PTEMC"	"COC(=O)C1=C(C)NC(=C(C1C)C(=O)OCCSc1ccccc1)C"	"DHCNAWNKZMNTIS-UHFFFAOYSA-N"	"InChI=1S/C19H23NO4S/c1-12-16(18(21)23-4)13(2)20-14(3)17(12)19(22)24-10-11-25-15-8-6-5-7-9-15/h5-9,12,20H,10-11H2,1-4H3"	"yes"	""	""
"12936"	"PCC0105003"	""	"Synthetic organic"	""	""	""	""	"485206057"	"169422745"	""	""	""	""	""	""	""	"N4-((1H-pyrazol-3-yl)methyl)-N2-(4-morpholinophenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine"	""	""	"FC(C1=CN=C(NC2=CC=C(N3CCOCC3)C=C2)N=C1NCC4=NNC=C4)(F)F"	"CRABOGIPRQVATE-UHFFFAOYSA-N"	"InChI=1S/C19H20F3N7O/c20-19(21,22)16-12-24-18(27-17(16)23-11-14-5-6-25-28-14)26-13-1-3-15(4-2-13)29-7-9-30-10-8-29/h1-6,12H,7-11H2,(H,25,28)(H2,23,24,26,27)"	""	""	""
"12937"	"PCC0208017"	""	"Synthetic organic"	""	""	""	""	"485206058"	"163321087"	""	""	""	""	""	""	""	"N4-((1H-pyrazol-3-yl)methyl)-N2-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine"	""	""	"CN1CCC2=C(C1)C=CC(=C2)NC3=NC=C(C(F)(F)F)C(NCC4=NNC=C4)=N3"	"PIESSZHWYCPHQD-UHFFFAOYSA-N"	"InChI=1S/C19H20F3N7/c1-29-7-5-12-8-14(3-2-13(12)11-29)26-18-24-10-16(19(20,21)22)17(27-18)23-9-15-4-6-25-28-15/h2-4,6,8,10H,5,7,9,11H2,1H3,(H,25,28)(H2,23,24,26,27)"	""	""	""
"3335"	"PCCG-4"	""	"Synthetic organic"	""	""	""	""	"178100366"	"5311344"	""	""	"CHEMBL39573"	""	""	""	""	"(1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-phenylcyclopropane-1-carboxylic acid"	""	"(2S,1'S,2'S,3?R)-2-(2'-carboxy-3'-phenylcyclopropyl)glycine"	"OC(=O)[C@H]([C@H]1[C@H]([C@@H]1C(=O)O)c1ccccc1)N"	"IFLWVSHRWAIVQF-KATARQTJSA-N"	"InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9+,10+/m1/s1"	""	""	""
"4592"	"p-chloroamphetamine"	""	"Synthetic organic"	""	""	""	""	"178101313"	"3127"	""	""	"CHEMBL358967"	""	""	""	""	"1-(4-chlorophenyl)propan-2-amine"	""	"para-chloroamphetamine"	"CC(Cc1ccc(cc1)Cl)N"	"WWPITPSIWMXDPE-UHFFFAOYSA-N"	"InChI=1S/C9H12ClN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3"	""	""	""
"11585"	"PCI-27483"	""	"Synthetic organic"	""	""	""	""	"442878619"	"135425273"	""	""	"CHEMBL4297315"	""	""	""	""	""	""	"Example 1 [WO2005118554A2]|PCI27483"	"O=C(N[C@H](C(=O)O)CC(=O)O)Cc1cc(c2nc3c([nH]2)cc(cc3)C(=N)N)c(c(c1)c1cc(ccc1O)S(=O)(=O)N)O"	"WDJHHCAKBRKCLW-IBGZPJMESA-N"	"InChI=1S/C26H24N6O9S/c27-24(28)12-1-3-17-18(8-12)32-25(31-17)16-6-11(7-21(34)30-19(26(38)39)10-22(35)36)5-15(23(16)37)14-9-13(42(29,40)41)2-4-20(14)33/h1-6,8-9,19,33,37H,7,10H2,(H3,27,28)(H,30,34)(H,31,32)(H,35,36)(H,38,39)(H2,29,40,41)/t19-/m0/s1"	""	""	""
"1773"	"pCMBS"	""	"Synthetic organic"	""	""	""	""	"135650790"	"11136"	""	""	""	""	""	""	""	"chloro-(4-sulfophenyl)mercury"	""	"p-Chloromercuribenzenesulfonate|para-Chloromercuriphenylsulfonate|pCMPS"	"Cl[Hg]c1ccc(cc1)S(=O)(=O)O"	"XXEBDPRHFAWOND-UHFFFAOYSA-M"	"InChI=1S/C6H5O3S.ClH.Hg/c7-10(8,9)6-4-2-1-3-5-6;;/h2-5H,(H,7,8,9);1H;/q;;+1/p-1"	""	""	""
"12788"	"PCO371"	""	"Synthetic organic"	""	""	""	""	"483123336"	"76283707"	""	""	"CHEMBL3976807"	""	""	""	""	"1-[3,5-dimethyl-4-[2-[[4-oxo-2-[4-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-5,5-dimethylimidazolidine-2,4-dione"	""	"compound 16c [PMID: 32022560]|PCO-371"	"O=C1NC(=NC12CCN(S(=O)(CCC3=C(C=C(N4C(NC(C4(C)C)=O)=O)C=C3C)C)=O)CC2)C5=CC=C(C=C5)OC(F)(F)F"	"LDZJFVOUPUFOHX-UHFFFAOYSA-N"	"InChI=1S/C29H32F3N5O6S/c1-17-15-20(37-26(40)34-24(38)27(37,3)4)16-18(2)22(17)9-14-44(41,42)36-12-10-28(11-13-36)25(39)33-23(35-28)19-5-7-21(8-6-19)43-29(30,31)32/h5-8,15-16H,9-14H2,1-4H3,(H,33,35,39)(H,34,38,40)"	""	""	""
"11499"	"PCS1055"	""	"Synthetic organic"	""	""	""	""	"440816867"	"10894911"	""	""	"CHEMBL88223"	""	""	""	""	""	""	"PCS-1055"	"c1ccc(cc1)CN1CCC(CC1)CCNc1nnc2c(c1)CCCc1c2cccc1"	"ATHZIFFSGSWIAU-UHFFFAOYSA-N"	"InChI=1S/C27H32N4/c1-2-7-22(8-3-1)20-31-17-14-21(15-18-31)13-16-28-26-19-24-11-6-10-23-9-4-5-12-25(23)27(24)30-29-26/h1-5,7-9,12,19,21H,6,10-11,13-18,20H2,(H,28,29)"	""	""	""
"9938"	"pCXCL8-1<sub>aa</sub>"	""	"Peptide"	""	""	""	""	"363894232"	"134611883"	""	""	""	""	""	""	""	""	""	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(=O)N)CCC(=O)O)C)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CCCCN)Cc1ccccc1)CC(C)C"	"WAKZDRBORDWUSJ-NXCVNOGKSA-N"	"InChI=1S/C53H88N16O17/c1-28(2)24-36(66-50(83)37(25-30-12-5-4-6-13-30)67-47(80)32(14-7-9-21-54)63-44(77)31(56)17-19-41(72)73)49(82)65-33(15-8-10-22-55)46(79)64-34(16-11-23-60-53(58)59)45(78)61-29(3)43(76)62-35(18-20-42(74)75)48(81)68-38(26-40(57)71)51(84)69-39(27-70)52(85)86/h4-6,12-13,28-29,31-39,70H,7-11,14-27,54-56H2,1-3H3,(H2,57,71)(H,61,78)(H,62,76)(H,63,77)(H,64,79)(H,65,82)(H,66,83)(H,67,80)(H,68,81)(H,69,84)(H,72,73)(H,74,75)(H,85,86)(H4,58,59,60)/t29-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1"	"yes"	""	""
"11498"	"PD 102807"	""	"Synthetic organic"	""	""	""	""	"440816866"	"4995951"	""	""	"CHEMBL59898"	""	""	""	""	"ethyl 17-methoxy-6-methyl-12-oxa-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate"	""	"LSM-1888|LSM1888|PD-102807|PD102807"	"CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC"	"VDDUJINYXKGZLV-UHFFFAOYSA-N"	"InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3"	""	""	""
"7676"	"PD-118057"	""	"Synthetic organic"	""	""	""	""	"223366011"	"9864959"	""	""	"CHEMBL521083"	""	""	""	""	"2-[[4-[2-(3,4-dichlorophenyl)ethyl]phenyl]amino]benzoic acid"	""	"PD 118057|PD118057"	"OC(=O)c1ccccc1Nc1ccc(cc1)CCc1ccc(c(c1)Cl)Cl"	"ZCQOSCDABPVAFB-UHFFFAOYSA-N"	"InChI=1S/C21H17Cl2NO2/c22-18-12-9-15(13-19(18)23)6-5-14-7-10-16(11-8-14)24-20-4-2-1-3-17(20)21(25)26/h1-4,7-13,24H,5-6H2,(H,25,26)"	""	""	""
"596"	"PD123177"	""	"Synthetic organic"	""	""	""	""	"135650791"	"114899"	""	""	"CHEMBL1188080"	""	""	""	""	"1-[(4-amino-3-methylphenyl)methyl]-5-[2,2-di(phenyl)acetyl]-6,7-dihydro-4H-imidazo[5,4-d]pyridine-6-carboxylic acid"	""	"PD 123177|PD-123177"	"OC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(c(c1)C)N"	"KLVDUSUYBDMJKR-UHFFFAOYSA-N"	"InChI=1S/C29H28N4O3/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36)"	""	""	""
"597"	"PD123319"	""	"Synthetic organic"	""	""	""	""	"135650792"	"5311345"	""	""	"CHEMBL321820"	""	""	""	""	"(6S)-1-[(4-dimethylamino-3-methylphenyl)methyl]-5-[2,2-di(phenyl)acetyl]-6,7-dihydro-4H-imidazo[5,4-d]pyridine-6-carboxylic acid"	""	"PD 123319|PD-123319"	"OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(c(c1)C)N(C)C"	"YSTVFDAKLDMYCR-NDEPHWFRSA-N"	"InChI=1S/C31H32N4O3/c1-21-16-22(14-15-26(21)33(2)3)18-34-20-32-25-19-35(28(31(37)38)17-27(25)34)30(36)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-16,20,28-29H,17-19H2,1-3H3,(H,37,38)/t28-/m0/s1"	""	""	""
"952"	"PD 128907"	""	"Synthetic organic"	""	""	""	""	"135650793"	"115107"	""	""	"CHEMBL97424"	""	""	""	""	"(4aS,10bS)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol"	""	"PD-128,907|PD128907"	"CCCN1CCO[C@@H]2[C@@H]1COc1c2cc(cc1)O"	"YOILXOMTHPUMRG-JSGCOSHPSA-N"	"InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1"	""	""	""
"882"	"PD-135158"	""	"Synthetic organic"	""	""	""	""	"135650794"	"122119"	""	""	""	""	""	""	""	"4-[[(1R)-2-[[(2R)-3-(2,3-dihydro-1H-indol-3-yl)-2-methyl-2-[[(1S,4S)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl]oxycarbonylamino]propanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid"	""	"CAM 1028|PD 135158"	"O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](CC1CNc2c1cccc2)(NC(=O)OC1C[C@H]2C([C@]1(C)CC2)(C)C)C)CCC(=O)O"	"VVGZQXYPBDZOLL-KROHXGCPSA-N"	"InChI=1S/C35H46N4O6/c1-33(2)24-16-17-34(33,3)28(18-24)45-32(44)39-35(4,19-23-20-36-26-13-9-8-12-25(23)26)31(43)37-21-27(22-10-6-5-7-11-22)38-29(40)14-15-30(41)42/h5-13,23-24,27-28,36H,14-21H2,1-4H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t23?,24-,27-,28?,34+,35+/m0/s1"	""	""	""
"903"	"PD-135666"	""	"Synthetic organic"	""	""	""	""	"135650795"	"9850711"	""	""	"CHEMBL138534"	""	""	""	""	"(3S)-3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-phenylbutanoic acid"	""	"PD 135666|PD135666"	"OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1"	"PGOLWKTUHWHYJS-SFMDGOMNSA-N"	"InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23?,24?,26-,30?,33+/m0/s1"	""	""	""
"867"	"PD136450"	""	"Synthetic organic"	""	""	""	""	"135650796"	"6439414"	""	""	""	""	""	""	""	"(E)-4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobut-2-enoic acid"	""	"CAM 1189|PD 136450|PD-136,450|PD-136450"	"O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)/C=C/C(=O)O"	"REMAMJQTIPBFTH-MYJPUEAFSA-N"	"InChI=1S/C35H40N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-12,19,21-22,24-25,29,32,36H,13-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/b12-11+/t21?,22?,24?,25?,29-,32?,35+/m0/s1"	""	""	""
"904"	"PD-140548"	""	"Synthetic organic"	""	""	""	""	"135650797"	"9915756"	""	""	"CHEMBL356898"	""	""	""	""	"(3R)-3-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-phenylbutanoic acid"	""	"PD 140548|PD-140,548|PD140548"	"OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1"	"PGOLWKTUHWHYJS-KUAXMQRVSA-N"	"InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23?,24?,26-,30?,33+/m1/s1"	""	""	""
"10731"	"PD-144418"	""	"Synthetic organic"	""	""	""	""	"405067324"	"9817231"	""	""	"CHEMBL4088272"	""	""	""	""	""	""	"PD144418"	"CCCN1CCC=C(C1)c1onc(c1)c1ccc(cc1)C"	"FOQRKFCLRMMKAT-UHFFFAOYSA-N"	"InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3"	""	""	""
"11390"	"PD-146176"	""	"Synthetic organic"	""	""	""	""	"440816759"	"297589"	""	""	"CHEMBL180917"	""	""	""	""	""	""	"PD 146176|PD146176"	"c1ccc2c(c1)SCc1c2[nH]c2c1cccc2"	"ZGOOPZVQMLHPFM-UHFFFAOYSA-N"	"InChI=1S/C15H11NS/c1-3-7-13-10(5-1)12-9-17-14-8-4-2-6-11(14)15(12)16-13/h1-8,16H,9H2"	""	""	""
"905"	"PD-149164"	""	"Synthetic organic"	""	""	""	""	"135650798"	"44457632"	""	""	""	""	""	""	""	"3-[(2S)-2-{[(adamantan-2-yloxy)carbonyl]amino}-2-(1H-indol-3-ylmethyl)propanamido]-4-(4-fluorophenyl)butanoic acid"	""	"PD 149164|PD149164"	"OC(=O)CC(NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccc(cc1)F"	"UZOOGOCMUARFDV-KEZCGYQASA-N"	"InChI=1S/C33H38FN3O5/c1-33(17-24-18-35-28-5-3-2-4-27(24)28,31(40)36-26(16-29(38)39)15-19-6-8-25(34)9-7-19)37-32(41)42-30-22-11-20-10-21(13-22)14-23(30)12-20/h2-9,18,20-23,26,30,35H,10-17H2,1H3,(H,36,40)(H,37,41)(H,38,39)/t20?,21?,22?,23?,26?,30?,33-/m0/s1"	""	""	""
"5766"	"PD 154740"	""	"Synthetic organic"	""	""	""	""	"178102391"	"190945"	""	""	""	""	""	""	""	"tert-butyl N-[(2S)-1-[[(2R)-2-(8-hydroxyoctylamino)-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate"	""	"PD-154740|PD154740"	"OCCCCCCCCN[C@@](C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)(Cc1ccccc1)C"	"LLSVPRQAIHTVBK-QVWWMRLHSA-N"	"InChI=1S/C32H47N3O5/c1-31(2,3)40-30(39)34-27(23-25-17-11-9-12-18-25)28(37)35-29(38)32(4,24-26-19-13-10-14-20-26)33-21-15-7-5-6-8-16-22-36/h9-14,17-20,27,33,36H,5-8,15-16,21-24H2,1-4H3,(H,34,39)(H,35,37,38)/t27-,32+/m0/s1"	""	""	""
"999"	"PD-156707"	""	"Synthetic organic"	""	""	""	""	"135650799"	"23670447"	""	""	"CHEMBL25438"	""	""	""	""	"sodium (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]but-2-enoate"	""	"PD 156707|PD156707"	"COc1ccc(cc1)C(=O)/C(=C(/c1ccc2c(c1)OCO2)\C(=O)[O-])/Cc1cc(OC)c(c(c1)OC)OC.[Na+]"	"ZLHQEGFYBMZQGM-RKVLWQGQSA-M"	"InChI=1S/C28H26O9.Na/c1-32-19-8-5-17(6-9-19)26(29)20(11-16-12-23(33-2)27(35-4)24(13-16)34-3)25(28(30)31)18-7-10-21-22(14-18)37-15-36-21;/h5-10,12-14H,11,15H2,1-4H3,(H,30,31);/q;+1/p-1/b25-20-;"	""	""	""
"2125"	"PD157672"	""	"Synthetic organic"	""	""	""	""	"135650800"	"5311350"	""	""	"CHEMBL444832"	""	""	""	""	"tert-butyl N-[(2S)-1-[[(2R)-1-[7-(carbamoylamino)heptylamino]-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate"	""	"PD 157672|PD-157672|PD157,672"	"NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C"	"BYVRLIUFCGUMSP-XYFQYJLHSA-N"	"InChI=1S/C32H47N5O5/c1-31(2,3)42-30(41)36-26(22-24-16-10-8-11-17-24)27(38)37-32(4,23-25-18-12-9-13-19-25)28(39)34-20-14-6-5-7-15-21-35-29(33)40/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3,(H,34,39)(H,36,41)(H,37,38)(H3,33,35,40)/t26-,32+/m0/s1"	""	""	""
"6015"	"PD 158780"	""	"Synthetic organic"	""	""	""	""	"178102637"	"4707"	""	""	"CHEMBL53753"	""	""	""	""	"4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine"	""	"AC1L1IRV|PD-158780|PD158780"	"CNc1ncc2c(c1)c(ncn2)Nc1cccc(c1)Br"	"KFHMLBXBRCITHF-UHFFFAOYSA-N"	"InChI=1S/C14H12BrN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,19,20)"	""	""	""
"8617"	"PD159790"	""	"Synthetic organic"	""	""	""	""	"252166818"	"9889954"	""	""	""	""	""	""	""	"N-(1-ethylpiperidin-3-yl)-6-iodo-2-(trifluoromethyl)quinazolin-4-amine"	""	"PD-159790"	"CCN1CCCC(C1)Nc1nc(nc2c1cc(I)cc2)C(F)(F)F"	"IRWWFCJIOHCTMV-UHFFFAOYSA-N"	"InChI=1S/C16H18F3IN4/c1-2-24-7-3-4-11(9-24)21-14-12-8-10(20)5-6-13(12)22-15(23-14)16(17,18)19/h5-6,8,11H,2-4,7,9H2,1H3,(H,21,22,23)"	""	""	""
"5767"	"PD 161182"	""	"Synthetic organic"	""	""	""	""	"178102392"	"10745164"	""	""	"CHEMBL44229"	""	""	""	""	"[(1S)-2-methyl-1-phenylpropyl] N-[(2S)-1-[7-(carbamoylamino)heptylamino]-3-(2,3-difluorophenyl)-2-methyl-1-oxopropan-2-yl]carbamate"	""	"CAM 5187|PD-161182|PD161182"	"NC(=O)NCCCCCCCNC(=O)[C@](Cc1cccc(c1F)F)(NC(=O)O[C@H](c1ccccc1)C(C)C)C"	"IWEYVTFOHKCWJN-SVEHJYQDSA-N"	"InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29-/m0/s1"	""	""	""
"3519"	"PD164333"	""	"Synthetic organic"	""	""	""	""	"53801049"	"10605470"	""	""	"CHEMBL2068816"	""	""	""	""	"(Z)-2-(1,3-benzodioxol-5-yl)-3-[[3-[4-[2-(4-hydroxy-3-iodophenyl)ethylamino]-4-oxobutoxy]-4,5-dimethoxyphenyl]methyl]-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid"	""	"PD 164333|PD-164333"	"COc1ccc(cc1)C(=O)/C(=C(/c1ccc2c(c1)OCO2)\C(=O)O)/Cc1cc(OCCCC(=O)NCCc2ccc(c(c2)I)O)c(c(c1)OC)OC"	"LKWYYULZSFFLFK-DKJXEYTPSA-N"	"InChI=1S/C39H38INO11/c1-47-27-10-7-25(8-11-27)37(44)28(36(39(45)46)26-9-13-31-32(21-26)52-22-51-31)17-24-19-33(48-2)38(49-3)34(20-24)50-16-4-5-35(43)41-15-14-23-6-12-30(42)29(40)18-23/h6-13,18-21,42H,4-5,14-17,22H2,1-3H3,(H,41,43)(H,45,46)/b36-28-"	""	""	""
"620"	"PD 165929"	""	"Synthetic organic"	""	""	""	""	"135650801"	"5311352"	""	""	"CHEMBL86828"	""	""	""	""	"(2S)-2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide"	""	"PD-165929|PD165929"	"O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C"	"RVCSRPVACXMJEL-BHVANESWSA-N"	"InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1"	""	""	""
"8183"	"PD166285"	""	"Synthetic organic"	""	""	""	""	"249565863"	"5311382"	""	""	"CHEMBL49120"	""	""	""	""	"6-(2,6-dichlorophenyl)-2-[[4-(2-diethylaminoethoxy)phenyl]amino]-8-methylpyrido[6,5-d]pyrimidin-7-one"	""	"PD-166285|PD0166285"	"CCN(CCOc1ccc(cc1)Nc1ncc2c(n1)n(C)c(=O)c(c2)c1c(Cl)cccc1Cl)CC"	"IFPPYSWJNWHOLQ-UHFFFAOYSA-N"	"InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31)"	""	""	""
"975"	"PD168,077"	""	"Synthetic organic"	""	""	""	""	"135650802"	"3645619"	""	""	"CHEMBL45244"	""	""	""	""	"N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide"	""	"PD 168077|PD-168,077|PD168077"	"N#Cc1ccccc1N1CCN(CC1)CNC(=O)c1cccc(c1)C"	"DNULYRGWTFLJQL-UHFFFAOYSA-N"	"InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)"	""	""	""
"621"	"PD 168368"	""	"Synthetic organic"	""	""	""	""	"135650803"	"9937534"	""	""	"CHEMBL329650"	""	""	""	""	"(2S)-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide"	""	"PD-168368|PD168368"	"O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-]"	"AFDXUTWMFMAQJO-PMERELPUSA-N"	"InChI=1S/C31H34N6O4/c1-30(19-22-20-33-26-10-4-3-9-25(22)26,36-29(39)35-23-12-14-24(15-13-23)37(40)41)28(38)34-21-31(16-6-2-7-17-31)27-11-5-8-18-32-27/h3-5,8-15,18,20,33H,2,6-7,16-17,19,21H2,1H3,(H,34,38)(H2,35,36,39)/t30-/m0/s1"	""	""	""
"6016"	"PD 169316"	""	"Synthetic organic"	""	""	""	""	"178102638"	"4712"	""	""	"CHEMBL17331"	""	""	""	""	"4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine"	""	"PD-169316|PD169316"	"Fc1ccc(cc1)c1nc([nH]c1c1ccncc1)c1ccc(cc1)[N+](=O)[O-]"	"BGIYKDUASORTBB-UHFFFAOYSA-N"	"InChI=1S/C20H13FN4O2/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27/h1-12H,(H,23,24)"	""	""	""
"5037"	"PD173074"	""	"Synthetic organic"	""	""	""	""	"178101733"	"1401"	""	""	"CHEMBL189584"	""	""	""	""	"3-tert-butyl-1-(2-{[4-(diethylamino)butyl]amino}-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea"	""	"PD 173074|PD-173074"	"CCN(CCCCNc1ncc2c(n1)nc(c(c2)c1cc(OC)cc(c1)OC)NC(=O)NC(C)(C)C)CC"	"DXCUKNQANPLTEJ-UHFFFAOYSA-N"	"InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)"	""	""	""
"5699"	"PD-173955"	""	"Synthetic organic"	""	""	""	""	"178102326"	"447077"	""	""	"CHEMBL386051"	""	""	""	""	"6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfanyl)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one"	""	"PD 173955|PD-0173955"	"CSc1cccc(c1)Nc1ncc2c(n1)n(C)c(=O)c(c2)c1c(Cl)cccc1Cl"	"VAARYSWULJUGST-UHFFFAOYSA-N"	"InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)"	""	""	""
"6017"	"PD 174265"	""	"Synthetic organic"	""	""	""	""	"178102639"	"4709"	""	""	"CHEMBL188762"	""	""	""	""	"N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide"	""	"4-aminoquinazoline, 2a|PD-174265"	"CCC(=O)Nc1ccc2c(c1)c(ncn2)Nc1cccc(c1)Br"	"WUPUZEMRHDROEO-UHFFFAOYSA-N"	"InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)"	""	""	""
"626"	"PD 176252"	""	"Synthetic organic"	""	""	""	""	"135650804"	"9829828"	""	""	"CHEMBL405908"	""	""	""	""	"(2S)-3-(1H-indol-3-yl)-N-[[1-(5-methoxypyridin-2-yl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide"	""	"PD-176252"	"COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C"	"NNFUWNLENRUDHR-HKBQPEDESA-N"	"InChI=1S/C32H36N6O5/c1-31(18-22-19-33-27-9-5-4-8-26(22)27,37-30(40)36-23-10-12-24(13-11-23)38(41)42)29(39)35-21-32(16-6-3-7-17-32)28-15-14-25(43-2)20-34-28/h4-5,8-15,19-20,33H,3,6-7,16-18,21H2,1-2H3,(H,35,39)(H2,36,37,40)/t31-/m0/s1"	""	""	""
"7677"	"PD-307243"	""	"Synthetic organic"	""	""	""	""	"223366012"	"54440733"	""	""	""	""	""	""	""	"2-[[2-(3,4-dichlorophenyl)-1,3-dihydroisoindol-5-yl]amino]pyridine-3-carboxylic acid"	""	"PD 307243|PD307243"	"OC(=O)c1cccnc1Nc1ccc2c(c1)CN(C2)c1ccc(c(c1)Cl)Cl"	"WNXIPCSWXVTKQF-UHFFFAOYSA-N"	"InChI=1S/C20H15Cl2N3O2/c21-17-6-5-15(9-18(17)22)25-10-12-3-4-14(8-13(12)11-25)24-19-16(20(26)27)2-1-7-23-19/h1-9H,10-11H2,(H,23,24)(H,26,27)"	""	""	""
"9445"	"PD81723"	""	"Synthetic organic"	""	""	""	""	"329968385"	"122028"	""	""	""	""	""	""	""	"(2-amino-4,5-dimethylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanone"	""	""	"Nc1sc(c(c1C(=O)c1cccc(c1)C(F)(F)F)C)C"	"KKDKAWKYGCUOGR-UHFFFAOYSA-N"	"InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3"	""	""	""
"5241"	"PD98059"	""	"Synthetic organic"	""	""	""	""	"178101925"	"4713"	""	""	"CHEMBL35482"	""	""	""	""	"2-(2-amino-3-methoxyphenyl)chromen-4-one"	""	"PD 98059|PD-98059"	"COc1cccc(c1N)c1cc(=O)c2c(o1)cccc2"	"QFWCYNPOPKQOKV-UHFFFAOYSA-N"	"InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3"	""	""	""
"10400"	"PDE4 inhibitor 16"	""	"Synthetic organic"	""	""	""	""	"384403679"	"138393292"	""	""	""	""	""	""	""	"(S)-6,7-Dimethoxy-1-(2-(6-methyl-1H-indol-3-yl)ethyl)-3,4-dihydroisoquinoline-2(1H)-carbaldehyde"	""	""	"O=CN1CCc2c([C@@H]1CCc1c[nH]c3c1ccc(c3)C)cc(c(c2)OC)OC"	"OIDQRHGTWLIKKZ-NRFANRHFSA-N"	"InChI=1S/C23H26N2O3/c1-15-4-6-18-17(13-24-20(18)10-15)5-7-21-19-12-23(28-3)22(27-2)11-16(19)8-9-25(21)14-26/h4,6,10-14,21,24H,5,7-9H2,1-3H3/t21-/m0/s1"	"yes"	""	""
"13832"	"PDEF(98-114)<sup>H105A</sup>"	""	"Peptide"	""	""	""	""	"513757517"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5042"	"PDGFA"	"Human"	"Peptide"	""	""	""	""	"178101737"	"0"	"P04085"	"ENSG00000197461"	""	""	""	""	""	""	""	"PDGF subunit A|PDGF-1|platelet-derived growth factor subunit A"	""	""	""	""	""	""
"5038"	"PDGF AA"	"Human"	"Peptide"	""	""	""	""	"178101734"	"0"	"P04085"	"ENSG00000197461"	""	"5042"	"PDGFA"	"P04085"	"ENSG00000197461"	""	""	"platelet-derived growth factor AA homodimer"	""	""	""	""	""	""
"5041"	"PDGF AB"	"Human"	"Peptide"	""	""	""	""	"178101736"	"0"	"P04085|P01127"	"ENSG00000197461|ENSG00000100311"	""	"5042|5043"	"PDGFA|PDGFB"	"P04085|P01127"	"ENSG00000197461|ENSG00000100311"	""	""	"platelet-derived growth factor AB heterodimer"	""	""	""	""	""	""
"5043"	"PDGFB"	"Human"	"Peptide"	""	""	""	""	"178101738"	"0"	"P01127"	"ENSG00000100311"	""	""	""	""	""	""	""	"PDGF subunit B|PDGF-2|platelet-derived growth factor B chain|platelet-derived growth factor subunit B"	""	""	""	""	""	""
"5039"	"PDGF BB"	"Human"	"Peptide"	"yes"	""	""	""	"178101735"	"0"	"P01127"	"ENSG00000100311"	"CHEMBL1201556"	"5043"	"PDGFB"	"P01127"	"ENSG00000100311"	""	"becaplermin"	"Gemesis&reg;|platelet-derived growth factor BB homodimer|Regranex&reg;|RWJ-60235"	""	""	""	""	""	""
"5323"	"PDGFD"	"Human"	"Peptide"	""	""	""	""	"53801008"	"0"	"Q9GZP0"	"ENSG00000170962"	""	""	""	""	""	""	""	"Iris-expressed growth factor (IEGF)|PDGF-D"	""	""	""	""	""	""
"6018"	"PDGF receptor tyrosine kinase inhibitor II"	""	"Synthetic organic"	""	""	""	""	"178102640"	"5330548"	""	""	"CHEMBL266325"	""	""	""	""	"2-[(1H-indol-2-yl)carbonyl]-1H-indol-5-yl butanoate"	""	"bis(1H-2-indolyl)methanone deriv. 52|D-65476"	"CCCC(=O)Oc1ccc2c(c1)cc([nH]2)C(=O)c1cc2c([nH]1)cccc2"	"CZDUJGOCEPWCNA-UHFFFAOYSA-N"	"InChI=1S/C21H18N2O3/c1-2-5-20(24)26-15-8-9-17-14(10-15)12-19(23-17)21(25)18-11-13-6-3-4-7-16(13)22-18/h3-4,6-12,22-23H,2,5H2,1H3"	""	""	""
"6019"	"PDGF receptor tyrosine kinase inhibitor III"	""	"Synthetic organic"	""	""	""	""	"178102641"	"10907042"	""	""	"CHEMBL102346"	""	""	""	""	"4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide"	""	""	"COc1cc2c(cc1OC)ncnc2N1CCN(CC1)C(=O)Nc1ccc(cc1)Oc1ccccc1"	"INTPTKHSGKBHHW-UHFFFAOYSA-N"	"InChI=1S/C27H27N5O4/c1-34-24-16-22-23(17-25(24)35-2)28-18-29-26(22)31-12-14-32(15-13-31)27(33)30-19-8-10-21(11-9-19)36-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,30,33)"	""	""	""
"6020"	"PDGF receptor tyrosine kinase inhibitor IV"	""	"Synthetic organic"	""	""	""	""	"178102642"	"9797370"	""	""	"CHEMBL120077"	""	""	""	""	"N-(3-fluorophenyl)-6,7-dimethoxy-1H,4H-indeno[1,2-c]pyrazol-3-amine"	""	"JNJ-10198409"	"COc1cc2c(cc1OC)Cc1c2[nH]nc1Nc1cccc(c1)F"	"ZDNURMVOKAERHZ-UHFFFAOYSA-N"	"InChI=1S/C18H16FN3O2/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)"	""	""	""
"6021"	"PDGF RTK inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102643"	"11554659"	""	""	"CHEMBL2218930"	""	""	""	""	"3-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-1-[(2-methylphenyl)carbonyl]thiourea"	""	"Ki 11502|PDGF Receptor Tyrosine Kinase Inhibitor V"	"COc1cc2nccc(c2cc1OC)Oc1ccc(cc1)NC(=S)NC(=O)c1ccccc1C"	"ZXGIBSBJQLLUEE-UHFFFAOYSA-N"	"InChI=1S/C26H23N3O4S/c1-16-6-4-5-7-19(16)25(30)29-26(34)28-17-8-10-18(11-9-17)33-22-12-13-27-21-15-24(32-3)23(31-2)14-20(21)22/h4-15H,1-3H3,(H2,28,29,30,34)"	""	""	""
"6022"	"PDK1/Akt/Flt dual pathway inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102644"	"5113385"	""	""	"CHEMBL599894"	""	""	""	""	"10,11,12,13,14,16-hexaazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one"	""	"AG-L-66494|GNF-Pf-3800"	"O=C1c2nn3nnnc3nc2c2c1cccc2"	"DPANHMGWPXVBQI-UHFFFAOYSA-N"	"InChI=1S/C10H4N6O/c17-9-6-4-2-1-3-5(6)7-8(9)13-16-10(11-7)12-14-15-16/h1-4H"	""	""	""
"13829"	"PD-L1 inhibitor D6 [PMID: 40153736]"	""	"Synthetic organic"	""	""	""	""	"507750462"	"172879842"	""	""	""	""	""	""	""	"(S)-2-Amino-1-(5-(2-chloro-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)phenyl)isoindolin-2-yl)propan-1-one"	""	""	"ClC1=C(C2=CC=3CN(C([C@H](C)N)=O)CC3C=C2)C=CC=C1C4=CC5=C(OCCO5)C=C4"	"GMFLJLKREFBXRA-HNNXBMFYSA-N"	"InChI=1S/C25H23ClN2O3/c1-15(27)25(29)28-13-18-6-5-16(11-19(18)14-28)20-3-2-4-21(24(20)26)17-7-8-22-23(12-17)31-10-9-30-22/h2-8,11-12,15H,9-10,13-14,27H2,1H3/t15-/m0/s1"	""	""	""
"13680"	"PD-L1/VISTA dual inhibitor P17"	""	"Synthetic organic"	""	""	""	""	"507750314"	"168868881"	""	""	""	""	""	""	""	"(2S)-3-hydroxy-2-[[6-methoxy-2-(2-methyl-3-phenylanilino)pyrimidin-4-yl]methylamino]propanoic acid"	""	"compound P17 [PMID: 39731560]"	"CC1=C(NC2=NC(OC)=CC(CN[C@@H](CO)C(O)=O)=N2)C=CC=C1C3=CC=CC=C3"	"QSHNMTVUJAVARU-IBGZPJMESA-N"	"InChI=1S/C22H24N4O4/c1-14-17(15-7-4-3-5-8-15)9-6-10-18(14)25-22-24-16(11-20(26-22)30-2)12-23-19(13-27)21(28)29/h3-11,19,23,27H,12-13H2,1-2H3,(H,28,29)(H,24,25,26)/t19-/m0/s1"	""	""	""
"13064"	"pebezertinib"	""	"Synthetic organic"	""	""	""	""	"491299846"	"163280903"	""	""	""	""	""	""	""	"N-[4-fluoro-3-[[2-[(1-methylpyrazol-4-yl)amino]-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenyl]prop-2-enamide"	"pebezertinib"	"BLU-451|BLU451|compound I [WO2023215431A1]|Example 37 [WO2022094354A1]|LNG-451|LNG451"	"CN1C=C(NC2=NC=C(C(NC3=C(F)C=CC(NC(=O)C=C)=C3)=N2)C4=CC=C(C=C4)C(F)(F)F)C=N1"	"XIMJCWSFLXXQMZ-UHFFFAOYSA-N"	"InChI=1S/C24H19F4N7O/c1-3-21(36)31-16-8-9-19(25)20(10-16)33-22-18(14-4-6-15(7-5-14)24(26,27)28)12-29-23(34-22)32-17-11-30-35(2)13-17/h3-13H,1H2,2H3,(H,31,36)(H2,29,32,33,34)"	""	""	""
"9782"	"pecazine"	""	"Synthetic organic"	"yes"	"yes"	""	""	"354702255"	"6075"	""	""	"CHEMBL395110"	""	""	""	""	"10-[(1-methylpiperidin-3-yl)methyl]phenothiazine"	"pecazine"	"mepazine|nothiazine|Pacatal&reg;"	"CN1CCCC(C1)CN1c2ccccc2Sc2c1cccc2"	"CBHCDHNUZWWAPP-UHFFFAOYSA-N"	"InChI=1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3"	"yes"	""	""
"13758"	"peceleganan"	""	"Peptide"	""	""	""	""	"507750391"	"162625099"	""	""	"CHEMBL5095140"	""	""	""	""	""	"peceleganan"	"PL-5|V<sub>681</sub>"	"CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCCN)NC(=O)C"	"IUYWAZJIRQDBEJ-XECNVCPKSA-N"	"InChI=1S/C138H226N36O34/c1-19-76(10)109(135(205)169-107(70-178)133(203)166-104(67-175)113(145)183)171-117(187)80(14)150-118(188)92(47-29-35-53-140)155-124(194)97(58-72(2)3)159-116(186)79(13)152-136(206)110(81(15)179)174-130(200)103(64-88-66-146-71-148-88)163-126(196)99(60-74(6)7)164-134(204)108(75(8)9)170-138(208)112(83(17)181)173-122(192)95(50-32-38-56-143)154-115(185)78(12)149-114(184)77(11)151-131(201)105(68-176)167-120(190)93(48-30-36-54-141)156-127(197)101(62-86-42-24-21-25-43-86)165-137(207)111(82(16)180)172-123(193)96(51-33-39-57-144)158-125(195)98(59-73(4)5)160-128(198)100(61-85-40-22-20-23-41-85)161-132(202)106(69-177)168-121(191)94(49-31-37-55-142)157-129(199)102(63-87-65-147-90-45-27-26-44-89(87)90)162-119(189)91(153-84(18)182)46-28-34-52-139/h20-27,40-45,65-66,71-83,91-112,147,175-181H,19,28-39,46-64,67-70,139-144H2,1-18H3,(H2,145,183)(H,146,148)(H,149,184)(H,150,188)(H,151,201)(H,152,206)(H,153,182)(H,154,185)(H,155,194)(H,156,197)(H,157,199)(H,158,195)(H,159,186)(H,160,198)(H,161,202)(H,162,189)(H,163,196)(H,164,204)(H,165,207)(H,166,203)(H,167,190)(H,168,191)(H,169,205)(H,170,208)(H,171,187)(H,172,193)(H,173,192)(H,174,200)/t76-,77-,78-,79-,80-,81+,82+,83+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-/m0/s1"	""	""	"yes"
"8315"	"peficitinib"	""	"Synthetic organic"	"yes"	""	""	""	"252166527"	"57928403"	""	""	"CHEMBL3137308"	""	""	""	""	"4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide"	"peficitinib"	"ASP015K|JNJ-54781532"	"NC(=O)c1cnc2c(c1NC1[C@@H]3CC4C[C@H]1CC(C3)(C4)O)cc[nH]2"	"DREIJXJRTLTGJC-JQCLMNFQSA-N"	"InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9?,10-,11+,14?,18?"	"yes"	""	""
"12411"	"pefloxacin"	""	"Synthetic organic"	"yes"	""	""	""	"479821202"	"51081"	""	""	"CHEMBL267648"	""	""	""	""	"1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid"	"pefloxacin"	"1589 RB|AM-725"	"CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O"	"FHFYDNQZQSQIAI-UHFFFAOYSA-N"	"InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)"	""	""	"yes"
"7928"	"PEG40-NMU"	""	"Peptide"	""	""	""	""	"249565611"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"6836"	"pegaptanib"	""	"Nucleic acid"	"yes"	"yes"	""	""	"178103442"	"0"	""	""	""	""	""	""	""	""	"pegaptanib"	"EYEOO1|Macugen&reg;|NX183|pegaptanib sodium"	""	""	""	""	""	""
"11609"	"pegcantratinib"	""	"Synthetic organic"	""	""	""	""	"442878643"	"132494168"	""	""	""	""	""	""	""	""	"pegcantratinib"	"CT-327|CT327|K-252a-PEG2K|Pegylated K-252|SNA-120|SNA120"	"COCCOCCN1C(=O)OC2(C1=O)CC1OC2(C)n2c3ccccc3c3c2c2n1c1ccccc1c2c1c3CNC1=O"	"MTDVEOMKVDOULD-UHFFFAOYSA-N"	"InChI=1S/C32H28N4O7/c1-31-32(29(38)34(30(39)43-32)11-12-41-14-13-40-2)15-22(42-31)35-20-9-5-3-7-17(20)24-25-19(16-33-28(25)37)23-18-8-4-6-10-21(18)36(31)27(23)26(24)35/h3-10,22H,11-16H2,1-2H3,(H,33,37)"	""	""	""
"13826"	"pegcetacoplan"	""	"Peptide"	"yes"	""	""	""	"507750459"	"0"	""	""	""	""	""	""	""	""	"pegcetacoplan"	"APL-2|Empaveli&reg;"	""	""	""	"yes"	""	""
"10472"	"pegdinetanib"	""	"Peptide"	""	""	""	""	"387271630"	"0"	""	""	""	""	""	""	""	""	"pegdinetanib"	"Angiocept&reg;|BMS-844203|BMS844203|CT-322|CT322"	""	""	""	""	""	""
"6969"	"pegfilgrastim"	""	"Peptide"	"yes"	""	""	""	"178103549"	"0"	""	""	"CHEMBL1201568"	""	""	""	""	""	"pegfilgrastim"	"Neulasta&reg;"	""	""	""	""	""	""
"7447"	"peginesatide"	""	"Peptide"	"yes"	""	""	""	"178104019"	"0"	""	""	"CHEMBL2107866"	""	""	""	""	""	"peginesatide"	"AF37702|Hematide&reg;|Omontys&reg;"	""	""	""	""	""	""
"7462"	"peginterferon alfa-2b"	""	"Peptide"	"yes"	""	""	""	"187051765"	"0"	""	""	"CHEMBL1201561"	""	""	""	""	""	"peginterferon alfa-2b"	"PegIntron&reg;|Sylatron&reg;"	""	""	""	"yes"	""	""
"7637"	"peginterferon beta-1a"	""	"Peptide"	"yes"	""	""	""	"223365972"	"0"	""	""	""	""	""	""	""	""	"peginterferon beta-1a"	"interferon beta 1-alpha|PEG-INF-&beta;-1a|Plegridy&reg;"	""	""	""	"yes"	""	""
"7463"	"pegloticase"	""	"Peptide"	"yes"	""	""	""	"187051766"	"0"	""	""	"CHEMBL1237025"	""	""	""	""	""	"pegloticase"	"Krystexxa&reg;|puricase"	""	""	""	""	""	""
"14733"	"pegnivacogin"	""	"Nucleic acid"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	"pegnivacogin"	"RB-006|RB006"	""	""	""	""	""	""
"14215"	"pegozafermin"	""	"Peptide"	""	""	""	""	"521588855"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"13532"	"pegpleranib"	""	"Nucleic acid"	""	""	""	""	"500839942"	"0"	""	""	"CHEMBL3301576"	""	""	""	""	""	"pegpleranib"	"E-01AJ|E-10030|E01AJ|E10030|Fovista&reg;|X-01E|X01E"	""	""	""	""	""	""
"7485"	"pegvisomant"	""	"Peptide"	"yes"	""	""	""	"187051788"	"0"	""	""	"CHEMBL1201515"	""	""	""	""	""	"pegvisomant"	"B2036-PEG|Somavert&reg;"	""	""	""	""	""	""
"9120"	"pelabresib"	""	"Synthetic organic"	""	""	""	""	"315661205"	"57389999"	""	""	""	""	""	""	""	"2-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide"	"pelabresib"	"compound 10 [PMID: 26815195]|CPI-0610|CPI0610"	"NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)cccc2"	"GCWIQUVXWZWCLE-INIZCTEOSA-N"	"InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1"	""	""	""
"13710"	"pelacarsen"	""	"Nucleic acid"	""	""	""	""	"507750344"	"0"	""	""	""	""	""	""	""	""	"pelacarsen"	"AKCEA-APO(a)-LRx|Ionis-apo(a)-lrx|ISIS 681257|ISIS-681257|TQJ-230|TQJ230"	""	""	""	""	""	""
"13069"	"pelcitoclax"	""	"Synthetic organic"	""	""	""	""	"491299851"	"76900653"	""	""	""	""	""	""	""	""	"pelcitoclax"	"APG-1252|APG1252|BM-1252"	"CC1=C(C(=C(N1C(C)C)C2=CC=C(C=C2)Cl)C3=CC(=CC(=C3)F)N4CCN(CC4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC(=C(C=C6)N[C@H](CCN7CCC(CC7)C(=O)OCCCP(=O)(O)O)CSC8=CC=CC=C8)S(=O)(=O)C(F)(F)F)S(=O)(=O)C"	"QIOCQCYXBYUYLH-YACUFSJGSA-N"	"InChI=1S/C57H66ClF4N6O11PS4/c1-38(2)68-39(3)55(82(4,73)74)53(54(68)40-11-13-43(58)14-12-40)42-33-44(59)35-48(34-42)67-29-27-66(28-30-67)47-17-15-45(16-18-47)64-84(77,78)50-19-20-51(52(36-50)83(75,76)57(60,61)62)63-46(37-81-49-9-6-5-7-10-49)23-26-65-24-21-41(22-25-65)56(69)79-31-8-32-80(70,71)72/h5-7,9-20,33-36,38,41,46,63-64H,8,21-32,37H2,1-4H3,(H2,70,71,72)/t46-/m1/s1"	""	""	""
"14362"	"pelerasertib"	""	"Synthetic organic"	""	""	""	""	"523352154"	"165385717"	""	""	"CHEMBL6043794"	""	""	""	""	"4-[[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol"	"pelerasertib"	"example 124 [US11578061B2]"	"C[C@@H]1CN(C[C@@H](O1)C)C2=CC=C(C=C2)NC3=NC=C(C(=N3)OCC4CCC(CC4)O)F"	"FXFDJIOOCZGIJY-HLVUACMISA-N"	"InChI=1S/C23H31FN4O3/c1-15-12-28(13-16(2)31-15)19-7-5-18(6-8-19)26-23-25-11-21(24)22(27-23)30-14-17-3-9-20(29)10-4-17/h5-8,11,15-17,20,29H,3-4,9-10,12-14H2,1-2H3,(H,25,26,27)/t15-,16+,17?,20?"	"yes"	""	""
"7644"	"pelitinib"	""	"Synthetic organic"	""	""	""	""	"223365979"	"6445562"	""	""	"CHEMBL607707"	""	""	""	""	"(E)-N-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-dimethylaminobut-2-enamide"	"pelitinib"	"EKB-569"	"CCOc1cc2ncc(c(c2cc1NC(=O)/C=C/CN(C)C)Nc1ccc(c(c1)Cl)F)C#N"	"WVUNYSQLFKLYNI-AATRIKPKSA-N"	"InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+"	""	""	""
"9876"	"pelubiprofen"	""	"Synthetic organic"	""	""	""	""	"363894170"	"5282203"	""	""	"CHEMBL69308"	""	""	""	""	"2-[4-[(E)-(2-oxocyclohexylidene)methyl]phenyl]propanoic acid"	"pelubiprofen"	"compound 13b [PMID: 6607354]|CS-670|DW-330SR|DW330SR|RS-2131"	"OC(=O)C(c1ccc(cc1)/C=C/1\CCCCC1=O)C"	"AUZUGWXLBGZUPP-GXDHUFHOSA-N"	"InChI=1S/C16H18O3/c1-11(16(18)19)13-8-6-12(7-9-13)10-14-4-2-3-5-15(14)17/h6-11H,2-5H2,1H3,(H,18,19)/b14-10+"	"yes"	""	""
"7499"	"pembrolizumab"	""	"Antibody"	"yes"	""	""	""	"187051801"	"0"	""	""	""	""	""	""	""	""	"pembrolizumab"	"Keytruda Qlex&reg; (pembrolizumab + berahyaluronidase alfa-pmph; for subcutaneous injection)|Keytruda&reg;|lambrolizumab|MK-3475"	""	""	""	"yes"	""	""
"6837"	"pemetrexed"	""	"Synthetic organic"	"yes"	""	""	""	"178103443"	"135565230"	""	""	"CHEMBL1201258"	""	""	""	""	"(2R)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[4,5-e]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid"	"pemetrexed"	"Alimta&reg;|LY-231514"	"OC(=O)CC[C@H](C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)nc([nH]2)N"	"WBXPDJSOTKVWSJ-CYBMUJFWSA-N"	"InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m1/s1"	""	""	""
"9767"	"pemigatinib"	""	"Synthetic organic"	"yes"	""	""	""	"354702240"	"86705695"	""	""	""	""	""	""	""	"3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-4,7-dihydropyrrolo[4,5]pyrido[1,2-d]pyrimidin-2-one"	"pemigatinib"	"example 126 [WO2014007951]|INCB 54828|INCB-54828|INCB054828|INCB54828|Pemazyre&reg;"	"CCN1C(=O)N(Cc2c1c1cc([nH]c1nc2)CN1CCOCC1)c1c(F)c(OC)cc(c1F)OC"	"HCDMJFOHIXMBOV-UHFFFAOYSA-N"	"InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)"	""	""	""
"7329"	"pemirolast"	""	"Synthetic organic"	"yes"	""	""	""	"178103901"	"57697"	""	""	"CHEMBL1201198"	""	""	""	""	"9-methyl-3-(2H-1,2,3,4-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one"	"pemirolast"	"Alamast&reg;|Alegysal&reg;|BMY-26517"	"Cc1cccn2c1ncc(c2=O)c1n[nH]nn1"	"HIANJWSAHKJQTH-UHFFFAOYSA-N"	"InChI=1S/C10H8N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15)"	""	""	""
"13679"	"pemrametostat"	""	"Synthetic organic"	""	""	""	""	"507750313"	"90241742"	""	""	"CHEMBL4466233"	""	""	""	""	"6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide"	"pemrametostat"	"EPZ015938|GSK-3326595|GSK3326595"	"CC(=O)N1CCC(CC1)NC2=NC=NC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O"	"JLCCNYVTIWRPIZ-NRFANRHFSA-N"	"InChI=1S/C24H32N6O3/c1-17(31)30-10-7-20(8-11-30)28-23-12-22(26-16-27-23)24(33)25-13-21(32)15-29-9-6-18-4-2-3-5-19(18)14-29/h2-5,12,16,20-21,32H,6-11,13-15H2,1H3,(H,25,33)(H,26,27,28)/t21-/m0/s1"	""	""	""
"8031"	"pemtumomab"	""	"Antibody"	""	""	""	""	"249565711"	"0"	""	""	""	""	""	""	""	""	""	"HMFG1|HuHMFG-1"	""	""	""	""	""	""
"9139"	"PEN"	"Mouse"	"Peptide"	""	""	""	""	"315661224"	"155817507"	"Q91W26"	"ENSMUSG00000039278"	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)O)C(C)C"	"FQPFUCOMMICWOE-CPPASMBOSA-N"	"InChI=1S/C102H169N27O34/c1-46(2)36-60(117-93(154)65(41-76(139)140)120-86(147)57(26-29-70(104)131)113-92(153)66(42-77(141)142)122-97(158)78(50(9)10)123-83(144)55(103)45-130)85(146)110-44-73(134)127-33-19-23-67(127)95(156)115-59(28-31-75(137)138)89(150)125-80(52(13)14)100(161)129-35-21-25-69(129)99(160)128-34-20-24-68(128)96(157)114-58(27-30-74(135)136)87(148)119-64(40-71(105)132)94(155)124-79(51(11)12)98(159)121-61(37-47(3)4)84(145)109-43-72(133)111-54(17)82(143)116-62(38-48(5)6)91(152)118-63(39-49(7)8)90(151)112-56(22-18-32-108-102(106)107)88(149)126-81(53(15)16)101(162)163/h46-69,78-81,130H,18-45,103H2,1-17H3,(H2,104,131)(H2,105,132)(H,109,145)(H,110,146)(H,111,133)(H,112,151)(H,113,153)(H,114,157)(H,115,156)(H,116,143)(H,117,154)(H,118,152)(H,119,148)(H,120,147)(H,121,159)(H,122,158)(H,123,144)(H,124,155)(H,125,150)(H,126,149)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H,162,163)(H4,106,107,108)/t54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,78-,79-,80-,81-/m0/s1"	""	""	""
"9140"	"PEN"	"Rat"	"Peptide"	""	""	""	""	"315661225"	"0"	"Q9QXU9"	"ENSRNOG00000046021"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"12808"	"penamecillin"	""	"Synthetic organic"	"yes"	""	""	""	"483123356"	"10250769"	""	""	"CHEMBL2106988"	""	""	""	""	"acetyloxymethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate"	"penamecillin"	"Havapen&reg;|WY-20788"	"CC(=O)OCOC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)(C)C"	"NLOOMWLTUVBWAW-HLLBOEOZSA-N"	"InChI=1S/C19H22N2O6S/c1-11(22)26-10-27-18(25)15-19(2,3)28-17-14(16(24)21(15)17)20-13(23)9-12-7-5-4-6-8-12/h4-8,14-15,17H,9-10H2,1-3H3,(H,20,23)/t14-,15+,17-/m1/s1"	""	""	"yes"
"7263"	"penbutolol"	""	"Synthetic organic"	"yes"	""	""	""	"178103837"	"37464"	""	""	"CHEMBL1290"	""	""	""	""	"tert-butyl[(2S)-3-(2-cyclopentylphenoxy)-2-hydroxypropyl]amine"	"penbutolol"	"HOE-39-893d|HOE-893d|Levatol&reg;"	"O[C@H](COc1ccccc1C1CCCC1)CNC(C)(C)C"	"KQXKVJAGOJTNJS-HNNXBMFYSA-N"	"InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1"	""	""	""
"378"	"PENECA"	""	"Synthetic organic"	""	""	""	""	"135650805"	"9953255"	""	""	"CHEMBL223270"	""	""	""	""	"(2S,3S,4R,5R)-5-[6-amino-2-(2-phenylethynyl)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide"	""	"2-phenylethynyl-NECA|2-phenylethynylNECA"	"CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(C#Cc1ccccc1)nc2N"	"SWXXHYTUMIMRFO-KSVNGYGVSA-N"	"InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/t14-,15+,16-,20+/m0/s1"	""	""	""
"7264"	"penicillamine"	""	"Synthetic organic"	"yes"	""	""	""	"178103838"	"5852"	""	""	"CHEMBL1430"	""	""	""	""	"(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid"	"penicillamine"	"Cuprimine&reg;"	"N[C@H](C(S)(C)C)C(=O)O"	"VVNCNSJFMMFHPL-VKHMYHEASA-N"	"InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1"	"yes"	""	""
"4796"	"penicillin G"	""	"Natural product"	"yes"	""	""	""	"178101498"	"5904"	""	""	"CHEMBL29"	""	""	""	""	"(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"benethamine penicillin|benzathine benzylpenicillin|benzylpenicillin|clemizole penicillin|phenyracillin"	"benzylpenicillin|penicillin G sodium|penicillin-G potassium"	"O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C"	"JGSARLDLIJGVTE-MBNYWOFBSA-N"	"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1"	""	""	"yes"
"14027"	"Penitrem A"	""	"Natural product"	""	""	""	""	"518520654"	"6610243"	""	""	"CHEMBL2374089"	""	""	""	""	""	""	""	"CC(=C)[C@@H]1[C@@H]([C@@H]2[C@@]3(O2)[C@@H](O1)CC[C@]4([C@]3(CC[C@@H]5[C@@]4(C6=C7[C@H]5OC([C@H]8C[C@H]9[C@@]8(C%10=C7C(=CC(=C%10CC9=C)Cl)N6)O)(C)C)C)O)C)O"	"JDUWHZOLEDOQSR-JKPSMKLGSA-N"	"InChI=1S/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/m0/s1"	""	""	""
"12347"	"penpulimab"	""	"Antibody"	"yes"	""	""	""	"479821138"	"0"	""	""	""	""	""	""	""	""	"penpulimab"	"AK-105|AK105|Aniko&reg;|penpulimab-kcqx"	""	""	""	"yes"	""	""
"2160"	"[Pen<sup>5</sup>]U-(4-11) (human)"	""	"Peptide"	""	""	""	""	"135652380"	"0"	""	""	""	""	""	""	""	""	""	"human [Pen5]-urotensin (4-11)"	""	""	""	""	""	""
"12535"	"pentafluoro-trityl clotrimazole analogue 29a"	""	"Synthetic organic"	""	""	""	""	"479821325"	"167993651"	""	""	""	""	""	""	""	"1-[(2,3,4,5,6-pentafluorophenyl)diphenylmethyl]-1H-imidazole"	""	""	"FC1=C(F)C(F)=C(C(F)=C1F)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4"	"IXZCSHNAKAZHCC-UHFFFAOYSA-N"	"InChI=1S/C22H13F5N2/c23-17-16(18(24)20(26)21(27)19(17)25)22(29-12-11-28-13-29,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H"	""	""	""
"870"	"pentagastrin"	""	"Peptide"	"yes"	""	""	""	"135652381"	"444007"	""	""	""	""	""	""	""	"(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-(2-methylpropoxycarbonylamino)propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid"	"pentagastrin"	"AY-6608|ICI-50123|Peptavlon&reg;"	"CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CCNC(=O)OCC(C)C"	"ALXRNCVIQSDJAO-KRCBVYEFSA-N"	"InChI=1S/C37H49N7O9S/c1-22(2)21-53-37(52)39-15-13-31(45)41-29(18-24-20-40-26-12-8-7-11-25(24)26)35(50)42-27(14-16-54-3)34(49)44-30(19-32(46)47)36(51)43-28(33(38)48)17-23-9-5-4-6-10-23/h4-12,20,22,27-30,40H,13-19,21H2,1-3H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t27-,28-,29-,30-/m0/s1"	""	""	""
"1061"	"pentanoic acid"	""	"Metabolite"	""	""	""	""	"135651537"	"7991"	""	""	"CHEMBL268736"	""	""	""	""	"Pentanoic acid"	""	"n-pentanoic acid|N-valeric acid|pentanoate|valeric acid"	"CCCCC(=O)O"	"NQPDZGIKBAWPEJ-UHFFFAOYSA-N"	"InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)"	""	""	""
"1606"	"(-)-pentazocine"	""	"Synthetic organic"	"yes"	""	""	""	"135650806"	"441278"	""	""	"CHEMBL560"	""	""	""	""	""	"pentazocine"	"pentazocine|WIN-20228"	"CC(=CCN1CC[C@@]2([C@H]([C@H]1Cc1c2cc(cc1)O)C)C)C"	"VOKSWYLNZZRQPF-GDIGMMSISA-N"	"InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1"	""	""	""
"5480"	"pentobarbitone"	""	"Synthetic organic"	"yes"	""	""	""	"178102127"	"4737"	""	""	"CHEMBL448"	""	""	""	""	"5-ethyl-5-(pentan-2-yl)-1,3-diazinane-2,4,6-trione"	"pentobarbital"	"(&plusmn;)-pentobarbital|(RS)-pentobarbital|Nembutal&reg;|NSC 28708|pentobarbital sodium|pentobarbituric acid"	"CCCC(C1(CC)C(=O)NC(=O)NC1=O)C"	"WEXRUCMBJFQVBZ-UHFFFAOYSA-N"	"InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)"	""	""	""
"4805"	"pentostatin"	""	"Synthetic organic"	"yes"	""	""	""	"178101507"	"439693"	""	""	"CHEMBL1580"	""	""	""	""	"(8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H,4H,7H,8H-imidazo[4,5-d][1,3]diazepin-8-ol"	"pentostatin"	"2'-deoxycoformycin|deoxycoformycin|Nipent&reg;"	"OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1NC=NC[C@H]2O"	"FPVKHBSQESCIEP-JQCXWYLXSA-N"	"InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1"	""	""	""
"7095"	"pentoxifylline"	""	"Synthetic organic"	"yes"	""	""	""	"178103673"	"4740"	""	""	"CHEMBL628"	""	""	""	""	"3,7-dimethyl-1-(5-oxohexyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione"	"pentoxifylline"	"BL-191|Trental&reg;"	"CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C"	"BYPFEZZEUUWMEJ-UHFFFAOYSA-N"	"InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3"	""	""	""
"304"	"pentylthio-TZTP"	""	"Synthetic organic"	""	""	""	""	"135650807"	"10062394"	""	""	"CHEMBL130715"	""	""	""	""	"1-methyl-3-(4-pentylsulfanyl-1,2,5-thiadiazol-3-yl)-5,6-dihydro-2H-pyridine"	""	""	"CCCCCSc1nsnc1C1=CCCN(C1)C"	"LRTWCQHCJKYNPS-UHFFFAOYSA-N"	"InChI=1S/C13H21N3S2/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3"	""	""	""
"9188"	"pepcan-12"	""	"Peptide"	""	""	""	""	"315661267"	"90488874"	""	""	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O"	"CSDQEWILNKOWRN-WSDCEOHFSA-N"	"InChI=1S/C65H105N19O17/c1-33(2)24-41(55(91)76-42(25-34(3)4)56(92)81-47(31-85)59(95)80-46(64(100)101)27-38-30-71-32-73-38)75-54(90)40(19-12-13-21-66)74-57(93)43(26-37-16-10-9-11-17-37)77-58(94)44(28-49(68)86)78-61(97)52(36(7)8)83-60(96)48-20-15-23-84(48)63(99)45(29-50(87)88)79-62(98)51(35(5)6)82-53(89)39(67)18-14-22-72-65(69)70/h9-11,16-17,30,32-36,39-48,51-52,85H,12-15,18-29,31,66-67H2,1-8H3,(H2,68,86)(H,71,73)(H,74,93)(H,75,90)(H,76,91)(H,77,94)(H,78,97)(H,79,98)(H,80,95)(H,81,92)(H,82,89)(H,83,96)(H,87,88)(H,100,101)(H4,69,70,72)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-/m0/s1"	""	""	""
"8932"	"pepinemab"	""	"Antibody"	""	""	""	""	"310264713"	"0"	""	""	""	""	""	""	""	""	"pepinemab"	"mAb 62-7|VX15/2503"	""	""	""	""	""	""
"9766"	"peposertib"	""	"Synthetic organic"	""	""	""	""	"354702239"	"86292849"	""	""	""	""	""	""	""	"(S)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol"	"peposertib"	"example 136 [WO2014183850]|M3814|MSC2490484A|nedisertib (deleted INN)"	"COc1ccc(nn1)[C@H](c1cc(c(cc1Cl)F)c1ncnc2c1ccc(c2)N1CCOCC1)O"	"MOWXJLUYGFNTAL-DEOSSOPVSA-N"	"InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1"	""	""	""
"12333"	"peptide 14 [PMID: 36580549]"	""	"Peptide"	""	""	""	""	"479821124"	"167993634"	""	""	""	""	""	""	""	""	""	""	"O=C1N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@H](C(=O)N[C@H]1[C@@H](C)O)CCC(=O)N)CC(=O)O)C)Cc1ccccc1)Cc1cnc[nH]1"	"XRFRKHKXUPWIIL-HAOGKZSMSA-N"	"InChI=1S/C108H173N31O36/c1-15-50(6)79-99(167)123-62(27-21-37-115-108(112)113)89(157)130-78(49(4)5)98(166)136-82(54(10)142)101(169)124-65(31-34-73(111)148)106(174)138-38-22-28-70(138)96(164)117-45-74(149)120-63(30-33-72(110)147)91(159)132-81(53(9)141)102(170)128-68(42-60-44-114-47-118-60)94(162)126-66(40-48(2)3)93(161)121-64(32-35-76(151)152)92(160)134-85(57(13)145)105(173)137-83(55(11)143)103(171)127-67(41-59-24-17-16-18-25-59)95(163)135-80(52(8)140)100(168)119-51(7)87(155)125-69(43-77(153)154)88(156)116-46-75(150)129-86(58(14)146)107(175)139-39-23-29-71(139)97(165)122-61(26-19-20-36-109)90(158)133-84(56(12)144)104(172)131-79/h16-18,24-25,44,47-58,61-71,78-86,140-146H,15,19-23,26-43,45-46,109H2,1-14H3,(H2,110,147)(H2,111,148)(H,114,118)(H,116,156)(H,117,164)(H,119,168)(H,120,149)(H,121,161)(H,122,165)(H,123,167)(H,124,169)(H,125,155)(H,126,162)(H,127,171)(H,128,170)(H,129,150)(H,130,157)(H,131,172)(H,132,159)(H,133,158)(H,134,160)(H,135,163)(H,136,166)(H,137,173)(H,151,152)(H,153,154)(H4,112,113,115)/t50-,51-,52+,53+,54+,55+,56+,57+,58+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70+,71-,78-,79-,80-,81-,82-,83-,84-,85-,86-/m0/s1"	""	""	""
"8658"	"peptide 18 [PMID: 24350995]"	""	"Synthetic organic"	""	""	""	""	"252166858"	"75593419"	""	""	"CHEMBL3115771"	""	""	""	""	"(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-6-amino-N-[(4-carbamimidoylphenyl)methyl]hexanamide"	""	"Ac-LLLLRVK-Amba"	"NCCCC[C@@H](C(=O)NCc1ccc(cc1)C(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CCCN=C(N)N"	"UFNWIBYSOUCSGW-FVMQRRFMSA-N"	"InChI=1S/C51H90N14O8/c1-28(2)23-38(59-33(11)66)46(69)62-40(25-30(5)6)48(71)64-41(26-31(7)8)49(72)63-39(24-29(3)4)47(70)60-37(16-14-22-57-51(55)56)45(68)65-42(32(9)10)50(73)61-36(15-12-13-21-52)44(67)58-27-34-17-19-35(20-18-34)43(53)54/h17-20,28-32,36-42H,12-16,21-27,52H2,1-11H3,(H3,53,54)(H,58,67)(H,59,66)(H,60,70)(H,61,73)(H,62,69)(H,63,72)(H,64,71)(H,65,68)(H4,55,56,57)/t36-,37-,38-,39-,40-,41-,42-/m0/s1"	""	""	""
"10594"	"peptide 1 [PMID: 31774287]"	""	"Synthetic organic"	""	""	""	""	"404859041"	"138744511"	""	""	""	""	""	""	""	"(4R,7S,10S,13R,16S)-1-[[(2S)-2-aminopropanoyl]amino]-13-benzyl-4,10-bis(1H-indol-3-ylmethyl)-7-methyl-2,5,8,11,14-pentaoxo-21-prop-2-enyl-1,3,6,9,12,15,21-heptazacyclopentacos-23-yne-16-carboxamide"	""	""	"C=CCN1CCCC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)N(CC#CC1)NC(=O)[C@@H](N)C)Cc1c[nH]c2c1cccc2)C)Cc1c[nH]c2c1cccc2)C(=O)N"	"OBMZMSLWNNWEJA-XNCRXQDQSA-N"	"InChI=1S/C51H62N12O7/c1-4-23-62-24-13-12-22-41(45(53)64)57-49(68)42(27-34-16-6-5-7-17-34)59-50(69)43(28-35-30-54-39-20-10-8-18-37(35)39)58-47(66)33(3)56-48(67)44(29-36-31-55-40-21-11-9-19-38(36)40)60-51(70)63(26-15-14-25-62)61-46(65)32(2)52/h4-11,16-21,30-33,41-44,54-55H,1,12-13,22-29,52H2,2-3H3,(H2,53,64)(H,56,67)(H,57,68)(H,58,66)(H,59,69)(H,60,70)(H,61,65)/t32-,33-,41-,42+,43-,44+/m0/s1"	"yes"	""	""
"12063"	"peptide 22d"	""	"Synthetic organic"	""	""	""	""	"472319185"	"165368928"	""	""	""	""	""	""	""	""	""	""	"OC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@@H](Cc3nnn[nH]3)C(=O)N)CCC2)CSCCc2ccccc2OCCCC(=O)N1)Cc1c[nH]c2c1cccc2)[C@@H](C)CC"	"CPNJMMBLVDNJTP-GQUKTMJCSA-N"	"InChI=1S/C44H58N12O9S/c1-3-25(2)38-43(63)49-31(20-27-22-46-29-12-6-5-11-28(27)29)40(60)50-33(44(64)56-17-8-13-34(56)42(62)48-30(39(45)59)21-36-52-54-55-53-36)24-66-19-16-26-10-4-7-14-35(26)65-18-9-15-37(58)47-32(23-57)41(61)51-38/h4-7,10-12,14,22,25,30-34,38,46,57H,3,8-9,13,15-21,23-24H2,1-2H3,(H2,45,59)(H,47,58)(H,48,62)(H,49,63)(H,50,60)(H,51,61)(H,52,53,54,55)/t25-,30-,31-,32-,33-,34-,38-/m0/s1"	""	""	""
"4012"	"peptide 234"	""	"Peptide"	""	""	""	""	"178100838"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9253"	"peptide 30 [PMID: 27019010]"	""	"Peptide"	""	""	""	""	"315661328"	"11750118"	""	""	""	""	""	""	""	"methyl (2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate"	""	""	"NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)OC)CC(C)C)Cc1ccccc1"	"CSHFHJNMIMPJST-HOTGVXAUSA-N"	"InChI=1S/C20H30N4O5/c1-13(2)9-16(20(28)29-3)24-19(27)15(10-14-7-5-4-6-8-14)23-18(26)12-22-17(25)11-21/h4-8,13,15-16H,9-12,21H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)/t15-,16-/m0/s1"	"yes"	""	""
"8582"	"peptide 4 [PMID: 18294843]"	""	"Synthetic organic"	""	""	""	""	"252166783"	"44450050"	""	""	"CHEMBL263633"	""	""	""	""	"(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]prop-2-enoylamino]-3-methylbutanoyl]amino]propanoic acid"	""	""	"NC(=NCCC[C@@H](C(=O)N[C@H](C(=O)NC(=C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C(C)C)C)N)N"	"VZQHRKZCAZCACO-PYJNHQTQSA-N"	"InChI=1S/C20H36N8O6/c1-9(2)14(18(32)27-12(5)19(33)34)28-16(30)11(4)25-15(29)10(3)26-17(31)13(21)7-6-8-24-20(22)23/h9-10,12-14H,4,6-8,21H2,1-3,5H3,(H,25,29)(H,26,31)(H,27,32)(H,28,30)(H,33,34)(H4,22,23,24)/t10-,12-,13-,14-/m0/s1"	""	""	""
"10588"	"peptide 5A"	""	"Peptide"	""	""	""	""	"404859035"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9588"	"Peptide 5 [PMID: 28562585]"	""	"Peptide"	""	""	""	""	"340590219"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9220"	"peptide Cp40 [PMID: 25982307]"	""	"Peptide"	""	""	""	""	"315661296"	"0"	""	""	""	""	""	""	""	""	""	"peptide 14"	""	""	""	"yes"	""	""
"1696"	"peptide III-BTD"	""	"Peptide"	""	""	""	""	"135652382"	"5311338"	""	""	""	""	""	""	""	"(3S,6R)-6-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-cyclohexylpropanoyl]amino]-N-[(2R)-1-[[(2R)-1-amino-3-(4-chlorophenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[2,3-f]pyridine-3-carboxamide"	""	""	"CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1CCC2N(C1=O)[C@H](CS2)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N)Cc1ccc(cc1)Cl)CCCN=C(N)N)CC1CCCCC1)CCCN=C(N)N"	"TVMPRXGFXMXJRH-DLYPAOLNSA-N"	"InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28+,29+,30-,31+,32?/m0/s1"	""	""	""
"8484"	"peptide KLK2b(c1)"	""	"Peptide"	""	""	""	""	"252166692"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8849"	"peptide ligand 2 [PMID: 19055415]"	""	"Peptide"	""	""	""	""	"252827506"	"73351751"	""	""	""	""	""	""	""	""	""	"(cdGTyr(3-NO2)GBNc|LXY3"	"C1[C@H](CN2[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)NCC2=O)Cc1cc(c(cc1)O)[N+](=O)[O-])CC(=O)O)N)C(=O)N)CC(=O)N)O"	"VALZMCWLPCJDLL-KXXTWUBKSA-N"	"InChI=1S/C32H43N11O15S2/c33-15-11-59-60-12-19(27(35)51)41-31(55)17(6-23(34)46)40-32(56)21-5-14(44)10-42(21)25(48)9-37-29(53)16(3-13-1-2-22(45)20(4-13)43(57)58)38-24(47)8-36-30(54)18(7-26(49)50)39-28(15)52/h1-2,4,14-19,21,44-45H,3,5-12,33H2,(H2,34,46)(H2,35,51)(H,36,54)(H,37,53)(H,38,47)(H,39,52)(H,40,56)(H,41,55)(H,49,50)/t14-,15+,16+,17+,18-,19+,21+/m1/s1"	""	""	""
"9163"	"peptide P19 [PMID: 15652659]"	""	"Peptide"	""	""	""	""	"315661246"	"0"	""	""	""	""	""	""	""	""	""	"[Ser<sup>11</sup>](N-CNP,C-ANP)pBNP(2-25)"	""	""	""	""	""	""
"1515"	"peptide YY"	"Mouse, Rat, Pig"	"Peptide"	""	""	""	""	"135651874"	"0"	"Q9EPS2|P10631|P68005"	"ENSMUSG00000017311"	""	""	""	""	""	""	""	"peptide tyrosine tyrosine|PYY"	""	""	""	""	""	""
"1514"	"peptide YY"	"Human"	"Peptide"	""	""	""	""	"135651873"	"0"	"P10082"	"ENSG00000131096"	""	""	""	""	""	""	""	"peptide tyrosine tyrosine|PYY"	""	""	""	""	""	""
"5044"	"peptidoglycan"	""	"Natural product"	""	""	""	""	"178101739"	"0"	""	""	""	""	""	""	""	""	""	"murein|PGN"	""	""	""	""	""	""
"7050"	"perampanel"	""	"Synthetic organic"	"yes"	""	""	""	"178103629"	"9924495"	""	""	"CHEMBL1214124"	""	""	""	""	"2-(2-oxo-1-phenyl-5-pyridin-2-ylpyridin-3-yl)benzonitrile"	"perampanel"	"E2007|ER-155055-90|Fycompa&reg;"	"N#Cc1ccccc1c1cc(cn(c1=O)c1ccccc1)c1ccccn1"	"PRMWGUBFXWROHD-UHFFFAOYSA-N"	"InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H"	""	""	""
"12103"	"perenostobart"	""	"Antibody"	""	""	""	""	"472319225"	"0"	""	""	""	""	""	""	""	""	"perenostobart"	"SRF-617|SRF617"	""	""	""	"yes"	""	""
"48"	"pergolide"	""	"Synthetic organic"	"yes"	"yes"	""	""	"135650809"	"47811"	""	""	"CHEMBL531"	""	""	""	""	"(2R,4R,7R)-4-[(methylsulfanyl)methyl]-6-propyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene"	"pergolide"	"LY-127809|Permax&reg;"	"CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3"	"YEHCICAEULNIGD-MZMPZRCHSA-N"	"InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1"	""	""	""
"9216"	"periciazine"	""	"Synthetic organic"	"yes"	""	""	""	"315661292"	"4747"	""	""	"CHEMBL251940"	""	""	""	""	"10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile"	"periciazine"	"pericyazine|propericiazine|RP-8909"	"N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1"	"LUALIOATIOESLM-UHFFFAOYSA-N"	"InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2"	""	""	""
"7424"	"perifosine"	""	"Synthetic organic"	""	""	""	""	"178103996"	"148177"	""	""	"CHEMBL372764"	""	""	""	""	"(1,1-dimethylpiperidin-1-ium-4-yl) octadecyl phosphate"	""	"D 21266|KRX-0401|NSC 639966"	"CCCCCCCCCCCCCCCCCCOP(=O)(OC1CC[N+](CC1)(C)C)[O-]"	"SZFPYBIJACMNJV-UHFFFAOYSA-N"	"InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3"	""	""	""
"6367"	"perindopril"	""	"Synthetic organic"	"yes"	""	""	""	"178102985"	"107807"	""	""	"CHEMBL1581"	""	""	""	""	"(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid"	"perindopril"	"Coversyl&reg;|Preterax&reg;|S-9490"	"CCC[C@@H](C(=O)OCC)N[C@H](C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O)C"	"IPVQLZZIHOAWMC-QXKUPLGCSA-N"	"InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1"	""	""	""
"6373"	"perindoprilat"	""	"Synthetic organic"	"yes"	""	""	""	"178102991"	"72022"	""	""	"CHEMBL1201368"	""	""	""	""	"(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid"	"perindoprilat"	"S-9780"	"CCC[C@@H](C(=O)O)N[C@H](C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O)C"	"ODAIHABQVKJNIY-PEDHHIEDSA-N"	"InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1"	""	""	""
"14663"	"periostin"	"Human"	"Peptide"	""	""	""	""	"530846911"	"0"	"Q15063"	"ENSG00000133110"	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"7556"	"perospirone"	""	"Synthetic organic"	"yes"	""	""	""	"223365892"	"115368"	""	""	"CHEMBL1472975"	""	""	""	""	"(3aS,7aR)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione"	""	"Lullan&reg; (Japan)"	"O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2"	"FBVFZWUMDDXLLG-HDICACEKSA-N"	"InChI=1S/C23H30N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h3-4,9-10,17-18H,1-2,5-8,11-16H2/t17-,18+"	""	""	""
"209"	"perphenazine"	""	"Synthetic organic"	"yes"	""	""	""	"135650810"	"4748"	""	""	"CHEMBL567"	""	""	""	""	"2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol"	"perphenazine"	"Decentan&reg;|Fentazin&reg;|Trilafon&reg;"	"OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2"	"RGCVKNLCSQQDEP-UHFFFAOYSA-N"	"InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2"	""	""	""
"5045"	"persephin"	"Human"	"Peptide"	""	""	""	""	"178101740"	"0"	"O60542"	"ENSG00000125650"	""	""	""	""	""	""	""	"PSPN"	""	""	""	""	""	""
"4515"	"pertechnetate"	""	"Inorganic"	""	""	""	""	"178101240"	"9543089"	""	""	""	""	""	""	""	"technetiumoylolate"	""	""	"[O-][Tc](=O)(=O)=O"	"FXUHHSACBOWLSP-UHFFFAOYSA-N"	"InChI=1S/4O.Tc/q;;;-1;"	""	""	""
"5046"	"pertuzumab"	""	"Antibody"	"yes"	""	""	""	"178101741"	"0"	""	""	""	""	""	""	""	""	"pertuzumab"	"2C4|Omnitarg&reg; (obsolete trade name)|Perjeta&reg;"	""	""	""	""	""	""
"13923"	"pestalotinone B"	""	"Natural product"	""	""	""	""	"513757608"	"170989245"	""	""	""	""	""	""	""	"2,4-dichloro-7,9-dihydroxy-1-methoxy-3-methyl-10-(3-methylbut-2-enyl)-6H-benzo[c][1]benzoxepin-11-one"	""	""	"CC1=C(C2=C(C(=C1Cl)OC)C(=O)C3=C(CO2)C(=CC(=C3CC=C(C)C)O)O)Cl"	"FERJMWBEYPSSTC-UHFFFAOYSA-N"	"InChI=1S/C21H20Cl2O5/c1-9(2)5-6-11-13(24)7-14(25)12-8-28-21-16(19(26)15(11)12)20(27-4)17(22)10(3)18(21)23/h5,7,24-25H,6,8H2,1-4H3"	""	""	"yes"
"5242"	"PETCM"	""	"Synthetic organic"	""	""	""	""	"178101926"	"224859"	""	""	""	""	""	""	""	"1,1,1-trichloro-3-(pyridin-4-yl)propan-2-ol"	""	"1-(trichloromethyl)-2-(4-pyridine)ethanol"	"OC(C(Cl)(Cl)Cl)Cc1ccncc1"	"NGTDJJKTGRNNAU-UHFFFAOYSA-N"	"InChI=1S/C8H8Cl3NO/c9-8(10,11)7(13)5-6-1-3-12-4-2-6/h1-4,7,13H,5H2"	""	""	""
"9855"	"petesicatib"	""	"Synthetic organic"	""	""	""	""	"363894149"	"59543597"	""	""	""	""	""	""	""	"(2S,4R)-N-(1-cyanocyclopropyl)-4-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]sulfonyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide"	"petesicatib"	"RG-7625|RG7625|RO-5459072"	"N#CC1(CC1)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)C(F)(F)F)S(=O)(=O)c1ccc(cc1C(F)(F)F)c1cnn(c1)C"	"KXAAIORSMACJSI-AEFFLSMTSA-N"	"InChI=1S/C25H23F6N5O4S/c1-35-11-15(10-33-35)14-2-3-19(17(8-14)24(26,27)28)41(39,40)16-9-18(20(37)34-22(13-32)4-5-22)36(12-16)21(38)23(6-7-23)25(29,30)31/h2-3,8,10-11,16,18H,4-7,9,12H2,1H3,(H,34,37)/t16-,18+/m1/s1"	"yes"	""	""
"7221"	"pethidine"	""	"Synthetic organic"	"yes"	""	""	""	"178103795"	"4058"	""	""	"CHEMBL607"	""	""	""	""	"ethyl 1-methyl-4-phenylpiperidine-4-carboxylate"	"pethidine"	"Demerol&reg;|meperidine"	"CCOC(=O)C1(CCN(CC1)C)c1ccccc1"	"XADCESSVHJOZHK-UHFFFAOYSA-N"	"InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3"	""	""	""
"14238"	"petosemtamab"	""	"Antibody"	""	""	""	""	"521588878"	"0"	""	""	""	""	""	""	""	""	"petosemtamab"	"MCLA-158|MCLA158"	""	""	""	""	""	""
"13804"	"petrelintide"	""	"Peptide"	""	""	""	""	"507750437"	"172915807"	""	""	""	""	""	""	""	""	"petrelintide"	"ZP-8396|ZP8396"	"CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1C[C@H](C[C@H]1C(=O)N)O)N(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCCNC(=O)C[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)[C@@H](C)O)C)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O"	"TVOIUFVYEVVHCS-HJODGROVSA-N"	"InChI=1S/C185H305N49O61/c1-22-96(10)149(178(290)220-120(77-94(6)7)165(277)223-128(90-238)171(283)225-129(91-239)172(284)230-147(104(18)243)177(289)214-116(66-70-142(260)261)162(274)227-143(95(8)9)173(285)200-83-136(251)207-125(87-235)168(280)218-122(81-132(187)247)167(279)231-148(105(19)244)181(293)234-85-108(245)80-130(234)150(188)262)233(21)179(291)100(14)201-138(253)86-232(20)180(292)124(79-107-53-41-38-42-54-107)221-169(281)126(88-236)224-170(282)127(89-237)222-159(271)113(59-50-74-198-185(193)194)210-160(272)114(63-67-131(186)246)211-164(276)119(76-93(4)5)216-166(278)121(78-106-51-39-37-40-52-106)217-157(269)111(56-47-62-140(256)257)208-151(263)97(11)203-163(275)118(75-92(2)3)215-158(270)112(58-49-73-197-184(191)192)209-161(273)115(65-69-141(258)259)213-176(288)146(103(17)242)228-152(264)98(12)202-155(267)110-55-45-46-71-195-135(250)82-123(154(266)199-84-137(252)226-144(101(15)240)174(286)204-99(13)153(265)229-145(102(16)241)175(287)212-110)219-156(268)109(57-48-72-196-183(189)190)205-134(249)68-64-117(182(294)295)206-133(248)60-43-35-33-31-29-27-25-23-24-26-28-30-32-34-36-44-61-139(254)255/h37-42,51-54,92-105,108-130,143-149,235-245H,22-36,43-50,55-91H2,1-21H3,(H2,186,246)(H2,187,247)(H2,188,262)(H,195,250)(H,199,266)(H,200,285)(H,201,253)(H,202,267)(H,203,275)(H,204,286)(H,205,249)(H,206,248)(H,207,251)(H,208,263)(H,209,273)(H,210,272)(H,211,276)(H,212,287)(H,213,288)(H,214,289)(H,215,270)(H,216,278)(H,217,269)(H,218,280)(H,219,268)(H,220,290)(H,221,281)(H,222,271)(H,223,277)(H,224,282)(H,225,283)(H,226,252)(H,227,274)(H,228,264)(H,229,265)(H,230,284)(H,231,279)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,294,295)(H4,189,190,196)(H4,191,192,197)(H4,193,194,198)/t96-,97-,98-,99-,100-,101+,102+,103+,104+,105+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,143-,144-,145-,146-,147-,148-,149-/m0/s1"	""	""	""
"12227"	"PET-UNK-29afea89-2"	""	"Synthetic organic"	""	""	""	""	"473153815"	"156906260"	""	""	""	""	""	""	""	"(4S)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide"	""	""	"CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc1cncc2ccccc12"	"FRAUGLSYTUOOAF-FQEVSTJZSA-N"	"InChI=1S/C20H17ClN2O3/c1-25-20(8-9-26-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/m0/s1"	""	""	""
"12117"	"pevonedistat"	""	"Synthetic organic"	""	""	""	""	"472319239"	"16720766"	""	""	"CHEMBL1231160"	""	""	""	""	""	"pevonedistat"	"MLN 4924|MLN-4924|MLN4924|TAK-924|TAK924"	"C1Cc2ccccc2[C@H]1Nc1c2ccn(c2ncn1)[C@@H]1C[C@H]([C@H](C1)O)COS(=O)(=O)N"	"MPUQHZXIXSTTDU-QXGSTGNESA-N"	"InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1"	""	""	""
"10379"	"pexacerfont"	""	"Synthetic organic"	""	""	""	""	"384403659"	"9884366"	""	""	"CHEMBL482950"	""	""	""	""	""	"pexacerfont"	"BMS-562086|BMS562086"	"CC[C@H](Nc1nc(C)nc2n1nc(c2c1ccc(nc1C)OC)C)C"	"LBWQSAZEYIZZCE-SNVBAGLBSA-N"	"InChI=1S/C18H24N6O/c1-7-10(2)19-18-22-13(5)21-17-16(12(4)23-24(17)18)14-8-9-15(25-6)20-11(14)3/h8-10H,7H2,1-6H3,(H,19,21,22)/t10-/m1/s1"	""	""	""
"13273"	"pexerelgon"	""	"Synthetic organic"	""	""	""	""	"491300055"	"163395232"	""	""	""	""	""	""	""	"4-[2-fluoro-4-methoxy-5-[[(1S,2R,3S,4R)-3-[(1-methylcyclobutyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]carbamoyl]phenoxy]-1-methylcyclohexane-1-carboxylic acid"	"pexerelgon"	"AZD-5462|AZD5462|compound 6 [PMID: 38502782]"	"COC1=CC(F)=C(O[C@H]2CC[C@](C(O)=O)(C)CC2)C=C1C(N[C@H]3[C@@H](C(NCC4(CCC4)C)=O)[C@@H]5CC[C@H]3C5)=O"	"LYUYYIGCZIZIGF-UNBDJWOASA-N"	"InChI=1S/C30H41FN2O6/c1-29(9-4-10-29)16-32-27(35)24-17-5-6-18(13-17)25(24)33-26(34)20-14-23(21(31)15-22(20)38-3)39-19-7-11-30(2,12-8-19)28(36)37/h14-15,17-19,24-25H,4-13,16H2,1-3H3,(H,32,35)(H,33,34)(H,36,37)/t17-,18+,19-,24+,25-,30+/m1/s1"	""	""	""
"8710"	"pexidartinib"	""	"Synthetic organic"	"yes"	""	""	""	"252827368"	"25151352"	""	""	""	""	""	""	""	"5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyridin-2-amine"	"pexidartinib"	"PLX-3397|PLX3397|Turalio&reg;"	"Clc1cnc2c(c1)c(c[nH]2)Cc1ccc(nc1)NCc1ccc(nc1)C(F)(F)F"	"JGWRKYUXBBNENE-UHFFFAOYSA-N"	"InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)"	""	""	""
"14042"	"pexiganan"	""	"Peptide"	""	""	""	""	"518520669"	"16132253"	""	""	"CHEMBL1275802"	""	""	""	""	""	"pexiganan"	"MSI-78"	"CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)CN"	"KGZGFSNZWHMDGZ-KAYYGGFYSA-N"	"InChI=1S/C122H210N32O22/c1-13-77(9)102(152-98(155)71-132)120(174)135-73-100(157)139-86(50-26-35-59-125)110(164)150-96(69-82-44-20-16-21-45-82)118(172)148-93(66-74(3)4)116(170)145-90(54-30-39-63-129)113(167)142-87(51-27-36-60-126)109(163)137-79(11)105(159)141-88(52-28-37-61-127)112(166)143-91(55-31-40-64-130)114(168)149-95(68-81-42-18-15-19-43-81)107(161)134-72-99(156)138-85(49-25-34-58-124)108(162)136-80(12)106(160)147-97(70-83-46-22-17-23-47-83)119(173)153-101(76(7)8)121(175)146-92(56-32-41-65-131)115(169)154-103(78(10)14-2)122(176)151-94(67-75(5)6)117(171)144-89(53-29-38-62-128)111(165)140-84(104(133)158)48-24-33-57-123/h15-23,42-47,74-80,84-97,101-103H,13-14,24-41,48-73,123-132H2,1-12H3,(H2,133,158)(H,134,161)(H,135,174)(H,136,162)(H,137,163)(H,138,156)(H,139,157)(H,140,165)(H,141,159)(H,142,167)(H,143,166)(H,144,171)(H,145,170)(H,146,175)(H,147,160)(H,148,172)(H,149,168)(H,150,164)(H,151,176)(H,152,155)(H,153,173)(H,154,169)/t77-,78-,79-,80-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,101-,102-,103-/m0/s1"	""	""	"yes"
"9917"	"pexmetinib"	""	"Synthetic organic"	""	""	""	""	"363894211"	"24765037"	""	""	""	""	""	""	""	"1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[[5-fluoro-2-[1-(2-hydroxyethyl)indazol-5-yl]oxyphenyl]methyl]urea"	"pexmetinib"	"ARRY-614|ARRY614"	"OCCn1ncc2c1ccc(c2)Oc1ccc(cc1CNC(=O)Nc1cc(nn1c1ccc(cc1)C)C(C)(C)C)F"	"LNMRSSIMGCDUTP-UHFFFAOYSA-N"	"InChI=1S/C31H33FN6O3/c1-20-5-8-24(9-6-20)38-29(17-28(36-38)31(2,3)4)35-30(40)33-18-22-15-23(32)7-12-27(22)41-25-10-11-26-21(16-25)19-34-37(26)13-14-39/h5-12,15-17,19,39H,13-14,18H2,1-4H3,(H2,33,35,40)"	""	""	""
"14103"	"pezulepistat"	""	"Synthetic organic"	""	""	""	""	"518520730"	"155338171"	""	""	""	""	""	""	""	"(8S,11S,14S)-14-[(2S)-2-{[4-amino-2-(4-tert-butylphenyl)-6-methylpyrimidin-5-yl]formamido}-N-methyl-3-(sulfamoylamino)propanamido]-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1<sup>2</sup>,<sup>6</sup>]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid"	""	"GDC-5780|RG6319"	"OC1=C2C3=C(OC[C@@H](CN)O)C=CC(=C3)C[C@@H](C(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N(C([C@@H](NC(=O)C=4C(C)=NC(=NC4N)C5=CC=C(C(C)(C)C)C=C5)CNS(N)(=O)=O)=O)C)C(=C2)C=C1OC[C@@H](CN)O"	"MWMUFQHFVZYJCC-CPJAVKDOSA-N"	"InChI=1S/C46H61N11O13S/c1-22-36(39(49)56-40(52-22)25-8-10-27(11-9-25)46(3,4)5)42(62)55-33(19-51-71(50,67)68)44(64)57(6)37-26-15-31(38(60)35(16-26)70-21-29(59)18-48)30-13-24(7-12-34(30)69-20-28(58)17-47)14-32(45(65)66)54-41(61)23(2)53-43(37)63/h7-13,15-16,23,28-29,32-33,37,51,58-60H,14,17-21,47-48H2,1-6H3,(H,53,63)(H,54,61)(H,55,62)(H,65,66)(H2,49,52,56)(H2,50,67,68)/t23-,28+,29+,32-,33-,37-/m0/s1"	""	""	"yes"
"8377"	"PF-00489791"	""	"Synthetic organic"	""	""	""	""	"252166589"	"11465695"	""	""	""	""	""	""	""	"1-(2-ethoxyethyl)-5-(ethyl-methylamino)-7-[(4-methylpyridin-2-yl)amino]-N-methylsulfonylpyrazolo[5,4-e]pyrimidine-3-carboxamide"	""	"PF-489,791|PF-489791"	"CCOCCn1nc(c2c1c(Nc1nccc(c1)C)nc(n2)N(CC)C)C(=O)NS(=O)(=O)C"	"ZUHZNKJIJDAJFD-UHFFFAOYSA-N"	"InChI=1S/C20H28N8O4S/c1-6-27(4)20-23-15-16(19(29)26-33(5,30)31)25-28(10-11-32-7-2)17(15)18(24-20)22-14-12-13(3)8-9-21-14/h8-9,12H,6-7,10-11H2,1-5H3,(H,26,29)(H,21,22,23,24)"	""	""	""
"11250"	"PF-00835231"	""	"Synthetic organic"	""	""	""	""	"434122310"	"11561899"	""	""	""	""	""	""	""	"(2S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-[(4-methoxy-1H-indol-2-yl)formamido]-4-methylpentanamide"	""	"compound 4 [Hoffman <i>et al</i>., 2020]|PF-0835231"	"OCC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1[nH]c2c(c1)c(OC)ccc2)CC(C)C)C[C@@H]1CCNC1=O"	"QDIMHKWNHMVDJB-WBAXXEDZSA-N"	"InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1"	""	""	""
"8521"	"PF-01247324"	""	"Synthetic organic"	""	""	""	""	"252166723"	"11659955"	""	""	""	""	""	""	""	"6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide"	""	"PF01247324"	"CNC(=O)c1ccc(c(n1)N)c1cc(Cl)cc(c1Cl)Cl"	"HPIUHDCRVYDAEJ-UHFFFAOYSA-N"	"InChI=1S/C13H10Cl3N3O/c1-18-13(20)10-3-2-7(12(17)19-10)8-4-6(14)5-9(15)11(8)16/h2-5H,1H3,(H2,17,19)(H,18,20)"	""	""	""
"9057"	"PF-03463275"	""	"Synthetic organic"	""	""	""	""	"315661142"	"44156901"	""	""	"CHEMBL563251"	""	""	""	""	"N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-N-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide"	""	"compound 10 [PMID: 19410451]|KB-79869|PF-3463275"	"CN1C[C@@H]2[C@H](C1)C2CN(C(=O)c1ncn(c1)C)Cc1ccc(c(c1)Cl)F"	"KYLOBHXXQOZRKK-YIONKMFJSA-N"	"InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15?"	""	""	""
"9058"	"PF-03654746"	""	"Synthetic organic"	""	""	""	""	"315661143"	"16119086"	""	""	"CHEMBL2151197"	""	""	""	""	"N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide"	""	"compound 6 [PMID: 21928839]|PF 03654746|PF03654746"	"CCNC(=O)C1CC(C1)(F)c1ccc(c(c1)F)CN1CCCC1"	"SXMBKHYDZOCBMT-UHFFFAOYSA-N"	"InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)"	""	""	""
"8179"	"PF-03715455"	""	"Synthetic organic"	""	""	""	""	"249565859"	"11714580"	""	""	"CHEMBL1938400"	""	""	""	""	"1-[5-tert-butyl-2-(3-chloro-4-hydroxyphenyl)pyrazol-3-yl]-3-[[2-[[3-[2-(2-hydroxyethylsulfanyl)phenyl]-[1,2,4]triazolo[3,4-f]pyridin-6-yl]sulfanyl]phenyl]methyl]urea"	""	""	"OCCSc1ccccc1c1nnc2n1cc(cc2)Sc1ccccc1CNC(=O)Nc1cc(nn1c1ccc(c(c1)Cl)O)C(C)(C)C"	"VGEXRDWWPSGZDH-UHFFFAOYSA-N"	"InChI=1S/C35H34ClN7O3S2/c1-35(2,3)30-19-32(43(41-30)23-12-14-27(45)26(36)18-23)38-34(46)37-20-22-8-4-6-10-28(22)48-24-13-15-31-39-40-33(42(31)21-24)25-9-5-7-11-29(25)47-17-16-44/h4-15,18-19,21,44-45H,16-17,20H2,1-3H3,(H2,37,38,46)"	"yes"	""	""
"9061"	"PF-03882845"	""	"Synthetic organic"	""	""	""	""	"315661146"	"46871935"	""	""	"CHEMBL1215331"	""	""	""	""	"(3S,3aR)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylic acid"	""	"compound 2 [PMID: 24738581]|PF-3882845"	"N#Cc1ccc(cc1Cl)N1N=C2[C@@H]([C@@H]1C1CCCC1)CCc1c2ccc(c1)C(=O)O"	"XNULRSOGWPFPBL-REWPJTCUSA-N"	"InChI=1S/C24H22ClN3O2/c25-21-12-18(8-5-17(21)13-26)28-23(14-3-1-2-4-14)20-10-6-15-11-16(24(29)30)7-9-19(15)22(20)27-28/h5,7-9,11-12,14,20,23H,1-4,6,10H2,(H,29,30)/t20-,23-/m0/s1"	""	""	""
"9054"	"PF-04191834"	""	"Synthetic organic"	""	""	""	""	"315661139"	"24986635"	""	""	""	""	""	""	""	"4-[3-[4-(2-methylpyrazol-3-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide"	""	"PF 4191834|PF-4191834"	"Cn1nccc1c1ccc(cc1)Sc1cccc(c1)C1(CCOCC1)C(=O)N"	"DVNQWYLVSNPCJZ-UHFFFAOYSA-N"	"InChI=1S/C22H23N3O2S/c1-25-20(9-12-24-25)16-5-7-18(8-6-16)28-19-4-2-3-17(15-19)22(21(23)26)10-13-27-14-11-22/h2-9,12,15H,10-11,13-14H2,1H3,(H2,23,26)"	"yes"	""	""
"5817"	"PF-04418948"	""	"Synthetic organic"	""	""	""	""	"178102442"	"25114442"	""	""	"CHEMBL3286797"	""	""	""	""	"1-(4-fluorobenzoyl)-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxylic acid"	""	"PF 04418948|PF04418948"	"COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O"	"LWJGMYMNSNVCEM-UHFFFAOYSA-N"	"InChI=1S/C23H20FNO5/c1-29-19-8-4-17-11-20(9-5-16(17)10-19)30-14-23(22(27)28)12-25(13-23)21(26)15-2-6-18(24)7-3-15/h2-11H,12-14H2,1H3,(H,27,28)"	"yes"	""	""
"6694"	"PF-04457845"	""	"Synthetic organic"	""	""	""	""	"178103305"	"24771824"	""	""	"CHEMBL1651534"	""	""	""	""	"N-pyridazin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]piperidine-1-carboxamide"	""	"compound 23 [PMID: 21666860]|PF04457845"	"O=C(N1CCC(=Cc2cccc(c2)Oc2ccc(cn2)C(F)(F)F)CC1)Nc1cccnn1"	"BATCTBJIJJEPHM-UHFFFAOYSA-N"	"InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32)"	""	""	""
"7829"	"PF-04620110"	""	"Synthetic organic"	""	""	""	""	"223366160"	"46926360"	""	""	"CHEMBL1835919"	""	""	""	""	"2-[(1r,4r)-4-(4-{4-amino-5-oxo-5H,6H,7H,8H-pyrimido[5,4-f][1,4]oxazepin-6-yl}phenyl)cyclohexyl]acetic acid"	""	""	"OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)N1CCOc2c(C1=O)c(N)ncn2"	"GEVVQZHMFVFGLN-HDJSIYSDSA-N"	"InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14-"	""	""	""
"9979"	"PF-04634817"	""	"Synthetic organic"	""	""	""	""	"374883866"	"46198579"	""	""	""	""	""	""	""	"[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[(1S,4S)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone"	""	"example 13 [US8293903]|PF-4634817|PF04634817|PF4634817"	"CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncnc(c1)C(F)(F)F"	"MCRWZBYTLVCCJJ-DKALBXGISA-N"	"InChI=1S/C25H36F3N5O3/c1-15(2)24(6-4-16(10-24)31-19-5-7-36-13-20(19)35-3)23(34)33-12-17-8-18(33)11-32(17)22-9-21(25(26,27)28)29-14-30-22/h9,14-20,31H,4-8,10-13H2,1-3H3/t16-,17+,18+,19+,20-,24+/m1/s1"	"yes"	""	""
"7936"	"PF-04691502"	""	"Synthetic organic"	""	""	""	""	"249565619"	"25033539"	""	""	"CHEMBL1234354"	""	""	""	""	"2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one"	""	"PF 04691502|PF04691502"	"OCCO[C@@H]1CC[C@H](CC1)n1c(=O)c(cc2c1nc(N)nc2C)c1ccc(nc1)OC"	"XDLYKKIQACFMJG-WKILWMFISA-N"	"InChI=1S/C22H27N5O4/c1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26)/t15-,16-"	""	""	""
"8538"	"PF-04852946"	""	"Synthetic organic"	""	""	""	""	"252166740"	"46213069"	""	""	""	""	""	""	""	"3-[[4-(4-cyanophenyl)phenoxy]methyl]-1-(4-methoxybenzoyl)pyrrolidine-3-carboxylic acid"	""	"PF 04852946|PF04852946"	"COc1ccc(cc1)C(=O)N1CCC(C1)(COc1ccc(cc1)c1ccc(cc1)C#N)C(=O)O"	"MDVYCLAYSVNYDS-UHFFFAOYSA-N"	"InChI=1S/C27H24N2O5/c1-33-23-10-8-22(9-11-23)25(30)29-15-14-27(17-29,26(31)32)18-34-24-12-6-21(7-13-24)20-4-2-19(16-28)3-5-20/h2-13H,14-15,17-18H2,1H3,(H,31,32)"	""	""	""
"14015"	"PF-04856264"	""	"Synthetic organic"	""	""	""	""	"518520642"	"71718072"	""	""	"CHEMBL2324000"	""	""	""	""	"3-cyano-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide"	""	"PF04856264"	"CN1C(=CC=N1)C2=CC=CC=C2OC3=C(C=C(C=C3)S(=O)(=O)NC4=NC=CS4)C#N"	"MKSKJVIBSRUWSZ-UHFFFAOYSA-N"	"InChI=1S/C20H15N5O3S2/c1-25-17(8-9-23-25)16-4-2-3-5-19(16)28-18-7-6-15(12-14(18)13-21)30(26,27)24-20-22-10-11-29-20/h2-12H,1H3,(H,22,24)"	""	""	""
"9038"	"PF-04859989"	""	"Synthetic organic"	""	""	""	""	"315661123"	"22868923"	""	""	"CHEMBL2047851"	""	""	""	""	"(3S)-3-amino-1-hydroxy-3,4-dihydroquinolin-2-one"	""	"compound 1 [PMID: 23466229]"	"O=C1[C@@H](N)Cc2c(N1O)cccc2"	"HYTRYTZFJVVZAF-ZETCQYMHSA-N"	"InChI=1S/C9H10N2O2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5,10H2/t7-/m0/s1"	"yes"	""	""
"11864"	"PF-04885614"	""	"Synthetic organic"	""	""	""	""	"461663420"	"65459349"	""	""	"CHEMBL4084106"	""	""	""	""	"2-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]propan-2-amine"	""	"compound 13 [Bagal <i>et al</i>., 2016]"	"CC(C)(c1[nH]cc(n1)c1ccc(cc1)OC(F)(F)F)N"	"AGORGFNWYAUYSU-UHFFFAOYSA-N"	"InChI=1S/C13H14F3N3O/c1-12(2,17)11-18-7-10(19-11)8-3-5-9(6-4-8)20-13(14,15)16/h3-7H,17H2,1-2H3,(H,18,19)"	""	""	""
"9062"	"PF-04905428"	""	"Synthetic organic"	""	""	""	""	"315661147"	"11547499"	""	""	"CHEMBL1823817"	""	""	""	""	"2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-[(2R)-2-hydroxy-3-methoxypropyl]-3,5-dioxo-1,2,4-triazin-2-yl]benzamide"	""	"CE-224,535|CE-224535|compound 3 [PMID: 21782426]|compound 33 [PMID: 21565499]"	"COC[C@@H](Cn1c(=O)cnn(c1=O)c1ccc(c(c1)C(=O)NCC1(O)CCCCCC1)Cl)O"	"FUCKCIVGBCBZNP-MRXNPFEDSA-N"	"InChI=1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m1/s1"	"yes"	""	""
"9659"	"PF-04957325"	""	"Synthetic organic"	""	""	""	""	"348353618"	"52938379"	""	""	""	""	""	""	""	"3-[[(2R)-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine"	""	""	"Nc1nc(nc2c1nnn2C[C@@H]1OCCN(C1)Cc1nccs1)C(F)(F)F"	"VNLPYEMGHGDRRZ-MRVPVSSYSA-N"	"InChI=1S/C14H15F3N8OS/c15-14(16,17)13-20-11(18)10-12(21-13)25(23-22-10)6-8-5-24(2-3-26-8)7-9-19-1-4-27-9/h1,4,8H,2-3,5-7H2,(H2,18,20,21)/t8-/m1/s1"	"yes"	""	""
"9059"	"PF-04995274"	""	"Synthetic organic"	""	""	""	""	"315661144"	"53354764"	""	""	"CHEMBL2152922"	""	""	""	""	"4-[[4-[[4-[(3R)-oxolan-3-yl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol"	""	"compound 2d [PMID: 22974325]|PF 04995274|PF04995274"	"OC1(CCOCC1)CN1CCC(CC1)COc1noc2c1c(ccc2)O[C@H]1COCC1"	"WLLOFQROROXOMO-GOSISDBHSA-N"	"InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1"	""	""	""
"10723"	"PF-05089771"	""	"Synthetic organic"	""	""	""	""	"405067316"	"46840946"	""	""	"CHEMBL2325014"	""	""	""	""	"4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide"	""	"PF 05089771|PF05089771"	"Clc1ccc(c(c1)c1cn[nH]c1N)Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1"	"ZYSCOUXLBXGGIM-UHFFFAOYSA-N"	"InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)"	""	""	""
"10300"	"PF-05105679"	""	"Synthetic organic"	""	""	""	""	"381744981"	"60195662"	""	""	"CHEMBL3577885"	""	""	""	""	"3-[[[(1R)-1-(4-fluorophenyl)ethyl]-(quinoline-3-carbonyl)amino]methyl]benzoic acid"	""	"PF05105679"	"Fc1ccc(cc1)[C@H](N(C(=O)c1cnc2c(c1)cccc2)Cc1cccc(c1)C(=O)O)C"	"BXNMZRPTQFVRFA-QGZVFWFLSA-N"	"InChI=1S/C26H21FN2O3/c1-17(19-9-11-23(27)12-10-19)29(16-18-5-4-7-21(13-18)26(31)32)25(30)22-14-20-6-2-3-8-24(20)28-15-22/h2-15,17H,16H2,1H3,(H,31,32)/t17-/m1/s1"	""	""	""
"11626"	"PF-05180999"	""	"Synthetic organic"	""	""	""	""	"442878660"	"60143346"	""	""	"CHEMBL3092562"	""	""	""	""	"4-(azetidin-1-yl)-7-methyl-5-[1-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazine"	""	"compound 30 [PMID: 29293004]|PF 05180999|PF-999|PF05180999"	"Cn1ncc(c1c1ccc(cn1)C(F)(F)F)c1nc(n2c1c(ncn2)N1CCC1)C"	"CLGCHUKGBICQTE-UHFFFAOYSA-N"	"InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3"	""	""	""
"9060"	"PF-05190457"	""	"Synthetic organic"	""	""	""	""	"315661145"	"58438464"	""	""	"CHEMBL3287218"	""	""	""	""	"2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone"	""	"PF-5190457"	"Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C"	"ZIUDADZJCKGWKR-AREMUKBSSA-N"	"InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1"	""	""	""
"13265"	"PF06260933"	""	"Synthetic organic"	""	""	""	""	"491300047"	"118701008"	""	""	"CHEMBL3754515"	""	""	""	""	"5-(6-aminopyridin-3-yl)-3-(4-chlorophenyl)pyridin-2-amine"	""	"compound 16 [PMID: 26617966]|PF-06260933|PF-6260933"	"C1=CC(=CC=C1C2=C(N=CC(=C2)C3=CN=C(C=C3)N)N)Cl"	"KHPCIHZXOGHCLY-UHFFFAOYSA-N"	"InChI=1S/C16H13ClN4/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11/h1-9H,(H2,18,20)(H2,19,21)"	""	""	""
"9432"	"PF-06263276"	""	"Synthetic organic"	""	""	""	""	"329968373"	"135567296"	""	""	""	""	""	""	""	"2-[6-(2-Ethyl-5- fl uoro-4-hydroxyphenyl)-1 H -indazol-3-yl]- 1,4,6,7-tetrahydroimidazo[4,5- c ]pyridin-5-yl-(5-piperidin-1-yl- pyrazin-2-yl)methanone"	""	"compound 2 [PMID: 27983835]|PF 0626327|PF0626327"	"CCc1cc(O)c(cc1c1ccc2c(c1)[nH]nc2c1nc2c([nH]1)CCN(C2)C(=O)c1cnc(cn1)N1CCCCC1)F"	"XDJGNPSZQSWJCV-UHFFFAOYSA-N"	"InChI=1S/C31H31FN8O2/c1-2-18-13-27(41)22(32)14-21(18)19-6-7-20-24(12-19)37-38-29(20)30-35-23-8-11-40(17-26(23)36-30)31(42)25-15-34-28(16-33-25)39-9-4-3-5-10-39/h6-7,12-16,41H,2-5,8-11,17H2,1H3,(H,35,36)(H,37,38)"	"yes"	""	""
"10053"	"PF-06282999"	""	"Synthetic organic"	""	""	""	""	"375973241"	"71571306"	""	""	"CHEMBL3633460"	""	""	""	""	"2-[6-(5-chloro-2-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamide"	""	"compound 8 [PMID: 26509551]|PF06282999"	"COc1ccc(cc1c1cc(=O)[nH]c(=S)n1CC(=O)N)Cl"	"ICYNYWFGIDGBRD-UHFFFAOYSA-N"	"InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)"	"yes"	""	""
"9575"	"PF-06372222"	""	"Synthetic organic"	""	""	""	""	"336446961"	"68178630"	""	""	""	""	""	""	""	"3-[[4-[(R)-(3,3-dimethylcyclobutyl)-[[6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-yl]amino]methyl]benzoyl]amino]propanoic acid"	""	""	"OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](C1CC(C1)(C)C)Nc1ccc(nc1)n1cnc(c1)C(F)(F)F"	"MYZIDYJMNWEJMC-QHCPKHFHSA-N"	"InChI=1S/C26H28F3N5O3/c1-25(2)11-18(12-25)23(16-3-5-17(6-4-16)24(37)30-10-9-22(35)36)33-19-7-8-21(31-13-19)34-14-20(32-15-34)26(27,28)29/h3-8,13-15,18,23,33H,9-12H2,1-2H3,(H,30,37)(H,35,36)/t23-/m0/s1"	""	""	""
"9666"	"PF-06426779"	""	"Synthetic organic"	""	""	""	""	"348353625"	"118414536"	""	""	""	""	""	""	""	"1-{[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide"	""	"example 189 [WO2015150995]|example 38 [PMID:28498658]"	"COc1cc2c(OC[C@H]3NC(=O)[C@H]([C@H]3C)F)nccc2cc1C(=O)N"	"GISRWBROCYNDME-PELMWDNLSA-N"	"InChI=1S/C17H18FN3O4/c1-8-12(21-16(23)14(8)18)7-25-17-10-6-13(24-2)11(15(19)22)5-9(10)3-4-20-17/h3-6,8,12,14H,7H2,1-2H3,(H2,19,22)(H,21,23)/t8-,12+,14-/m0/s1"	"yes"	""	""
"8054"	"PF-06447475"	""	"Synthetic organic"	""	""	""	""	"249565734"	"72706840"	""	""	""	""	""	""	""	"3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile"	""	""	"N#Cc1cccc(c1)c1c[nH]c2c1c(ncn2)N1CCOCC1"	"BHTWDJBVZQBRKP-UHFFFAOYSA-N"	"InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)"	""	""	""
"8295"	"PF-06454589"	""	"Synthetic organic"	""	""	""	""	"252166507"	"72706837"	""	""	""	""	""	""	""	"4-[5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine"	""	"compound 28 [PMID: 25353650]"	"Cn1ncc(c1)c1c[nH]c2c1c(ncn2)N1CCOCC1"	"VNWKCLDQBNSJJO-UHFFFAOYSA-N"	"InChI=1S/C14H16N6O/c1-19-8-10(6-18-19)11-7-15-13-12(11)14(17-9-16-13)20-2-4-21-5-3-20/h6-9H,2-5H2,1H3,(H,15,16,17)"	""	""	""
"9980"	"PF‐06526290"	""	"Synthetic organic"	""	""	""	""	"374883867"	"134611890"	""	""	""	""	""	""	""	"1-{4-[benzyl(methyl)sulfamoyl]phenyl}-3-(1,3-thiazol-2-yl)urea"	""	"PF06526290"	"O=C(Nc1nccs1)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C"	"NZXOWNNCAZTBDJ-UHFFFAOYSA-N"	"InChI=1S/C18H18N4O3S2/c1-22(13-14-5-3-2-4-6-14)27(24,25)16-9-7-15(8-10-16)20-17(23)21-18-19-11-12-26-18/h2-12H,13H2,1H3,(H2,19,20,21,23)"	""	""	""
"13411"	"PF-06648671"	""	"Synthetic organic"	""	""	""	""	"496703381"	"73441910"	""	""	"CHEMBL3951810"	""	""	""	""	""	""	"compound 22 [PMID: 38848667]|PF06648671"	"ClC1=C(F)C=C([C@H]2CC[C@@H]([C@@H](N3C(C4=CC=C(N5C=C(C)N=C5)C(N4CC3)=O)=O)C)O2)C(C(F)(F)F)=C1"	"AKCDDYGYIGPEKL-JQOQJDEVSA-N"	"InChI=1S/C25H23ClF4N4O3/c1-13-11-32(12-31-13)19-3-4-20-24(36)33(7-8-34(20)23(19)35)14(2)21-5-6-22(37-21)15-9-18(27)17(26)10-16(15)25(28,29)30/h3-4,9-12,14,21-22H,5-8H2,1-2H3/t14-,21-,22+/m0/s1"	""	""	""
"12849"	"PF-06649298"	""	"Synthetic organic"	""	""	""	""	"483123397"	"127029348"	""	""	"CHEMBL3769578"	""	""	""	""	"(2R)-2-[2-(4-tert-butylphenyl)ethyl]-2-hydroxybutanedioic acid"	""	"compound 1a [PMID: 26734723]|PF06649298"	"CC(C)(C)C1=CC=C(C=C1)CC[C@@](CC(=O)O)(C(=O)O)O"	"QNFWRHKLBLSSPB-MRXNPFEDSA-N"	"InChI=1S/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)/t16-/m1/s1"	""	""	""
"9831"	"PF-06684511"	""	"Synthetic organic"	""	""	""	""	"354702301"	"59053926"	""	""	""	""	""	""	""	"N-[3-[(4aS,5S,7aS)-2-amino-5-(fluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide"	""	""	"FC[C@H]1OC[C@]2([C@@H]1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)OC"	"YZXTXNWZTAVDKH-KPAZRMRSSA-N"	"InChI=1S/C19H19F2N5O3S/c1-28-16-7-23-14(6-24-16)17(27)25-10-2-3-13(21)11(4-10)19-9-29-15(5-20)12(19)8-30-18(22)26-19/h2-4,6-7,12,15H,5,8-9H2,1H3,(H2,22,26)(H,25,27)/t12-,15-,19-/m1/s1"	""	""	""
"9943"	"PF-06751979"	""	"Synthetic organic"	""	""	""	""	"374883831"	"118435422"	""	""	""	""	""	""	""	"N-[2-[(4aR,6S,8aR)-2-benzamido-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide"	""	"compound 64 [PMID: 29613789]|PF06751979"	"FC(Oc1ccc(nc1)C(=O)Nc1csc(n1)[C@@]12CO[C@H](C[C@H]2CSC(=N1)NC(=O)c1ccccc1)C)F"	"JQUCWIWWWKZNCS-LESHARBVSA-N"	"InChI=1S/C25H23F2N5O4S2/c1-14-9-16-11-38-24(31-20(33)15-5-3-2-4-6-15)32-25(16,13-35-14)22-30-19(12-37-22)29-21(34)18-8-7-17(10-28-18)36-23(26)27/h2-8,10,12,14,16,23H,9,11,13H2,1H3,(H,29,34)(H,31,32,33)/t14-,16-,25-/m0/s1"	""	""	""
"12850"	"PF-06761281"	""	"Synthetic organic"	""	""	""	""	"483123398"	"124203831"	""	""	"CHEMBL3771118"	""	""	""	""	"(2R)-2-hydroxy-2-[2-(2-methoxy-5-methylpyridin-3-yl)ethyl]butanedioic acid"	""	"compound 4a [PMID: 26734723]|PF06761281"	"CC1=CC(=C(N=C1)OC)CC[C@@](CC(=O)O)(C(=O)O)O"	"FGYMJXFSHBLHLW-CYBMUJFWSA-N"	"InChI=1S/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/m1/s1"	""	""	""
"9228"	"PF-06767832"	""	"Synthetic organic"	""	""	""	""	"315661303"	"118663155"	""	""	"CHEMBL4097569"	""	""	""	""	"N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyridine-2-carboxamide"	""	"PF-6767832|PF06767832"	"O[C@H]1COCC[C@@H]1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C"	"VVZZHFMLRHJXTO-RXVVDRJESA-N"	"InChI=1S/C22H23N3O3S/c1-14-10-23-19(22(27)25-18-6-7-28-11-21(18)26)9-17(14)8-15-2-4-16(5-3-15)20-12-29-13-24-20/h2-5,9-10,12-13,18,21,26H,6-8,11H2,1H3,(H,25,27)/t18-,21-/m0/s1"	""	""	""
"12748"	"PF-06835919"	""	"Synthetic organic"	""	""	""	""	"483123296"	"129278694"	""	""	""	""	""	""	""	"2-[(1S,5R)-3-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid"	""	"compound 8 [PMID: 32910646]|PF06835919"	"[H][C@]12CN(C[C@]1([C@@H]2CC(O)=O)[H])C3=CC(C(F)(F)F)=NC(N4[C@H](CC4)C)=N3"	"MDUYWDNWFXSMJJ-XWLWVQCSSA-N"	"InChI=1S/C16H19F3N4O2/c1-8-2-3-23(8)15-20-12(16(17,18)19)5-13(21-15)22-6-10-9(4-14(24)25)11(10)7-22/h5,8-11H,2-4,6-7H2,1H3,(H,24,25)/t8-,9-,10-,11+/m0/s1"	""	""	""
"9565"	"PF-06840003"	""	"Synthetic organic"	""	""	""	""	"336446951"	"23063810"	""	""	""	""	""	""	""	"3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione"	""	"EOS200271|PF06840003"	"Fc1cc2c(C3CC(=O)NC3=O)c[nH]c2cc1"	"MXKLDYKORJEOPR-UHFFFAOYSA-N"	"InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)"	"yes"	""	""
"12720"	"PF-06843195"	""	"Synthetic organic"	""	""	""	""	"483123268"	"124193915"	""	""	"CHEMBL4756555"	""	""	""	""	"2,2-difluoroethyl (3S)-3-[[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-yl]amino]-3-(hydroxymethyl)pyrrolidine-1-carboxylate"	""	"compound 1 [PMID: 33356246]|PF06843195"	"FC1=C(C2=CN=C(N)N=C2)N=C(N3CCOCC3)N=C1N[C@@]4(CO)CCN(C(OCC(F)F)=O)C4"	"RTOREZYNLPQUKM-FQEVSTJZSA-N"	"InChI=1S/C20H25F3N8O4/c21-13(22)9-35-19(33)31-2-1-20(10-31,11-32)29-16-14(23)15(12-7-25-17(24)26-8-12)27-18(28-16)30-3-5-34-6-4-30/h7-8,13,32H,1-6,9-11H2,(H2,24,25,26)(H,27,28,29)/t20-/m0/s1"	""	""	""
"10426"	"PF-06873600"	""	"Synthetic organic"	""	""	""	""	"385612186"	"134247638"	""	""	""	""	""	""	""	"6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one"	""	"example 10 [WO2018033815]|PF06873600"	"FC(c1cc2cnc(nc2n(c1=O)[C@@H]1CCC[C@@]1(C)O)NC1CCN(CC1)S(=O)(=O)C)F"	"QIEKHLDZKRQLLN-FOIQADDNSA-N"	"InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1"	""	""	""
"11324"	"PF‐06928215"	""	"Synthetic organic"	""	""	""	""	"434321759"	"137300622"	""	""	""	""	""	""	""	"(1R,2S)-2-[(7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid"	""	""	"OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]n2c1nc(cc2=O)c1ccccc1"	"WGQGCLHXUPGUSZ-HIFRSBDPSA-N"	"InChI=1S/C20H20N4O4/c25-17-10-16(12-6-2-1-3-7-12)22-18-14(11-21-24(17)18)19(26)23-15-9-5-4-8-13(15)20(27)28/h1-3,6-7,10-11,13,15,21H,4-5,8-9H2,(H,23,26)(H,27,28)/t13-,15+/m1/s1"	"yes"	""	""
"11844"	"PF-06939999"	""	"Synthetic organic"	""	""	""	""	"461663400"	"162679535"	""	""	""	""	""	""	""	"(1S,2S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-{4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclopentane-1,2-diol"	""	""	"Cc1c2ccn([C@@H]3CC(Oc4c5CNCCc5c(F)c(c4)C(F)F)[C@@H](O)[C@H]3O)c2ncn1"	"HBGHQRGHFNTSDP-DGJRPJRTSA-N"	"InChI=1S/C22H23F3N4O3/c1-10-11-3-5-29(22(11)28-9-27-10)15-7-17(20(31)19(15)30)32-16-6-13(21(24)25)18(23)12-2-4-26-8-14(12)16/h3,5-6,9,15,17,19-21,26,30-31H,2,4,7-8H2,1H3/t15-,17?,19+,20-/m1/s1"	""	""	""
"11950"	"PF-07038124"	""	"Synthetic organic"	""	""	""	""	"461663505"	"148293990"	""	""	""	""	""	""	""	"3-[(4R)-2-hydroxyoxaborolan-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine"	""	"Example 4 [US2020108083A1]|PF07038124"	"CCCOc1cc(ccc1OC)c1cncc(c1)[C@@H]1COB(O)C1"	"KXVKOYCGACSUPP-INIZCTEOSA-N"	"InChI=1S/C18H22BNO4/c1-3-6-23-18-8-13(4-5-17(18)22-2)14-7-15(11-20-10-14)16-9-19(21)24-12-16/h4-5,7-8,10-11,16,21H,3,6,9,12H2,1-2H3/t16-/m0/s1"	"yes"	""	""
"12765"	"PF-07054894"	""	"Synthetic organic"	""	""	""	""	"483123313"	"146444831"	""	""	""	""	""	""	""	"4-[[2-[[(R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide"	""	"PF07054894"	"CN1N=C(C(=C1)C)[C@@H](C2(CCCC2)C)NC3=C(C(C3=O)=O)NC4=C(C(=NC=C4)C(=O)N(C)C)O"	"WZBSYWCLIMRAHO-QFIPXVFZSA-N"	"InChI=1S/C24H30N6O4/c1-13-12-30(5)28-15(13)22(24(2)9-6-7-10-24)27-17-16(20(32)21(17)33)26-14-8-11-25-18(19(14)31)23(34)29(3)4/h8,11-12,22,27,31H,6-7,9-10H2,1-5H3,(H,25,26)/t22-/m0/s1"	"yes"	""	""
"12786"	"PF-07059013"	""	"Synthetic organic"	""	""	""	""	"483123334"	"146591762"	""	""	"CHEMBL4650304"	""	""	""	""	"6-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one"	""	"compound  23 [PMID: 33356244]|PF07059013"	"NC1=C(O[C@H](C2=C(N3C=CC=N3)C=CC(N2)=O)C)C=C4C(C=CC(F)=C4)=N1"	"CLEFVPILGAPOTG-NSHDSACASA-N"	"InChI=1S/C19H16FN5O2/c1-11(18-15(5-6-17(26)24-18)25-8-2-7-22-25)27-16-10-12-9-13(20)3-4-14(12)23-19(16)21/h2-11H,1H3,(H2,21,23)(H,24,26)/t11-/m0/s1"	""	""	""
"11125"	"PF-07062119"	""	"Antibody"	""	""	""	""	"434122185"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"13010"	"PF-07202954"	""	"Synthetic organic"	""	""	""	""	"485206131"	"146422953"	""	""	"CHEMBL4875314"	""	""	""	""	"2-[5-(3-ethoxypyridin-2-yl)oxypyridin-3-yl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidine-5-carboxamide"	""	"compound 12 [PMID: 37849537]|PF07202954"	"C(C)OC=1C(=NC=CC1)OC=2C=C(C=NC2)C3=NC=C(C=N3)C(=O)N[C@@H]4CNC[C@H](C4)F"	"CPBXJSPVZIPJMX-IRXDYDNUSA-N"	"InChI=1S/C22H23FN6O3/c1-2-31-19-4-3-5-26-22(19)32-18-6-14(8-24-13-18)20-27-9-15(10-28-20)21(30)29-17-7-16(23)11-25-12-17/h3-6,8-10,13,16-17,25H,2,7,11-12H2,1H3,(H,29,30)/t16-,17-/m0/s1"	""	""	""
"12158"	"PF-07258669"	""	"Synthetic organic"	""	""	""	""	"472319280"	"164889476"	""	""	""	""	""	""	""	"(2R)-2-(5-fluoro-2-methoxypyridin-4-yl)-1-[(2S)-7-methyl-6-(pyrimidin-2-yl)-3,4-dihydro-1H-spiro[1,8-naphthyridine-2,3'-pyrrolidin]-1'-yl]propan-1-one"	""	""	"Cc1c(cc2CC[C@@]3(CCN(C3)C(=O)[C@H](C)c3cc(ncc3F)OC)Nc2n1)c1ncccn1"	"PARGFYLSRQUWHR-BZQUYTCOSA-N"	"InChI=1S/C25H27FN6O2/c1-15(18-12-21(34-3)29-13-20(18)26)24(33)32-10-7-25(14-32)6-5-17-11-19(16(2)30-22(17)31-25)23-27-8-4-9-28-23/h4,8-9,11-13,15H,5-7,10,14H2,1-3H3,(H,30,31)/t15-,25+/m1/s1"	""	""	""
"14198"	"PF-07293893"	""	"Synthetic organic"	""	""	""	""	"518520825"	"171524444"	""	""	""	""	""	""	""	"(4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-2-(4-fluoro-1-methylpyrazol-3-yl)-4-methyl-3H-2,7-naphthyridin-1-one"	""	"example 2 [WO2024084390]|PF07293893"	"CN1C=C(F)C(=N1)N2C[C@](C)(C3=CC=CC(Cl)=C3F)C4=C(C=NC(NC5CN(C5)C(=O)[C@@H]6C[C@@H]6F)=C4F)C2=O"	"KAVAKXWBLXYMNG-FRUQJNMISA-N"	"InChI=1S/C26H23ClF4N6O2/c1-26(15-4-3-5-16(27)20(15)30)11-37(23-18(29)10-35(2)34-23)25(39)14-7-32-22(21(31)19(14)26)33-12-8-36(9-12)24(38)13-6-17(13)28/h3-5,7,10,12-13,17H,6,8-9,11H2,1-2H3,(H,32,33)/t13-,17+,26-/m1/s1"	""	""	""
"13839"	"PF-07853578"	""	"Synthetic organic"	""	""	""	""	"513757524"	"171523990"	""	""	""	""	""	""	""	"(4-chlorophenyl) (5R)-3,3-difluoro-5-[(5R)-5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]piperidine-1-carboxylate"	""	"example 11 [O2024084360A1]|PF07853578"	"C[C@@H]1CCN([C@H]2CN(CC(F)(F)C2)C(=O)OC3=CC=C(Cl)C=C3)S1(=O)=O"	"LWZQGRRGKYWBQG-DGCLKSJQSA-N"	"InChI=1S/C16H19ClF2N2O4S/c1-11-6-7-21(26(11,23)24)13-8-16(18,19)10-20(9-13)15(22)25-14-4-2-12(17)3-5-14/h2-5,11,13H,6-10H2,1H3/t11-,13-/m1/s1"	""	""	""
"14208"	"PF-07899895"	""	"Synthetic organic"	""	""	""	""	"521588848"	"171101962"	""	""	""	""	""	""	""	"3-[3-[(1-aminocyclohexyl)methoxy]-4-cyano-5-methylsulfanylphenyl]imidazo[1,2-a]pyridine-5-carbonitrile"	""	"example 34 [WO2024062360]|PF07899895"	"CSC1=CC(=CC(=C1C#N)OCC2(CCCCC2)N)C3=CN=C4N3C(=CC=C4)C#N"	"LTQKUGJNXFIXKC-UHFFFAOYSA-N"	"InChI=1S/C23H23N5OS/c1-30-21-11-16(19-14-27-22-7-5-6-17(12-24)28(19)22)10-20(18(21)13-25)29-15-23(26)8-3-2-4-9-23/h5-7,10-11,14H,2-4,8-9,15,26H2,1H3"	"yes"	""	""
"13285"	"PF-07957472"	""	"Synthetic organic"	""	""	""	""	"491300067"	"171037455"	""	""	""	""	""	""	""	"2-methyl-N-{1-[2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]cyclopropyl}-5-(4-methylpiperazin-1-yl)benzamide"	""	"compound 4 [Garnsey <i>et al</i>., 2024]|PF07957472"	"CN1C=C(C=N1)C2=NC3=C(C=CC=C3)C(=C2)C4(CC4)NC(=O)C5=CC(=CC=C5C)N6CCN(C)CC6"	"MMVYUHFDLZLNDJ-UHFFFAOYSA-N"	"InChI=1S/C29H32N6O/c1-20-8-9-22(35-14-12-33(2)13-15-35)16-24(20)28(36)32-29(10-11-29)25-17-27(21-18-30-34(3)19-21)31-26-7-5-4-6-23(25)26/h4-9,16-19H,10-15H2,1-3H3,(H,32,36)"	""	""	""
"14683"	"PF-07976016"	""	"Synthetic organic"	""	""	""	""	"530846931"	"172365436"	""	""	""	""	""	""	""	"4-[4-[[(2R)-1-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-2-carbonyl]amino]phenyl]benzoic acid"	""	"Example 4 [WO2024214038]|PF07976016"	"C=1C(NC(=O)N2CCC[C@@H]2C(NC=3C=CC(C=4C=CC(C(O)=O)=CC4)=CC3)=O)=CC=C(C(C)C)C1"	"IGBNWQQJEYDUJS-RUZDIDTESA-N"	"InChI=1S/C28H29N3O4/c1-18(2)19-9-13-24(14-10-19)30-28(35)31-17-3-4-25(31)26(32)29-23-15-11-21(12-16-23)20-5-7-22(8-6-20)27(33)34/h5-16,18,25H,3-4,17H2,1-2H3,(H,29,32)(H,30,35)(H,33,34)/t25-/m1/s1"	""	""	""
"6698"	"PF0998425"	""	"Synthetic organic"	""	""	""	""	"178103309"	"25093231"	""	""	"CHEMBL458084"	""	""	""	""	"4-[(1R,2R)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzonitrile"	""	"PF-998425"	"N#Cc1ccc(cc1C(F)(F)F)[C@H]1CCCC[C@H]1O"	"MENRRRXHFQYXDW-DGCLKSJQSA-N"	"InChI=1S/C14H14F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h5-7,11,13,19H,1-4H2/t11-,13-/m1/s1"	""	""	""
"9014"	"PF-152"	""	"Synthetic organic"	""	""	""	""	"310264792"	"25183622"	""	""	""	""	""	""	""	"N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[2-[[(2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2-methylpyrimidine-4-carboxamide"	""	"compound 43a|example 64 [WO2009016498]|PF152"	"OC[C@@H]1CO[C@H](CO1)Cn1nnc(n1)c1nc(C)nc(c1)C(=O)NCc1ccc(c(c1)OC)F"	"SKEAGJWUKCNICJ-LSDHHAIUSA-N"	"InChI=1S/C21H24FN7O5/c1-12-24-17(20-26-28-29(27-20)8-14-10-34-15(9-30)11-33-14)6-18(25-12)21(31)23-7-13-3-4-16(22)19(5-13)32-2/h3-6,14-15,30H,7-11H2,1-2H3,(H,23,31)/t14-,15+/m0/s1"	"yes"	""	""
"8045"	"PF-3644022"	""	"Synthetic organic"	""	""	""	""	"249565725"	"44631903"	""	""	"CHEMBL1231206"	""	""	""	""	"(15R)-15-methyl-5-(6-methylpyridin-3-yl)-11-thia-6,14,17-triazatetracyclo[8.8.0.0^{2,7}.0^{12,18}]octadeca-1(10),2,4,6,8,12(18)-hexaen-13-one"	""	"PF 3644022|PF3644022"	"C[C@@H]1CNc2c(C(=O)N1)sc1c2c2ccc(nc2cc1)c1ccc(nc1)C"	"CMWRPDHVGMHLSZ-GFCCVEGCSA-N"	"InChI=1S/C21H18N4OS/c1-11-3-4-13(10-22-11)15-6-5-14-16(25-15)7-8-17-18(14)19-20(27-17)21(26)24-12(2)9-23-19/h3-8,10,12,23H,9H2,1-2H3,(H,24,26)/t12-/m1/s1"	""	""	""
"8937"	"PF-3758309"	""	"Synthetic organic"	""	""	""	""	"310264718"	"25227462"	""	""	"CHEMBL3128043"	""	""	""	""	"N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide"	""	"compound 1 [PMID: 24432870]|example 114 [US8530652]|PF-03758309|PF3758309"	"CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)nc2c1scc2)C"	"AYCPARAPKDAOEN-LJQANCHMSA-N"	"InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1"	""	""	""
"5243"	"PF3845"	""	"Synthetic organic"	""	""	""	""	"178101927"	"25154867"	""	""	"CHEMBL1651524"	""	""	""	""	"N-(pyridin-3-yl)-4-[(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methyl]piperidine-1-carboxamide"	""	"PF 3845|PF-3845"	"O=C(N1CCC(CC1)Cc1cccc(c1)Oc1ccc(cn1)C(F)(F)F)Nc1cccnc1"	"NBOJHRYUGLRASX-UHFFFAOYSA-N"	"InChI=1S/C24H23F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,14-17H,8-9,11-13H2,(H,30,32)"	""	""	""
"8036"	"PF-4708671"	""	"Synthetic organic"	""	""	""	""	"249565716"	"51371303"	""	""	"CHEMBL2134202"	""	""	""	""	"2-[[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-1H-benzimidazole"	""	"PF4708671"	"CCc1cncnc1N1CCN(CC1)Cc1nc2c([nH]1)cc(cc2)C(F)(F)F"	"FBLPQCAQRNSVHB-UHFFFAOYSA-N"	"InChI=1S/C19H21F3N6/c1-2-13-10-23-12-24-18(13)28-7-5-27(6-8-28)11-17-25-15-4-3-14(19(20,21)22)9-16(15)26-17/h3-4,9-10,12H,2,5-8,11H2,1H3,(H,25,26)"	""	""	""
"8043"	"PF-477736"	""	"Synthetic organic"	""	""	""	""	"249565723"	"91623356"	""	""	""	""	""	""	""	""	""	"PF 477736|PF-00477736"	"Cn1ncc(c1)c1nc2c3c1c[nH][nH]c(=O)c3cc(c2)NC(=O)[C@@H](C1CCCCC1)N"	"YFNWWNRZJGMDBR-LJQANCHMSA-N"	"InChI=1S/C22H25N7O2/c1-29-11-13(9-25-29)20-16-10-24-28-21(30)15-7-14(8-17(27-20)18(15)16)26-22(31)19(23)12-5-3-2-4-6-12/h7-12,19,24H,2-6,23H2,1H3,(H,26,31)(H,28,30)/t19-/m1/s1"	""	""	""
"8050"	"PF-4800567"	""	"Synthetic organic"	""	""	""	""	"249565730"	"53472153"	""	""	"CHEMBL2069623"	""	""	""	""	"3-[(3-chlorophenoxy)methyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine"	""	"PF4800567"	"Clc1cccc(c1)OCc1nn(c2c1c(N)ncn2)C1CCOCC1"	"AUMDBEHGJRZSOO-UHFFFAOYSA-N"	"InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)"	""	""	""
"6309"	"PF-4840154"	""	"Synthetic organic"	""	""	""	""	"178102928"	"53380803"	""	""	"CHEMBL1818218"	""	""	""	""	"N-benzyl-4-(2-methylpropylamino)-2-[4-(oxan-3-ylmethyl)piperazin-1-yl] pyrimidine-5-carboxamide"	""	"PF 4840154|PF4840154"	"CC(CNc1nc(ncc1C(=O)NCc1ccccc1)N1CCN(CC1)CC1CCCOC1)C"	"PPANZCQXFYBGHN-UHFFFAOYSA-N"	"InChI=1S/C26H38N6O2/c1-20(2)15-27-24-23(25(33)28-16-21-7-4-3-5-8-21)17-29-26(30-24)32-12-10-31(11-13-32)18-22-9-6-14-34-19-22/h3-5,7-8,17,20,22H,6,9-16,18-19H2,1-2H3,(H,28,33)(H,27,29,30)"	""	""	""
"11693"	"PF-514273"	""	"Synthetic organic"	""	""	""	""	"442878719"	"11316919"	""	""	"CHEMBL484929"	""	""	""	""	"2-(2-chlorophenyl)-3-(4-chlorophenyl)-7-(2,2-difluoropropyl)-5,6-dihydropyrazolo[3,4-f][1,4]oxazepin-8-one"	""	"compound 19d [PMID: 19351113]|PF 514273|PF514273"	"Clc1c(cccc1)n1nc2C(=O)N(CCOc2c1c1ccc(cc1)Cl)CC(C)(F)F"	"FJMQJSUOOGOWBD-UHFFFAOYSA-N"	"InChI=1S/C21H17Cl2F2N3O2/c1-21(24,25)12-27-10-11-30-19-17(20(27)29)26-28(16-5-3-2-4-15(16)23)18(19)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3"	""	""	""
"6623"	"PF-543"	""	"Synthetic organic"	""	""	""	""	"178103236"	"66577038"	""	""	"CHEMBL3134157"	""	""	""	""	"[(2R)-1-[(4-{3-[(benzenesulfonyl)methyl]-5-methylphenoxymethyl}phenyl)methyl]pyrrolidin-2-yl]methanol"	""	"compound 22a [PMID: 22397330]|PF 543|sphingosine kinase 1 Inhibitor II"	"OC[C@H]1CCCN1Cc1ccc(cc1)COc1cc(C)cc(c1)CS(=O)(=O)c1ccccc1"	"NPUXORBZRBIOMQ-RUZDIDTESA-N"	"InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1"	""	""	""
"9381"	"PF-562271"	""	"Synthetic organic"	""	""	""	""	"328083483"	"11713159"	""	""	"CHEMBL1084546"	""	""	""	""	"N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide"	""	"PF-00562271|PF-562,271|PF-562,271-26"	"O=C1Nc2c(C1)cc(cc2)Nc1ncc(c(n1)NCc1cccnc1N(S(=O)(=O)C)C)C(F)(F)F"	"MZDKLVOWGIOKTN-UHFFFAOYSA-N"	"InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)"	""	""	""
"7683"	"PF-592379"	""	"Synthetic organic"	""	""	""	""	"223366018"	"10263487"	""	""	""	""	""	""	""	"5-[(2R,5S)-5-methyl-4-propylmorpholin-2-yl]pyridin-2-amine"	""	"PF-592,379"	"CCCN1C[C@H](OC[C@@H]1C)c1ccc(nc1)N"	"DFTCYTDJDXZFSK-JQWIXIFHSA-N"	"InChI=1S/C13H21N3O/c1-3-6-16-8-12(17-9-10(16)2)11-4-5-13(14)15-7-11/h4-5,7,10,12H,3,6,8-9H2,1-2H3,(H2,14,15)/t10-,12-/m0/s1"	""	""	""
"9371"	"PF-670462"	""	"Synthetic organic"	""	""	""	""	"328083473"	"11681588"	""	""	"CHEMBL1951415"	""	""	""	""	"4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine"	""	""	"Nc1nccc(n1)c1n(cnc1c1ccc(cc1)F)C1CCCCC1"	"WUDBUIUHVNECTM-UHFFFAOYSA-N"	"InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)"	""	""	""
"12413"	"PF-6870961"	""	"Synthetic organic"	""	""	""	""	"479821204"	"164946906"	""	""	""	""	""	""	""	"6-methyl-4-[(1R)-1-[7-[2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]-1H-pyrimidin-2-one"	""	"GLXC-25347|GLXC25347|PF-06870961|PF6870961"	"CC1=CN2C=C(CC(=O)N3CCC4(CN(C4)[C@@H]5CCC6=CC(=CC=C56)C7=CC(C)=NC(O)=N7)CC3)N=C2S1"	"QVWZNQBFKUFFHO-RUZDIDTESA-N"	"InChI=1S/C29H32N6O2S/c1-18-11-24(32-27(37)30-18)21-3-5-23-20(12-21)4-6-25(23)35-16-29(17-35)7-9-33(10-8-29)26(36)13-22-15-34-14-19(2)38-28(34)31-22/h3,5,11-12,14-15,25H,4,6-10,13,16-17H2,1-2H3,(H,30,32,37)/t25-/m1/s1"	""	""	""
"5244"	"PF750"	""	"Synthetic organic"	""	""	""	""	"178101928"	"25154868"	""	""	"CHEMBL560590"	""	""	""	""	"N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide"	""	"PF 750|PF-750"	"O=C(N1CCC(CC1)Cc1cnc2c(c1)cccc2)Nc1ccccc1"	"BIODYGOZWZNCAG-UHFFFAOYSA-N"	"InChI=1S/C22H23N3O/c26-22(24-20-7-2-1-3-8-20)25-12-10-17(11-13-25)14-18-15-19-6-4-5-9-21(19)23-16-18/h1-9,15-17H,10-14H2,(H,24,26)"	""	""	""
"9142"	"PF-8380"	""	"Synthetic organic"	""	""	""	""	"315661227"	"25265312"	""	""	"CHEMBL3186509"	""	""	""	""	""	""	"compound 21 [PMID: 26745766]|compound 4 [PMID: 23300119]|PF8380"	"Clc1cc(COC(=O)N2CCN(CC2)CCC(=O)c2ccc3c(c2)oc(=O)[nH]3)cc(c1)Cl"	"JMSUDQYHPSNBSN-UHFFFAOYSA-N"	"InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29)"	""	""	""
"12938"	"PF-9363"	""	"Synthetic organic"	""	""	""	""	"485206059"	"155411202"	""	""	""	""	""	""	""	"2,6-dimethoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide"	""	"CTX-3648|CTx-648|PF9363"	"COC1=CC=CC(=C1S(=O)(=O)NC2=NOC3=C2C(=CC(=C3)CN4C=CC=N4)OC)OC"	"VNSQFPFWUAZOTQ-UHFFFAOYSA-N"	"InChI=1S/C20H20N4O6S/c1-27-14-6-4-7-15(28-2)19(14)31(25,26)23-20-18-16(29-3)10-13(11-17(18)30-22-20)12-24-9-5-8-21-24/h4-11H,12H2,1-3H3,(H,22,23)"	""	""	""
"11060"	"PF-956980"	""	"Synthetic organic"	""	""	""	""	"405560501"	"53344620"	""	""	"CHEMBL4068357"	""	""	""	""	"[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone"	""	"PF 956980|PF-00956980|PF956980"	"C[C@@H]1CCN(C[C@@H]1N(c1ncnc2c1cc[nH]2)C)C(=O)N1CCCC1"	"RONMOMUOZGIDET-HIFRSBDPSA-N"	"InChI=1S/C18H26N6O/c1-13-6-10-24(18(25)23-8-3-4-9-23)11-15(13)22(2)17-14-5-7-19-16(14)20-12-21-17/h5,7,12-13,15H,3-4,6,8-11H2,1-2H3,(H,19,20,21)/t13-,15+/m1/s1"	""	""	""
"7523"	"PFI-1"	""	"Synthetic organic"	""	""	""	""	"187051824"	"71271629"	""	""	"CHEMBL2179387"	""	""	""	""	"2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide"	""	"HY-16586|PF-6405761|QCR-192"	"COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)N2)C"	"TXZPMHLMPKIUGK-UHFFFAOYSA-N"	"InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)"	""	""	""
"7915"	"PFI-3"	""	"Synthetic organic"	""	""	""	""	"249565598"	"78243717"	""	""	""	""	""	""	""	"(E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-5-yl]prop-2-en-1-one"	""	"compound 16 [PMID: 27115555]|IN2080|PF-06687252|PFI 3"	"O=C(c1ccccc1O)/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1"	"INAICWLVUAKEPB-QSTFCLMHSA-N"	"InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1"	""	""	""
"8575"	"PFI-4"	""	"Synthetic organic"	""	""	""	""	"252166776"	"40642506"	""	""	""	""	""	""	""	"N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide"	""	""	"COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCC1)n(c(=O)n2C)C"	"QCIJLRJBZDBVDB-UHFFFAOYSA-N"	"InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)"	""	""	""
"5804"	"Pfizer compound 11 [PMID:18445527]"	""	"Synthetic organic"	""	""	""	""	"178102429"	"24958668"	""	""	"CHEMBL255306"	""	""	""	""	"1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea"	""	""	"O=C(Nc1ccccc1Oc1cc(nn1c1ccccc1Cl)C)Nc1ccc(cc1)OC(F)(F)F"	"SAIPZPCGTLOMFE-UHFFFAOYSA-N"	"InChI=1S/C24H18ClF3N4O3/c1-15-14-22(32(31-15)20-8-4-2-6-18(20)25)34-21-9-5-3-7-19(21)30-23(33)29-16-10-12-17(13-11-16)35-24(26,27)28/h2-14H,1H3,(H2,29,30,33)"	""	""	""
"5805"	"Pfizer compound 67 [PMID:18445527]"	""	"Synthetic organic"	""	""	""	""	"178102430"	"24743975"	""	""	"CHEMBL255724"	""	""	""	""	"1-(4-cyclohexylphenyl)-3-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]urea"	""	""	"CCc1ccccc1n1nc(cc1Oc1ccccc1NC(=O)Nc1ccc(cc1)C1CCCCC1)C"	"BLOWXIFVYOKSMX-UHFFFAOYSA-N"	"InChI=1S/C31H34N4O2/c1-3-23-11-7-9-15-28(23)35-30(21-22(2)34-35)37-29-16-10-8-14-27(29)33-31(36)32-26-19-17-25(18-20-26)24-12-5-4-6-13-24/h7-11,14-21,24H,3-6,12-13H2,1-2H3,(H2,32,33,36)"	""	""	""
"9562"	"PFK15"	""	"Synthetic organic"	""	""	""	""	"336446948"	"25142799"	""	""	"CHEMBL3105836"	""	""	""	""	"1-(pyridin-4-yl)-3-(quinolin-2-yl)prop-2-en-1-one"	""	"PFK-015"	"O=C(c1ccncc1)C=Cc1ccc2c(n1)cccc2"	"UJJUKZPBUMCSJZ-UHFFFAOYSA-N"	"InChI=1S/C17H12N2O/c20-17(14-9-11-18-12-10-14)8-7-15-6-5-13-3-1-2-4-16(13)19-15/h1-12H"	"yes"	""	""
"10125"	"PFKFB3 kinase Inhibitor 69"	""	"Synthetic organic"	""	""	""	""	"381118835"	"122690758"	""	""	""	""	""	""	""	"N-(4-methanesulfonylpyridin-3-yl)-8-(3-methyl-1-benzothiophen-5-yl)quinoxalin-6-amine"	""	"compound 69 [PMID: 30378281]|example 110 [WO2016180537]"	"Cc1csc2c1cc(cc2)c1cc(Nc2cnccc2S(=O)(=O)C)cc2c1nccn2"	"CYJRNFFLTBEQSQ-UHFFFAOYSA-N"	"InChI=1S/C23H18N4O2S2/c1-14-13-30-21-4-3-15(9-17(14)21)18-10-16(11-19-23(18)26-8-7-25-19)27-20-12-24-6-5-22(20)31(2,28)29/h3-13,27H,1-2H3"	""	""	""
"1686"	"[(pF)Phe<sup>4</sup>]N/OFQ-(1-13)-NH<sub>2</sub>"	""	"Peptide"	""	""	""	""	"135652383"	"0"	""	""	""	""	""	""	""	""	""	"[(pF)Phe<sup>4</sup>]nociceptin(1-13)NH<sub>2</sub>|[(pF)Phe<sup>4</sup>]nociceptin/orphanin FQ(1-13)NH<sub>2</sub>|[(pF)Phe<sup>4</sup>]orphanin FQ(1-13)NH<sub>2</sub>|peptide 4a"	""	""	""	""	""	""
"6675"	"PG01037"	""	"Synthetic organic"	""	""	""	""	"178103287"	"11477180"	""	""	"CHEMBL180010"	""	""	""	""	"N-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-4-pyridin-2-ylbenzamide"	""	"PG 01037|PG-01037"	"O=C(c1ccc(cc1)c1ccccn1)NC/C=C/CN1CCN(CC1)c1cccc(c1Cl)Cl"	"ZMYOIZHRXABMFZ-ONEGZZNKSA-N"	"InChI=1S/C26H26Cl2N4O/c27-22-6-5-8-24(25(22)28)32-18-16-31(17-19-32)15-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-13H,14-19H2,(H,30,33)/b4-3+"	""	""	""
"6546"	"PG-106"	""	"Peptide"	""	""	""	""	"178103160"	"0"	""	""	""	""	""	""	""	""	""	"PG 106|PG106"	""	""	""	""	""	""
"1341"	"PG-901"	""	"Peptide"	""	""	""	""	"135652384"	"0"	""	""	""	""	""	""	""	""	""	"PG 901|PG901"	""	""	""	""	""	""
"2268"	"PG 97-269"	""	"Peptide"	""	""	""	""	"135652385"	"155817437"	""	""	""	""	""	""	""	""	""	"[Acetyl-His<sup>1</sup>,D-Phe<sup>2</sup>,Lys<sup>15</sup>,Arg<sup>16</sup>,Leu<sup>17</sup>]VIP(3-7)/GRF(8-27)"	"CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O"	"ATUJPFYFVOFWAC-MVAHIZQLSA-N"	"InChI=1S/C150H246N44O38/c1-21-82(16)119(146(231)178-99(121(156)206)59-75(2)3)193-141(226)110(70-116(204)205)184-129(214)98(51-52-113(154)200)177-132(217)100(60-76(4)5)181-134(219)101(61-77(6)7)179-127(212)93(42-29-32-54-152)172-125(210)95(44-34-56-164-148(157)158)171-122(207)83(17)169-142(227)111(72-195)189-135(220)102(62-78(8)9)180-128(213)97(46-36-58-166-150(161)162)174-124(209)92(41-28-31-53-151)175-133(218)103(63-79(10)11)186-145(230)118(81(14)15)192-130(215)94(43-30-33-55-153)173-126(211)96(45-35-57-165-149(159)160)176-136(221)105(66-89-47-49-91(199)50-48-89)183-143(228)112(73-196)190-139(224)108(68-114(155)201)188-147(232)120(85(19)197)194-140(225)106(65-88-39-26-23-27-40-88)187-144(229)117(80(12)13)191-123(208)84(18)168-131(216)109(69-115(202)203)185-137(222)104(64-87-37-24-22-25-38-87)182-138(223)107(170-86(20)198)67-90-71-163-74-167-90/h22-27,37-40,47-50,71,74-85,92-112,117-120,195-197,199H,21,28-36,41-46,51-70,72-73,151-153H2,1-20H3,(H2,154,200)(H2,155,201)(H2,156,206)(H,163,167)(H,168,216)(H,169,227)(H,170,198)(H,171,207)(H,172,210)(H,173,211)(H,174,209)(H,175,218)(H,176,221)(H,177,217)(H,178,231)(H,179,212)(H,180,213)(H,181,219)(H,182,223)(H,183,228)(H,184,214)(H,185,222)(H,186,230)(H,187,229)(H,188,232)(H,189,220)(H,190,224)(H,191,208)(H,192,215)(H,193,226)(H,194,225)(H,202,203)(H,204,205)(H4,157,158,164)(H4,159,160,165)(H4,161,162,166)/t82-,83-,84-,85+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104+,105-,106-,107-,108-,109-,110-,111-,112-,117-,118-,119-,120-/m0/s1"	""	""	""
"2272"	"PG 99-465"	""	"Peptide"	""	""	""	""	"135652386"	"0"	""	""	""	""	""	""	""	""	""	"Myr-His<sup>1</sup>[Lys<sup>12</sup>,Lys<sup>27,28</sup>,Gly<sup>29,30</sup>,Thr<sup>31</sup>]VIP|PG99-465"	""	""	""	""	""	""
"1881"	"PGD<sub>2</sub>"	""	"Metabolite"	""	""	""	""	"135651538"	"448457"	""	""	"CHEMBL1235252"	""	""	""	""	"(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid"	""	"11-dehydroprostaglandin F2-&alpha;|BRN 2170623|prostaglandin D2"	"CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O"	"BHMBVRSPMRCCGG-OUTUXVNYSA-N"	"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1"	""	""	""
"1908"	"PGD<sub>3</sub>"	""	"Metabolite"	""	""	""	""	"135650811"	"656745"	""	""	""	""	""	""	""	"7-[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxyocta-1,5-dien-1-yl]-3-oxocyclopentyl]hept-5-enoic acid"	""	""	"CCC=CC[C@@H](C=C[C@H]1C(=O)C[C@@H]([C@@H]1CC=CCCCC(=O)O)O)O"	"ANOICLBSJIMQTA-MLHJIOFPSA-N"	"InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,24,25)/t15-,16+,17+,18-/m0/s1"	""	""	""
"3207"	"P'-geranyl 2-fluoromevalonate 5-diphosphate"	""	"Synthetic organic"	""	""	""	""	"135650812"	"56947087"	""	""	""	""	""	""	""	"5-({[({[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-fluoro-3-hydroxy-3-methylpentanoic acid"	""	""	"C/C(=C\COP(=O)(OP(=O)(OCCC(C(C(=O)O)F)(O)C)O)O)/CCC=C(C)C"	"ACYPMTKDKJZHBJ-MDWZMJQESA-N"	"InChI=1S/C16H29FO10P2/c1-12(2)6-5-7-13(3)8-10-25-28(21,22)27-29(23,24)26-11-9-16(4,20)14(17)15(18)19/h6,8,14,20H,5,7,9-11H2,1-4H3,(H,18,19)(H,21,22)(H,23,24)/b13-8+"	""	""	""
"3208"	"P'-geranyl 3,5,7-trihydroxy-3-methylheptanate 7-diphosphate"	""	"Synthetic organic"	""	""	""	""	"135649699"	"11658073"	""	""	""	""	""	""	""	"7-({[({[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3,5-dihydroxy-3-methylheptanoic acid"	""	""	"C/C(=C\COP(=O)(OP(=O)(OCCC(CC(CC(=O)O)(O)C)O)O)O)/CCC=C(C)C"	"WJXJJEWDRXZOEO-OVCLIPMQSA-N"	"InChI=1S/C18H34O11P2/c1-14(2)6-5-7-15(3)8-10-27-30(23,24)29-31(25,26)28-11-9-16(19)12-18(4,22)13-17(20)21/h6,8,16,19,22H,5,7,9-13H2,1-4H3,(H,20,21)(H,23,24)(H,25,26)/b15-8+"	""	""	""
"3210"	"P'-geranyl 3,5,8-trihydroxy-3-methyloctanate 8-diphosphate"	""	"Synthetic organic"	""	""	""	""	"135650813"	"11498992"	""	""	""	""	""	""	""	"8-[[[(2E)-3,7-dimethylocta-2,6-dienoxy]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,5-dihydroxy-3-methyloctanoic acid"	""	""	"OC(CC(CC(=O)O)(O)C)CCCOP(=O)(OP(=O)(OC/C=C(/CCC=C(C)C)\C)O)O"	"FPMYZHYONYFBNX-MHWRWJLKSA-N"	"InChI=1S/C19H36O11P2/c1-15(2)7-5-8-16(3)10-12-29-32(26,27)30-31(24,25)28-11-6-9-17(20)13-19(4,23)14-18(21)22/h7,10,17,20,23H,5-6,8-9,11-14H2,1-4H3,(H,21,22)(H,24,25)(H,26,27)/b16-10+"	""	""	""
"5621"	"P'-geranyl 3,5,9-trihydroxy-3-methylnonanate 9-diphosphate"	""	"Synthetic organic"	""	""	""	""	"178102255"	"11650985"	""	""	""	""	""	""	""	"9-[[[(2E)-3,7-dimethylocta-2,6-dienoxy]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,5-dihydroxy-3-methylnonanoic acid"	""	""	"OC(CC(CC(=O)O)(O)C)CCCCOP(=O)(OP(=O)(OC/C=C(/CCC=C(C)C)\C)O)O"	"PMUQIJKCGIYWGT-GZTJUZNOSA-N"	"InChI=1S/C20H38O11P2/c1-16(2)8-7-9-17(3)11-13-30-33(27,28)31-32(25,26)29-12-6-5-10-18(21)14-20(4,24)15-19(22)23/h8,11,18,21,24H,5-7,9-10,12-15H2,1-4H3,(H,22,23)(H,25,26)(H,27,28)/b17-11+"	""	""	""
"1882"	"PGE<sub>1</sub>"	""	"Metabolite"	"yes"	""	""	""	"135650814"	"5280723"	""	""	"CHEMBL495"	""	""	""	""	"7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid"	"alprostadil"	"Alprostadil&reg;|MR-256|prostaglandin E<sub>1</sub>"	"CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O"	"GMVPRGQOIOIIMI-DWKJAMRDSA-N"	"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1"	""	""	""
"1883"	"PGE<sub>2</sub>"	""	"Metabolite"	"yes"	""	""	""	"135651539"	"5280360"	""	""	"CHEMBL548"	""	""	""	""	"(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid"	"dinoprostone"	"Cervidil&reg;|minprositin E2|minprostin E2|Propess&reg;|prostaglandin E2"	"CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O"	"XEYBRNLFEZDVAW-ARSRFYASSA-N"	"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1"	"yes"	""	""
"5456"	"PGF2-1-ethanolamide"	""	"Synthetic organic"	""	""	""	""	"178102106"	"73755121"	""	""	""	""	""	""	""	"(5Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-methylcyclopentyl]-N-(2-hydroxyethyl)hept-5-enamide"	""	"prostaglandin F2&alpha; ethanolamide|prostamide F2&alpha;"	"CCCCC[C@@H](/C=C/[C@H]1[C@H](C)C[C@@H]([C@@H]1C/C=C\CCCC(=O)NCCO)O)O"	"YUKILNRONMAMTM-NKDIASRKSA-N"	"InChI=1S/C23H41NO4/c1-3-4-7-10-19(26)13-14-20-18(2)17-22(27)21(20)11-8-5-6-9-12-23(28)24-15-16-25/h5,8,13-14,18-22,25-27H,3-4,6-7,9-12,15-17H2,1-2H3,(H,24,28)/b8-5-,14-13+/t18-,19+,20+,21-,22+/m1/s1"	""	""	""
"5412"	"PGF<sub>1&alpha;</sub>"	""	"Metabolite"	""	""	""	""	"178102065"	"5280939"	""	""	"CHEMBL1325783"	""	""	""	""	"7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoic acid"	""	"prostaglandin F<sub>1&alpha;</sub>|U 18714"	"CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O"	"DZUXGQBLFALXCR-CDIPTNKSSA-N"	"InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-,19+/m0/s1"	""	""	""
"1884"	"PGF<sub>2&alpha;</sub>"	""	"Metabolite"	""	""	""	""	"135651540"	"5280363"	""	""	"CHEMBL815"	""	""	""	""	"(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid"	"dinoprost"	"prostaglandin F<sub>2&alpha;</sub>"	"CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O"	"PXGPLTODNUVGFL-YNNPMVKQSA-N"	"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1"	"yes"	""	""
"5245"	"PGG<sub>2</sub>"	""	"Metabolite"	""	""	""	""	"178101929"	"5280883"	""	""	""	""	""	""	""	"(5Z)-7-[(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid"	""	"prostaglandin G<sub>2</sub>"	"CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OO[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)OO"	"SGUKUZOVHSFKPH-YNNPMVKQSA-N"	"InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1"	""	""	""
"4483"	"PGH<sub>2</sub>"	""	"Metabolite"	""	""	""	""	"178101215"	"445049"	""	""	"CHEMBL2074582"	""	""	""	""	"(Z)-7-[(1S,2R,3R,4R)-3-[(E,3S)-3-hydroxyoct-1-enyl]-5,6-dioxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid"	""	"prostaglandin H<sub>2</sub>"	"CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OO[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O"	"YIBNHAJFJUQSRA-YNNPMVKQSA-N"	"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1"	""	""	""
"1915"	"PGI<sub>2</sub>"	""	"Metabolite"	"yes"	""	""	""	"135651541"	"5282411"	""	""	"CHEMBL1139"	""	""	""	""	"(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]pentanoic acid"	"epoprostenol"	"prostacyclin|prostacyclin I2|prostaglandin I2|vasocyclin"	"CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O"	"KAQKFAOMNZTLHT-OZUDYXHBSA-N"	"InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1"	""	""	""
"1885"	"PGJ<sub>2</sub>"	""	"Metabolite"	""	""	""	""	"135651542"	"5280884"	""	""	"CHEMBL1397260"	""	""	""	""	"(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid"	""	"9-deoxy-delta-9-prostaglandin D2|prostaglandin J2"	"CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)C=CC1=O)O"	"UQOQENZZLBSFKO-POPPZSFYSA-N"	"InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1"	""	""	""
"10110"	"PGN-9856"	""	"Synthetic organic"	""	""	""	""	"381118820"	"59654860"	""	""	""	""	""	""	""	"2-[3-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenoxy]acetic acid"	""	"PGN 9856|PGN9856"	"OC(=O)COc1cccc(c1)NC(=O)c1cc(ccc1F)c1cccc(c1)F"	"HZJWJNHYKNSGAT-UHFFFAOYSA-N"	"InChI=1S/C21H15F2NO4/c22-15-4-1-3-13(9-15)14-7-8-19(23)18(10-14)21(27)24-16-5-2-6-17(11-16)28-12-20(25)26/h1-11H,12H2,(H,24,27)(H,25,26)"	""	""	""
"1300"	"p-guanidinobenzoyl-MCH-(7-17)"	""	"Peptide"	""	""	""	""	"135652387"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7818"	"PH-797804"	""	"Synthetic organic"	""	""	""	""	"223366149"	"22049997"	""	""	"CHEMBL1088751"	""	""	""	""	"3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridin-1-yl]-N,4-dimethylbenzamide"	""	""	"CNC(=O)c1ccc(c(c1)n1c(C)cc(c(c1=O)Br)OCc1ccc(cc1F)F)C"	"KCAJXIDMCNPGHZ-UHFFFAOYSA-N"	"InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)"	"yes"	""	""
"9398"	"PHA-408"	""	"Synthetic organic"	""	""	""	""	"328083500"	"22291652"	""	""	"CHEMBL592893"	""	""	""	""	"8-[[5-chloro-2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide"	""	"PHA408"	"CN1CCN(CC1)c1ncc(c(c1)C(=O)Nc1ccc2c(c1)c1c(CC2)c(nn1c1ccc(cc1)F)C(=O)N)Cl"	"ZLEZHGHFWIHCGU-UHFFFAOYSA-N"	"InChI=1S/C29H27ClFN7O2/c1-36-10-12-37(13-11-36)25-15-23(24(30)16-33-25)29(40)34-19-6-2-17-3-9-21-26(28(32)39)35-38(27(21)22(17)14-19)20-7-4-18(31)5-8-20/h2,4-8,14-16H,3,9-13H2,1H3,(H2,32,39)(H,34,40)"	"yes"	""	""
"3998"	"PHA-543613"	""	"Synthetic organic"	""	""	""	""	"178100824"	"9930121"	""	""	"CHEMBL214268"	""	""	""	""	"N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide"	""	"PHA-543,613"	"O=C(c1ncc2c(c1)cco2)N[C@H]1CN2CCC1CC2"	"IPKZCLGGYKRDES-ZDUSSCGKSA-N"	"InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1"	""	""	""
"5700"	"PHA-665752"	""	"Synthetic organic"	""	""	""	""	"178102327"	"10461815"	""	""	"CHEMBL450786"	""	""	""	""	"(3Z)-5-{[(2,6-dichlorophenyl)methane]sulfonyl}-3-[(3,5-dimethyl-4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one"	""	"PHA 665752|TCMDC-125885"	"O=C1Nc2c(/C/1=C/c1[nH]c(c(c1C)C(=O)N1CCC[C@@H]1CN1CCCC1)C)cc(cc2)S(=O)(=O)Cc1c(Cl)cccc1Cl"	"OYONTEXKYJZFHA-SSHUPFPWSA-N"	"InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m1/s1"	""	""	""
"3997"	"PHA-709829"	""	"Synthetic organic"	""	""	""	""	"178100823"	"10107234"	""	""	"CHEMBL403858"	""	""	""	""	"N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide"	""	""	"O=C(c1ncc2c(c1)cco2)N[C@@H]1C[C@H]2CCN(C1)C2"	"PTGWFYYEAUFEAS-ZYHUDNBSSA-N"	"InChI=1S/C15H17N3O2/c19-15(13-6-11-2-4-20-14(11)7-16-13)17-12-5-10-1-3-18(8-10)9-12/h2,4,6-7,10,12H,1,3,5,8-9H2,(H,17,19)/t10-,12-/m1/s1"	""	""	""
"2208"	"[Phaa<sup>1</sup>,<small>D</small>-Tyr(Et)<sup>2</sup>,Lys<sup>6</sup>,des-Gly<sup>9</sup>]AVP"	""	"Peptide"	""	""	""	""	"135652388"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2209"	"[Phaa<sup>1</sup>,<small>D</small>-Tyr(Et)<sup>2</sup>,Val<sup>4</sup>,Lys<sup>6</sup>,Tyr-NH<sub>2</sub><sup>8</sup>,des-Gly<sup>9</sup>]AVP"	""	"Peptide"	""	""	""	""	"135652389"	"0"	""	""	""	""	""	""	""	""	""	"TyrPhaa"	""	""	""	""	""	""
"2210"	"[Phaa<sup>1</sup>,<small>D</small>-Tyr(Me)<sup>2</sup>,Arg<sup>6</sup>,Tyr-NH<sub>2</sub><sup>9</sup>]AVP"	""	"Peptide"	""	""	""	""	"135652390"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2211"	"[Phaa<sup>1</sup>,<small>D</small>-Tyr<sup>2</sup>,Val<sup>4</sup>,Arg<sup>6</sup>,Arg-NH<sub>2</sub><sup>9</sup>]AVP"	""	"Peptide"	""	""	""	""	"135652391"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1091"	"phaclofen"	""	"Synthetic organic"	""	""	""	""	"135650815"	"1641"	""	""	"CHEMBL1255941"	""	""	""	""	"[3-amino-2-(4-chlorophenyl)propyl]phosphonic acid"	""	""	"NCC(c1ccc(cc1)Cl)CP(=O)(O)O"	"VSGNGLJPOGUDON-UHFFFAOYSA-N"	"InChI=1S/C9H13ClNO3P/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H2,12,13,14)"	""	""	""
"4736"	"phalloidin"	""	"Natural product"	""	""	""	""	"178101447"	"4752"	""	""	""	""	""	""	""	"28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.0^{3,11}.0^{4,9}.0^{16,20}]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone"	""	""	"OCC(CC1NC(=O)C2NC(=O)C(C)NC(=O)C3CC(CN3C(=O)C(CSc3c(C2)c2ccccc2[nH]3)NC(=O)C(NC(=O)C(NC1=O)C)C(O)C)O)(O)C"	"KPKZJLCSROULON-UHFFFAOYSA-N"	"InChI=1S/C35H48N8O11S/c1-15-27(47)38-22-10-20-19-7-5-6-8-21(19)41-33(20)55-13-24(34(53)43-12-18(46)9-25(43)31(51)37-15)40-32(52)26(17(3)45)42-28(48)16(2)36-30(50)23(39-29(22)49)11-35(4,54)14-44/h5-8,15-18,22-26,41,44-46,54H,9-14H2,1-4H3,(H,36,50)(H,37,51)(H,38,47)(H,39,49)(H,40,52)(H,42,48)"	""	""	""
"1416"	"PHCCC"	""	"Synthetic organic"	""	""	""	""	"135650816"	"5866327"	""	""	"CHEMBL164770"	""	""	""	""	"7-hydroxyimino-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide"	""	"(-) PHCCC"	"O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccccc1"	"FPXPIEZPAXSELW-CYVLTUHYSA-N"	"InChI=1S/C17H14N2O3/c20-16(18-11-6-2-1-3-7-11)17-10-13(17)15(19-21)12-8-4-5-9-14(12)22-17/h1-9,13,21H,10H2,(H,18,20)/b19-15-"	""	""	""
"11655"	"phelorphan"	""	"Peptide"	""	""	""	""	"442878681"	"187071"	""	""	""	""	""	""	""	""	""	"deamino-norcysteinyl-L-phenylalanyl-L-phenylalanine"	"c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NC(=O)CS"	"DPRJEBOTAKMRQV-IRXDYDNUSA-N"	"InChI=1S/C20H22N2O4S/c23-18(13-27)21-16(11-14-7-3-1-4-8-14)19(24)22-17(20(25)26)12-15-9-5-2-6-10-15/h1-10,16-17,27H,11-13H2,(H,21,23)(H,22,24)(H,25,26)/t16-,17-/m0/s1"	""	""	""
"2113"	"[Phe(Me)<sup>7</sup>]neurokinin B"	""	"Peptide"	""	""	""	""	"135652392"	"0"	""	""	""	""	""	""	""	""	""	"[MePhe<sup>7</sup>]NKB"	""	""	""	""	""	""
"7265"	"phenacemide"	""	"Synthetic organic"	"yes"	""	""	""	"178103839"	"4753"	""	""	"CHEMBL918"	""	""	""	""	"1-[(C-hydroxycarbonimidoyl)imino]-2-phenylethan-1-ol"	"phenacemide"	"Phenurone&reg;"	"OC(=NC(=N)O)Cc1ccccc1"	"XPFRXWCVYUEORT-UHFFFAOYSA-N"	"InChI=1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)"	""	""	""
"7402"	"phenacetin"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103974"	"4754"	""	""	"CHEMBL16073"	""	""	""	""	"N-(4-Ethoxyphenyl)acetamide"	"phenacetin"	"acetophenetidin"	"CCOc1ccc(cc1)NC(=O)C"	"CPJSUEIXXCENMM-UHFFFAOYSA-N"	"InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)"	""	""	""
"4281"	"phenamil"	""	"Synthetic organic"	""	""	""	""	"178101098"	"135403792"	""	""	"CHEMBL211502"	""	""	""	""	"3,5-diamino-N-[(1E)-amino(phenylamino)methylidene]-6-chloropyrazine-2-carboxamide"	""	""	"N/C(=N\C(=O)c1nc(Cl)c(nc1N)N)/Nc1ccccc1"	"NIOHELZQFBGCEO-UHFFFAOYSA-N"	"InChI=1S/C12H12ClN7O/c13-8-10(15)19-9(14)7(18-8)11(21)20-12(16)17-6-4-2-1-3-5-6/h1-5H,(H4,14,15,19)(H3,16,17,20,21)"	""	""	""
"7616"	"phenazopyridine"	""	"Synthetic organic"	"yes"	""	""	""	"223365951"	"4756"	""	""	"CHEMBL1625467"	""	""	""	""	"3-phenyldiazenylpyridine-2,6-diamine"	"phenazopyridine"	"NC-150|Pyridium&reg;|W-1655"	"Nc1ccc(c(n1)N)N=Nc1ccccc1"	"QPFYXYFORQJZEC-UHFFFAOYSA-N"	"InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)"	""	""	""
"4282"	"phencyclidine"	""	"Synthetic organic"	""	""	""	""	"178101099"	"6468"	""	""	"CHEMBL275528"	""	""	""	""	"1-(1-phenylcyclohexyl)piperidine"	"phencyclidine"	""	"C1CCC(CC1)(N1CCCCC1)c1ccccc1"	"JTJMJGYZQZDUJJ-UHFFFAOYSA-N"	"InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2"	""	""	""
"14332"	"phendimetrazine"	""	"Synthetic organic"	"yes"	""	""	""	"523352124"	"30487"	""	""	"CHEMBL1615439"	""	""	""	""	"(2S,3S)-3,4-dimethyl-2-phenylmorpholine"	""	"Bontril&reg;|mephenmetrazine"	"C[C@@H]1N(CCO[C@H]1C2=CC=CC=C2)C"	"MFOCDFTXLCYLKU-CMPLNLGQSA-N"	"InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1"	""	""	""
"7266"	"phenelzine"	""	"Synthetic organic"	"yes"	""	""	""	"178103840"	"3675"	""	""	"CHEMBL1089"	""	""	""	""	"(2-phenylethyl)hydrazine"	"phenelzine"	"Nardil&reg;|phenelzine sulfate"	"NNCCc1ccccc1"	"RMUCZJUITONUFY-UHFFFAOYSA-N"	"InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2"	""	""	""
"12275"	"pheneticillin"	""	"Synthetic organic"	"yes"	""	""	""	"473153863"	"272833"	""	""	"CHEMBL1614637"	""	""	""	""	"(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[2-(phenoxy)propanoylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"pheneticillin"	"alfacilin|Broxil&reg;|feneticillin|phenethicillin"	"CC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)Oc1ccccc1"	"NONJJLVGHLVQQM-JHXYUMNGSA-N"	"InChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)/t9?,11-,12+,15-/m1/s1"	""	""	"yes"
"6838"	"phenindione"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103444"	"4760"	""	""	"CHEMBL711"	""	""	""	""	"2-phenyl-2,3-dihydro-1H-indene-1,3-dione"	"phenindione"	"Dindevan&reg;|phenylindanedione"	"O=C1C(c2ccccc2)C(=O)c2c1cccc2"	"NFBAXHOPROOJAW-UHFFFAOYSA-N"	"InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H"	""	""	""
"7267"	"pheniramine"	""	"Synthetic organic"	"yes"	""	""	""	"178103841"	"4761"	""	""	"CHEMBL1193"	""	""	""	""	"dimethyl[3-phenyl-3-(pyridin-2-yl)propyl]amine"	"pheniramine"	""	"CN(CCC(c1ccccn1)c1ccccc1)C"	"IJHNSHDBIRRJRN-UHFFFAOYSA-N"	"InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3"	""	""	""
"2804"	"phenobarbital"	""	"Synthetic organic"	"yes"	""	""	""	"135650817"	"4763"	""	""	"CHEMBL40"	""	""	""	""	"5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione"	"phenobarbital"	"fenobarbital|Luminal&reg;|phenobarb|phenobarbital sodium|phenobarbitone|phenylethylbarbiturate"	"CCC1(C(=O)NC(=O)NC1=O)c1ccccc1"	"DDBREPKUVSBGFI-UHFFFAOYSA-N"	"InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)"	""	""	""
"7268"	"phenoxybenzamine"	""	"Synthetic organic"	"yes"	""	""	""	"178103842"	"4768"	""	""	"CHEMBL753"	""	""	""	""	"benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine"	"phenoxybenzamine"	"Dibenzyline&reg;|phenoxybenzamine hydrochloride"	"ClCCN(C(COc1ccccc1)C)Cc1ccccc1"	"QZVCTJOXCFMACW-UHFFFAOYSA-N"	"InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3"	""	""	""
"10920"	"phenoxymethylpenicillin"	""	"Natural product"	"yes"	""	""	""	"405560361"	"6869"	""	""	"CHEMBL615"	""	""	""	""	""	"phenoxymethylpenicillin"	"Oracillin&reg;|PC Pen VK&reg;|Pen-V&reg;|penicillin V|Penicillin VK|PNV"	"O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1"	"BPLBGHOLXOTWMN-MBNYWOFBSA-N"	"InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1"	""	""	"yes"
"6839"	"phenprocoumon"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103445"	"54680692"	""	""	""	""	""	""	""	"4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one"	"phenprocoumon"	"Liquamar&reg;|phenprocoumarol"	"CCC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1"	"DQDAYGNAKTZFIW-UHFFFAOYSA-N"	"InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3"	""	""	""
"7612"	"phensuximide"	""	"Synthetic organic"	""	""	""	""	"223365947"	"6839"	""	""	"CHEMBL797"	""	""	""	""	"1-methyl-3-phenylpyrrolidine-2,5-dione"	"phensuximide"	"Lifene&reg;|Milontin&reg;"	"CN1C(=O)CC(C1=O)c1ccccc1"	"WLWFNJKHKGIJNW-UHFFFAOYSA-N"	"InChI=1S/C11H11NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3"	""	""	""
"7269"	"phentermine"	""	"Synthetic organic"	"yes"	""	""	""	"178103843"	"4771"	""	""	"CHEMBL1574"	""	""	""	""	"2-methyl-1-phenylpropan-2-amine"	"phentermine"	"Adipex-P&reg;|Ionamin&reg;|phentermine hydrochloride"	"CC(Cc1ccccc1)(N)C"	"DHHVAGZRUROJKS-UHFFFAOYSA-N"	"InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3"	""	""	""
"502"	"phentolamine"	""	"Synthetic organic"	"yes"	""	""	""	"135650818"	"5775"	""	""	"CHEMBL597"	""	""	""	""	"3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphenyl)amino]phenol"	"phentolamine"	"dibasin|fentolamin|Regitine&reg;|Rogitine&reg;|Ryzumvi&reg; (opthalmic solution)"	"Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1"	"MRBDMNSDAVCSSF-UHFFFAOYSA-N"	"InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)"	""	""	""
"6192"	"phenylacetyl-Ala,DTrp-phenthylamide"	""	"Synthetic organic"	""	""	""	""	"178102813"	"73755184"	""	""	""	""	""	""	""	"N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxopropan-2-yl]benzamide"	""	""	"CC(C(=O)NC(C(=O)NCCc1ccccc1)Cc1c[nH]c2c1cccc2)NC(=O)c1ccccc1"	"OXMOOJYZUSQLNA-UHFFFAOYSA-N"	"InChI=1S/C29H30N4O3/c1-20(32-28(35)22-12-6-3-7-13-22)27(34)33-26(18-23-19-31-25-15-9-8-14-24(23)25)29(36)30-17-16-21-10-4-2-5-11-21/h2-15,19-20,26,31H,16-18H2,1H3,(H,30,36)(H,32,35)(H,33,34)"	""	""	""
"6564"	"phenylacetyl-Arg-Val-Arg-4-amidinobenzylamide"	""	"Synthetic organic"	""	""	""	""	"178103178"	"45486355"	""	""	"CHEMBL566340"	""	""	""	""	"(2S)-N-[(4-carbamimidoylphenyl)methyl]-5-[(diaminomethylidene)amino]-2-[(2S)-2-[(2S)-5-[(diaminomethylidene)amino]-2-(2-phenylacetamido)pentanamido]-3-methylbutanamido]pentanamide"	""	"compound 15 [PMID:20038105]"	"NC(=NCCC[C@@H](C(=O)NCc1ccc(cc1)C(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)Cc1ccccc1)CCCN=C(N)N)N"	"YGMAIAXBJLVVLI-KLJDGLGGSA-N"	"InChI=1S/C33H50N12O4/c1-20(2)27(45-30(48)25(11-7-17-41-33(38)39)43-26(46)18-21-8-4-3-5-9-21)31(49)44-24(10-6-16-40-32(36)37)29(47)42-19-22-12-14-23(15-13-22)28(34)35/h3-5,8-9,12-15,20,24-25,27H,6-7,10-11,16-19H2,1-2H3,(H3,34,35)(H,42,47)(H,43,46)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t24-,25-,27-/m0/s1"	""	""	""
"4283"	"phenylacetylrinvanil"	""	"Synthetic organic"	""	""	""	""	"178101100"	"57340639"	""	""	""	""	""	""	""	"(7R,9E)-17-{[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl}heptadec-9-en-7-yl 2-phenylacetate"	""	"12-Phenylacetyl-ricinoleoyl-vanillamide|compound 1e [PMID: 15356216]|IDN5890|PhAR"	"CCCCCC[C@@H](OC(=O)Cc1ccccc1)C/C=C/CCCCCCCC(=O)NCc1ccc(c(c1)OC)O"	"LXLBUUJANYSIKU-SSBKBLCMSA-N"	"InChI=1S/C34H49NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h10,12-14,16,18-19,23-25,30,36H,3-9,11,15,17,20-22,26-27H2,1-2H3,(H,35,37)/b16-10+/t30-/m1/s1"	""	""	""
"14476"	"phenylalanine arginine beta-naphthylamide"	""	"Synthetic organic"	""	""	""	""	"528429797"	"443301"	""	""	"CHEMBL56252"	""	""	""	""	"(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)-N-naphthalen-2-ylpentanamide"	""	"MC-207,110|PA&beta;N|phenylalanyl arginyl &beta;-naphthylamide"	"C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2)N"	"ZNHUFUZDUQRKBB-VXKWHMMOSA-N"	"InChI=1S/C25H30N6O2/c26-21(15-17-7-2-1-3-8-17)23(32)31-22(11-6-14-29-25(27)28)24(33)30-20-13-12-18-9-4-5-10-19(18)16-20/h1-5,7-10,12-13,16,21-22H,6,11,14-15,26H2,(H,30,33)(H,31,32)(H4,27,28,29)/t21-,22-/m0/s1"	""	""	"yes"
"9201"	"phenylarsine oxide"	""	"Synthetic organic"	""	""	""	""	"315661277"	"4778"	""	""	"CHEMBL477683"	""	""	""	""	"arsorosobenzene"	""	"arzene|oxophenylarsine|PAO|phenylarsenoxide"	"O=[As]c1ccccc1"	"BQVCCPGCDUSGOE-UHFFFAOYSA-N"	"InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H"	""	""	""
"12455"	"Phenyl-&beta;-D-glucopyranoside"	""	"Natural product"	""	""	""	""	"479821245"	"65080"	""	""	"CHEMBL4105357"	""	""	""	""	"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol"	""	"Aryl beta-D-glucoside|Phenyl beta-D-glucopyranoside|Phenyl beta-D-glucoside"	"C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O"	"NEZJDVYDSZTRFS-RMPHRYRLSA-N"	"InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12-/m1/s1"	""	""	""
"7270"	"phenylbutazone"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103844"	"4781"	""	""	"CHEMBL101"	""	""	""	""	"4-butyl-1,2-diphenylpyrazolidine-3,5-dione"	"phenylbutazone"	"Butazolidine&reg;"	"CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3"	"VYMDGNCVAMGZFE-UHFFFAOYSA-N"	"InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3"	"yes"	""	""
"8480"	"phenylbutyrate"	""	"Synthetic organic"	"yes"	""	""	""	"252166688"	"4775"	""	""	"CHEMBL1469"	""	""	""	""	"4-Phenylbutanoic acid"	""	"4-phenylbutanoic acid|Ammonaps&reg;|Buphenyl&reg;|gamma-phenylbutyric acid|triButyrate"	"OC(=O)CCCc1ccccc1"	"OBKXEAXTFZPCHS-UHFFFAOYSA-N"	"InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)"	""	""	""
"485"	"phenylephrine"	""	"Synthetic organic"	"yes"	""	""	""	"135650819"	"6041"	""	""	"CHEMBL1215"	""	""	""	""	"3-[(1R)-1-hydroxy-2-methylaminoethyl]phenol"	"phenylephrine"	"m-oxedrine|metasynephrine"	"CNC[C@@H](c1cccc(c1)O)O"	"SONNWYBIRXJNDC-VIFPVBQESA-N"	"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1"	""	""	""
"4284"	"phenylglycine-01"	""	"Synthetic organic"	""	""	""	""	"178101101"	"4695397"	""	""	"CHEMBL1949980"	""	""	""	""	"2-[2-(1H-indol-3-yl)-N-methylacetamido]-2-phenyl-N-[4-(propan-2-yl)phenyl]acetamide"	""	"PG 01|PG-01"	"O=C(C(N(C(=O)Cc1c[nH]c2c1cccc2)C)c1ccccc1)Nc1ccc(cc1)C(C)C"	"PQAYCXMQTUEDRD-UHFFFAOYSA-N"	"InChI=1S/C28H29N3O2/c1-19(2)20-13-15-23(16-14-20)30-28(33)27(21-9-5-4-6-10-21)31(3)26(32)17-22-18-29-25-12-8-7-11-24(22)25/h4-16,18-19,27,29H,17H2,1-3H3,(H,30,33)"	""	""	""
"12496"	"phenylthiocarbamide"	""	"Natural product"	""	""	""	""	"479821286"	"676454"	""	""	"CHEMBL263376"	""	""	""	""	"phenylthiourea"	""	"1-Phenylthiourea|N-Phenylthiourea|phenylthiourea"	"C1=CC=C(C=C1)NC(=S)N"	"FULZLIGZKMKICU-UHFFFAOYSA-N"	"InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)"	""	""	""
"2624"	"phenytoin"	""	"Synthetic organic"	"yes"	""	""	""	"53801032"	"1775"	""	""	"CHEMBL16"	""	""	""	""	"5,5-di(phenyl)imidazolidine-2,4-dione"	"phenytoin"	"Dilantin&reg;|Epanutin&reg;|Phenytex&reg;|phenytoin sodium"	"O=C1NC(=O)NC1(c1ccccc1)c1ccccc1"	"CXOFVDLJLONNDW-UHFFFAOYSA-N"	"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)"	""	""	""
"615"	"[Phe<sup>13</sup>]bombesin"	""	"Peptide"	""	""	""	""	"135652393"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1297"	"[Phe<sup>13</sup>,Tyr<sup>19</sup>]MCH"	""	"Peptide"	""	""	""	""	"135652394"	"0"	""	""	""	""	""	""	""	""	""	"[Phe<sup>13</sup>,Tyr<sup>19</sup>]-melanin-concentrating hormone"	""	""	""	""	""	""
"1807"	"[Phe<sup>23</sup>]PTH-(1-34) (human)"	""	"Peptide"	""	""	""	""	"135652395"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1454"	"[Phe<sup>3</sup>,Leu<sup>13</sup>]motilin (human)"	""	"Peptide"	""	""	""	""	"135652397"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2178"	"[Phe<sup>3</sup>]OT"	""	"Peptide"	""	""	""	""	"135652398"	"164712"	""	""	"CHEMBL3272682"	""	""	""	""	"(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide"	""	"[Phe<sup>3</sup>]oxytocin|oxypressin"	"CC(C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CCC(=O)N)Cc1ccccc1)C"	"WTHKESHUHBGMGM-DZCXQCEKSA-N"	"InChI=1S/C46H64N12O12S2/c1-24(2)17-30(40(64)51-21-38(50)62)56-45(69)35-9-6-16-58(35)46(70)34-23-72-71-22-28(47)39(63)53-31(19-26-10-12-27(59)13-11-26)43(67)54-32(18-25-7-4-3-5-8-25)42(66)52-29(14-15-36(48)60)41(65)55-33(20-37(49)61)44(68)57-34/h3-5,7-8,10-13,24,28-35,59H,6,9,14-23,47H2,1-2H3,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,66)(H,53,63)(H,54,67)(H,55,65)(H,56,69)(H,57,68)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1"	""	""	""
"3846"	"[Phe<sup>8</sup>,<i>&psi;</i>(CH<sub>2</sub>-NH)Arg<sup>9</sup>]BK"	""	"Peptide"	""	""	""	""	"178100686"	"0"	""	""	""	""	""	""	""	""	""	"[Phe<sup>8</sup>,<i>&psi;</i>(CH<sub>2</sub>-NH)Arg<sup>9</sup>]bradykinin"	""	""	""	""	""	""
"4397"	"PHI"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651851"	"0"	"P32648|P01283"	"ENSMUSG00000019772|ENSRNOG00000018808"	""	""	""	""	""	""	""	"intestinal peptide PHI-27|peptide histidine isoleucine|PHI-27"	""	""	""	""	""	""
"2273"	"PHI"	"Pig"	"Peptide"	""	""	""	""	"135652399"	"0"	""	""	""	""	""	""	""	""	""	"peptide histidine-isoleucine"	""	""	""	""	""	""
"10954"	"phleomycin"	""	"Natural product"	""	""	""	""	"405560395"	"72511"	""	""	""	""	""	""	""	"2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2S,3R,4R,5S)-4-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-oxobutanoyl]amino]ethyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide"	""	"NSC 61586|NSC-61586"	"OC[C@@H]1O[C@@H](OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCC2=NC(CS2)c2scc(n2)C(=O)N)C(=O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2[nH]cnc2)[C@@]([C@H]([C@@H]1O)O)(C)O[C@@H]1OC(CO)[C@@H]([C@]([C@H]1O)(O)C(=O)N)O"	"QRBLKGHRWFGINE-UGWAGOLRSA-N"	"InChI=1S/C51H75N17O21S2/c1-16-29(65-41(68-38(16)54)21(8-27(53)72)60-9-20(52)39(55)78)44(82)67-31(34(22-10-58-15-61-22)88-49-50(5,36(76)33(74)25(11-69)87-49)89-47-37(77)51(85,48(57)84)35(75)26(12-70)86-47)45(83)62-18(3)32(73)17(2)42(80)66-30(19(4)71)43(81)59-7-6-28-63-24(14-90-28)46-64-23(13-91-46)40(56)79/h10,13,15,17-18,20-21,24-26,30-37,47,49,60,69-70,73-77,85H,6-9,11-12,14,52H2,1-5H3,(H2,53,72)(H2,55,78)(H2,56,79)(H2,57,84)(H,58,61)(H,59,81)(H,62,83)(H,66,80)(H,67,82)(H2,54,65,68)/t17?,18?,20?,21?,24?,25-,26?,30?,31?,32?,33+,34?,35-,36-,37-,47-,49-,50-,51+/m0/s1"	""	""	"yes"
"4285"	"phloretin"	""	"Natural product"	""	""	""	""	"178101102"	"4788"	""	""	"CHEMBL45068"	""	""	""	""	"3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one"	""	""	"Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O"	"VGEREEWJJVICBM-UHFFFAOYSA-N"	"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2"	""	""	""
"4757"	"phlorizin"	""	"Natural product"	""	""	""	""	"178101467"	"6072"	""	""	"CHEMBL245067"	""	""	""	""	"1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one"	""	""	"OC[C@H]1O[C@@H](Oc2cc(O)cc(c2C(=O)CCc2ccc(cc2)O)O)[C@@H]([C@H]([C@@H]1O)O)O"	"IOUVKUPGCMBWBT-QNDFHXLGSA-N"	"InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1"	""	""	""
"2274"	"PHM"	"Human"	"Peptide"	""	""	""	""	"135651852"	"0"	"P01282"	"ENSG00000146469"	""	""	""	""	""	""	""	"peptide histidine-methionine"	""	""	""	""	""	""
"9086"	"pholcodine"	""	"Synthetic organic"	"yes"	""	""	""	"315661171"	"5311356"	""	""	"CHEMBL2105224"	""	""	""	""	"(4R,4aR,7S,7aR,12bS)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-o"	"pholcodine"	"Covonia Dry Cough&reg;|Galenphol&reg;|Pavacol-D&reg;"	"CN1CC[C@@]23[C@@H]4[C@H]1Cc1c3c(O[C@H]2[C@H](C=C4)O)c(cc1)OCCN1CCOCC1"	"GPFAJKDEDBRFOS-FKQDBXSBSA-N"	"InChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3/t16-,17+,18-,22-,23-/m0/s1"	""	""	""
"2341"	"phorbol 12-myristate 13-acetate"	""	"Synthetic organic"	""	""	""	""	"135650820"	"27924"	""	""	"CHEMBL279115"	""	""	""	""	"(1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-14-yl tetradecanoate"	""	"12-<i>O</i>-tetradecanoylphorbol-13-acetate|PMA|tetradecanoyl-&beta;-phorbol acetate|TPA"	"CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]([C@H]3[C@]1(OC(=O)C)C3(C)C)C=C(C[C@]1([C@H]2C=C(C1=O)C)O)CO"	"PHEDXBVPIONUQT-RGYGYFBISA-N"	"InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1"	""	""	""
"2793"	"phosphatidyl (3,4) inositol bisphosphate"	""	"Metabolite"	""	""	""	""	"178100232"	"643960"	""	""	""	""	""	""	""	"[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate"	""	"D-myo-PI[3,4]P2|P3,4I|phosphatidylinositol (3,4)-bisphosphate|PtdIns(3,4)P<sub>2</sub>"	"CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O[C@H]1[C@H](O)[C@@H](O)[C@@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O"	"HKWJHKSHEWVOSS-OMDJCSNQSA-N"	"InChI=1S/C41H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h33,36-41,44-46H,3-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/t33-,36-,37-,38+,39+,40+,41+/m1/s1"	""	""	""
"2794"	"phosphatidyl (3,5) inositol bisphosphate"	""	"Metabolite"	""	""	""	""	"178100233"	"643961"	""	""	""	""	""	""	""	"[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,4,6-trihydroxy-3,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate"	""	"phosphatidylinositol 3,5-bisphosphate|PI(3,5)P<sub>2</sub>"	"CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OC1[C@H](O)[C@H](OP(=O)(O)O)C([C@@H]([C@H]1O)OP(=O)(O)O)O)O"	"UZMPYXSDDZXMAI-OHKKONBVSA-N"	"InChI=1S/C41H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-41-37(45)39(58-61(47,48)49)36(44)40(38(41)46)59-62(50,51)52/h33,36-41,44-46H,3-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/t33-,36?,37-,38-,39-,40+,41?/m1/s1"	""	""	""
"2796"	"phosphatidylethanolamine"	""	"Metabolite"	""	""	""	""	"53801035"	"446872"	""	""	""	""	""	""	""	"[(2R)-1-(2-aminoethoxy-hydroxyphosphoryl)oxy-3-pentadecanoyloxypropan-2-yl] icosanoate"	""	"cephalin|PE"	"CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COP(=O)(OCCN)O)COC(=O)CCCCCCCCCCCCCC"	"NJGIRBISCGPRPF-KXQOOQHDSA-N"	"InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1"	""	""	""
"3638"	"phosphatidylserine"	""	"Metabolite"	""	""	""	""	"135651545"	"6323481"	""	""	""	""	""	""	""	"(2S)-2-amino-3-[[(2R)-2-butanoyloxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid"	""	"distearoylphosphatidylserine|PS"	"CCCC(=O)O[C@@H](COP(=O)(OC[C@@H](C(=O)O)N)O)COC(=O)CC"	"UNJJBGNPUUVVFQ-ZJUUUORDSA-N"	"InChI=1S/C13H24NO10P/c1-3-5-12(16)24-9(6-21-11(15)4-2)7-22-25(19,20)23-8-10(14)13(17)18/h9-10H,3-8,14H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+/m1/s1"	""	""	""
"4692"	"phosphoenolpyruvic acid"	""	"Metabolite"	""	""	""	""	"178101405"	"1005"	""	""	"CHEMBL1235228"	""	""	""	""	"2-(phosphonooxy)prop-2-enoic acid"	""	"PEP|phosphoenolpyruvate"	"OC(=O)C(=C)OP(=O)(O)O"	"DTBNBXWJWCWCIK-UHFFFAOYSA-N"	"InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)"	""	""	""
"6628"	"phosphoethanolamine"	""	"Synthetic organic"	""	""	""	""	"178103241"	"7059434"	""	""	""	""	""	""	""	"2-azaniumylethyl phosphate"	""	"2-ammonioethyl phosphate|<i>O</i>-phosphonatoethanaminium"	"[NH3+]CCOP(=O)([O-])[O-]"	"SUHOOTKUPISOBE-UHFFFAOYSA-M"	"InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)/p-1"	""	""	""
"11653"	"phosphoramidon"	""	"Synthetic organic"	""	""	""	""	"442878679"	"445114"	""	""	"CHEMBL479579"	""	""	""	""	""	""	""	"C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)O)O)O)O"	"ZPHBZEQOLSRPAK-XLCYBJAPSA-N"	"InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1"	""	""	""
"2582"	"phrixotoxin 1"	""	"Peptide"	""	""	""	""	"53801042"	"0"	"P61230"	""	""	""	""	""	""	""	""	"PaTX 1"	""	""	""	""	""	""
"2583"	"phrixotoxin 2"	""	"Peptide"	""	""	""	""	"135652400"	"0"	"P61231"	""	""	""	""	""	""	""	""	"&kappa;-theraphotoxin-Ps1b|&kappa;-TRTX-Ps1b|PaTX 2|PaTX2"	""	""	""	""	""	""
"8009"	"PHT-427"	""	"Synthetic organic"	""	""	""	""	"249565689"	"44240850"	""	""	"CHEMBL595583"	""	""	""	""	"4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide"	""	"PHT 427|PHT427"	"CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1"	"BYWWNRBKPCPJMG-UHFFFAOYSA-N"	"InChI=1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)"	""	""	""
"13907"	"phthalylsulfathiazole"	""	"Synthetic organic"	""	""	""	""	"513757592"	"4806"	""	""	"CHEMBL1524273"	""	""	""	""	"2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid"	"phthalylsulfathiazole"	"sulfathalidine"	"C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)O"	"PBMSWVPMRUJMPE-UHFFFAOYSA-N"	"InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)"	""	""	"yes"
"3461"	"PHTPP"	""	"Synthetic organic"	""	""	""	""	"178100457"	"11201035"	""	""	"CHEMBL191066"	""	""	""	""	"4-[2-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenol"	""	""	"Oc1ccc(cc1)c1c(nn2c1nc(cc2C(F)(F)F)C(F)(F)F)c1ccccc1"	"AEZPAUSGTAHLOQ-UHFFFAOYSA-N"	"InChI=1S/C20H11F6N3O/c21-19(22,23)14-10-15(20(24,25)26)29-18(27-14)16(11-6-8-13(30)9-7-11)17(28-29)12-4-2-1-3-5-12/h1-10,30H"	""	""	""
"12144"	"PHTPP-1304"	""	"Synthetic organic"	""	""	""	""	"472319266"	"153397130"	""	""	""	""	""	""	""	"(2R)-1-[2-[2-[2-[4-[2-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenoxy]ethoxy]ethoxy]ethylamino]-3-[4-phenylmethoxy-3-(3-phenylpropoxy)phenoxy]propan-2-ol"	""	""	"O[C@H](CNCCOCCOCCOc1ccc(cc1)c1c2nc(cc(n2nc1c1ccccc1)C(F)(F)F)C(F)(F)F)COc1cc(OCCCc2ccccc2)c(OCc2ccccc2)cc1"	"RFLBGKJLIDOOAA-RRHRGVEJSA-N"	"InChI=1S/C51H50F6N4O7/c52-50(53,54)45-32-46(51(55,56)57)61-49(59-45)47(48(60-61)39-16-8-3-9-17-39)38-18-20-41(21-19-38)65-30-29-64-28-27-63-26-24-58-33-40(62)35-67-42-22-23-43(68-34-37-13-6-2-7-14-37)44(31-42)66-25-10-15-36-11-4-1-5-12-36/h1-9,11-14,16-23,31-32,40,58,62H,10,15,24-30,33-35H2/t40-/m1/s1"	""	""	""
"8883"	"PhTX-11"	""	"Synthetic organic"	""	""	""	""	"252827540"	"10047720"	""	""	"CHEMBL16044"	""	""	""	""	"N-[(2S)-1-(11-aminoundecylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide"	""	"compound 7e"	"CCCC(=O)N[C@H](C(=O)NCCCCCCCCCCCN)Cc1ccc(cc1)O"	"OZVULFLAPUPPFK-QFIPXVFZSA-N"	"InChI=1S/C24H41N3O3/c1-2-12-23(29)27-22(19-20-13-15-21(28)16-14-20)24(30)26-18-11-9-7-5-3-4-6-8-10-17-25/h13-16,22,28H,2-12,17-19,25H2,1H3,(H,26,30)(H,27,29)/t22-/m0/s1"	""	""	""
"3706"	"PHV"	"Human"	"Peptide"	""	""	""	""	"135651853"	"0"	"P01282"	"ENSG00000146469"	""	""	""	""	""	""	""	"intestinal peptide PHV-42|peptide histidine valine"	""	""	""	""	""	""
"2275"	"PHV"	"Rat"	"Peptide"	""	""	""	""	"135651854"	"0"	"P01283"	"ENSRNOG00000018808"	""	""	""	""	""	""	""	"intestinal peptide PHV-42|peptide histidine-valine"	""	""	""	""	""	""
"7359"	"p-hydroxyatorvastatin"	""	"Synthetic organic"	""	""	""	""	"178103931"	"9851106"	""	""	""	""	""	""	""	"(3R,5R)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid"	""	""	"O[C@@H](C[C@H](CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccc(cc1)O"	"SOZOATLLFFVAPM-KAYWLYCHSA-N"	"InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-26(38)18-27(39)19-28(40)41/h3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t26-,27-/m1/s1"	""	""	""
"6166"	"phyllolitorin"	""	"Peptide"	""	""	""	""	"178102787"	"155817489"	"P08947"	""	""	""	""	""	""	""	""	"[Phe8]-phyllolitorin"	"CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)O"	"SNQDMSYYFPNXBD-QLGZLCMKSA-N"	"InChI=1S/C49H71N11O12S/c1-26(2)20-35(57-43(65)32(50)16-17-39(51)62)45(67)59-37(22-30-23-52-33-15-11-10-14-31(30)33)44(66)54-28(5)42(64)60-41(27(3)4)48(70)53-24-40(63)55-38(25-61)47(69)58-36(21-29-12-8-7-9-13-29)46(68)56-34(49(71)72)18-19-73-6/h7-15,23,26-28,32,34-38,41,52,61H,16-22,24-25,50H2,1-6H3,(H2,51,62)(H,53,70)(H,54,66)(H,55,63)(H,56,68)(H,57,65)(H,58,69)(H,59,67)(H,60,64)(H,71,72)/t28-,32-,34-,35-,36-,37-,38-,41-/m0/s1"	""	""	""
"2093"	"phyllomedusin"	""	"Peptide"	""	""	""	""	"135652401"	"168489"	"P08610"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2094"	"physalaemin"	""	"Peptide"	""	""	""	""	"135652402"	"17268"	"P08615"	""	""	""	""	""	""	"4-[2-[[4-amino-1-[[6-amino-1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-[2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoylamino]butanoic acid"	""	""	"NCCCCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CCSC)CC(C)C)Cc1ccc(cc1)O)Cc1ccccc1)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C1CCC(=O)N1)C)CC(=O)O)CC(=O)N"	"SHSUJLMLURFKID-UHFFFAOYSA-N"	"InChI=1S/C58H84N14O16S/c1-31(2)25-39(54(84)66-36(49(61)79)21-24-89-4)65-47(76)30-62-51(81)40(27-34-15-17-35(73)18-16-34)68-55(85)41(26-33-11-6-5-7-12-33)69-53(83)37(13-8-9-22-59)67-56(86)42(28-45(60)74)70-57(87)44-14-10-23-72(44)58(88)43(29-48(77)78)71-50(80)32(3)63-52(82)38-19-20-46(75)64-38/h5-7,11-12,15-18,31-32,36-44,73H,8-10,13-14,19-30,59H2,1-4H3,(H2,60,74)(H2,61,79)(H,62,81)(H,63,82)(H,64,75)(H,65,76)(H,66,84)(H,67,86)(H,68,85)(H,69,83)(H,70,87)(H,71,80)(H,77,78)"	""	""	""
"6598"	"physostigmine"	""	"Natural product"	"yes"	""	""	""	"178103211"	"5983"	""	""	"CHEMBL94"	""	""	""	""	"[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate"	""	"Antilirium&reg;|eserine|physostigmine salicylate"	"CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C"	"PIJVFDBKTWXHHD-HIFRSBDPSA-N"	"InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1"	""	""	""
"2813"	"phytanic acid"	""	"Metabolite"	""	""	""	""	"135651546"	"26840"	""	""	""	""	""	""	""	"3,7,11,15-Tetramethylhexadecanoic acid"	""	""	"CC(CCCC(CC(=O)O)C)CCCC(CCCC(C)C)C"	"RLCKHJSFHOZMDR-UHFFFAOYSA-N"	"InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)"	""	""	""
"13407"	"phytocannabinoid 6 [PMID: 38408345]"	""	"Natural product"	""	""	""	""	"496703377"	"171663351"	""	""	""	""	""	""	""	"2-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]-5-pentylbenzene-1,3-diol"	""	"6′-Hydroxy-&Delta;<sup>7′,8′</sup>-dihydrocannabigerol"	"CCCCCC1=CC(O)=C(C/C=C(\C)/CCC(O)C(C)=C)C(O)=C1"	"AXEVFBMIKLHKQY-CXUHLZMHSA-N"	"InChI=1S/C21H32O3/c1-5-6-7-8-17-13-20(23)18(21(24)14-17)11-9-16(4)10-12-19(22)15(2)3/h9,13-14,19,22-24H,2,5-8,10-12H2,1,3-4H3/b16-9+"	""	""	""
"2922"	"phytosphingosine 1-phosphate"	""	"Synthetic organic"	""	""	""	""	"135650822"	"10883829"	""	""	""	""	""	""	""	"[(2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl] dihydrogen phosphate"	""	"phytoS1P"	"CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COP(=O)(O)O)N)O)O"	"AYGOSKULTISFCW-KSZLIROESA-N"	"InChI=1S/C18H40NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18(21)16(19)15-25-26(22,23)24/h16-18,20-21H,2-15,19H2,1H3,(H2,22,23,24)/t16-,17+,18-/m0/s1"	""	""	""
"5814"	"PI1"	""	"Synthetic organic"	""	""	""	""	"178102439"	"46203026"	""	""	"CHEMBL1801361"	""	""	""	""	"3-[5-(4-chlorophenyl)-6-methoxyimidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide"	""	""	"CCN(C(=O)CCC1(c2ccc(cc2)Cl)n2ccnc2c2c1c(OC)ccc2)CC"	"YBTRRYYNHWVJLG-UHFFFAOYSA-N"	"InChI=1S/C24H26ClN3O2/c1-4-27(5-2)21(29)13-14-24(17-9-11-18(25)12-10-17)22-19(7-6-8-20(22)30-3)23-26-15-16-28(23)24/h6-12,15-16H,4-5,13-14H2,1-3H3"	""	""	""
"5701"	"PI-103"	""	"Synthetic organic"	""	""	""	""	"178102328"	"9884685"	""	""	"CHEMBL573339"	""	""	""	""	"3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl]phenol"	""	"compound 2 [PMID: 17601739]|PI 103|PIK 103"	"Oc1cccc(c1)c1nc(N2CCOCC2)c2c(n1)c1cccnc1o2"	"TUVCWJQQGGETHL-UHFFFAOYSA-N"	"InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2"	""	""	""
"8242"	"PI-3065"	""	"Synthetic organic"	""	""	""	""	"249565922"	"24937012"	""	""	""	""	""	""	""	"4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine"	""	"PI 3065"	"Fc1ccc2c(c1c1nc3cc(sc3c(n1)N1CCOCC1)CN1CCN(CC1)CC1CC1)cc[nH]2"	"YDNOHCOYQVZOMC-UHFFFAOYSA-N"	"InChI=1S/C27H31FN6OS/c28-21-3-4-22-20(5-6-29-22)24(21)26-30-23-15-19(17-33-9-7-32(8-10-33)16-18-1-2-18)36-25(23)27(31-26)34-11-13-35-14-12-34/h3-6,15,18,29H,1-2,7-14,16-17H2"	""	""	""
"6023"	"PI 3-Kg inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102645"	"5289247"	""	""	"CHEMBL568150"	""	""	""	""	"(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione"	""	"AS 605240|AS-605240"	"O=C1NC(=O)/C(=C/c2ccc3c(c2)nccn3)/S1"	"SQWZFLMPDUSYGV-POHAHGRESA-N"	"InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-"	""	""	""
"6024"	"PI 3-Kg inhibitor II"	""	"Synthetic organic"	""	""	""	""	"178102646"	"5287855"	""	""	"CHEMBL1231533"	""	""	""	""	"(5Z)-5-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione"	""	"AS 604850|PI 3-Kgamma inhibitor II|PI3Kgamma inhibitor"	"O=C1NC(=O)/C(=C/c2ccc3c(c2)OC(O3)(F)F)/S1"	"SRLVNYDXMUGOFI-YWEYNIOJSA-N"	"InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)/b8-4-"	""	""	""
"14422"	"PI3Kα/δ degrader D5"	""	"Synthetic organic"	""	""	""	""	"523352214"	"177924597"	""	""	""	""	""	""	""	"2-Amino-N-(8-(3-(4-(9-((2-(2,6-dioxopiperidin-3-yl)-3-oxoisoindolin-4-yl)amino)-9-oxononyl)piperazin-1-yl)propoxy)-7-methoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyrimidine-5-carboxamide"	""	""	"COC1=C2C(C3=NCCN3C(NC(C4=CN=C(N)N=C4)=O)=N2)=CC=C1OCCCN5CCN(CCCCCCCCC(NC6=C7C(N(C8CCC(NC8=O)=O)CC7=CC=C6)=O)=O)CC5"	"NDVXFPTYOZTPTI-UHFFFAOYSA-N"	"InChI=1S/C45H56N12O7/c1-63-39-34(15-13-31-38(39)52-45(56-20-17-47-40(31)56)53-41(60)30-26-48-44(46)49-27-30)64-25-9-19-55-23-21-54(22-24-55)18-7-5-3-2-4-6-12-35(58)50-32-11-8-10-29-28-57(43(62)37(29)32)33-14-16-36(59)51-42(33)61/h8,10-11,13,15,26-27,33H,2-7,9,12,14,16-25,28H2,1H3,(H,50,58)(H2,46,48,49)(H,51,59,61)(H,52,53,60)"	""	""	""
"225"	"piboserod"	""	"Synthetic organic"	""	""	""	""	"135650823"	"177336"	""	""	"CHEMBL356359"	""	""	""	""	"N-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide"	"piboserod"	"SB 207256|SB 207266|SB 207266-A|SB207256"	"CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2"	"KVCSJPATKXABRQ-UHFFFAOYSA-N"	"InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)"	""	""	""
"11268"	"pibrentasvir"	""	"Synthetic organic"	"yes"	""	""	""	"434321703"	"58031952"	""	""	"CHEMBL3545123"	""	""	""	""	""	"pibrentasvir"	"ABT-530|ABT530|Mavyret&reg; (glecaprevir + pibrentasvir)"	"COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1[nH]c2c(n1)cc(c(c2)[C@H]1CC[C@@H](N1c1cc(F)c(c(c1)F)N1CCC(CC1)c1ccc(cc1)F)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@H]([C@H](OC)C)NC(=O)OC)F)[C@H](OC)C"	"VJYSBPDEJWLKKJ-NLIMODCCSA-N"	"InChI=1S/C57H65F5N10O8/c1-29(77-3)49(67-56(75)79-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(2)78-4)68-57(76)80-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t29-,30-,45-,46-,47+,48+,49+,50+/m1/s1"	""	""	""
"5246"	"PIBTU"	""	"Synthetic organic"	""	""	""	""	"178101930"	"1331"	""	""	"CHEMBL107201"	""	""	""	""	"[(2-{3-[2-(carbamimidoylsulfanyl)ethyl]phenyl}ethyl)sulfanyl]methanimidamide"	""	"1,3-PB-ITU"	"NC(=N)SCCc1cccc(c1)CCSC(=N)N"	"YEUSLPIIQGZHQB-UHFFFAOYSA-N"	"InChI=1S/C12H18N4S2/c13-11(14)17-6-4-9-2-1-3-10(8-9)5-7-18-12(15)16/h1-3,8H,4-7H2,(H3,13,14)(H3,15,16)"	""	""	""
"14398"	"picankibart"	""	"Antibody"	"yes"	""	""	""	"523352190"	"0"	""	""	""	""	""	""	""	""	"picankibart"	"IBI 112|IBI-112|IBI112|Pecondle&reg; (China)"	""	""	""	""	""	""
"11627"	"piclamilast"	""	"Synthetic organic"	""	""	""	""	"442878661"	"154575"	""	""	"CHEMBL42126"	""	""	""	""	"3-cyclopentyloxy-N-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide"	"piclamilast"	"RP 73401|RP-73-401|RP73401"	"COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl"	"RRRUXBQSQLKHEL-UHFFFAOYSA-N"	"InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)"	"yes"	""	""
"422"	"piclidenoson"	""	"Synthetic organic"	""	""	""	""	"135650362"	"123683"	""	""	"CHEMBL119709"	""	""	""	""	"(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide"	"piclidenoson"	"CF 101|CF101|IB-MECA|N(6)-ibamu"	"CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I"	"HUJXGQILHAUCCV-MOROJQBDSA-N"	"InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1"	"yes"	""	""
"10291"	"Pico145"	""	"Synthetic organic"	""	""	""	""	"381744972"	"85473438"	""	""	""	""	""	""	""	"7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-[3-(trifluoromethoxy)phenoxy]purine-2,6-dione"	""	"C31|compound 31 [PMID: 28325835]"	"OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1cccc(c1)OC(F)(F)F"	"PRJHEJGMSOBHTO-UHFFFAOYSA-N"	"InChI=1S/C23H20ClF3N4O5/c1-29-19-18(20(33)30(22(29)34)10-3-11-32)31(13-14-6-8-15(24)9-7-14)21(28-19)35-16-4-2-5-17(12-16)36-23(25,26)27/h2,4-9,12,32H,3,10-11,13H2,1H3"	""	""	""
"11379"	"picotamide"	""	"Synthetic organic"	""	""	""	""	"440816748"	"4814"	""	""	"CHEMBL1257015"	""	""	""	""	"4-methoxy-1-N,3-N-bis(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide"	""	""	"COc1ccc(cc1C(=O)NCc1cccnc1)C(=O)NCc1cccnc1"	"KYWCWBXGRWWINE-UHFFFAOYSA-N"	"InChI=1S/C21H20N4O3/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)"	""	""	""
"7873"	"picropodophyllin"	""	"Synthetic organic"	""	""	""	""	"223366202"	"72435"	""	""	"CHEMBL283120"	""	""	""	""	"(5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	""	"AXL1717"	"COc1cc(cc(c1OC)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O"	"YJGVMLPVUAXIQN-HAEOHBJNSA-N"	"InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19+,20-/m0/s1"	""	""	""
"4286"	"picrotin"	""	"Synthetic organic"	""	""	""	""	"178101103"	"442291"	""	""	"CHEMBL478523"	""	""	""	""	""	""	""	"O=C1O[C@@H]2[C@H]([C@H]1[C@]1(O)C[C@@H]3[C@]4([C@@]1([C@@H]2OC4=O)C)O3)C(O)(C)C"	"RYEFFICCPKWYML-QCGISDTRSA-N"	"InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1"	""	""	""
"4051"	"picrotoxin"	""	"Natural product"	""	""	""	""	"178100875"	"31304"	""	""	""	""	""	""	""	""	""	""	"CC(=C)[C@@H]1C2OC(=O)C1[C@]1([C@]3([C@@H]2OC(=O)[C@]23C(C1)O2)C)O.O=C1OC2[C@H](C1[C@]1(O)C[C@@H]3[C@]4([C@@]1([C@@H]2OC4=O)C)O3)C(O)(C)C"	"VJKUPQSHOVKBCO-ZTYBEOBUSA-N"	"InChI=1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7?,8?,9-,13-,14-,15+;6?,7-,8?,9?,10+,13+,14+,15-/m10/s1"	""	""	""
"2291"	"picrotoxinin"	""	"Natural product"	""	""	""	""	"135652708"	"442292"	""	""	"CHEMBL47244"	""	""	""	""	""	""	""	"CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1([C@]3([C@@H]2OC(=O)[C@]23[C@@H](C1)O2)C)O"	"PIMZUZSSNYHVCU-YKWPQBAZSA-N"	"InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,13-,14-,15+/m1/s1"	""	""	""
"5682"	"pictilisib"	""	"Synthetic organic"	""	""	""	""	"178102309"	"17755052"	""	""	"CHEMBL521851"	""	""	""	""	"4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine"	"pictilisib"	"GDC-0941|GDC0941|GNE 0941|pictrelisib"	"CS(=O)(=O)N1CCN(CC1)Cc1cc2c(s1)c(nc(n2)c1cccc2c1cn[nH]2)N1CCOCC1"	"LHNIIDJUOCFXAP-UHFFFAOYSA-N"	"InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)"	""	""	""
"7692"	"pidilizumab"	""	"Antibody"	""	""	""	""	"223366026"	"0"	""	""	""	""	""	""	""	""	"pidilizumab"	"BAT mAb|CT-011|MDV9300"	""	""	""	""	""	""
"12084"	"pifusertib"	""	"Synthetic organic"	""	""	""	""	"472319206"	"66555816"	""	""	""	""	""	""	""	""	"pifusertib"	"TAS-117|TAS117"	"C[C@@]1(O)C[C@@](N)(C1)c1ccc(cc1)c1c(n2COc3c(cncc3)c2n1)c1ccccc1"	"AIFGVDXMHWGOGJ-DIVCQZSQSA-N"	"InChI=1S/C26H24N4O2/c1-25(31)14-26(27,15-25)19-9-7-17(8-10-19)22-23(18-5-3-2-4-6-18)30-16-32-21-11-12-28-13-20(21)24(30)29-22/h2-13,31H,14-16,27H2,1H3/t25-,26-"	""	""	""
"13831"	"pigment epithelium-derived factor"	"Human"	"Peptide"	""	""	""	""	"513757516"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"10306"	"Pi-hexatoxin-Hi1a"	""	"Peptide"	""	""	""	""	"381744987"	"0"	"A0A1L1QJU3"	""	""	""	""	""	""	""	""	"&pi;-Hi1a|&pi;-HXTXHi1a|pi-Hi1a"	""	""	""	""	""	""
"8968"	"PIK-108"	""	"Synthetic organic"	""	""	""	""	"310264748"	"54751698"	""	""	""	""	""	""	""	"8-[(1S)-1-anilinoethyl]-6-methyl-2-morpholin-4-ylchromen-4-one"	""	""	"Cc1cc([C@@H](Nc2ccccc2)C)c2c(c1)c(=O)cc(o2)N1CCOCC1"	"VRCXIJAYLCUSHC-INIZCTEOSA-N"	"InChI=1S/C22H24N2O3/c1-15-12-18(16(2)23-17-6-4-3-5-7-17)22-19(13-15)20(25)14-21(27-22)24-8-10-26-11-9-24/h3-7,12-14,16,23H,8-11H2,1-2H3/t16-/m0/s1"	""	""	""
"8012"	"PIK-75"	""	"Synthetic organic"	""	""	""	""	"249565692"	"10275789"	""	""	"CHEMBL393525"	""	""	""	""	"N-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide"	""	"imidazopyridine derivative 8c [PMID 17601739]|PIK 75|PIK75"	"Brc1ccc2n(c1)c(/C=N/N(S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])C)cn2"	"QTHCAAFKVUWAFI-DJKKODMXSA-N"	"InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+"	""	""	""
"6062"	"PIK-93"	""	"Synthetic organic"	""	""	""	""	"178102683"	"6852167"	""	""	"CHEMBL1229535"	""	""	""	""	"N-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide"	""	"PIK 93|PIK93"	"OCCNS(=O)(=O)c1cc(ccc1Cl)c1sc(nc1C)NC(=O)C"	"JFVNFXCESCXMBC-UHFFFAOYSA-N"	"InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)"	""	""	""
"9379"	"PIK-III"	""	"Synthetic organic"	""	""	""	""	"328083481"	"67983123"	""	""	""	""	""	""	""	"4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine"	""	""	"Nc1ncc(c(n1)CC1CC1)c1ccnc(n1)Nc1ccncc1"	"XXSDLQLNIVFIJI-UHFFFAOYSA-N"	"InChI=1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)"	""	""	""
"13472"	"pikromycin"	""	"Natural product"	""	""	""	""	"500839882"	"5282037"	""	""	""	""	""	""	""	"(3R,5R,6S,7S,9R,11E,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradec-11-ene-2,4,10-trione"	""	"albomycetin|amaromycin|picromycin"	"CC[C@@H]1[C@@](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O"	"UZQBOFAUUTZOQE-VSLWXVDYSA-N"	"InChI=1S/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11+/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27+,28+/m1/s1"	""	""	"yes"
"7963"	"pilaralisib"	""	"Synthetic organic"	""	""	""	""	"249565646"	"1893730"	""	""	"CHEMBL3218575"	""	""	""	""	"N-[3-(2,1,3-benzothiadiazol-6-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide"	"pilaralisib"	"SAR-245408|XL-147|XL147"	"Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc2c(c1)nsn2"	"MQMKRQLTIWPEDM-UHFFFAOYSA-N"	"InChI=1S/C21H16N6O2S2/c1-13-6-9-15(10-7-13)31(28,29)27-21-20(23-16-4-2-3-5-17(16)24-21)22-14-8-11-18-19(12-14)26-30-25-18/h2-12H,1H3,(H,22,23)(H,24,27)"	""	""	""
"11957"	"pilavapadin"	""	"Synthetic organic"	""	""	""	""	"461663512"	"118419773"	""	""	""	""	""	""	""	"(2S)-1-[2-(difluoromethyl)-6-[2-(difluoromethyl)pyridin-4-yl]pyridin-3-yl]oxy-2,4-dimethylpentan-2-amine"	"pilavapadin"	"BMS-986176|BMS986176|LX-9211|LX9211"	"CC(C)C[C@](C)(N)COc1c(nc(cc1)c1ccnc(c1)C(F)F)C(F)F"	"RKAHOQATMSONTM-IBGZPJMESA-N"	"InChI=1S/C19H23F4N3O/c1-11(2)9-19(3,24)10-27-15-5-4-13(26-16(15)18(22)23)12-6-7-25-14(8-12)17(20)21/h4-8,11,17-18H,9-10,24H2,1-3H3/t19-/m0/s1"	""	""	""
"305"	"pilocarpine"	""	"Synthetic organic"	"yes"	""	""	""	"135650824"	"5910"	""	""	"CHEMBL550"	""	""	""	""	"(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one"	""	"pilocarpine hydrochloride|pilocarpine nitrate|pilokarpin|Salagen&reg;|Vuity&reg; (pilocarpine HCI ophthalmic solution)"	"CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C"	"QCHFTSOMWOSFHM-WPRPVWTQSA-N"	"InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1"	""	""	""
"9790"	"PIM447"	""	"Synthetic organic"	""	""	""	""	"354702263"	"44814409"	""	""	"CHEMBL3651966"	""	""	""	""	"N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide"	""	"compound 8 [PMID: 26505898]|LGH-447|LGH447|PIM-447"	"C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F"	"VRQXRVAKPDCRCI-ZNMIVQPWSA-N"	"InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1"	""	""	""
"13038"	"PIM447-VHL-01"	""	"Synthetic organic"	""	""	""	""	"485206159"	"169422759"	""	""	""	""	""	""	""	"N'-[(1S,5S)-3-{3-[6-(2,6-difluorophenyl)-5-fluoropyridine-2-amido]pyridin-4-yl}-5-methylcyclohexyl]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-{[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]octanediamide"	""	""	"C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCC(=O)N[C@H]2C[C@@H](C)CC(C2)C3=CC=NC=C3NC(=O)C4=CC=C(F)C(=N4)C5=C(F)C=CC=C5F)C(C)(C)C)C6=CC=C(C=C6)C7=C(C)N=CS7"	"XKKWVBFDKVNKHY-ROPADPDWSA-N"	"InChI=1S/C55H65F3N8O6S/c1-31-24-36(39-22-23-59-28-44(39)64-52(70)43-21-20-42(58)49(63-43)48-40(56)12-11-13-41(48)57)26-37(25-31)62-46(68)14-9-7-8-10-15-47(69)65-51(55(4,5)6)54(72)66-29-38(67)27-45(66)53(71)61-32(2)34-16-18-35(19-17-34)50-33(3)60-30-73-50/h11-13,16-23,28,30-32,36-38,45,51,67H,7-10,14-15,24-27,29H2,1-6H3,(H,61,71)(H,62,68)(H,64,70)(H,65,69)/t31-,32-,36?,37-,38+,45-,51+/m0/s1"	""	""	""
"7872"	"pimasertib"	""	"Synthetic organic"	""	""	""	""	"223366201"	"44187362"	""	""	"CHEMBL2107832"	""	""	""	""	"N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide"	"pimasertib"	"AS-703026|AS703026|MSC1936369B"	"OC[C@H](CNC(=O)c1ccncc1Nc1ccc(cc1F)I)O"	"VIUAUNHCRHHYNE-JTQLQIEISA-N"	"InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1"	""	""	""
"8423"	"pimavanserin"	""	"Synthetic organic"	"yes"	""	""	""	"252166633"	"10071196"	""	""	"CHEMBL2111101"	""	""	""	""	"1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea"	"pimavanserin"	"ACP 103|ACP-103|Nuplazid (proposed trade name)"	"CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C"	"RKEWSXXUOLRFBX-UHFFFAOYSA-N"	"InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)"	""	""	""
"6783"	"pimecrolimus"	""	"Synthetic organic"	"yes"	""	""	""	"178103389"	"6509979"	""	""	"CHEMBL1200686"	""	""	""	""	""	"pimecrolimus"	"Elidel&reg;|SDZ ASM 981|SDZ-ASM 981"	"CC[C@@H]1/C=C(\C)/C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@H](C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]1CC[C@@H]([C@@H](C1)OC)Cl)/C)CCCC2"	"KASDHRXLYQOAKZ-XDSKOBMDSA-N"	"InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1"	""	""	""
"12873"	"pimicotinib"	""	"Synthetic organic"	"yes"	""	""	""	"485205994"	"139549388"	""	""	""	""	""	""	""	"3,3-dimethyl-N-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyridin-4-yl]oxypyridin-2-yl]-2-oxopyrrolidine-1-carboxamide"	"pimicotinib"	"ABSK-021|ABSK021|Betimai&reg; (China)|example 41 [WO2018214867A9]"	"CC1(C(N(CC1)C(=O)NC2=NC(=C(C=C2)OC3=CC(=NC=C3)C=4C=NN(C4)C)C)=O)C"	"NXFPMDWYDKHFMM-UHFFFAOYSA-N"	"InChI=1S/C22H24N6O3/c1-14-18(31-16-7-9-23-17(11-16)15-12-24-27(4)13-15)5-6-19(25-14)26-21(30)28-10-8-22(2,3)20(28)29/h5-7,9,11-13H,8,10H2,1-4H3,(H,25,26,30)"	""	""	""
"12284"	"pimitespib"	""	"Synthetic organic"	""	""	""	""	"473153872"	"67501411"	""	""	"CHEMBL3661115"	""	""	""	""	"3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide"	"pimitespib"	"compound 16e [PMID: 30525599]|Jeselhy&reg;|TAS-116|TAS116"	"CCc1c(ccc(c1)C(=O)N)n1c2nccc(c2c(n1)C(C)C)n1cc(nc1)c1cn(nc1)C"	"NVVPMZUGELHVMH-UHFFFAOYSA-N"	"InChI=1S/C25H26N8O/c1-5-16-10-17(24(26)34)6-7-20(16)33-25-22(23(30-33)15(2)3)21(8-9-27-25)32-13-19(28-14-32)18-11-29-31(4)12-18/h6-15H,5H2,1-4H3,(H2,26,34)"	""	""	""
"90"	"pimozide"	""	"Synthetic organic"	"yes"	""	""	""	"135650825"	"16362"	""	""	"CHEMBL1423"	""	""	""	""	"3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one"	"pimozide"	"haldol decanoate|Orap&reg;|R-6238"	"Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2"	"YVUQSNJEYSNKRX-UHFFFAOYSA-N"	"InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)"	""	""	""
"11551"	"PiN-21"	""	"Antibody"	""	""	""	""	"441604923"	"0"	""	""	""	""	""	""	""	""	""	"Pittsburgh inhalable Nanobody 21"	""	""	""	""	""	""
"2412"	"pinacidil"	""	"Synthetic organic"	"yes"	""	""	""	"135650826"	"4826"	""	""	"CHEMBL1159"	""	""	""	""	"3-cyano-2-(3,3-dimethylbutan-2-yl)-1-pyridin-4-ylguanidine"	"pinacidil"	"pinacidil hydrate|Pindac&reg;"	"CC(C(C)(C)C)N=C(Nc1ccncc1)NC#N"	"IVVNZDGDKPTYHK-UHFFFAOYSA-N"	"InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)"	""	""	""
"91"	"pindolol"	""	"Synthetic organic"	"yes"	""	""	""	"135650827"	"4828"	""	""	"CHEMBL500"	""	""	""	""	"1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol"	"pindolol"	"betapindol|LB-46|Visken&reg;"	"OC(COc1cccc2c1cc[nH]2)CNC(C)C"	"JZQKKSLKJUAGIC-UHFFFAOYSA-N"	"InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3"	""	""	""
"7019"	"pinometostat"	""	"Synthetic organic"	""	""	""	""	"178103598"	"57345410"	""	""	"CHEMBL3087499"	""	""	""	""	""	"pinometostat"	"EPZ 5676|EPZ-5676|EPZ5676"	"O[C@@H]1[C@@H](CN([C@@H]2C[C@@H](C2)CCc2nc3c([nH]2)ccc(c3)C(C)(C)C)C(C)C)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N"	"LXFOLMYKSYSZQS-LURJZOHASA-N"	"InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17-,19+,22-,25-,26-,29-/m1/s1"	""	""	""
"2694"	"pioglitazone"	""	"Synthetic organic"	"yes"	""	""	""	"135650829"	"4829"	""	""	"CHEMBL595"	""	""	""	""	"5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione"	"pioglitazone"	"Actos&reg;|Glustin&reg;|pioglitazone HCl|U-72107A"	"CCc1ccc(nc1)CCOc1ccc(cc1)CC1SC(=O)NC1=O"	"HYAFETHFCAUJAY-UHFFFAOYSA-N"	"InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)"	""	""	""
"13612"	"pipacycline"	""	"Synthetic organic"	""	""	""	""	"504705431"	"54686184"	""	""	"CHEMBL2105824"	""	""	""	""	"(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide"	"pipacycline"	"mepicycline"	"O[C@@]12[C@@](C[C@]3(C(=C1O)C(=O)C=4C([C@@]3(C)O)=CC=CC4O)[H])([C@H](N(C)C)C(O)=C(C(NCN5CCN(CCO)CC5)=O)C2=O)[H]"	"XATZHCXBMKRRDO-REHNUXHNSA-N"	"InChI=1S/C29H38N4O9/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34/h4-6,16-17,22,34-35,37-38,41-42H,7-14H2,1-3H3,(H,30,40)/t16-,17-,22-,28+,29-/m0/s1"	""	""	"yes"
"92"	"pipamperone"	""	"Synthetic organic"	""	""	""	""	"135650830"	"4830"	""	""	"CHEMBL440294"	""	""	""	""	"1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide"	"pipamperone"	"dipiperone|floropipamide"	"O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N"	"AXKPFOAXAHJUAG-UHFFFAOYSA-N"	"InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)"	""	""	""
"14577"	"PIPE-791"	""	"Synthetic organic"	""	""	""	""	"530846825"	"167456838"	""	""	""	""	""	""	""	"4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylic acid"	""	"compound 47 [PMID: 42370792]|PIPE791"	"O=C(NC1=C(OC(F)F)N=C(OC)C=C1)N([C@@H]2CC[C@@H](C(O)=O)CC2)C3=CC=CC=C3C(C)C"	"QYPPPLPDAQVCOC-WKILWMFISA-N"	"InChI=1S/C24H29F2N3O5/c1-14(2)17-6-4-5-7-19(17)29(16-10-8-15(9-11-16)22(30)31)24(32)27-18-12-13-20(33-3)28-21(18)34-23(25)26/h4-7,12-16,23H,8-11H2,1-3H3,(H,27,32)(H,30,31)/t15-,16-"	"yes"	""	""
"12774"	"pipemidic acid"	""	"Synthetic organic"	"yes"	"yes"	""	""	"483123322"	"4831"	""	""	"CHEMBL30116"	""	""	""	""	"8-ethyl-5-oxo-2-piperazin-1-ylpyrido[6,5-d]pyrimidine-6-carboxylic acid"	"pipemidic acid"	"Pipram&reg;"	"CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O"	"JOHZPMXAZQZXHR-UHFFFAOYSA-N"	"InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)"	""	""	"yes"
"10921"	"piperacillin"	""	"Synthetic organic"	"yes"	""	""	""	"405560362"	"43672"	""	""	"CHEMBL702"	""	""	""	""	"(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"piperacillin"	"CL 227,193|CL-227193|PIPC|T-1220|Tazocin&reg; (piperacillin + tazobactam)"	"CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1"	"IVBHGBMCVLDMKU-GXNBUGAJSA-N"	"InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1"	""	""	"yes"
"10025"	"piperaquine"	""	"Synthetic organic"	"yes"	""	""	""	"375973214"	"122262"	""	""	"CHEMBL303933"	""	""	""	""	"7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline"	"piperaquine"	""	"Clc1ccc2c(c1)nccc2N1CCN(CC1)CCCN1CCN(CC1)c1ccnc2c1ccc(c2)Cl"	"UCRHFBCYFMIWHC-UHFFFAOYSA-N"	"InChI=1S/C29H32Cl2N6/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2-9,20-21H,1,10-19H2"	""	"yes"	""
"5477"	"piperidine"	""	"Synthetic organic"	""	""	""	""	"178102125"	"8082"	""	""	"CHEMBL15487"	""	""	""	""	"piperidine"	""	"cyclopentimine|cypentil|hexazane"	"C1CCCNC1"	"NQRYJNQNLNOLGT-UHFFFAOYSA-N"	"InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2"	""	""	""
"4287"	"piperidine-4-sulphonic acid"	""	"Synthetic organic"	""	""	""	""	"178101104"	"4838"	""	""	"CHEMBL34155"	""	""	""	""	"piperidine-4-sulfonic acid"	""	""	"OS(=O)(=O)C1CCNCC1"	"UGBJGGRINDTHIH-UHFFFAOYSA-N"	"InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)"	""	""	""
"2489"	"piperine"	""	"Synthetic organic"	""	""	""	""	"53801087"	"638024"	""	""	"CHEMBL43185"	""	""	""	""	"(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one"	""	""	"O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2"	"MXXWOMGUGJBKIW-YPCIICBESA-N"	"InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+"	""	""	""
"13376"	"piperlongumine"	""	"Natural product"	""	""	""	""	"496703346"	"637858"	""	""	"CHEMBL465843"	""	""	""	""	"1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one"	""	"piplartine"	"COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O"	"VABYUUZNAVQNPG-BQYQJAHWSA-N"	"InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+"	""	""	""
"7271"	"pipobroman"	""	"Synthetic organic"	"yes"	""	""	""	"178103845"	"4842"	""	""	"CHEMBL1585"	""	""	""	""	"3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one"	"pipobroman"	"A-8103|Vercyte&reg;"	"BrCCC(=O)N1CCN(CC1)C(=O)CCBr"	"NJBFOOCLYDNZJN-UHFFFAOYSA-N"	"InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2"	""	""	""
"7557"	"pipotiazine"	""	"Synthetic organic"	"yes"	""	""	""	"223365893"	"62867"	""	""	"CHEMBL398880"	""	""	""	""	"10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]-N,N-dimethylphenothiazine-2-sulfonamide"	"pipotiazine"	"Piportil&reg;|pipothiazine"	"OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C"	"JOMHSQGEWSNUKU-UHFFFAOYSA-N"	"InChI=1S/C24H33N3O3S2/c1-25(2)32(29,30)20-8-9-24-22(18-20)27(21-6-3-4-7-23(21)31-24)14-5-13-26-15-10-19(11-16-26)12-17-28/h3-4,6-9,18-19,28H,5,10-17H2,1-2H3"	""	""	""
"2387"	"PIP<sub>2</sub>"	""	"Metabolite"	""	""	""	""	"135651544"	"5311358"	""	""	""	""	""	""	""	"[(2R)-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate"	""	"phosphatidylinositol-4,5-bisphosphate|PIP2"	"CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O"	"IGQSAMXNWMLOOS-GGDMTQDZSA-N"	"InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h17-20,37,40-45,48-50H,3-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b19-17-,20-18-/t37-,40-,41+,42+,43-,44-,45-/m1/s1"	""	""	""
"2353"	"PIP<sub>3</sub>"	""	"Metabolite"	""	""	""	""	"135651543"	"53477782"	""	""	""	""	""	""	""	""	""	"phosphatidylinositol-3,4,5-trisphosphate"	"CC(=O)OC(OC(=O)C)COP(=O)(O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O"	"RQQIRMLGKSPXSE-UQPICLANSA-N"	"InChI=1S/C12H24O22P4/c1-4(13)29-6(30-5(2)14)3-28-38(26,27)34-9-7(15)10(31-35(17,18)19)12(33-37(23,24)25)11(8(9)16)32-36(20,21)22/h6-12,15-16H,3H2,1-2H3,(H,26,27)(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)/t7-,8-,9-,10+,11-,12-/m0/s1"	""	""	""
"4288"	"piracetam"	""	"Synthetic organic"	"yes"	""	""	""	"178101105"	"4843"	""	""	"CHEMBL36715"	""	""	""	""	"2-(2-oxopyrrolidin-1-yl)acetamide"	"piracetam"	"Nootropil&reg;"	"NC(=O)CN1CCCC1=O"	"GMZVRMREEHBGGF-UHFFFAOYSA-N"	"InChI=1S/C6H10N2O2/c7-5(9)4-8-3-1-2-6(8)10/h1-4H2,(H2,7,9)"	""	""	""
"10844"	"pirazmonam"	""	"Synthetic organic"	""	""	""	""	"405560285"	"6328646"	""	""	"CHEMBL2110757"	""	""	""	""	"2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[1-[[3-[(5-hydroxy-4-oxo-1H-pyridine-2-carbonyl)amino]-2-oxoimidazolidin-1-yl]sulfonylcarbamoyl]-2-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid"	"pirazmonam"	"compound 2 [PMID: 25658376]|SQ 83,360|SQ-83360|SQ83360"	"O=C(N1CC(C1=O)NC(=O)/C(=N\OC(C(=O)O)(C)C)/c1csc(n1)N)NS(=O)(=O)N1CCN(C1=O)NC(=O)c1[nH]cc(c(=O)c1)O"	"JXSPWQGYERHATM-MUXKCCDJSA-N"	"InChI=1S/C22H24N10O12S2/c1-22(2,18(38)39)44-28-14(11-8-45-19(23)26-11)16(36)25-10-7-30(17(10)37)20(40)29-46(42,43)32-4-3-31(21(32)41)27-15(35)9-5-12(33)13(34)6-24-9/h5-6,8,10,34H,3-4,7H2,1-2H3,(H2,23,26)(H,24,33)(H,25,36)(H,27,35)(H,29,40)(H,38,39)/b28-14-"	""	""	"yes"
"10845"	"pirbenicillin"	""	"Synthetic organic"	""	""	""	""	"405560286"	"9871712"	""	""	"CHEMBL2110979"	""	""	""	""	"(2S,5R,6R)-6-[[(2R)-2-[[2-[[amino(pyridin-4-yl)methylidene]amino]acetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	"pirbenicillin"	"CP-33,994|CP-33,994-2"	"O=C(N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1)CN=C(c1ccncc1)N"	"WRFCGBVLTRJBKN-QSNWEANLSA-N"	"InChI=1S/C24H26N6O5S/c1-24(2)18(23(34)35)30-21(33)17(22(30)36-24)29-20(32)16(13-6-4-3-5-7-13)28-15(31)12-27-19(25)14-8-10-26-11-9-14/h3-11,16-18,22H,12H2,1-2H3,(H2,25,27)(H,28,31)(H,29,32)(H,34,35)/t16-,17-,18+,22-/m1/s1"	""	""	"yes"
"7272"	"pirbuterol"	""	"Synthetic organic"	"yes"	""	""	""	"178103846"	"4845"	""	""	"CHEMBL1094966"	""	""	""	""	"6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol"	"pirbuterol"	"CP-24314-1|CP-24314-14|CP-2431414|Maxair&reg;"	"OCc1nc(ccc1O)C(CNC(C)(C)C)O"	"VQDBNKDJNJQRDG-UHFFFAOYSA-N"	"InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3"	""	""	""
"283"	"pirenperone"	""	"Synthetic organic"	""	""	""	""	"135650831"	"4847"	""	""	"CHEMBL18331"	""	""	""	""	"3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[2,1-b]pyrimidin-4-one"	"pirenperone"	"R-47465"	"Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2"	"HXCNRYXBZNHDNE-UHFFFAOYSA-N"	"InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3"	""	""	""
"328"	"pirenzepine"	""	"Synthetic organic"	"yes"	""	""	""	"135650832"	"4848"	""	""	"CHEMBL9967"	""	""	""	""	"11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one"	"pirenzepine"	""	"CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2"	"RMHMFHUVIITRHF-UHFFFAOYSA-N"	"InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)"	""	""	""
"4742"	"piretanide"	""	"Synthetic organic"	""	""	""	""	"178101453"	"4849"	""	""	"CHEMBL349803"	""	""	""	""	"4-phenoxy-3-(pyrrolidin-1-yl)-5-sulfamoylbenzoic acid"	"piretanide"	""	"OC(=O)c1cc(N2CCCC2)c(c(c1)S(=O)(=O)N)Oc1ccccc1"	"UJEWTUDSLQGTOA-UHFFFAOYSA-N"	"InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)"	""	""	""
"7532"	"pirfenidone"	""	"Synthetic organic"	"yes"	""	""	""	"187051833"	"40632"	""	""	"CHEMBL1256391"	""	""	""	""	"5-methyl-1-phenylpyridin-2-one"	"pirfenidone"	"AMR-69|Esbriet&reg;"	"Cc1ccc(=O)n(c1)c1ccccc1"	"ISWRGOKTTBVCFA-UHFFFAOYSA-N"	"InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3"	"yes"	""	""
"49"	"piribedil"	""	"Synthetic organic"	""	""	""	""	"135650833"	"4850"	""	""	"CHEMBL1371770"	""	""	""	""	"2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine"	"piribedil"	""	"c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2"	"OQDPVLVUJFGPGQ-UHFFFAOYSA-N"	"InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2"	""	""	""
"3183"	"piridronic acid"	""	"Synthetic organic"	""	""	""	""	"135650705"	"57637"	""	""	"CHEMBL99369"	""	""	""	""	"[1-phosphono-2-(pyridin-2-yl)ethyl]phosphonic acid"	"piridronic acid"	"NE 97221|NE-97221|NE97221"	"OP(=O)(C(P(=O)(O)O)Cc1ccccn1)O"	"NGMZSXZBZNXBGX-UHFFFAOYSA-N"	"InChI=1S/C7H11NO6P2/c9-15(10,11)7(16(12,13)14)5-6-3-1-2-4-8-6/h1-4,7H,5H2,(H2,9,10,11)(H2,12,13,14)"	""	""	""
"2666"	"pirinixic acid"	""	"Synthetic organic"	""	""	""	""	"135650834"	"5694"	""	""	"CHEMBL295416"	""	""	""	""	"2-[4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanylacetic acid"	"pirinixic acid"	"WY14643"	"OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C"	"SZRPDCCEHVWOJX-UHFFFAOYSA-N"	"InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)"	""	""	""
"7414"	"piritrexim"	""	"Synthetic organic"	""	""	""	""	"178103986"	"54369"	""	""	"CHEMBL7492"	""	""	""	""	"6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[3,2-e]pyrimidine-2,4-diamine"	"piritrexim"	""	"COc1ccc(cc1Cc1cnc2c(c1C)c(N)nc(n2)N)OC"	"VJXSSYDSOJBUAV-UHFFFAOYSA-N"	"InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)"	""	""	""
"13621"	"pirlimycin"	""	"Synthetic organic"	""	""	""	""	"504705440"	"157385"	""	""	"CHEMBL1652611"	""	""	""	""	"(2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-ethylpiperidine-2-carboxamide"	"pirlimycin"	"Pirsue&reg; (veterinary)|U-57,930E|U-57930E"	"CC[C@@H]1CCN[C@@H](C1)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl"	"HBJOXQRURQPDEX-MHXMMLMNSA-N"	"InChI=1S/C17H31ClN2O5S/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24)/t8-,9+,10-,11+,12-,13+,14+,15+,17+/m0/s1"	""	""	"yes"
"6638"	"pirlindole"	""	"Synthetic organic"	"yes"	""	""	""	"178103251"	"68802"	""	""	"CHEMBL32350"	""	""	""	""	"8-Methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole"	"pirlindole"	"Pyrazidol &reg;"	"Cc1ccc2c(c1)c1CCCC3c1n2CCN3"	"IWVRVEIKCBFZNF-UHFFFAOYSA-N"	"InChI=1S/C15H18N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-6,9,13,16H,2-4,7-8H2,1H3"	""	""	""
"12475"	"piromidic acid"	""	"Synthetic organic"	"yes"	"yes"	""	""	"479821265"	"4855"	""	""	"CHEMBL311350"	""	""	""	""	"8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[6,5-d]pyrimidine-6-carboxylic acid"	"piromidic acid"	"Bactramyl&reg;|Panacid&reg;|PD-93"	"CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCCC3)C(=O)O"	"RCIMBBZXSXFZBV-UHFFFAOYSA-N"	"InChI=1S/C14H16N4O3/c1-2-17-8-10(13(20)21)11(19)9-7-15-14(16-12(9)17)18-5-3-4-6-18/h7-8H,2-6H2,1H3,(H,20,21)"	""	""	"yes"
"12612"	"pirotinib"	""	"Synthetic organic"	""	""	""	""	"479821402"	"56933206"	""	""	""	""	""	""	""	"N-[4-(3-chloro-4-fluoroanilino)-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)methoxy]quinazolin-6-yl]prop-2-enamide"	""	"example 18 [WO2012027960A1]|KBP-5209|KBP5209"	"CN1CCC2(CC1)CC(C2)COC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl)NC(=O)C=C"	"KJBZQIKLKWQVLL-UHFFFAOYSA-N"	"InChI=1S/C27H29ClFN5O2/c1-3-25(35)33-23-11-19-22(30-16-31-26(19)32-18-4-5-21(29)20(28)10-18)12-24(23)36-15-17-13-27(14-17)6-8-34(2)9-7-27/h3-5,10-12,16-17H,1,6-9,13-15H2,2H3,(H,33,35)(H,30,31,32)"	""	""	""
"7273"	"piroxicam"	""	"Synthetic organic"	"yes"	""	""	""	"178103847"	"54676228"	""	""	"CHEMBL527"	""	""	""	""	"4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1&lambda;6,2-benzothiazine-3-carboxamide"	"piroxicam"	"CP-16171|Feldene&reg;"	"OC(=Nc1ccccn1)C1=C(O)c2ccccc2S(=O)(=O)N1C"	"QYSPLQLAKJAUJT-UHFFFAOYSA-N"	"InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)"	"yes"	""	""
"11628"	"pirtobrutinib"	""	"Synthetic organic"	"yes"	""	""	""	"442878662"	"129269915"	""	""	""	""	""	""	""	"5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-4-carboxamide"	"pirtobrutinib"	"BTK inhibitor 16|Jaypirca&reg;|LOXO-305|LOXO305|MCL-133|MCL133|RXC005"	"COc1ccc(cc1C(=O)NCc1ccc(cc1)c1nn(c(c1C(=O)N)N)[C@H](C(F)(F)F)C)F"	"FWZAWAUZXYCBKZ-NSHDSACASA-N"	"InChI=1S/C22H21F4N5O3/c1-11(22(24,25)26)31-19(27)17(20(28)32)18(30-31)13-5-3-12(4-6-13)10-29-21(33)15-9-14(23)7-8-16(15)34-2/h3-9,11H,10,27H2,1-2H3,(H2,28,32)(H,29,33)/t11-/m0/s1"	"yes"	""	""
"3035"	"pitavastatin"	""	"Synthetic organic"	"yes"	""	""	""	"178100251"	"5282452"	""	""	"CHEMBL1201753"	""	""	""	""	"(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid"	"pitavastatin"	"itavastatin|Livalo&reg;"	"O[C@H](C[C@@H](/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O)CC(=O)O"	"VGYFMXBACGZSIL-MCBHFWOFSA-N"	"InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1"	""	""	""
"10305"	"Pi-theraphotoxin-Hm3a"	""	"Peptide"	""	""	""	""	"381744986"	"0"	"C0HKD0"	""	""	""	""	""	""	""	""	"&pi;-TRTX-Hm3a"	""	""	""	""	""	""
"8924"	"pitolisant"	""	"Synthetic organic"	"yes"	""	""	""	"310264705"	"9948102"	""	""	"CHEMBL462605"	""	""	""	""	"1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine"	"pitolisant"	"BF2.649|Ozawade&reg;|tiprolisant [USAN]|Wakix&reg;"	"Clc1ccc(cc1)CCCOCCCN1CCCCC1"	"NNACHAUCXXVJSP-UHFFFAOYSA-N"	"InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2"	""	""	""
"12920"	"pivampicillin"	""	"Synthetic organic"	""	""	""	""	"485206041"	"33478"	""	""	"CHEMBL3182343"	""	""	""	""	"2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate"	"pivampicillin"	"MK-191|Pondocillin&reg;"	"CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OCOC(=O)C(C)(C)C)C"	"ZEMIJUDPLILVNQ-ZXFNITATSA-N"	"InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t13-,14-,15+,18-/m1/s1"	""	""	"yes"
"14543"	"pivekimab sunirine"	""	"Antibody"	"yes"	""	""	""	"528429864"	"0"	""	""	""	""	""	""	""	""	"pivekimab sunirine"	"Decnupaz&reg;|IMGN 632|IMGN-632|IMGN632|pivekimab sunirine-pvzy|PVEK"	""	""	""	""	""	""
"10922"	"pivmecillinam"	""	"Synthetic organic"	"yes"	""	""	""	"405560363"	"115163"	""	""	"CHEMBL1650818"	""	""	""	""	""	"pivmecillinam"	"amdinocillin pivoxil|pivmecillinam hydrochloride|Pivya&reg;|RO-10-9071|RO-109071|Selexid&reg;"	"O=C([C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N=CN1CCCCCC1)OCOC(=O)C(C)(C)C"	"NPGNOVNWUSPMDP-HLLBOEOZSA-N"	"InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3/t14-,15+,17-/m1/s1"	""	""	"yes"
"7544"	"pixantrone"	""	"Synthetic organic"	"yes"	""	""	""	"187051845"	"134019"	""	""	"CHEMBL167731"	""	""	""	""	"6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione"	"pixantrone"	"BBR-2778|Pixuvri&reg;"	"NCCNc1ccc(c2c1C(=O)c1cnccc1C2=O)NCCN"	"PEZPMAYDXJQYRV-UHFFFAOYSA-N"	"InChI=1S/C17H19N5O2/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24/h1-3,6,9,21-22H,4-5,7-8,18-19H2"	""	""	""
"9870"	"pixatimod"	""	"Synthetic organic"	""	""	""	""	"363894164"	"57412325"	""	""	"CHEMBL2078841"	""	""	""	""	""	"pixatimod"	"compound 18 [PMID: 22458531]|PG-545|PG545"	"CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)C)C"	"LNUFLCYMSVYYNW-ZPJMAFJPSA-N"	"InChI=1S/C51H88O60S13/c1-22(2)7-6-8-23(3)27-11-12-28-26-10-9-24-17-25(13-15-50(24,4)29(26)14-16-51(27,28)5)95-46-42(108-121(79,80)81)38(104-117(67,68)69)34(30(96-46)18-91-112(52,53)54)100-47-43(109-122(82,83)84)39(105-118(70,71)72)35(31(97-47)19-92-113(55,56)57)101-48-44(110-123(85,86)87)40(106-119(73,74)75)36(32(98-48)20-93-114(58,59)60)102-49-45(111-124(88,89)90)41(107-120(76,77)78)37(103-116(64,65)66)33(99-49)21-94-115(61,62)63/h22-49H,6-21H2,1-5H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)/t23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50+,51-/m1/s1"	"yes"	""	""
"93"	"pizotifen"	""	"Synthetic organic"	"yes"	""	""	""	"135650835"	"27400"	""	""	"CHEMBL294951"	""	""	""	""	"1-methyl-4-{6-thiatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene}piperidine"	"pizotifen"	"BC-105|pizotifan|pizotyline|sandomigran"	"CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1"	"FIADGNVRKBPQEU-UHFFFAOYSA-N"	"InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3"	""	""	""
"11348"	"PJ34"	""	"Synthetic organic"	""	""	""	""	"440816717"	"4858"	""	""	"CHEMBL372303"	""	""	""	""	"2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide"	""	"PJ-34"	"CN(CC(=O)Nc1ccc2c(c1)c1ccccc1c(=O)[nH]2)C"	"UYJZZVDLGDDTCL-UHFFFAOYSA-N"	"InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)"	"yes"	""	""
"8703"	"PK 11195"	""	"Synthetic organic"	""	""	""	""	"252166903"	"1345"	""	""	"CHEMBL481537"	""	""	""	""	"N-butan-2-yl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide"	""	"PK-11195|PK11195"	"CCC(N(C(=O)c1cc2ccccc2c(n1)c1ccccc1Cl)C)C"	"RAVIZVQZGXBOQO-UHFFFAOYSA-N"	"InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3"	""	""	""
"6025"	"PKCbeta inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102647"	"6419755"	""	""	"CHEMBL366266"	""	""	""	""	"3-{1-[3-(1H-imidazol-1-yl)propyl]-1H-indol-3-yl}-4-(phenylamino)-2,5-dihydro-1H-pyrrole-2,5-dione"	""	"K00248"	"O=C1NC(=O)C(=C1c1cn(c2c1cccc2)CCCn1cncc1)Nc1ccccc1"	"KIWODJBCHRADND-UHFFFAOYSA-N"	"InChI=1S/C24H21N5O2/c30-23-21(22(24(31)27-23)26-17-7-2-1-3-8-17)19-15-29(20-10-5-4-9-18(19)20)13-6-12-28-14-11-25-16-28/h1-5,7-11,14-16H,6,12-13H2,(H2,26,27,30,31)"	""	""	""
"9452"	"PKC&theta; inhibitor 14"	""	"Synthetic organic"	""	""	""	""	"329968392"	"91933875"	""	""	""	""	""	""	""	"2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3H-quinazolin-4-one"	""	"compound 14 [PMID: 27117263]"	"O=C1NC(C)(C)N(c2c1ccc(c2)n1c(=O)[nH]c2c1cccn2)[C@@H](c1ccccc1)C"	"WNYKGJHEQVIFGL-OAHLLOKOSA-N"	"InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1"	"yes"	""	""
"7642"	"PKI166"	""	"Synthetic organic"	""	""	""	""	"223365977"	"6918403"	""	""	"CHEMBL1963502"	""	""	""	""	"4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[4,5-e]pyrimidin-6-yl]phenol"	""	"NVP-PKI166|PKI-166"	"Oc1ccc(cc1)c1[nH]c2c(c1)c(ncn2)N[C@@H](c1ccccc1)C"	"XRYJULCDUUATMC-CYBMUJFWSA-N"	"InChI=1S/C20H18N4O/c1-13(14-5-3-2-4-6-14)23-19-17-11-18(24-20(17)22-12-21-19)15-7-9-16(25)10-8-15/h2-13,25H,1H3,(H2,21,22,23,24)/t13-/m1/s1"	""	""	""
"6066"	"PKR-A"	""	"Synthetic organic"	""	""	""	""	"178102687"	"16122905"	""	""	""	""	""	""	""	"N-(3,4-dihydro-2H-1,5-benzodioxepin-8-ylmethyl)-N-(2-methylpropyl)-4-(phenylmethyl)morpholine-2-carboxamide"	""	""	"CC(CN(C(=O)C1OCCN(C1)Cc1ccccc1)Cc1ccc2c(c1)OCCCO2)C"	"KQQGCZSZDMHKOX-UHFFFAOYSA-N"	"InChI=1S/C26H34N2O4/c1-20(2)16-28(18-22-9-10-23-24(15-22)31-13-6-12-30-23)26(29)25-19-27(11-14-32-25)17-21-7-4-3-5-8-21/h3-5,7-10,15,20,25H,6,11-14,16-19H2,1-2H3"	""	""	""
"6026"	"PKR inhibitor"	""	"Synthetic organic"	""	""	""	""	"178102648"	"6490494"	""	""	"CHEMBL235641"	""	""	""	""	"(8Z)-8-(1H-imidazol-5-ylmethylidene)-6H,7H,8H-[1,3]thiazolo[5,4-e]indol-7-one"	""	"AC1O5VPR|ASN 11124542"	"O=C1Nc2c(/C/1=C/c1cnc[nH]1)c1scnc1cc2"	"VFBGXTUGODTSPK-BAQGIRSFSA-N"	"InChI=1S/C13H8N4OS/c18-13-8(3-7-4-14-5-15-7)11-9(17-13)1-2-10-12(11)19-6-16-10/h1-6H,(H,14,15)(H,17,18)/b8-3-"	""	""	""
"6027"	"PKR inhibitor, negative control"	""	"Synthetic organic"	""	""	""	""	"178102649"	"16760619"	""	""	"CHEMBL2218932"	""	""	""	""	"(3Z)-5-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one"	""	"RNA-dependent protein kinase inhibitor, negative control"	"Clc1ccc2c(c1)/C(=C/c1cc(Cl)c(c(c1)Cl)O)/C(=O)N2"	"ZJFMARHFPUZEKI-KMKOMSMNSA-N"	"InChI=1S/C15H8Cl3NO2/c16-8-1-2-13-9(6-8)10(15(21)19-13)3-7-4-11(17)14(20)12(18)5-7/h1-6,20H,(H,19,21)/b10-3-"	""	""	""
"9141"	"PKUMDL_MH_1001"	""	"Synthetic organic"	""	""	""	""	"315661226"	"11841193"	""	""	""	""	""	""	""	"2-(4-methylpiperazin-1-yl)-1-[(7E)-3-phenyl-7-(phenylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one"	""	""	"CN1CCN(CC1)CC(=O)N1N=C2C(C1c1ccccc1)CCC/C/2=C\c1ccccc1"	"GEMFAWUXUVGGTE-FCDQGJHFSA-N"	"InChI=1S/C27H32N4O/c1-29-15-17-30(18-16-29)20-25(32)31-27(22-11-6-3-7-12-22)24-14-8-13-23(26(24)28-31)19-21-9-4-2-5-10-21/h2-7,9-12,19,24,27H,8,13-18,20H2,1H3/b23-19+"	"yes"	""	""
"1671"	"PL017"	""	"Peptide"	""	""	""	""	"135650836"	"115335"	""	""	"CHEMBL283287"	""	""	""	""	"(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-methylpyrrolidine-2-carboxamide"	""	"3-N-Me-Phe-morphiceptin|PL 017|PL-017"	"Oc1ccc(cc1)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N([C@H](C(=O)N1CCC[C@@H]1C(=O)N)Cc1ccccc1)C)N"	"JAKBYSTWCHUQOK-NDBXHCKUSA-N"	"InChI=1S/C29H37N5O5/c1-32(25(18-19-7-3-2-4-8-19)29(39)33-15-5-9-23(33)26(31)36)28(38)24-10-6-16-34(24)27(37)22(30)17-20-11-13-21(35)14-12-20/h2-4,7-8,11-14,22-25,35H,5-6,9-10,15-18,30H2,1H3,(H2,31,36)/t22-,23+,24-,25-/m0/s1"	""	""	""
"9090"	"PL265"	""	"Synthetic organic"	""	""	""	""	"315661175"	"58277249"	""	""	""	""	""	""	""	"(2S)-2-[[(2S)-2-[[hydroxy-[(1R)-1-(2-methylpropanoyloxymethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(4-phenylphenyl)propanoyl]amino]propanoic acid"	""	"compound 2a [PMID: 25692029]"	"O=C(N[C@H](P(=O)(C[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccc(cc1)c1ccccc1)O)C)OCOC(=O)C(C)C"	"HLACXNCYLIKGES-YCRNBWNJSA-N"	"InChI=1S/C27H35N2O9P/c1-17(2)26(33)37-16-38-27(34)29-19(4)39(35,36)15-23(24(30)28-18(3)25(31)32)14-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-13,17-19,23H,14-16H2,1-4H3,(H,28,30)(H,29,34)(H,31,32)(H,35,36)/t18-,19+,23+/m0/s1"	""	""	""
"7896"	"PL37"	""	"Synthetic organic"	""	""	""	""	"315661093"	"16123252"	""	""	""	""	""	""	""	"1-ethoxycarbonyloxyethyl 2-[[2-[(2-amino-4-methylsulfanylbutyl)disulfanylmethyl]-3-phenylpropanoyl]amino]acetate"	""	"19-IIIa|Debio 0827|Debio-0827"	"CSCCC(CSSCC(C(=O)NCC(=O)OC(OC(=O)OCC)C)Cc1ccccc1)N"	"BJCNUZJDFWFVBY-UHFFFAOYSA-N"	"InChI=1S/C22H34N2O6S3/c1-4-28-22(27)30-16(2)29-20(25)13-24-21(26)18(12-17-8-6-5-7-9-17)14-32-33-15-19(23)10-11-31-3/h5-9,16,18-19H,4,10-15,23H2,1-3H3,(H,24,26)"	""	""	""
"9067"	"PL-3994"	""	"Peptide"	""	""	""	""	"315661152"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5314"	"placental growth factor"	"Human"	"Peptide"	""	""	""	""	"53801023"	"0"	"P49763"	"ENSG00000119630"	""	""	""	""	""	""	""	"PIGF"	""	""	""	""	""	""
"14539"	"platensimycin"	""	"Natural product"	""	""	""	""	"528429860"	"6857724"	""	""	"CHEMBL411278"	""	""	""	""	"3-[3-[(1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1<sup>7,10</sup>.0<sup>1,6</sup>]tridec-2-en-5-yl]propanoylamino]-2,4-dihydroxybenzoic acid"	""	""	"C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C=C4)(C)CCC(=O)NC5=C(C=CC(=C5O)C(=O)O)O)O2"	"CSOMAHTTWTVBFL-OFBLZTNGSA-N"	"InChI=1S/C24H27NO7/c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)31)16(27)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-5,8,12,15,20,26,29H,6-7,9-11H2,1-2H3,(H,25,28)(H,30,31)/t12-,15+,20+,22-,23+,24+/m1/s1"	""	""	"yes"
"13200"	"platypus venom heptapeptide 1"	""	"Peptide"	""	""	""	""	"491299982"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"12051"	"plazinemdor"	""	"Synthetic organic"	""	""	""	""	"472319174"	"146315728"	""	""	""	""	""	""	""	"5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]pyrrolo[2,3-d]pyrimidin-4-one"	"plazinemdor"	"CAD-9303|CAD9303|Compound 1 [WO2020086136A2]"	"CC1(CN(C1)C(=O)Cn1cnc2c(c1=O)c(cn2C1CC1)c1cc(c(cc1)F)Cl)F"	"NULHGWQIRTXKAY-UHFFFAOYSA-N"	"InChI=1S/C21H19ClF2N4O2/c1-21(24)9-27(10-21)17(29)8-26-11-25-19-18(20(26)30)14(7-28(19)13-3-4-13)12-2-5-16(23)15(22)6-12/h2,5-7,11,13H,3-4,8-10H2,1H3"	""	""	""
"10847"	"plazomicin"	""	"Synthetic organic"	"yes"	""	""	""	"405560288"	"42613186"	""	""	"CHEMBL1650559"	""	""	""	""	"(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[[(2S,3R)-3-amino-6-[(2-hydroxyethylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide"	"plazomicin"	"ACHN-490|ACHN490|Zemdri&reg;"	"NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1OC(=CC[C@H]1N)CNCCO)O"	"IYDYFVUFSPQPPV-PEXOCOHZSA-N"	"InChI=1S/C25H48N6O10/c1-25(37)11-38-24(18(35)21(25)29-2)41-20-15(31-22(36)16(33)5-6-26)9-14(28)19(17(20)34)40-23-13(27)4-3-12(39-23)10-30-7-8-32/h3,13-21,23-24,29-30,32-35,37H,4-11,26-28H2,1-2H3,(H,31,36)/t13-,14+,15-,16+,17+,18-,19-,20+,21-,23-,24-,25+/m1/s1"	""	""	"yes"
"9069"	"plecanatide"	""	"Peptide"	"yes"	""	""	""	"315661154"	"70693500"	""	""	"CHEMBL2103867"	""	""	""	""	""	"plecanatide"	"[3-glutamic acid(D>E)]human uroguanylin|SP-304|Trulance&reg;"	"OC(=O)CC[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@H](O)C)C(=O)N[C@H](C(=O)O)CC(C)C)C(C)C)CC(=O)N)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)N)CC(=O)O)CCC(=O)O"	"NSPHQWLKCGGCQR-DLJDZFDSSA-N"	"InChI=1S/C65H104N18O26S4/c1-25(2)15-34-55(98)80-41-24-113-110-21-38(58(101)77-37(65(108)109)16-26(3)4)71-44(87)20-69-62(105)50(30(10)84)83-61(104)40(78-51(94)29(9)70-63(106)48(27(5)6)81-57(100)35(18-43(68)86)76-64(107)49(28(7)8)82-60(41)103)23-112-111-22-39(59(102)73-32(53(96)75-34)11-13-45(88)89)79-54(97)33(12-14-46(90)91)72-56(99)36(19-47(92)93)74-52(95)31(66)17-42(67)85/h25-41,48-50,84H,11-24,66H2,1-10H3,(H2,67,85)(H2,68,86)(H,69,105)(H,70,106)(H,71,87)(H,72,99)(H,73,102)(H,74,95)(H,75,96)(H,76,107)(H,77,101)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,103)(H,83,104)(H,88,89)(H,90,91)(H,92,93)(H,108,109)/t29-,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,48-,49-,50-/m0/s1"	""	""	""
"6618"	"pleiotrophin"	"Human"	"Peptide"	""	""	""	""	"178103231"	"0"	"C9JR52"	"ENSG00000105894"	""	""	""	""	""	""	""	"HBNF|heparin binding growth factor 8 (HBGF-8)|neurite growth-promoting factor 1 (NEGF-1)"	""	""	""	""	""	""
"844"	"plerixafor"	""	"Synthetic organic"	"yes"	""	""	""	"135649932"	"65015"	""	""	"CHEMBL18442"	""	""	""	""	"1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane"	"plerixafor"	"AMD 3100|AMD3100|bicyclam JM-2987|JM 3100|Mozobil&reg;"	"C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1"	"YIQPUIGJQJDJOS-UHFFFAOYSA-N"	"InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2"	"yes"	""	""
"12935"	"pleuromulin"	""	"Natural product"	""	""	""	""	"485206056"	"9886081"	""	""	"CHEMBL3989485"	""	""	""	""	"[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.0<sup>1,8</sup>]tetradecanyl] 2-hydroxyacetate"	"pleuromulin"	"drosophilin B|pleuromutilin"	"C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CO)C"	"ZRZNJUXESFHSIO-BKUNHTPHSA-N"	"InChI=1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3/t13-,14+,16-,18+,19+,20-,21+,22+/m1/s1"	""	""	"yes"
"8278"	"plevitrexed"	""	"Synthetic organic"	""	""	""	""	"252166490"	"135430970"	""	""	"CHEMBL126648"	""	""	""	""	"(2S)-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid"	"plevitrexed"	"ZD 9331|ZD-9331|ZD9331"	"C#CCN(c1ccc(c(c1)F)C(=O)N[C@H](C(=O)O)CCc1n[nH]nn1)Cc1cc2c(=O)nc([nH]c2cc1C)C"	"IEJSCSAMMLUINT-NRFANRHFSA-N"	"InChI=1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m0/s1"	""	""	""
"13313"	"PLG0206"	""	"Peptide"	""	""	""	""	"496703283"	"16152467"	""	""	"CHEMBL439312"	""	""	""	""	""	""	"WLBU2"	"C([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC=1C=2C(NC1)=CC=CC2)NC([C@@H](NC([C@H](CCCNC(=N)N)N)=O)CCCNC(=N)N)=O)=O)[C@H](C)C)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)[C@H](C)C)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC=3C=4C(NC3)=CC=CC4)C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(=N)N)C(O)=O)=O)CCCNC(=N)N)=O)[C@H](C)C)=O)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)[C@H](C)C)=O)C(C)C)=O)CCCNC(=N)N)=O)C(C)C)=O)[C@@H](C)C)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)[C@@H](C)C)=O)C=5C=6C(NC5)=CC=CC6"	"IPTOEBOJTUAETA-GBIRDKSFSA-N"	"InChI=1S/C151H260N66O25/c1-74(2)107(210-124(227)100(51-32-64-188-148(171)172)198-118(221)97(48-29-61-185-145(165)166)201-131(234)108(75(3)4)213-127(230)104(68-82-71-192-89-40-20-17-36-85(82)89)207-121(224)92(43-24-56-180-140(155)156)195-115(218)88(152)39-23-55-179-139(153)154)130(233)200-95(46-27-59-183-143(161)162)116(219)196-93(44-25-57-181-141(157)158)122(225)208-105(69-83-72-193-90-41-21-18-37-86(83)90)128(231)214-109(76(5)6)132(235)202-98(49-30-62-186-146(167)168)119(222)199-101(52-33-65-189-149(173)174)125(228)211-113(80(13)14)136(239)217-112(79(11)12)135(238)205-102(53-34-66-190-150(175)176)126(229)212-114(81(15)16)137(240)216-111(78(9)10)134(237)203-96(47-28-60-184-144(163)164)117(220)197-94(45-26-58-182-142(159)160)123(226)209-106(70-84-73-194-91-42-22-19-38-87(84)91)129(232)215-110(77(7)8)133(236)204-99(50-31-63-187-147(169)170)120(223)206-103(138(241)242)54-35-67-191-151(177)178/h17-22,36-38,40-42,71-81,88,92-114,192-194H,23-35,39,43-70,152H2,1-16H3,(H,195,218)(H,196,219)(H,197,220)(H,198,221)(H,199,222)(H,200,233)(H,201,234)(H,202,235)(H,203,237)(H,204,236)(H,205,238)(H,206,223)(H,207,224)(H,208,225)(H,209,226)(H,210,227)(H,211,228)(H,212,229)(H,213,230)(H,214,231)(H,215,232)(H,216,240)(H,217,239)(H,241,242)(H4,153,154,179)(H4,155,156,180)(H4,157,158,181)(H4,159,160,182)(H4,161,162,183)(H4,163,164,184)(H4,165,166,185)(H4,167,168,186)(H4,169,170,187)(H4,171,172,188)(H4,173,174,189)(H4,175,176,190)(H4,177,178,191)/t88-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-/m0/s1"	""	""	"yes"
"11396"	"plitidepsin"	""	"Natural product"	"yes"	""	""	""	"440816765"	"9812534"	""	""	""	""	""	""	""	""	"plitidepsin"	"Aplidin&reg;|aplidine|Dehydrodidemnin B"	"CC[C@@H]([C@H]1NC(=O)[C@@H](NC(=O)[C@H](N(C(=O)[C@@H]2CCCN2C(=O)C(=O)C)C)CC(C)C)[C@@H](C)OC(=O)[C@H](Cc2ccc(cc2)OC)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C)C)CC(C)C)C"	"UUSZLLQJYRSZIS-LXNNNBEUSA-N"	"InChI=1S/C57H87N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-34,36,39-44,46-47,49,66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1"	""	""	""
"9131"	"plixorafenib"	""	"Synthetic organic"	""	""	""	""	"315661216"	"90116675"	""	""	""	""	""	""	""	"(R)-N-(3-(5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)-3-fluoropyrrolidine-1-sulfonamide"	"plixorafenib"	"FORE-8394|FORE8394|PLX 8394|PLX-8394|PLX8394"	"F[C@@H]1CCN(C1)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1cnc(nc1)C1CC1)F"	"YYACLQUDUDXAPA-MRXNPFEDSA-N"	"InChI=1S/C25H21F3N6O3S/c26-16-5-6-34(12-16)38(36,37)33-20-4-3-19(27)21(22(20)28)23(35)18-11-32-25-17(18)7-14(8-31-25)15-9-29-24(30-10-15)13-1-2-13/h3-4,7-11,13,16,33H,1-2,5-6,12H2,(H,31,32)/t16-/m1/s1"	""	""	""
"12085"	"plogosertib"	""	"Synthetic organic"	""	""	""	""	"472319207"	"42640739"	""	""	""	""	""	""	""	"4-[(9-cyclopentyl-5-methyl-6-oxospiro[8H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-2-yl)amino]-3-methoxy-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]benzamide"	"plogosertib"	"compound 384 [WO2009040556A1]"	"C1(CCCC1)N1c2c(N(C(=O)C3(C1)CC3)C)cnc(n2)Nc1c(cc(C(=O)N[C@@H]2CC[C@H](CC2)N2CCN(CC2)C)cc1)OC"	"UFNLNMWVOMFWGS-SOAUALDESA-N"	"InChI=1S/C34H48N8O3/c1-39-16-18-41(19-17-39)25-11-9-24(10-12-25)36-31(43)23-8-13-27(29(20-23)45-3)37-33-35-21-28-30(38-33)42(26-6-4-5-7-26)22-34(14-15-34)32(44)40(28)2/h8,13,20-21,24-26H,4-7,9-12,14-19,22H2,1-3H3,(H,36,43)(H,35,37,38)/t24-,25-"	""	""	""
"11644"	"plonmarlimab"	""	"Antibody"	""	""	""	""	"442878670"	"0"	""	""	""	""	""	""	""	""	"plonmarlimab"	"TJ 003234|TJ003234|TJM2"	""	""	""	"yes"	""	""
"8921"	"plozalizumab"	""	"Antibody"	""	""	""	""	"310264702"	"0"	""	""	""	""	""	""	""	""	"plozalizumab"	"hu1D9|MLN-1202|MLN1202"	""	""	""	"yes"	""	""
"13642"	"plozasiran"	""	"Nucleic acid"	"yes"	""	""	""	"504705461"	"0"	""	""	""	""	""	""	""	""	"plozasiran"	"ARO-APOC3|Redemplo&reg;"	""	""	""	""	""	""
"12596"	"PLpro inhibitor 7 [PMID: 36977673]"	""	"Synthetic organic"	""	""	""	""	"479821386"	"164946795"	""	""	""	""	""	""	""	"methyl (E)-4-[2-[3-[2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]propanoyl]hydrazinyl]-4-oxobut-2-enoate"	""	""	"C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC=CC=C3CCC(=O)NNC(=O)/C=C/C(=O)OC"	"QEHLIVYTSIQCOG-IECKCJDVSA-N"	"InChI=1S/C27H27N3O5/c1-18(21-13-7-10-19-8-3-5-11-22(19)21)28-27(34)23-12-6-4-9-20(23)14-15-24(31)29-30-25(32)16-17-26(33)35-2/h3-13,16-18H,14-15H2,1-2H3,(H,28,34)(H,29,31)(H,30,32)/b17-16+/t18-/m1/s1"	""	""	""
"7003"	"plumbagin"	""	"Natural product"	""	""	""	""	"178103582"	"10205"	""	""	"CHEMBL295316"	""	""	""	""	"5-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione"	""	"RTK1"	"CC1=CC(=O)c2c(C1=O)cccc2O"	"VCMMXZQDRFWYSE-UHFFFAOYSA-N"	"InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3"	""	""	""
"11020"	"plusbacin A3"	""	"Natural product"	""	""	""	""	"405560461"	"122404412"	""	""	""	""	""	""	""	""	""	""	"CCCCCCCCCCCC1OC(=O)[C@@H](NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC(=O)[C@H](N(C(=O)C1)C(=O)CC(CCCCCCCCCCC(C)C)O)[C@H](O)C)C)CC[C@@H]2O)CCCN=C(N)N)[C@H](C(=O)O)O)[C@@H](C(=O)O)O"	"RRAOZJHXDSMGMH-LOKPQUDHSA-N"	"InChI=1S/C64H109N11O22/c1-6-7-8-9-10-11-16-19-22-26-40-34-46(82)75(45(81)33-39(78)25-21-18-15-13-12-14-17-20-24-36(2)3)49(38(5)77)56(87)68-37(4)59(90)73-31-28-43(79)50(73)57(88)69-41(27-23-30-67-64(65)66)54(85)71-47(52(83)61(92)93)55(86)70-42(35-76)60(91)74-32-29-44(80)51(74)58(89)72-48(63(96)97-40)53(84)62(94)95/h36-44,47-53,76-80,83-84H,6-35H2,1-5H3,(H,68,87)(H,69,88)(H,70,86)(H,71,85)(H,72,89)(H,92,93)(H,94,95)(H4,65,66,67)/t37-,38-,39?,40?,41+,42-,43+,44+,47-,48+,49-,50+,51+,52-,53+/m1/s1"	""	""	"yes"
"509"	"(&plusmn;)-adrenaline"	""	"Metabolite"	""	""	""	""	"135651547"	"838"	""	""	"CHEMBL1740"	""	""	""	""	"4-(1-hydroxy-2-methylaminoethyl)benzene-1,2-diol"	"racepinefrine"	"adrenaline|epinephrine"	"CNCC(c1ccc(c(c1)O)O)O"	"UCTWMZQNUQWSLP-UHFFFAOYSA-N"	"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3"	""	""	""
"12441"	"(&plusmn;)-Equol"	""	"Natural product"	""	""	""	""	"479821231"	"382975"	""	""	"CHEMBL1957037"	""	""	""	""	"3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol"	""	"(+/-)-Equol|(R,S)-Equol"	"C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O"	"ADFCQWZHKCXPAJ-UHFFFAOYSA-N"	"InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2"	""	""	""
"4067"	"(&plusmn;)-<i>cis</i>-2-CAMP"	""	"Synthetic organic"	""	""	""	""	"178100890"	"4067175"	""	""	"CHEMBL284310"	""	""	""	""	"2-(aminomethyl)cyclopropane-1-carboxylic acid"	""	""	"NCC1CC1C(=O)O"	"QUFMERRXRMSAPZ-UHFFFAOYSA-N"	"InChI=1S/C5H9NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8)"	""	""	""
"1206"	"(&plusmn;)-<i>cis</i>-H<sub>2</sub>-PAT"	""	"Synthetic organic"	""	""	""	""	"135650837"	"10037815"	""	""	"CHEMBL340199"	""	""	""	""	"(2S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine"	""	""	"CN([C@@H]1Cc2ccccc2[C@@H](C1)c1ccccc1)C"	"DXJUCAUQIHNOAF-AEFFLSMTSA-N"	"InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18+/m1/s1"	""	""	""
"1207"	"(&plusmn;)-<i>trans</i>-H<sub>2</sub>-PAT"	""	"Synthetic organic"	""	""	""	""	"135650838"	"10106214"	""	""	"CHEMBL127307"	""	""	""	""	"(2S,4R)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine"	""	""	"CN([C@@H]1Cc2ccccc2[C@H](C1)c1ccccc1)C"	"DXJUCAUQIHNOAF-SJLPKXTDSA-N"	"InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1"	""	""	""
"285"	"(&plusmn;)YM796"	""	"Synthetic organic"	""	""	""	""	"135650840"	"177233"	""	""	"CHEMBL1194836"	""	""	""	""	"2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane"	""	""	"CN1CCC2(CC1)CC(=C)C(O2)C"	"HDTOQYUZMCNTBZ-UHFFFAOYSA-N"	"InChI=1S/C11H19NO/c1-9-8-11(13-10(9)2)4-6-12(3)7-5-11/h10H,1,4-8H2,2-3H3"	""	""	""
"13574"	"PLX-4545"	""	"Synthetic organic"	""	""	""	""	"504705393"	"166469167"	""	""	""	""	""	""	""	"(3S)-3-[3-oxo-6-[(1S,2S)-2-(3-phenylazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione"	""	"compound 10 [WO2023283425A1]|PLX4545"	"C1CC[C@@H]([C@H](C1)N2CC(C2)C3=CC=CC=C3)OC4=CC5=C(C=C4)C(=O)N(C5)[C@H]6CCC(=O)NC6=O"	"DQYZQRGRHXEYPT-SDHOMARFSA-N"	"InChI=1S/C28H31N3O4/c32-26-13-12-24(27(33)29-26)31-17-19-14-21(10-11-22(19)28(31)34)35-25-9-5-4-8-23(25)30-15-20(16-30)18-6-2-1-3-7-18/h1-3,6-7,10-11,14,20,23-25H,4-5,8-9,12-13,15-17H2,(H,29,32,33)/t23-,24-,25-/m0/s1"	""	""	""
"5703"	"PLX-4720"	""	"Synthetic organic"	""	""	""	""	"178102330"	"24180719"	""	""	"CHEMBL1230020"	""	""	""	""	"N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide"	""	"PLX 4720"	"CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(Cl)cn2)F"	"YZDJQTHVDDOVHR-UHFFFAOYSA-N"	"InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)"	""	""	""
"9105"	"PLX5622"	""	"Synthetic organic"	""	""	""	""	"315661190"	"52936034"	""	""	"CHEMBL3639728"	""	""	""	""	"6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine"	""	"PLX 5622|PLX-5622"	"CC1=CC2=C(NC=C2CC3=C(N=C(C=C3)NCC4=C(N=CC(=C4)F)OC)F)N=C1"	"NSMOZFXKTHCPTQ-UHFFFAOYSA-N"	"InChI=1S/C21H19F2N5O/c1-12-5-17-14(9-26-20(17)25-8-12)6-13-3-4-18(28-19(13)23)24-10-15-7-16(22)11-27-21(15)29-2/h3-5,7-9,11H,6,10H2,1-2H3,(H,24,28)(H,25,26)"	"yes"	""	""
"9104"	"PLX7486"	""	"Synthetic organic"	""	""	""	""	"315661189"	"0"	""	""	""	""	""	""	""	""	""	"OPN 7486|OPN-7486|PLX-7486"	""	""	""	"yes"	""	""
"4289"	"PMBA"	""	"Synthetic organic"	""	""	""	""	"178101106"	"4779"	""	""	"CHEMBL1416659"	""	""	""	""	"2-amino-3-{3-[2-(phosphonomethyl)phenyl]phenyl}propanoic acid"	""	"3-[2'-phosphonomethyl[1,1'-biphenyl]-3-yl]alanine"	"OC(=O)C(Cc1cccc(c1)c1ccccc1CP(=O)(O)O)N"	"NCEGJIHRQBRVJQ-UHFFFAOYSA-N"	"InChI=1S/C16H18NO5P/c17-15(16(18)19)9-11-4-3-6-12(8-11)14-7-2-1-5-13(14)10-23(20,21)22/h1-8,15H,9-10,17H2,(H,18,19)(H2,20,21,22)"	""	""	""
"2472"	"PMD38"	""	"Synthetic organic"	""	""	""	""	"135650841"	"19100"	""	""	""	""	""	""	""	"(1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol"	""	"p-menthane-3,8-diol"	"C[C@@H]1CC[C@H]([C@@H](C1)O)C(O)(C)C"	"LMXFTMYMHGYJEI-IWSPIJDZSA-N"	"InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/m1/s1"	""	""	""
"5762"	"PMX205"	""	"Peptide"	""	""	""	""	"178102387"	"6918845"	""	""	""	""	""	""	""	"N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamide"	""	"ALS-205|PMX 205|PMX-205"	"C1CCC(CC1)C[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCC[C@@H](C(=O)N3CCC[C@H]3C(=O)N2)NC(=O)CCC4=CC=CC=C4)CCCN=C(N)N)CC5=CNC6=CC=CC=C65"	"VATFHFJULBPYLM-ILOBPARPSA-N"	"InChI=1S/C45H62N10O6/c46-45(47)49-24-9-18-34-40(57)48-23-10-19-35(51-39(56)22-21-29-12-3-1-4-13-29)44(61)55-25-11-20-38(55)43(60)54-36(26-30-14-5-2-6-15-30)41(58)53-37(42(59)52-34)27-31-28-50-33-17-8-7-16-32(31)33/h1,3-4,7-8,12-13,16-17,28,30,34-38,50H,2,5-6,9-11,14-15,18-27H2,(H,48,57)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H4,46,47,49)/t34-,35-,36+,37-,38-/m0/s1"	"yes"	""	""
"579"	"PMX53"	""	"Peptide"	""	""	""	""	"178100219"	"6918468"	""	""	"CHEMBL41547"	""	""	""	""	"(2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamide"	""	"Ac-(cyclo-2,6)-F-[OPdChaWR]|PMX 53|PMX-53"	"NC(=NCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@H]2N(C(=O)[C@H](CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C)CCC2)Cc1c[nH]c2c1cccc2)N"	"YOKBGCTZYPOSQM-HPSWDUTRSA-N"	"InChI=1S/C47H65N11O7/c1-29(59)53-37(25-30-13-4-2-5-14-30)42(61)55-36-20-11-22-50-41(60)35(19-10-23-51-47(48)49)54-44(63)39(27-32-28-52-34-18-9-8-17-33(32)34)56-43(62)38(26-31-15-6-3-7-16-31)57-45(64)40-21-12-24-58(40)46(36)65/h2,4-5,8-9,13-14,17-18,28,31,35-40,52H,3,6-7,10-12,15-16,19-27H2,1H3,(H,50,60)(H,53,59)(H,54,63)(H,55,61)(H,56,62)(H,57,64)(H4,48,49,51)/t35-,36-,37-,38+,39-,40-/m0/s1"	""	""	""
"10089"	"PN10"	""	"Synthetic organic"	""	""	""	""	"381118799"	"90448438"	""	""	""	""	""	""	""	"5-[(7-chloro-1H-indol-3-yl)methyl]-3-[4-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]butyl]imidazolidine-2,4-dione"	""	""	"O=C1NC(C(=O)N1CCCCc1ccc(c(c1)C#Cc1cnc2n1nccc2)C)Cc1c[nH]c2c1cccc2Cl"	"ZQSZVECJMJELSV-UHFFFAOYSA-N"	"InChI=1S/C31H27ClN6O2/c1-20-10-11-21(16-22(20)12-13-24-19-33-28-9-5-14-35-38(24)28)6-2-3-15-37-30(39)27(36-31(37)40)17-23-18-34-29-25(23)7-4-8-26(29)32/h4-5,7-11,14,16,18-19,27,34H,2-3,6,15,17H2,1H3,(H,36,40)"	"yes"	""	""
"10675"	"PN6047"	""	"Synthetic organic"	""	""	""	""	"404859122"	"121430051"	""	""	""	""	""	""	""	"3-[[4-(dimethylcarbamoyl)phenyl]-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-ylidene]methyl]benzamide"	""	""	"NC(=O)c1cccc(c1)C(=C1CCN(CC1)Cc1scnc1)c1ccc(cc1)C(=O)N(C)C"	"ACDBSKNTCSNAAV-UHFFFAOYSA-N"	"InChI=1S/C26H28N4O2S/c1-29(2)26(32)20-8-6-18(7-9-20)24(21-4-3-5-22(14-21)25(27)31)19-10-12-30(13-11-19)16-23-15-28-17-33-23/h3-9,14-15,17H,10-13,16H2,1-2H3,(H2,27,31)"	""	""	""
"4508"	"p-nitrophenyl glutamyl anilide"	""	"Synthetic organic"	""	""	""	""	"178101235"	"7090494"	""	""	"CHEMBL6251"	""	""	""	""	"(2S)-2-azaniumyl-4-[(4-nitrophenyl)carbamoyl]butanoate"	""	""	"O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)[O-])[NH3+]"	"WMZTYIRRBCGARG-VIFPVBQESA-N"	"InChI=1S/C11H13N3O5/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1"	""	""	""
"2542"	"PnTx-3-6"	""	"Peptide"	""	""	""	""	"135652403"	"0"	"P81792"	""	""	""	""	""	""	""	""	"&omega;-CNTX-Pn4a|&omega;-ctenitoxin-Pn4a|Neurotoxin Tx3-6|PhAlpha-1-beta|PhAlpha-1-beta toxin"	""	""	""	""	""	""
"3228"	"PNU109291"	""	"Synthetic organic"	""	""	""	""	"178100285"	"9909448"	""	""	"CHEMBL71838"	""	""	""	""	"(1S)-1-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-N-methyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide"	""	"PNU 109291|PNU-109,291|PNU-109291"	"CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(CC1)c1ccc(cc1)OC"	"UDLSEQDYARNKTL-QHCPKHFHSA-N"	"InChI=1S/C24H31N3O3/c1-25-24(28)19-3-8-22-18(17-19)10-16-30-23(22)9-11-26-12-14-27(15-13-26)20-4-6-21(29-2)7-5-20/h3-8,17,23H,9-16H2,1-2H3,(H,25,28)/t23-/m0/s1"	""	""	""
"3991"	"PNU-120596"	""	"Synthetic organic"	""	""	""	""	"178100817"	"311434"	""	""	"CHEMBL257591"	""	""	""	""	"1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea"	""	"PNU-120,596"	"COc1cc(OC)c(cc1NC(=O)Nc1noc(c1)C)Cl"	"CEIIEALEIHQDBX-UHFFFAOYSA-N"	"InChI=1S/C13H14ClN3O4/c1-7-4-12(17-21-7)16-13(18)15-9-5-8(14)10(19-2)6-11(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18)"	""	""	""
"3988"	"PNU-282987"	""	"Synthetic organic"	""	""	""	""	"178100814"	"9795278"	""	""	"CHEMBL177611"	""	""	""	""	"N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide"	""	"PNU 282987"	"O=C(c1ccc(cc1)Cl)N[C@H]1CN2CCC1CC2"	"WECKJONDRAUFDD-ZDUSSCGKSA-N"	"InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1"	""	""	""
"10977"	"PNU-288034"	""	"Synthetic organic"	""	""	""	""	"405560418"	"9931003"	""	""	"CHEMBL377788"	""	""	""	""	"N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide"	""	"compound 2 [PMID: 16644216]|PNU288034"	"CC(=O)NC[C@@H]1OC(=O)N(C1)c1cc(F)c(c(c1)F)N1CCS(=O)(=O)CC1"	"HSGZLFWXBIVLBD-LBPRGKRZSA-N"	"InChI=1S/C16H19F2N3O5S/c1-10(22)19-8-12-9-21(16(23)26-12)11-6-13(17)15(14(18)7-11)20-2-4-27(24,25)5-3-20/h6-7,12H,2-5,8-9H2,1H3,(H,19,22)/t12-/m0/s1"	""	""	"yes"
"13269"	"PNU-37883"	""	"Synthetic organic"	""	""	""	""	"491300051"	"64393"	""	""	"CHEMBL333121"	""	""	""	""	"N-(1-adamantyl)-N'-cyclohexylmorpholine-4-carboximidamide"	""	""	"C12CC3CC(C1)(/N=C(\N4CCOCC4)/NC5CCCCC5)CC(C3)C2"	"GKCGWXNLOYTUNC-UHFFFAOYSA-N"	"InChI=1S/C21H35N3O/c1-2-4-19(5-3-1)22-20(24-6-8-25-9-7-24)23-21-13-16-10-17(14-21)12-18(11-16)15-21/h16-19H,1-15H2,(H,22,23)"	""	""	""
"10739"	"PO-322"	""	"Synthetic organic"	""	""	""	""	"405067332"	"185135"	""	""	""	""	""	""	""	"3-(1,3-benzoxazol-2-yldiazenyl)-1H-indol-2-ol"	""	"1H-indole-2,3-dione 3-(1,3-benzoxazol-2-ylhydrazone)|PO322"	"O=C1Nc2c(C1=NNc1nc3c(o1)cccc3)cccc2"	"NWUCBUGDPJNKAC-UHFFFAOYSA-N"	"InChI=1S/C15H10N4O2/c20-14-13(9-5-1-2-6-10(9)16-14)18-19-15-17-11-7-3-4-8-12(11)21-15/h1-8H,(H,17,19)(H,16,18,20)"	"yes"	""	""
"3334"	"pobilukast"	""	"Synthetic organic"	""	""	""	""	"178100365"	"60842"	""	""	"CHEMBL22776"	""	""	""	""	"(2S,3R)-3-[(2-carboxyethyl)sulfanyl]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid"	"pobilukast"	"SKF 104353"	"OC(=O)CCS[C@H](c1ccccc1CCCCCCCCc1ccccc1)[C@H](C(=O)O)O"	"PZIFPMYXXCAOCC-JWQCQUIFSA-N"	"InChI=1S/C26H34O5S/c27-23(28)18-19-32-25(24(29)26(30)31)22-17-11-10-16-21(22)15-9-4-2-1-3-6-12-20-13-7-5-8-14-20/h5,7-8,10-11,13-14,16-17,24-25,29H,1-4,6,9,12,15,18-19H2,(H,27,28)(H,30,31)/t24-,25-/m1/s1"	""	""	""
"14648"	"pocenbrodib"	""	"Synthetic organic"	""	""	""	""	"530846896"	"138472434"	""	""	"CHEMBL5314476"	""	""	""	""	"trans-(1R,3R)-3-[(7S)-2-[(R)-(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid"	"pocenbrodib"	"Compound 424 [US11254674]|compound of formula (II) [WO2020190780]|FT-7051|FT7051"	"O[C@H](C1=C(C=CC(F)=C1)OC)C2=NC3=C(C=CC4=C3CC[C@@H](N4C(OC)=O)C)N2[C@@]5([H])C[C@@H](CCC5)C(O)=O"	"NOUKMOKAEKAWKS-FSEQIFNCSA-N"	"InChI=1S/C28H32FN3O6/c1-15-7-9-19-21(31(15)28(36)38-3)10-11-22-24(19)30-26(25(33)20-14-17(29)8-12-23(20)37-2)32(22)18-6-4-5-16(13-18)27(34)35/h8,10-12,14-16,18,25,33H,4-7,9,13H2,1-3H3,(H,34,35)/t15-,16+,18+,25+/m0/s1"	""	""	""
"11523"	"pociredir"	""	"Synthetic organic"	""	""	""	""	"441604895"	"155128494"	""	""	""	""	""	""	""	""	"pociredir"	"Example 90 [WO2020190754]|FTX-6058|FTX6058"	"Cc1ncccc1c1cc2OC[C@H]3COc4c3c(CNc2n2c1nnc2)c(F)cc4"	"JQBUTSBIFNKJMW-CYBMUJFWSA-N"	"InChI=1S/C22H18FN5O2/c1-12-14(3-2-6-24-12)15-7-19-22(28-11-26-27-21(15)28)25-8-16-17(23)4-5-18-20(16)13(9-29-18)10-30-19/h2-7,11,13,25H,8-10H2,1H3/t13-/m1/s1"	""	""	""
"13598"	"podofilox"	""	"Natural product"	"yes"	""	""	""	"504705417"	"10607"	""	""	"CHEMBL61"	""	""	""	""	"(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	""	"Condylox&reg;|podophyllotoxin"	"COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O"	"YJGVMLPVUAXIQN-XVVDYKMHSA-N"	"InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1"	""	""	""
"8404"	"polatuzumab vedotin"	""	"Antibody"	"yes"	""	""	""	"252166614"	"0"	""	""	""	""	""	""	""	""	"polatuzumab vedotin"	"ACD79B-VCMMAE|polatuzumab vedotin-piiq|Polivy&reg;|RG-7596|RG7596|RO5541077-000"	""	""	""	"yes"	""	""
"14063"	"polfurmetinib"	""	"Synthetic organic"	""	""	""	""	"518520690"	"165386441"	""	""	""	""	""	""	""	"8-(2-fluoro-4-methylsulfanylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione"	"polfurmetinib"	"Example 69 [WO2022208391A1]"	"CN1C(=O)C=C2CCN(C(=O)C2=C1NC3=C(C=C(C=C3)SC)F)OCCO"	"TURWFFGYNJNSFK-UHFFFAOYSA-N"	"InChI=1S/C18H20FN3O4S/c1-21-15(24)9-11-5-6-22(26-8-7-23)18(25)16(11)17(21)20-14-4-3-12(27-2)10-13(14)19/h3-4,9-10,20,23H,5-8H2,1-2H3"	""	""	""
"8316"	"polmacoxib"	""	"Synthetic organic"	"yes"	""	""	""	"252166528"	"9841854"	""	""	"CHEMBL166863"	""	""	""	""	"4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide"	"polmacoxib"	"Acelex&reg; (S. Korea)|CG-100649|CG100649"	"Fc1cccc(c1)C1=C(OC(C1=O)(C)C)c1ccc(cc1)S(=O)(=O)N"	"IJWPAFMIFNSIGD-UHFFFAOYSA-N"	"InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)"	"yes"	""	""
"11872"	"polvitolimod"	""	"Synthetic organic"	""	""	""	""	"461663428"	"151237987"	""	""	""	""	""	""	""	"2-amino-9-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-ynylpurin-8-one"	"polvitolimod"	"compound 32 [WO2019226977A1]"	"Nc1ncc2n(c(=O)n(c2n1)[C@H]1[C@H](O)[C@@H]([C@H](O1)CO)F)CC#C"	"NPRYCHLHHVWLQZ-TURQNECASA-N"	"InChI=1S/C13H14FN5O4/c1-2-3-18-6-4-16-12(15)17-10(6)19(13(18)22)11-9(21)8(14)7(5-20)23-11/h1,4,7-9,11,20-21H,3,5H2,(H2,15,16,17)/t7-,8-,9-,11-/m1/s1"	""	""	""
"8861"	"polybia-MP1"	""	"Peptide"	""	""	""	""	"252827518"	"4369126"	""	""	""	""	""	""	""	""	""	"MP-1|MP1"	"CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC"	"WQWSKHPVGKVCQT-KXOXSZQSSA-N"	"InChI=1S/C78H132N20O19/c1-13-43(9)63(83)77(116)97-59(38-62(102)103)76(115)95-57(36-47-39-85-49-24-16-15-23-48(47)49)75(114)90-51(26-18-21-31-80)69(108)89-52(27-19-22-32-81)70(109)93-55(34-41(5)6)73(112)94-56(35-42(7)8)74(113)96-58(37-61(100)101)72(111)87-45(11)66(105)86-46(12)67(106)88-50(25-17-20-30-79)68(107)91-53(28-29-60(82)99)71(110)98-64(44(10)14-2)78(117)92-54(65(84)104)33-40(3)4/h15-16,23-24,39-46,50-59,63-64,85H,13-14,17-22,25-38,79-81,83H2,1-12H3,(H2,82,99)(H2,84,104)(H,86,105)(H,87,111)(H,88,106)(H,89,108)(H,90,114)(H,91,107)(H,92,117)(H,93,109)(H,94,112)(H,95,115)(H,96,113)(H,97,116)(H,98,110)(H,100,101)(H,102,103)/t43-,44-,45-,46-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-,64-/m0/s1"	""	""	""
"10293"	"polygodial"	""	"Synthetic organic"	""	""	""	""	"381744974"	"72503"	""	""	"CHEMBL254550"	""	""	""	""	"(1R,4aS,8aS)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde"	""	""	"O=C[C@H]1C(=CC[C@@H]2[C@]1(C)CCCC2(C)C)C=O"	"AZJUJOFIHHNCSV-KCQAQPDRSA-N"	"InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13-,15+/m0/s1"	""	""	""
"5047"	"poly(I:C)"	""	"Synthetic organic"	""	""	""	""	"178101742"	"135478809"	""	""	""	""	""	""	""	"{[3,4-dihydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid; {[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid"	""	"polyinosine-polycytosine|polyinosine:polycytidylic acid"	"OC1C(O)C(OC1n1cnc2c1[nH]cnc2=O)COP(=O)(O)O.Nc1ccn(c(=O)n1)C1OC(C(C1O)O)COP(=O)(O)O"	"ACEVNMQDUCOKHT-UHFFFAOYSA-N"	"InChI=1S/C10H13N4O8P.C9H14N3O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)"	""	""	""
"10338"	"polymyxin B"	""	"Peptide"	"yes"	""	""	""	"381745019"	"4868"	""	""	"CHEMBL241797"	""	""	""	""	""	"polymyxin B"	"Aerosporin&reg;"	"NCCC(C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)Cc1ccccc1)CC(C)C)CCN)C(O)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)CCCCC(CC)C)CCN"	"WQVJHHACXVLGBL-UHFFFAOYSA-N"	"InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)"	""	""	"yes"
"13820"	"polypeptin"	""	"Natural product"	""	""	""	""	"507750453"	"3084043"	""	""	""	""	""	""	""	""	""	"circulin (former name)"	"CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(C)C)CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC=O)[C@@H](C)O)CCN)CCN"	"YLHJFOAQDDQFIU-LGGGVIKPSA-N"	"InChI=1S/C45H84N16O13/c1-7-23(4)33-44(73)56-28(10-16-48)37(66)54-30(12-18-50)41(70)60-34(24(5)63)43(72)51-19-13-31(40(69)53-27(9-15-47)39(68)58-32(20-22(2)3)42(71)59-33)55-38(67)29(11-17-49)57-45(74)35(25(6)64)61-36(65)26(8-14-46)52-21-62/h21-35,63-64H,7-20,46-50H2,1-6H3,(H,51,72)(H,52,62)(H,53,69)(H,54,66)(H,55,67)(H,56,73)(H,57,74)(H,58,68)(H,59,71)(H,60,70)(H,61,65)/t23-,24+,25+,26-,27-,28-,29-,30-,31-,32+,33-,34-,35-/m0/s1"	""	""	"yes"
"13592"	"polyphyllin H"	""	"Natural product"	""	""	""	""	"504705411"	"101615586"	""	""	""	""	""	""	""	""	""	""	"O[C@@]12[C@](O[C@@]3(OC[C@@H](CC3)C)[C@H]1C)([H])C[C@@]4([H])[C@@]5(CC=C6C[C@H](CC[C@]6(C)[C@@]5([H])CC[C@]24C)O[C@@H]7O[C@H](CO)[C@H]([C@@H]([C@H]7O[C@@H]8O[C@@H](C)[C@@H]([C@H]([C@H]8O)O)O)O)O[C@H]9[C@@H]([C@@H](O)[C@@H](O9)CO)O)[H]"	"DEUSODBYLVUUQI-CRUCUECZSA-N"	"InChI=1S/C44H70O17/c1-19-8-13-43(54-18-19)21(3)44(53)29(61-43)15-26-24-7-6-22-14-23(9-11-41(22,4)25(24)10-12-42(26,44)5)56-40-37(60-38-34(51)32(49)30(47)20(2)55-38)35(52)36(28(17-46)58-40)59-39-33(50)31(48)27(16-45)57-39/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,38+,39+,40-,41+,42+,43-,44-/m1/s1"	""	""	""
"7274"	"polythiazide"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103848"	"4870"	""	""	"CHEMBL1587"	""	""	""	""	"6-chloro-2-methyl-1,1-dioxo-3-(2,2,2-trifluoroethylsulfanylmethyl)-3,4-dihydrobenzo[e][1,2,4]thiadiazine-7-sulfonamide"	"polythiazide"	"P-2525|Renese&reg;"	"CN1C(CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N"	"CYLWJCABXYDINA-UHFFFAOYSA-N"	"InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)"	""	""	""
"9616"	"POM2-C-HMBP"	""	"Synthetic organic"	""	""	""	""	"340590246"	"91864624"	""	""	""	""	""	""	""	"[2,2-dimethylpropanoyloxymethoxy-[(E)-5-hydroxy-4-methylpent-3-enyl]phosphoryl]oxymethyl 2,2-dimethylpropanoate"	""	""	"OC/C(=C/CCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)/C"	"IPOCPVGCROEFJO-NTEUORMPSA-N"	"InChI=1S/C18H33O8P/c1-14(11-19)9-8-10-27(22,25-12-23-15(20)17(2,3)4)26-13-24-16(21)18(5,6)7/h9,19H,8,10-13H2,1-7H3/b14-9+"	"yes"	""	""
"7348"	"pomalidomide"	""	"Synthetic organic"	"yes"	""	""	""	"178103920"	"134780"	""	""	"CHEMBL43452"	""	""	""	""	"4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione"	"pomalidomide"	"CC-4047|IMID-3|Imnovid&reg;|Pomalyst&reg;"	"O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)c(N)ccc2"	"UVSMNLNDYGZFPF-UHFFFAOYSA-N"	"InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)"	"yes"	""	""
"10572"	"Pomc (141-162)"	""	"Peptide"	""	""	""	""	"404859019"	"145996515"	""	""	""	""	""	""	""	""	""	""	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCC(=O)O)CC(C)C)Cc1ccccc1)C)CCC(=O)O)C)CO)CCC(=O)O)CC(=O)N)CCC(=O)O)C)C(C)C)CC(=O)N)Cc1ccc(cc1)O)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)N)CCCN=C(N)N"	"JKMUANZFHYBAQT-OZIQLYOYSA-N"	"InChI=1S/C121H184N32O36/c1-60(2)53-78(106(175)137-75(41-45-92(162)163)103(172)146-83(119(188)189)56-68-27-16-13-17-28-68)142-110(179)85-32-22-51-152(85)117(186)81(54-67-25-14-12-15-26-67)144-99(168)65(10)132-101(170)73(39-43-90(158)159)135-97(166)64(9)133-109(178)84(59-154)147-104(173)76(42-46-93(164)165)138-107(176)79(57-88(124)156)141-102(171)74(40-44-91(160)161)136-98(167)66(11)134-113(182)94(61(3)4)149-108(177)80(58-89(125)157)143-111(180)86-33-23-52-153(86)118(187)82(55-69-35-37-70(155)38-36-69)145-115(184)95(62(5)6)148-105(174)72(30-18-19-47-122)139-114(183)96(63(7)8)150-112(181)87-34-24-50-151(87)116(185)77(31-21-49-131-121(128)129)140-100(169)71(123)29-20-48-130-120(126)127/h12-17,25-28,35-38,60-66,71-87,94-96,154-155H,18-24,29-34,39-59,122-123H2,1-11H3,(H2,124,156)(H2,125,157)(H,132,170)(H,133,178)(H,134,182)(H,135,166)(H,136,167)(H,137,175)(H,138,176)(H,139,183)(H,140,169)(H,141,171)(H,142,179)(H,143,180)(H,144,168)(H,145,184)(H,146,172)(H,147,173)(H,148,174)(H,149,177)(H,150,181)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,188,189)(H4,126,127,130)(H4,128,129,131)/t64-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,94-,95-,96-/m0/s1"	""	""	""
"12958"	"pomotrelvir"	""	"Synthetic organic"	""	""	""	""	"485206079"	"162396309"	""	""	""	""	""	""	""	"7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide"	"pomotrelvir"	"PBI 0451|PBI0451"	"C1C[C@H](C(=O)NC1)C[C@@H](C#N)NC(=O)[C@H](CC2CC2)NC(=O)C3=CC4=C(N3)C(=CC=C4)Cl"	"BNMFQWUHWYJTRI-BQFCYCMXSA-N"	"InChI=1S/C23H26ClN5O3/c24-17-5-1-3-14-11-19(28-20(14)17)23(32)29-18(9-13-6-7-13)22(31)27-16(12-25)10-15-4-2-8-26-21(15)30/h1,3,5,11,13,15-16,18,28H,2,4,6-10H2,(H,26,30)(H,27,31)(H,29,32)/t15-,16-,18-/m0/s1"	""	""	""
"5890"	"ponatinib"	""	"Synthetic organic"	"yes"	""	""	""	"178102513"	"24826799"	""	""	"CHEMBL1171837"	""	""	""	""	"3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide"	"ponatinib"	"AP24534|Iclusig&reg;"	"CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc2n1nccc2)C"	"PHXJVRSECIGDHY-UHFFFAOYSA-N"	"InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)"	"yes"	""	""
"12223"	"ponazuril"	""	"Synthetic organic"	""	""	""	""	"472319343"	"3050408"	""	""	"CHEMBL2104856"	""	""	""	""	"1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione"	"ponazuril"	"ACD-855|ACD855|Marquis&reg; (vet use only)|toltrazuril|toltrazuril sulfone"	"Cc1c(ccc(c1)n1c(=O)[nH]c(=O)n(c1=O)C)Oc1ccc(cc1)S(=O)(=O)C(F)(F)F"	"VBUNOIXRZNJNAD-UHFFFAOYSA-N"	"InChI=1S/C18H14F3N3O6S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)30-12-4-6-13(7-5-12)31(28,29)18(19,20)21/h3-9H,1-2H3,(H,22,25,26)"	""	""	""
"9320"	"ponesimod"	""	"Synthetic organic"	"yes"	""	""	""	"318164839"	"11363176"	""	""	"CHEMBL1096146"	""	""	""	""	"(5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one"	"ponesimod"	"ACT-128800|ACT128800|Compound 8bo [PMID:20446681]|Ponvory&reg;"	"CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C"	"LPAUOXUZGSBGDU-ULCCENQXSA-N"	"InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23?/t17-/m1/s1"	"yes"	""	""
"14467"	"ponometrep"	""	"Synthetic organic"	""	""	""	""	"528429788"	"172195605"	""	""	""	""	""	""	""	"N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide"	"ponometrep"	"BHV-2100|BHV2100|compound 453 [US12209081]|ponometrep (USAN)"	"CC1=NC=C(COC2=CC3=C(OC(C)=C3C(=O)N[C@@H](CO)C(N)=O)C=C2)S1"	"DWSIRZILHAGBKQ-AWEZNQCLSA-N"	"InChI=1S/C18H19N3O5S/c1-9-16(18(24)21-14(7-22)17(19)23)13-5-11(3-4-15(13)26-9)25-8-12-6-20-10(2)27-12/h3-6,14,22H,7-8H2,1-2H3,(H2,19,23)(H,21,24)/t14-/m0/s1"	""	""	""
"13663"	"ponsegromab"	""	"Antibody"	""	""	""	""	"507750297"	"0"	""	""	""	""	""	""	""	""	"ponsegromab"	"PF-06946860|PF06946860"	""	""	""	""	""	""
"11428"	"posaconazole"	""	"Synthetic organic"	"yes"	""	""	""	"440816797"	"468595"	""	""	"CHEMBL1397"	""	""	""	""	"4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one"	"posaconazole"	"Noxafil&reg;|SCH-56592|SCH56592|Schering 56592"	"CC[C@H](n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1CO[C@@](C1)(Cn1cncn1)c1ccc(cc1F)F)[C@@H](O)C"	"RAGOYPUPXAKGKH-XAKZXMRKSA-N"	"InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1"	""	""	""
"14292"	"posdinemab"	""	"Antibody"	""	""	""	""	"521588932"	"0"	""	""	""	""	""	""	""	""	"posdinemab"	"hPT3|JNJ-3657|JNJ-63733657|JNJ3657|JNJ63733657"	""	""	""	""	""	""
"9862"	"poseltinib"	""	"Synthetic organic"	""	""	""	""	"363894156"	"56644522"	""	""	""	""	""	""	""	"N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]furo[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide"	"poseltinib"	"Example 228 [WO2011162515A2]|HM71224|HM‐71224|LY333764"	"C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(cc2)N2CCN(CC2)C)nc2c1occ2"	"LZMJNVRJMFMYQS-UHFFFAOYSA-N"	"InChI=1S/C26H26N6O3/c1-3-23(33)27-19-5-4-6-21(17-19)35-25-24-22(11-16-34-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)"	"yes"	""	""
"12762"	"posizolid"	""	"Synthetic organic"	""	""	""	""	"483123310"	"213049"	""	""	"CHEMBL131854"	""	""	""	""	"(5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one"	"posizolid"	"AZD2563|AZD5847"	"C1CN(CC=C1C2=C(C=C(C=C2F)N3C[C@@H](OC3=O)COC4=NOC=C4)F)C(=O)[C@H](CO)O"	"HBUJYEUPIIJJOS-PBHICJAKSA-N"	"InChI=1S/C21H21F2N3O7/c22-15-7-13(26-9-14(33-21(26)30)11-31-18-3-6-32-24-18)8-16(23)19(15)12-1-4-25(5-2-12)20(29)17(28)10-27/h1,3,6-8,14,17,27-28H,2,4-5,9-11H2/t14-,17+/m1/s1"	""	""	"yes"
"10967"	"poststatin"	""	"Natural product"	""	""	""	""	"405560408"	"164380"	""	""	""	""	""	""	""	"(2S)-2-[[(2R)-2-[[(3S)-3-amino-2-oxopentanoyl]amino]-4-methylpentanoyl]-[(2S,6S)-2,6-diamino-3,7-dimethyl-5-oxooctanoyl]amino]-3-methylbutanoic acid"	""	"L-Val-L-Val-3-amino-2-oxo-valeryl-D-Leu-L-Val"	"CC[C@@H](C(=O)C(=O)N[C@@H](C(=O)N(C(=O)[C@H](C(CC(=O)[C@H](C(C)C)N)C)N)[C@H](C(=O)O)C(C)C)CC(C)C)N"	"UNPBSZUDTFBULK-CZCKBYKRSA-N"	"InChI=1S/C26H47N5O7/c1-9-16(27)22(33)23(34)30-17(10-12(2)3)24(35)31(21(14(6)7)26(37)38)25(36)20(29)15(8)11-18(32)19(28)13(4)5/h12-17,19-21H,9-11,27-29H2,1-8H3,(H,30,34)(H,37,38)/t15?,16-,17+,19-,20-,21-/m0/s1"	""	""	"yes"
"13216"	"potrasertib"	""	"Synthetic organic"	""	""	""	""	"491299998"	"139503236"	""	""	""	""	""	""	""	""	""	"example 77 [WO2018090939]"	"ClC1=C(C(=CC=C1)Cl)N2C=3N(C4=C(C2=O)C=NC(=N4)NC5=CC(=C(C=C5)N6C[C@H](N([C@H](C6)C)C)C)C)CCN3"	"BNVDJVMTLDUCGH-HDICACEKSA-N"	"InChI=1S/C28H30Cl2N8O/c1-16-12-19(8-9-23(16)36-14-17(2)35(4)18(3)15-36)33-27-32-13-20-25(34-27)37-11-10-31-28(37)38(26(20)39)24-21(29)6-5-7-22(24)30/h5-9,12-13,17-18H,10-11,14-15H2,1-4H3,(H,32,33,34)/t17-,18+"	""	""	""
"14426"	"povetacicept"	""	"Peptide"	""	""	""	""	"523352218"	"0"	""	""	""	""	""	""	""	""	"povetacicept"	"ALPN-303|TACI vTD-Fc"	""	""	""	"yes"	""	""
"11881"	"povorcitinib"	""	"Synthetic organic"	""	""	""	""	"461663437"	"86280672"	""	""	""	""	""	""	""	"4-[3-(cyanomethyl)-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazol-1-yl]azetidin-1-yl]-2,5-difluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide"	"povorcitinib"	"compound 7 [US20210238168A1]|Povofortay&reg;"	"C(#N)CC1(CN(C1)c1cc(c(C(=O)N[C@H](C(F)(F)F)C)cc1F)F)n1ncc(c1)c1c(n[nH]c1C)C"	"MSGYSFWCPOBHEV-AWEZNQCLSA-N"	"InChI=1S/C23H22F5N7O/c1-12-20(13(2)33-32-12)15-8-30-35(9-15)22(4-5-29)10-34(11-22)19-7-17(24)16(6-18(19)25)21(36)31-14(3)23(26,27)28/h6-9,14H,4,10-11H2,1-3H3,(H,31,36)(H,32,33)/t14-/m0/s1"	"yes"	""	""
"12900"	"pozelimab"	""	"Antibody"	"yes"	""	""	""	"485206021"	"0"	""	""	""	""	""	""	""	""	"pozelimab"	"pozelimab-bbfg|REGN-3918|REGN3918|Veopoz&reg;"	""	""	""	"yes"	""	""
"7903"	"poziotinib"	""	"Synthetic organic"	""	""	""	""	"249565586"	"25127713"	""	""	""	""	""	""	""	"1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one"	"poziotinib"	"HM781-36B|NOV120101"	"C=CC(=O)N1CCC(CC1)Oc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1F)Cl)Cl"	"LPFWVDIFUFFKJU-UHFFFAOYSA-N"	"InChI=1S/C23H21Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h3-5,10-13H,1,6-9H2,2H3,(H,27,28,29)"	""	""	""
"8836"	"PP1"	""	"Synthetic organic"	""	""	""	""	"252827493"	"1400"	""	""	"CHEMBL306380"	""	""	""	""	"1-tert-butyl-3-(4-methylphenyl)pyrazolo[4,5-e]pyrimidin-4-amine"	""	"pyrazolopyrimidine 1"	"Cc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C"	"ZVPDNRVYHLRXLX-UHFFFAOYSA-N"	"InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)"	""	""	""
"8013"	"PP121"	""	"Synthetic organic"	""	""	""	""	"249565693"	"24905142"	""	""	"CHEMBL1081312"	""	""	""	""	"1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine"	""	"PP 121|PP-121"	"Nc1ncnc2c1c(nn2C1CCCC1)c1cnc2c(c1)cc[nH]2"	"NVRXTLZYXZNATH-UHFFFAOYSA-N"	"InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)"	""	""	""
"1550"	"PP-(13-36) (human)"	""	"Peptide"	""	""	""	""	"135652407"	"155817423"	""	""	""	""	""	""	""	""	""	"human pancreatic polypeptide (13-36)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O"	"QEGDVJSSWALCFX-INYLDASMSA-N"	"InChI=1S/C129H205N39O37S2/c1-14-64(6)100(121(200)163-89(60-96(132)176)115(194)154-83(46-54-207-13)112(191)159-86(56-63(4)5)117(196)166-101(69(11)170)122(201)157-84(24-18-50-145-129(140)141)123(202)167-51-19-25-92(167)119(198)155-78(23-17-49-144-128(138)139)108(187)164-91(125(204)205)59-72-31-37-75(173)38-32-72)165-118(197)88(58-71-29-35-74(172)36-30-71)162-107(186)77(22-16-48-143-127(136)137)150-106(185)76(21-15-47-142-126(134)135)151-114(193)85(55-62(2)3)160-116(195)90(61-98(179)180)158-104(183)66(8)146-102(181)65(7)148-113(192)87(57-70-27-33-73(171)34-28-70)161-111(190)79(39-42-94(130)174)149-103(182)67(9)147-105(184)82(45-53-206-12)153-109(188)80(40-43-95(131)175)152-110(189)81(41-44-97(177)178)156-120(199)93-26-20-52-168(93)124(203)99(133)68(10)169/h27-38,62-69,76-93,99-101,169-173H,14-26,39-61,133H2,1-13H3,(H2,130,174)(H2,131,175)(H2,132,176)(H,146,181)(H,147,184)(H,148,192)(H,149,182)(H,150,185)(H,151,193)(H,152,189)(H,153,188)(H,154,194)(H,155,198)(H,156,199)(H,157,201)(H,158,183)(H,159,191)(H,160,195)(H,161,190)(H,162,186)(H,163,200)(H,164,187)(H,165,197)(H,166,196)(H,177,178)(H,179,180)(H,204,205)(H4,134,135,142)(H4,136,137,143)(H4,138,139,144)(H4,140,141,145)/t64-,65-,66-,67-,68+,69+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,99-,100-,101-/m0/s1"	""	""	""
"6028"	"PP1 analog II"	""	"Synthetic organic"	""	""	""	""	"178102650"	"5154691"	""	""	"CHEMBL573578"	""	""	""	""	"1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine"	""	"1-naphthyl PP1|AC1NP9I6|mutant kinases inhibitor II|NM-PP1"	"Nc1ncnc2c1c(Cc1cccc3c1cccc3)nn2C(C)(C)C"	"GDQXJQSQYMMKRA-UHFFFAOYSA-N"	"InChI=1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23)"	""	""	""
"9404"	"PP2"	""	"Synthetic organic"	""	""	""	""	"328083506"	"4878"	""	""	"CHEMBL406845"	""	""	""	""	"1-tert-butyl-3-(4-chlorophenyl)pyrazolo[4,5-e]pyrimidin-4-amine"	""	""	"Clc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C"	"PBBRWFOVCUAONR-UHFFFAOYSA-N"	"InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)"	"yes"	""	""
"1552"	"PP-(20-36) (human)"	""	"Peptide"	""	""	""	""	"135652408"	"155817425"	""	""	""	""	""	""	""	""	""	"human pancreatic polypeptide (20-36)"	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O"	"CPUYPLDQPHAQJS-RCZLJNPTSA-N"	"InChI=1S/C88H145N29O23S/c1-11-45(6)67(115-79(134)60(39-49-22-26-51(119)27-23-49)112-72(127)54(18-13-32-100-86(93)94)104-71(126)53(17-12-31-99-85(91)92)105-75(130)58(37-43(2)3)111-77(132)62(42-66(122)123)109-70(125)47(8)103-69(124)46(7)89)81(136)113-61(41-65(90)121)76(131)106-56(30-36-141-10)74(129)110-59(38-44(4)5)78(133)116-68(48(9)118)82(137)108-57(20-15-34-102-88(97)98)83(138)117-35-16-21-64(117)80(135)107-55(19-14-33-101-87(95)96)73(128)114-63(84(139)140)40-50-24-28-52(120)29-25-50/h22-29,43-48,53-64,67-68,118-120H,11-21,30-42,89H2,1-10H3,(H2,90,121)(H,103,124)(H,104,126)(H,105,130)(H,106,131)(H,107,135)(H,108,137)(H,109,125)(H,110,129)(H,111,132)(H,112,127)(H,113,136)(H,114,128)(H,115,134)(H,116,133)(H,122,123)(H,139,140)(H4,91,92,99)(H4,93,94,100)(H4,95,96,101)(H4,97,98,102)/t45-,46-,47-,48+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,67-,68-/m0/s1"	""	""	""
"1551"	"PP-(2-36) (human)"	""	"Peptide"	""	""	""	""	"135652409"	"155817424"	""	""	""	""	""	""	""	""	""	"human pancreatic polypeptide (2-36)"	"CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"	"QYQMWBRWIUIJOU-ARBPZFHVSA-N"	"InChI=1S/C131H197N35O42S/c1-62(2)53-84(118(196)150-77(20-14-47-140-130(135)136)111(189)149-78(21-15-48-141-131(137)138)112(190)161-91(129(207)208)57-72-29-35-75(170)36-30-72)157-121(199)89(60-102(181)182)155-107(185)66(8)143-105(183)65(7)145-116(194)86(55-70-25-31-73(168)32-26-70)158-115(193)79(37-41-95(132)171)148-106(184)67(9)144-110(188)82(45-52-209-12)152-113(191)80(38-42-96(133)172)151-114(192)81(39-43-99(175)176)153-123(201)93-23-18-51-166(93)128(206)104(69(11)167)163-108(186)68(10)146-117(195)87(58-97(134)173)159-120(198)88(59-101(179)180)147-98(174)61-142-122(200)92-22-16-49-164(92)127(205)90(56-71-27-33-74(169)34-28-71)160-125(203)103(64(5)6)162-124(202)94-24-17-50-165(94)126(204)83(40-44-100(177)178)154-119(197)85(54-63(3)4)156-109(187)76-19-13-46-139-76/h25-36,62-69,76-94,103-104,139,167-170H,13-24,37-61H2,1-12H3,(H2,132,171)(H2,133,172)(H2,134,173)(H,142,200)(H,143,183)(H,144,188)(H,145,194)(H,146,195)(H,147,174)(H,148,184)(H,149,189)(H,150,196)(H,151,192)(H,152,191)(H,153,201)(H,154,197)(H,155,185)(H,156,187)(H,157,199)(H,158,193)(H,159,198)(H,160,203)(H,161,190)(H,162,202)(H,163,186)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,207,208)(H4,135,136,140)(H4,137,138,141)/t65-,66-,67-,68-,69+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,103-,104-/m0/s1"	""	""	""
"5704"	"PP-242"	""	"Synthetic organic"	""	""	""	""	"178102331"	"135565635"	""	""	"CHEMBL1241674"	""	""	""	""	"2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol"	""	"PP242|TORKinib"	"Oc1ccc2c(c1)cc([nH]2)c1nn(c2c1c(N)ncn2)C(C)C"	"MFAQYJIYDMLAIM-UHFFFAOYSA-N"	"InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)"	""	""	""
"6029"	"PP3"	""	"Synthetic organic"	""	""	""	""	"178102651"	"4879"	""	""	"CHEMBL65063"	""	""	""	""	"1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine"	""	"SBB028425"	"Nc1ncnc2c1cnn2c1ccccc1"	"KKDPIZPUTYIBFX-UHFFFAOYSA-N"	"InChI=1S/C11H9N5/c12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)"	""	""	""
"1725"	"PPADS"	""	"Synthetic organic"	""	""	""	""	"135650843"	"4881"	""	""	"CHEMBL69234"	""	""	""	""	""	""	""	"O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C"	"PNFZSRRRZNXSMF-WUKNDPDISA-N"	"InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)/b17-16+"	""	""	""
"2490"	"PPAHV"	""	"Synthetic organic"	""	""	""	""	"53801086"	"3035862"	""	""	"CHEMBL104647"	""	""	""	""	""	""	"phorbol-12-phenylacetate-13-acetate-20-homovanillate"	"COc1cc(ccc1O)CC(=O)OCC1=C[C@H]2[C@@H]3C([C@]3(OC(=O)C)[C@@H]([C@H]([C@@]2([C@H]2[C@@](C1)(O)C(=O)C(=C2)C)O)C)OC(=O)Cc1ccccc1)(C)C"	"OGRGWTXWAZBJKF-JXWJAAHMSA-N"	"InChI=1S/C39H44O11/c1-21-14-30-37(45,34(21)44)19-26(20-48-31(42)18-25-12-13-28(41)29(16-25)47-6)15-27-33-36(4,5)39(33,50-23(3)40)35(22(2)38(27,30)46)49-32(43)17-24-10-8-7-9-11-24/h7-16,22,27,30,33,35,41,45-46H,17-20H2,1-6H3/t22-,27+,30-,33-,35-,37-,38-,39-/m1/s1"	""	""	""
"1438"	"PPG"	""	"Synthetic organic"	""	""	""	""	"135650844"	"444843"	""	""	""	""	""	""	""	"(E)-4-(2-aminoethoxy)-2-[[2-methyl-3-oxo-5-(phosphonooxymethyl)-2,6-dihydro-1H-pyridin-4-yl]methylamino]but-3-enoic acid"	""	"phosphonophenylglycine"	"NCCO/C=C/C(C(=O)O)NCC1=C(CNC(C1=O)C)COP(=O)(O)O"	"YUVPJAIAVDYTLF-DUXPYHPUSA-N"	"InChI=1S/C14H24N3O8P/c1-9-13(18)11(10(6-16-9)8-25-26(21,22)23)7-17-12(14(19)20)2-4-24-5-3-15/h2,4,9,12,16-17H,3,5-8,15H2,1H3,(H,19,20)(H2,21,22,23)/b4-2+"	""	""	""
"1561"	"[PP<sub>1-17</sub>,Ala<sup>31</sup>,Aib<sup>32</sup>]NPY (human)"	""	"Peptide"	""	""	""	""	"135652406"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5802"	"PPTN"	""	"Synthetic organic"	""	""	""	""	"178102427"	"42611190"	""	""	"CHEMBL1800685"	""	""	""	""	"4-[4-(piperidin-4-yl)phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid"	""	"4-((piperindin-4-yl)-phenyl)-(7-(4-(trifluoromethyl)-phenyl)-2-naphthoic acid"	"OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F"	"FOECKIWHCOYYFL-UHFFFAOYSA-N"	"InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)"	""	""	""
"5048"	"PQ401"	""	"Synthetic organic"	""	""	""	""	"178101743"	"9549305"	""	""	"CHEMBL439259"	""	""	""	""	"3-(5-chloro-2-methoxyphenyl)-1-(2-methylquinolin-4-yl)urea"	""	"IGF-1R inhibitor II|PQ 401|PQ-401"	"COc1ccc(cc1NC(=O)Nc1cc(C)nc2c1cccc2)Cl"	"YBLWOZUPHDKFOT-UHFFFAOYSA-N"	"InChI=1S/C18H16ClN3O2/c1-11-9-15(13-5-3-4-6-14(13)20-11)21-18(23)22-16-10-12(19)7-8-17(16)24-2/h3-10H,1-2H3,(H2,20,21,22,23)"	""	""	""
"9454"	"PQA-18"	""	"Synthetic organic"	""	""	""	""	"329968394"	"46910769"	""	""	"CHEMBL3355920"	""	""	""	""	"3-methylbut-2-enyl 4-methoxy-8-(3-methylbut-2-enoxy)quinoline-2-carboxylate"	""	""	"CC(=CCOc1cc(nc2c1cccc2OCC=C(C)C)C(=O)OCC=C(C)C)C"	"APPXFGJVXDYNBO-UHFFFAOYSA-N"	"InChI=1S/C25H31NO4/c1-17(2)10-13-28-22-9-7-8-20-23(29-14-11-18(3)4)16-21(26-24(20)22)25(27)30-15-12-19(5)6/h7-12,16H,13-15H2,1-6H3"	"yes"	""	""
"10142"	"PQR620"	""	"Synthetic organic"	""	""	""	""	"381118852"	"121334520"	""	""	""	""	""	""	""	"5-[4,6-bis(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine"	""	"compound 3 [PMID: 30359003]|PQR-620"	"Nc1ncc(c(c1)C(F)F)c1nc(nc(n1)N1C2COCC1CC2)N1C2COCC1CC2"	"UGDKPWVVBKHRDK-UHFFFAOYSA-N"	"InChI=1S/C21H25F2N7O2/c22-18(23)15-5-17(24)25-6-16(15)19-26-20(29-11-1-2-12(29)8-31-7-11)28-21(27-19)30-13-3-4-14(30)10-32-9-13/h5-6,11-14,18H,1-4,7-10H2,(H2,24,25)"	""	""	""
"8263"	"pr1 nanopeptide"	""	"Peptide"	""	""	""	""	"249565942"	"11672494"	""	""	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)C(C)C"	"WOACUGNMTZAEJZ-GXLXRQKGSA-N"	"InChI=1S/C45H79N11O15/c1-19(2)16-27(40(65)52-29(18-31(47)59)41(66)54-34(22(7)8)43(68)56-36(24(11)57)44(69)55-35(23(9)10)45(70)71)51-38(63)26(13-15-32(60)61)49-37(62)25(12-14-30(46)58)50-39(64)28(17-20(3)4)53-42(67)33(48)21(5)6/h19-29,33-36,57H,12-18,48H2,1-11H3,(H2,46,58)(H2,47,59)(H,49,62)(H,50,64)(H,51,63)(H,52,65)(H,53,67)(H,54,66)(H,55,69)(H,56,68)(H,60,61)(H,70,71)/t24-,25+,26+,27+,28+,29+,33+,34+,35+,36+/m1/s1"	""	""	""
"8365"	"pracinostat"	""	"Synthetic organic"	""	""	""	""	"252166577"	"49855250"	""	""	"CHEMBL1851943"	""	""	""	""	"(2E)-3-{2-butyl-1-[2-(diethylamino)ethyl]-1H-1,3-benzodiazol-5-yl}-N-hydroxyprop-2-enamide"	"pracinostat"	"SB 939|SB-939"	"CCCCc1nc2c(n1CCN(CC)CC)ccc(c2)/C=C/C(=O)NO"	"JHDKZFFAIZKUCU-ZRDIBKRKSA-N"	"InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+"	""	""	""
"555"	"practolol"	""	"Synthetic organic"	"yes"	""	""	""	"135650846"	"4883"	""	""	"CHEMBL6995"	""	""	""	""	"N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide"	"practolol"	"AY-21011|ICI-50172"	"OC(COc1ccc(cc1)NC(=O)C)CNC(C)C"	"DURULFYMVIFBIR-UHFFFAOYSA-N"	"InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)"	""	""	""
"7830"	"pradigastat"	""	"Synthetic organic"	""	""	""	""	"223366161"	"53387035"	""	""	"CHEMBL2364624"	""	""	""	""	"2-{4-[4-(5-{[6-(trifluoromethyl)pyridin-3-yl]amino}pyridin-2-yl)phenyl]cyclohexyl}acetic acid"	"pradigastat"	"LCQ-908|LCQ908"	"OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1ccc(cn1)Nc1ccc(nc1)C(F)(F)F"	"GXALXAKNHIROPE-QAQDUYKDSA-N"	"InChI=1S/C25H24F3N3O2/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33/h5-12,14-17,31H,1-4,13H2,(H,32,33)/t16-,17-"	""	""	""
"13687"	"pradofloxacin"	""	"Synthetic organic"	""	""	""	""	"507750321"	"9802884"	""	""	"CHEMBL1256815"	""	""	""	""	"7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid"	"pradofloxacin"	"Veraflox&reg; (veterinary)"	"C1C[C@H]2CN(C[C@H]2NC1)C3=C(C=C4C(=C3C#N)N(C=C(C4=O)C(=O)O)C5CC5)F"	"LZLXHGFNOWILIY-APPDUMDISA-N"	"InChI=1S/C21H21FN4O3/c22-16-6-13-18(26(12-3-4-12)9-15(20(13)27)21(28)29)14(7-23)19(16)25-8-11-2-1-5-24-17(11)10-25/h6,9,11-12,17,24H,1-5,8,10H2,(H,28,29)/t11-,17+/m0/s1"	""	""	"yes"
"6840"	"pralatrexate"	""	"Synthetic organic"	"yes"	""	""	""	"178103446"	"148121"	""	""	"CHEMBL1201746"	""	""	""	""	"(2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acid"	"pralatrexate"	"Folotyn&reg;|PDX"	"C#CCC(c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1cnc2c(n1)c(N)nc(n2)N"	"OGSBUKJUDHAQEA-WMCAAGNKSA-N"	"InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1"	""	""	""
"9900"	"praliciguat"	""	"Synthetic organic"	""	""	""	""	"363894194"	"86269973"	""	""	""	""	""	""	""	"1,1,1-trifluoro-3-[(5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-yl)amino]-2-(trifluoromethyl)propan-2-ol"	"praliciguat"	"IW-1973|IW1973"	"Fc1cnc(nc1NCC(C(F)(F)F)(C(F)(F)F)O)c1nn(c(c1)c1nocc1)Cc1ccccc1F"	"CYSJNTQNMDWAJV-UHFFFAOYSA-N"	"InChI=1S/C21H14F8N6O2/c22-12-4-2-1-3-11(12)9-35-16(14-5-6-37-34-14)7-15(33-35)18-30-8-13(23)17(32-18)31-10-19(36,20(24,25)26)21(27,28)29/h1-8,36H,9-10H2,(H,30,31,32)"	"yes"	""	""
"7597"	"pralidoxime"	""	"Synthetic organic"	"yes"	""	""	""	"223365932"	"4884"	""	""	"CHEMBL1420"	""	""	""	""	"(1-methylpyridin-2-ylidene)methyl-oxoazanium"	"pralidoxime iodide"	"2-PAM|Contrathion&reg;|pralidoxime chloride"	"O/N=C/c1cccc[n+]1C"	"JBKPUQTUERUYQE-UHFFFAOYSA-O"	"InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1"	""	""	""
"1092"	"pralmorelin"	""	"Peptide"	"yes"	""	""	""	"135652164"	"6918245"	""	""	"CHEMBL106593"	""	""	""	""	"(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide"	"pralmorelin"	"GHRP-2|growth hormone-releasing peptide-2|KP 102"	"NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)[C@H](N)C)C"	"HRNLPPBUBKMZMT-RDRUQFPZSA-N"	"InChI=1S/C45H55N9O6/c1-27(47)41(56)52-38(24-30-19-20-31-14-6-7-15-32(31)22-30)43(58)50-28(2)42(57)53-39(25-33-26-49-35-17-9-8-16-34(33)35)45(60)54-37(23-29-12-4-3-5-13-29)44(59)51-36(40(48)55)18-10-11-21-46/h3-9,12-17,19-20,22,26-28,36-39,49H,10-11,18,21,23-25,46-47H2,1-2H3,(H2,48,55)(H,50,58)(H,51,59)(H,52,56)(H,53,57)(H,54,60)/t27-,28+,36+,37-,38-,39+/m1/s1"	""	""	""
"6467"	"pralnacasan"	""	"Synthetic organic"	""	""	""	""	"178103081"	"153270"	""	""	"CHEMBL437526"	""	""	""	""	"(1S,9S)-N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]-9-(isoquinoline-1-carbonylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-1-carboxamide"	"pralnacasan"	"VX-740|VX740"	"CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1nccc2c1cccc2"	"CXAGHAZMQSCAKJ-WAHHBDPQSA-N"	"InChI=1S/C26H29N5O7/c1-2-37-26-18(14-21(33)38-26)29-23(34)19-8-5-13-30-20(32)10-9-17(25(36)31(19)30)28-24(35)22-16-7-4-3-6-15(16)11-12-27-22/h3-4,6-7,11-12,17-19,26H,2,5,8-10,13-14H2,1H3,(H,28,35)(H,29,34)/t17-,18-,19-,26+/m0/s1"	"yes"	""	""
"10033"	"pralsetinib"	""	"Synthetic organic"	"yes"	""	""	""	"375973221"	"129073603"	""	""	""	""	""	""	""	"N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridin-3-yl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide"	"pralsetinib"	"BLU-667|BLU667|Gavreto&reg;"	"CO[C@@]1(CC[C@@H](CC1)c1nc(C)cc(n1)Nc1n[nH]c(c1)C)C(=O)N[C@H](c1ccc(nc1)n1ncc(c1)F)C"	"GBLBJPZSROAGMF-RWYJCYHVSA-N"	"InChI=1S/C27H32FN9O2/c1-16-11-22(33-23-12-17(2)35-36-23)34-25(31-16)19-7-9-27(39-4,10-8-19)26(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36)/t18-,19-,27+/m0/s1"	""	""	""
"13037"	"pralurbactam"	""	"Synthetic organic"	""	""	""	""	"485206158"	"155048066"	""	""	""	""	""	""	""	"[(2S,5R)-2-[2-(diaminomethylideneamino)oxyethoxycarbamoyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate"	"pralurbactam"	""	"C(NOCCONC(=N)N)(=O)[C@H]1[N@@]2C(=O)N(OS(=O)(=O)O)[C@@](C2)(CC1)[H]"	"HOJIPBUGHMYVQD-RQJHMYQMSA-N"	"InChI=1S/C10H18N6O8S/c11-9(12)14-23-4-3-22-13-8(17)7-2-1-6-5-15(7)10(18)16(6)24-25(19,20)21/h6-7H,1-5H2,(H,13,17)(H4,11,12,14)(H,19,20,21)/t6-,7+/m1/s1"	""	""	"yes"
"953"	"pramipexole"	""	"Synthetic organic"	"yes"	""	""	""	"135650847"	"119570"	""	""	"CHEMBL301265"	""	""	""	""	"(6S)-N'-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine"	"pramipexole"	"Mirapex&reg;|Mirapexin&reg;|Sifrol&reg;|SND-919CL2Y|U-98528E"	"CCCN[C@H]1CCc2c(C1)sc(n2)N"	"FASDKYOPVNHBLU-ZETCQYMHSA-N"	"InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1"	""	""	""
"7482"	"pramlintide"	""	"Peptide"	"yes"	""	""	""	"187051785"	"0"	""	""	""	""	""	""	""	""	"pramlintide"	"AC0137|Symlin&reg;"	""	""	""	""	""	""
"874"	"pranazepide"	""	"Synthetic organic"	""	""	""	""	"135650262"	"132916"	""	""	"CHEMBL300072"	""	""	""	""	"N-[(11S)-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.0^{4,13}]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide"	"pranazepide"	"FK 480|FK-480|FR-120480"	"O=C(c1cc2c([nH]1)cccc2)N[C@H]1N=C(c2ccccc2F)c2c3N(C1=O)CCc3ccc2"	"WKJDXKWFGJWGAS-XMMPIXPASA-N"	"InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m1/s1"	""	""	""
"3634"	"pranlukast"	""	"Synthetic organic"	"yes"	""	""	""	"178100541"	"4887"	""	""	"CHEMBL21333"	""	""	""	""	"N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide"	"pranlukast"	"ONO RS-411"	"O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1"	"NBQKINXMPLXUET-UHFFFAOYSA-N"	"InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)"	"yes"	""	""
"13330"	"prasinezumab"	""	"Antibody"	""	""	""	""	"496703300"	"0"	""	""	""	""	""	""	""	""	"prasinezumab"	"PRX002|RG-7935|RG7935|RO-7046015|RO7046015"	""	""	""	""	""	""
"7562"	"prasugrel"	""	"Synthetic organic"	"yes"	""	""	""	"223365898"	"6918456"	""	""	"CHEMBL1201772"	""	""	""	""	"[5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[4,5-c]pyridin-2-yl] acetate"	"prasugrel"	"CS-747|Effient&reg;|Efient&reg;"	"CC(=O)Oc1sc2c(c1)CN(CC2)C(c1ccccc1F)C(=O)C1CC1"	"DTGLZDAWLRGWQN-UHFFFAOYSA-N"	"InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3"	""	""	""
"2953"	"pravastatin"	""	"Synthetic organic"	"yes"	""	""	""	"135650848"	"54687"	""	""	"CHEMBL1144"	""	""	""	""	"(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid"	"pravastatin"	"Lipostat&reg;|Pravachol&reg;|pravastatin sodium"	"CC[C@@H](C(=O)O[C@H]1C[C@H](O)C=C2[C@H]1[C@@H](CC[C@H](C[C@H](CC(=O)O)O)O)[C@H](C=C2)C)C"	"TUZYXOIXSAXUGO-PZAWKZKUSA-N"	"InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1"	""	""	""
"13590"	"pravibismane"	""	"Synthetic organic"	""	""	""	""	"504705409"	"10327332"	""	""	"CHEMBL5314962"	""	""	""	""	"2-[2-(1,3,2-dithiabismolan-2-ylsulfanyl)ethylsulfanyl]-1,3,2-dithiabismolane"	"pravibismane"	"BisEDT|MBN-101"	"C1CS[Bi](S1)SCCS[Bi]2SCCS2"	"GUTNLKRPYCTIHX-UHFFFAOYSA-H"	"InChI=1S/3C2H6S2.2Bi/c3*3-1-2-4;;/h3*3-4H,1-2H2;;/q;;;2*+3/p-6"	""	""	"yes"
"7275"	"prazepam"	""	"Synthetic organic"	"yes"	""	""	""	"178103849"	"4890"	""	""	"CHEMBL969"	""	""	""	""	"7-chloro-1-(cyclopropylmethyl)-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one"	"prazepam"	"Centrax&reg;|W-4020"	"Clc1ccc2c(c1)C(=NCC(=O)N2CC1CC1)c1ccccc1"	"MWQCHHACWWAQLJ-UHFFFAOYSA-N"	"InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2"	""	""	""
"503"	"prazosin"	""	"Synthetic organic"	"yes"	""	""	""	"135650849"	"4893"	""	""	"CHEMBL2"	""	""	""	""	"[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-furan-2-ylmethanone"	"prazosin"	"CP-12299-1|Hypovase&reg;|Minipress&reg;|prazosine"	"COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1"	"IENZQIKPVFGBNW-UHFFFAOYSA-N"	"InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)"	""	""	""
"10716"	"PRD_002214"	""	"Synthetic organic"	""	""	""	""	"405067310"	"146025593"	""	""	""	""	""	""	""	"benzyl (2Z,4S)-4-[(2S)-4-methyl-2-[(2S)-3-methyl-2-[(2S)-2-[(5-methyl-1,2-oxazol-3-yl)formamido]propanamido]butanamido]pentanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate"	""	"inhibitor N3|N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE"	"CC(C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)/C=C\C(=O)OCc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)c1noc(c1)C)C)C"	"IDBWWEGDLCFCTD-NQJFWITJSA-N"	"InChI=1S/C35H48N6O8/c1-20(2)16-27(39-35(47)30(21(3)4)40-31(43)23(6)37-34(46)28-17-22(5)49-41-28)33(45)38-26(18-25-14-15-36-32(25)44)12-13-29(42)48-19-24-10-8-7-9-11-24/h7-13,17,20-21,23,25-27,30H,14-16,18-19H2,1-6H3,(H,36,44)(H,37,46)(H,38,45)(H,39,47)(H,40,43)/b13-12-/t23-,25-,26+,27-,30-/m0/s1"	""	""	""
"6678"	"PRE-084"	""	"Synthetic organic"	""	""	""	""	"178103290"	"126402"	""	""	"CHEMBL305881"	""	""	""	""	"2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate"	""	"PRE084"	"O=C(C1(CCCCC1)c1ccccc1)OCCN1CCOCC1"	"RQHKZUBCUZVZEF-UHFFFAOYSA-N"	"InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2"	""	""	""
"7605"	"prednicarbate"	""	"Synthetic organic"	"yes"	""	""	""	"223365940"	"6714002"	""	""	"CHEMBL1200386"	""	""	""	""	"[2-[(8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate"	"prednicarbate"	"Dermatop&reg;|Hoe 777|Hoe-777|S-770777"	"CCOC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC"	"FNPXMHRZILFCKX-KAJVQRHHSA-N"	"InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1"	"yes"	""	""
"2866"	"prednisolone"	""	"Synthetic organic"	"yes"	""	""	""	"135650850"	"5755"	""	""	"CHEMBL131"	""	""	""	""	"(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one"	"prednisolone"	"DELTA.1-Cortisol|Orapred&reg;|Pediapred&reg;"	"OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C"	"OIGNJSKKLXVSLS-VWUMJDOOSA-N"	"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1"	"yes"	""	""
"7096"	"prednisone"	""	"Synthetic organic"	"yes"	""	""	""	"178103674"	"5865"	""	""	"CHEMBL635"	""	""	""	""	"(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione"	"prednisone"	"Lodotra&reg;|Sterapred&reg;"	"OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C"	"XOFYZVNMUHMLCC-ZPOLXVRWSA-N"	"InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1"	"yes"	""	""
"5484"	"pregabalin"	""	"Synthetic organic"	"yes"	""	""	""	"178102131"	"5486971"	""	""	"CHEMBL1059"	""	""	""	""	"(3S)-3-(aminomethyl)-5-methylhexanoic acid"	"pregabalin"	"(S)-pregabalin|CI 1008|Lyrica&reg;|Nervalin&reg;|PD 144723"	"NC[C@H](CC(=O)O)CC(C)C"	"AYXYPKUFHZROOJ-ZETCQYMHSA-N"	"InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1"	""	""	""
"11535"	"pregnanolone sulphate"	""	"Metabolite"	""	""	""	""	"441604907"	"44322229"	""	""	"CHEMBL1179566"	""	""	""	""	"[(3R,5R,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate"	""	"3 alpha-hydroxy-5 beta-pregnan-20-one sulfate|3&alpha;-hydroxy-5&beta;-pregnan-20-one sulfate"	"CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)OS(=O)(=O)O"	"MENQCIVHHONJLU-YZRLXODZSA-N"	"InChI=1S/C21H34O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H,23,24,25)/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1"	""	""	""
"2376"	"pregnenolone"	""	"Metabolite"	"yes"	""	""	""	"135651548"	"8955"	""	""	"CHEMBL253363"	""	""	""	""	"1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone"	"pregnenolone"	""	"O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2C(=O)C)C)C1)C"	"ORNBQBCIOKFOEO-QGVNFLHTSA-N"	"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1"	""	""	""
"2762"	"pregnenolone-16&alpha;-carbonitrile"	""	"Synthetic organic"	""	""	""	""	"135650852"	"15032"	""	""	"CHEMBL1400945"	""	""	""	""	"(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile"	""	"16&alpha;-carbonitrile, pregnenolone"	"N#C[C@@H]1C[C@@H]2[C@]([C@H]1C(=O)C)(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O"	"VSBHRRMYCDQLJF-ZDNYCOCVSA-N"	"InChI=1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1"	""	""	""
"4290"	"pregnenolone sulphate"	""	"Metabolite"	""	""	""	""	"178101107"	"105074"	""	""	"CHEMBL1179605"	""	""	""	""	"[(1S,2R,5S,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acid"	""	"pregnenolone sulfate|PREGS"	"CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)O"	"DIJBBUIOWGGQOP-QGVNFLHTSA-N"	"InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1"	""	""	""
"5614"	"preladenant"	""	"Synthetic organic"	""	""	""	""	"178102248"	"10117987"	""	""	"CHEMBL240624"	""	""	""	""	""	"preladenant"	"SCH-420814|SCH420814"	"COCCOc1ccc(cc1)N1CCN(CC1)CCn1ncc2c1nc(N)n1c2nc(n1)c1ccco1"	"DTYWJKSSUANMHD-UHFFFAOYSA-N"	"InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)"	"yes"	""	""
"10848"	"premafloxacin"	""	"Synthetic organic"	""	""	""	""	"405560289"	"71455"	""	""	"CHEMBL230599"	""	""	""	""	"1-cyclopropyl-6-fluoro-8-methoxy-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid"	"premafloxacin"	"compound 21 [PMID: 17303420]|U-95376|U95376"	"CN[C@H]([C@@H]1CCN(C1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1)C"	"SUQUWONDIBHQOZ-NWDGAFQWSA-N"	"InChI=1S/C21H26FN3O4/c1-11(23-2)12-6-7-24(9-12)18-16(22)8-14-17(20(18)29-3)25(13-4-5-13)10-15(19(14)26)21(27)28/h8,10-13,23H,4-7,9H2,1-3H3,(H,27,28)/t11-,12+/m0/s1"	""	""	"yes"
"537"	"prenalterol"	""	"Synthetic organic"	""	""	""	""	"135650853"	"42396"	""	""	"CHEMBL1160714"	""	""	""	""	"4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol"	"prenalterol"	"CGP 7760B"	"O[C@H](COc1ccc(cc1)O)CNC(C)C"	"ADUKCCWBEDSMEB-NSHDSACASA-N"	"InChI=1S/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3/t11-/m0/s1"	""	""	""
"3053"	"presqualene diphosphate"	""	"Metabolite"	""	""	""	""	"135651549"	"5280592"	""	""	"CHEMBL1213010"	""	""	""	""	"[(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methyl phosphono hydrogen phosphate"	""	"presqualene pyrophosphate|Z-PSDP"	"C/C(=C\CC/C(=C/[C@H]1[C@@H]([C@@]1(C)CC/C=C(/CCC=C(C)C)\C)COP(=O)(OP(=O)(O)O)O)/C)/CCC=C(C)C"	"ATZKAUGGNMSCCY-VYCBRMPGSA-N"	"InChI=1S/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H,34,35)(H2,31,32,33)/b25-17+,26-19+,27-21+/t28-,29-,30-/m0/s1"	""	""	""
"11172"	"pretomanid"	""	"Synthetic organic"	"yes"	""	""	""	"434122232"	"456199"	""	""	"CHEMBL227875"	""	""	""	""	""	"pretomanid"	"PA-824|PA824"	"[O-][N+](=O)c1cn2c(n1)OC[C@H](C2)OCc1ccc(cc1)OC(F)(F)F"	"ZLHZLMOSPGACSZ-NSHDSACASA-N"	"InChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1"	""	""	"yes"
"9549"	"prexasertib"	""	"Synthetic organic"	""	""	""	""	"336446935"	"46700756"	""	""	"CHEMBL3544911"	""	""	""	""	"5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile"	"prexasertib"	"LY2606368"	"NCCCOc1cccc(c1c1[nH]nc(c1)Nc1cnc(cn1)C#N)OC"	"DOTGPNHGTYJDEP-UHFFFAOYSA-N"	"InChI=1S/C18H19N7O2/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25)"	""	""	""
"13833"	"pridopidine"	""	"Synthetic organic"	""	""	""	""	"513757518"	"9795739"	""	""	"CHEMBL596802"	""	""	""	""	"4-(3-methylsulfonylphenyl)-1-propylpiperidine"	"pridopidine"	"ACR-16|ACR16|compound 12b [PMID: 20155917]"	"CCCN1CCC(CC1)C2=CC(=CC=C2)S(=O)(=O)C"	"YGKUEOZJFIXDGI-UHFFFAOYSA-N"	"InChI=1S/C15H23NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-6,12-13H,3,7-11H2,1-2H3"	""	""	""
"14653"	"prifemilast"	""	"Synthetic organic"	""	""	""	""	"530846901"	"155670934"	""	""	""	""	""	""	""	"trans-4-[1-(3-Chlorophenyl)-1,4-dihydro-7-methoxy-2,4-dioxopyrimido[5,4-c]quinolin-3(2H)-yl]cyclohexanecarboxylic acid"	"prifemilast"	"COMPOUND I [WO2022005494]|HPP-737|HPP737|HY-1999"	"O=C1N(C2=C3C(C(OC)=CC=C3)=NC=C2C(=O)N1[C@@H]4CC[C@@H](C(O)=O)CC4)C5=CC(Cl)=CC=C5"	"SMGRCNCCYFMFAP-KOMQPUFPSA-N"	"InChI=1S/C25H22ClN3O5/c1-34-20-7-3-6-18-21(20)27-13-19-22(18)28(17-5-2-4-15(26)12-17)25(33)29(23(19)30)16-10-8-14(9-11-16)24(31)32/h2-7,12-14,16H,8-11H2,1H3,(H,31,32)/t14-,16-"	"yes"	""	""
"14088"	"prifetrastat"	""	"Synthetic organic"	""	""	""	""	"518520715"	"155411211"	""	""	""	""	""	""	""	"2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide"	"prifetrastat"	"example 34 [WO2020254946]|PF-07248144|PF07248144"	"COC1=CC=CC=C1S(=O)(=O)NC2=NOC3=C2C(=CC(=C3)CN4C=CC=N4)OC"	"RCBWSTJGOASLEO-UHFFFAOYSA-N"	"InChI=1S/C19H18N4O5S/c1-26-14-6-3-4-7-17(14)29(24,25)22-19-18-15(27-2)10-13(11-16(18)28-21-19)12-23-9-5-8-20-23/h3-11H,12H2,1-2H3,(H,21,22)"	""	""	""
"7276"	"prilocaine"	""	"Synthetic organic"	"yes"	""	""	""	"178103850"	"4906"	""	""	"CHEMBL1194"	""	""	""	""	"N-(2-methylphenyl)-2-(propylamino)propanimidic acid"	"prilocaine"	"ASTRA 1512|L-67|Prilotekal&reg;"	"CCCNC(C(=Nc1ccccc1C)O)C"	"MVFGUOIZUNYYSO-UHFFFAOYSA-N"	"InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)"	""	""	""
"9952"	"primaquine"	""	"Synthetic organic"	"yes"	""	""	""	"374883839"	"4908"	""	""	"CHEMBL506"	""	""	""	""	"N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine"	"primaquine"	""	"NCCCC(Nc1cc(OC)cc2c1nccc2)C"	"INDBQLZJXZLFIT-UHFFFAOYSA-N"	"InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3"	""	"yes"	""
"5338"	"primidone"	""	"Synthetic organic"	"yes"	""	""	""	"178102002"	"4909"	""	""	"CHEMBL856"	""	""	""	""	"5-ethyl-5-phenyl-1,3-diazinane-4,6-dione"	"primidone"	"Mysoline&reg;"	"CCC1(C(=O)NCNC1=O)c1ccccc1"	"DQMZLTXERSFNPB-UHFFFAOYSA-N"	"InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)"	""	""	""
"6700"	"prinaberel"	""	"Synthetic organic"	""	""	""	""	"178103311"	"656954"	""	""	"CHEMBL450940"	""	""	""	""	""	"prinaberel"	"ERB 041|ERB-041|PF-00913086"	"C=Cc1cc(O)cc2c1oc(n2)c1ccc(c(c1)F)O"	"MQIMZDXIAHJKQP-UHFFFAOYSA-N"	"InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2"	""	""	""
"6505"	"prinomastat"	""	"Synthetic organic"	""	""	""	""	"178103119"	"466151"	""	""	"CHEMBL75094"	""	""	""	""	"(3S)-N-hydroxy-2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonylthiomorpholine-3-carboxamide"	"prinomastat"	"AG-3340"	"ONC(=O)[C@@H]1N(CCSC1(C)C)S(=O)(=O)c1ccc(cc1)Oc1ccncc1"	"YKPYIPVDTNNYCN-INIZCTEOSA-N"	"InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1"	""	""	""
"2676"	"pristanic acid"	""	"Metabolite"	""	""	""	""	"135651550"	"9971931"	""	""	""	""	""	""	""	"(2S,6R,10R)-2,6,10,14-tetramethylpentadecanoic acid"	""	""	"C[C@@H](CCC[C@@H](C(=O)O)C)CCC[C@@H](CCCC(C)C)C"	"PAHGJZDQXIOYTH-KURKYZTESA-N"	"InChI=1S/C19H38O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(20)21/h15-18H,6-14H2,1-5H3,(H,20,21)/t16-,17-,18+/m1/s1"	""	""	""
"13530"	"pristimerin"	""	"Natural product"	""	""	""	""	"500839940"	"159516"	""	""	"CHEMBL54804"	""	""	""	""	"methyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate"	""	"celastrol methyl ester"	"CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)OC)C)C)C)C)O"	"JFACETXYABVHFD-WXPPGMDDSA-N"	"InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1"	""	""	""
"12934"	"pristinamycin IA"	""	"Natural product"	"yes"	""	""	""	"485206055"	"11136668"	""	""	"CHEMBL1256399"	""	""	""	""	"N-[(3S,6S,12R,15S,16R,19S,22S)-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0<sup>6,10</sup>]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide"	"pristinamycin"	"mikamycin B|ostreogrycin B|Pyostacine&reg;|virginiamycin B"	"CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CCC(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=C(C=C6)N(C)C)C"	"YGXCETJZBDTKRY-DZCVGBHJSA-N"	"InChI=1S/C45H54N8O10/c1-6-31-42(59)52-22-11-14-32(52)43(60)51(5)34(24-27-16-18-29(19-17-27)50(3)4)44(61)53-23-20-30(54)25-33(53)39(56)49-37(28-12-8-7-9-13-28)45(62)63-26(2)36(40(57)47-31)48-41(58)38-35(55)15-10-21-46-38/h7-10,12-13,15-19,21,26,31-34,36-37,55H,6,11,14,20,22-25H2,1-5H3,(H,47,57)(H,48,58)(H,49,56)/t26-,31-,32+,33+,34+,36+,37+/m1/s1"	""	""	"yes"
"12933"	"pristinamycin IIA"	""	"Natural product"	"yes"	""	""	""	"485206054"	"5459319"	""	""	"CHEMBL1236670"	""	""	""	""	"(10R,11R,12E,17E,19E,21S)-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone"	"pristinamycin"	"mikamycin A|ostreogrycin A|Pyostacine&reg;|virginiamycin M<sub>1</sub>"	"C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)/C"	"DAIKHDNSXMZDCU-FQTGFAPKSA-N"	"InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1"	""	""	"yes"
"13222"	"privosegtor"	""	"Synthetic organic"	""	""	""	""	"491300004"	"66610682"	""	""	""	""	""	""	""	"N-[2-[(2-amino-2-oxoethyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]-2-oxoethyl]-2-[2-(2-fluorophenyl)ethylamino]-N-(2-methylpropyl)acetamide"	"privosegtor"	"BN-201|BN201|OCS-05"	"FC1=C(C=CC=C1)CCNCC(=O)N(CC(=O)N(CC(=O)N)CCCN2C(CCC2)=O)CC(C)C"	"ODCKWAPNRBCXHV-UHFFFAOYSA-N"	"InChI=1S/C25H38FN5O4/c1-19(2)16-31(24(34)15-28-11-10-20-7-3-4-8-21(20)26)18-25(35)30(17-22(27)32)14-6-13-29-12-5-9-23(29)33/h3-4,7-8,19,28H,5-6,9-18H2,1-2H3,(H2,27,32)"	""	""	""
"2066"	"PRL-2915"	""	"Peptide"	""	""	""	""	"135652410"	"0"	""	""	""	""	""	""	""	""	""	"PRL 2915"	""	""	""	""	""	""
"2067"	"PRL-2970"	""	"Peptide"	""	""	""	""	"135652411"	"0"	""	""	""	""	""	""	""	""	""	"PRL 2970"	""	""	""	""	""	""
"13678"	"PRMT5 inhibitor D3"	""	"Synthetic organic"	""	""	""	""	"507750312"	"156271775"	""	""	"CHEMBL5398215"	""	""	""	""	"7-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)amino]-2-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]spiro[3H-2,6-naphthyridine-4,1'-cyclopropane]-1-one"	""	"compound D3 [PMID: 39722476]"	"O=C1C2=CC(NC3CC4(CN(C(C)=O)C4)C3)=NC=C2C5(CC5)CN1C[C@H](O)CN6CCC7=C(C6)C=CC=C7"	"PEYPSWDNEDTZFS-XMMPIXPASA-N"	"InChI=1S/C30H37N5O3/c1-20(36)35-17-29(18-35)11-23(12-29)32-27-10-25-26(13-31-27)30(7-8-30)19-34(28(25)38)16-24(37)15-33-9-6-21-4-2-3-5-22(21)14-33/h2-5,10,13,23-24,37H,6-9,11-12,14-19H2,1H3,(H,31,32)/t24-/m1/s1"	""	""	""
"9788"	"PRN1371"	""	"Synthetic organic"	""	""	""	""	"354702261"	"118295624"	""	""	""	""	""	""	""	"6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one"	""	"compound 34 [PMID: 28665128]|PRN-1371"	"C=CC(=O)N1CCN(CC1)CCCn1c2nc(NC)ncc2cc(c1=O)c1c(Cl)c(OC)cc(c1Cl)OC"	"PUIXMSRTTHLNKI-UHFFFAOYSA-N"	"InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)"	""	""	""
"9285"	"PRN694"	""	"Synthetic organic"	""	""	""	""	"318164804"	"90044055"	""	""	""	""	""	""	""	"5-(difluoromethyl)-N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-[[(2R)-1-prop-2-enoylpyrrolidin-2-yl]methyl]benzimidazol-2-yl]thiophene-2-carboxamide"	""	""	"C=CC(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2c1ccc(c2)CN[C@H](C(C)(C)C)C"	"NXTKFBGDLDPFLB-PKOBYXMFSA-N"	"InChI=1S/C28H35F2N5O2S/c1-6-24(36)34-13-7-8-19(34)16-35-21-10-9-18(15-31-17(2)28(3,4)5)14-20(21)32-27(35)33-26(37)23-12-11-22(38-23)25(29)30/h6,9-12,14,17,19,25,31H,1,7-8,13,15-16H2,2-5H3,(H,32,33,37)/t17-,19+/m0/s1"	"yes"	""	""
"9191"	"probe 1.1 [PMID: 24187130]"	""	"Synthetic organic"	""	""	""	""	"315661270"	"46245518"	""	""	""	""	""	""	""	"2-[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine"	""	"KSC-12-192"	"Cc1ccc(cc1C(F)(F)F)CSc1nnc(n1Cc1ccco1)c1ccccn1"	"OQJGZGAYSCWFCK-UHFFFAOYSA-N"	"InChI=1S/C21H17F3N4OS/c1-14-7-8-15(11-17(14)21(22,23)24)13-30-20-27-26-19(18-6-2-3-9-25-18)28(20)12-16-5-4-10-29-16/h2-11H,12-13H2,1H3"	""	""	""
"9192"	"probe 2.1 [PMID: 24187130]"	""	"Synthetic organic"	""	""	""	""	"315661271"	"121231409"	""	""	""	""	""	""	""	"(4aR,8S,8aR)-2-(2-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-1-oxo-1,2,3,4,4a,7,8,8a-octahydroisoquinoline-8-carboxamide"	""	""	"O=C([C@H]1CC=C[C@@H]2[C@H]1C(=O)N(CC2)c1ccccc1F)Nc1ccc(c(c1)C(F)(F)F)C"	"LRJGJDKBKCTWKM-HZUJVAHNSA-N"	"InChI=1S/C24H22F4N2O2/c1-14-9-10-16(13-18(14)24(26,27)28)29-22(31)17-6-4-5-15-11-12-30(23(32)21(15)17)20-8-3-2-7-19(20)25/h2-5,7-10,13,15,17,21H,6,11-12H2,1H3,(H,29,31)/t15-,17-,21+/m0/s1"	""	""	""
"4357"	"probenecid"	""	"Synthetic organic"	"yes"	""	""	""	"178101174"	"4911"	""	""	"CHEMBL897"	""	""	""	""	"4-(Dipropylsulfamoyl)benzoic acid"	"probenecid"	"Probalan&reg;"	"CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC"	"DBABZHXKTCFAPX-UHFFFAOYSA-N"	"InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)"	""	""	""
"7277"	"probucol"	""	"Synthetic organic"	"yes"	"yes"	""	""	"178103851"	"4912"	""	""	"CHEMBL608"	""	""	""	""	"2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenol"	"probucol"	"DH-581|Lorelco&reg;"	"CC(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C"	"FYPMFJGVHOHGLL-UHFFFAOYSA-N"	"InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3"	""	""	""
"4811"	"procainamide"	""	"Synthetic organic"	"yes"	""	""	""	"178101513"	"4913"	""	""	"CHEMBL640"	""	""	""	""	"4-amino-N-[2-(diethylamino)ethyl]benzamide"	"procainamide"	"Procan&reg;|Pronestyl&reg;"	"CCN(CCNC(=O)c1ccc(cc1)N)CC"	"REQCZEXYDRLIBE-UHFFFAOYSA-N"	"InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)"	""	""	""
"4291"	"procaine"	""	"Synthetic organic"	"yes"	""	""	""	"178101108"	"4914"	""	""	"CHEMBL569"	""	""	""	""	"2-(diethylamino)ethyl 4-aminobenzoate"	"procaine"	"Novocain&reg;"	"CCN(CCOC(=O)c1ccc(cc1)N)CC"	"MFDFERRIHVXMIY-UHFFFAOYSA-N"	"InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3"	""	""	""
"7278"	"procarbazine"	""	"Synthetic organic"	"yes"	""	""	""	"178103852"	"4915"	""	""	"CHEMBL1321"	""	""	""	""	"4-[(2-methylhydrazin-1-yl)methyl]-N-(propan-2-yl)benzamide"	"procarbazine"	"Matulane&reg;|Ro-4-6467/1|Ro-4646711"	"CNNCc1ccc(cc1)C(=O)NC(C)C"	"CPTBDICYNRMXFX-UHFFFAOYSA-N"	"InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)"	""	""	""
"3464"	"procaterol"	""	"Synthetic organic"	"yes"	""	""	""	"53801069"	"4916"	""	""	"CHEMBL160519"	""	""	""	""	"8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one"	"procaterol"	""	"CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C"	"FKNXQNWAXFXVNW-UHFFFAOYSA-N"	"InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)"	"yes"	""	""
"7279"	"prochlorperazine"	""	"Synthetic organic"	"yes"	""	""	""	"178103853"	"4917"	""	""	"CHEMBL728"	""	""	""	""	"2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine"	"prochlorperazine"	"Buccastem&reg;|Compazine&reg;|prochlorperazine edisylate|prochlorperazine maleate"	"CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2"	"WIKYUJGCLQQFNW-UHFFFAOYSA-N"	"InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3"	""	""	""
"12426"	"Procyanidin C2"	""	"Natural product"	""	""	""	""	"479821217"	"11182062"	""	""	""	""	""	""	""	"(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol"	""	"Procyanidin trimer C2"	"C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=C(C(=CC(=C34)O)O)[C@H]5[C@@H]([C@H](OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O"	"MOJZMWJRUKIQGL-WNCKYJNFSA-N"	"InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41+,42+,43+/m0/s1"	""	""	""
"7280"	"procyclidine"	""	"Synthetic organic"	"yes"	""	""	""	"178103854"	"4919"	""	""	"CHEMBL86715"	""	""	""	""	"1-cyclohexyl-1-phenyl-3-(pyrrolidin-1-yl)propan-1-ol"	"procyclidine"	"Arpicolin&reg;|Kemadrin&reg;|procyclidine hydrochloride"	"OC(c1ccccc1)(C1CCCCC1)CCN1CCCC1"	"WYDUSKDSKCASEF-UHFFFAOYSA-N"	"InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2"	""	""	""
"2377"	"progesterone"	""	"Metabolite"	"yes"	""	""	""	"135651551"	"5994"	""	""	"CHEMBL103"	""	""	""	""	"(8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one"	"progesterone"	"Prometrium&reg;|Utrogestan&reg;"	"O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C"	"RJKFOVLPORLFTN-LEKSSAKUSA-N"	"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1"	""	""	""
"893"	"proglumide"	""	"Synthetic organic"	""	""	""	""	"135650854"	"4922"	""	""	"CHEMBL316561"	""	""	""	""	"4-(benzoylamino)-5-(dipropylamino)-5-oxopentanoic acid"	"proglumide"	"W-5219"	"CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC"	"DGMKFQYCZXERLX-UHFFFAOYSA-N"	"InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)"	""	""	""
"9606"	"programmed cell death 1 ligand 1"	"Human"	"Peptide"	""	""	""	""	"340590236"	"0"	"Q9NZQ7"	"ENSG00000120217"	""	""	""	""	""	""	""	"B7 homolog 1|B7-H1|PD-L1|PDL1|programmed death ligand 1"	""	""	""	"yes"	""	""
"9676"	"proguanil"	""	"Synthetic organic"	"yes"	""	""	""	"348353635"	"6178111"	""	""	"CHEMBL1377"	""	""	""	""	"(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine"	"proguanil"	"Bigumal&reg;|chloroguanide|Paludrine&reg;"	"CC(N=C(/N=C(/Nc1ccc(cc1)Cl)\N)N)C"	"SSOLNOMRVKKSON-UHFFFAOYSA-N"	"InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)"	""	"yes"	""
"6145"	"proinsulin C-peptide"	"Human"	"Peptide"	""	""	""	""	"178102766"	"16157840"	"P01308"	"ENSG00000254647"	""	""	""	""	""	""	""	""	"CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O"	"VOUAQYXWVJDEQY-QENPJCQMSA-N"	"InChI=1S/C129H211N35O48/c1-58(2)42-77(155-113(195)74(31-39-102(184)185)151-127(209)105(65(15)16)162-114(196)71(25-32-88(131)167)145-95(174)54-141-126(208)104(64(13)14)161-115(197)72(26-33-89(132)168)150-118(200)80(45-61(7)8)156-121(203)83(48-103(186)187)159-112(194)73(30-38-101(182)183)148-107(189)67(18)143-109(191)69(130)24-36-99(178)179)111(193)138-50-93(172)135-49-92(171)136-55-98(177)163-40-20-22-86(163)124(206)140-51-94(173)142-66(17)106(188)137-52-96(175)146-84(56-165)122(204)157-81(46-62(9)10)119(201)152-75(27-34-90(133)169)128(210)164-41-21-23-87(164)125(207)160-78(43-59(3)4)116(198)144-68(19)108(190)154-79(44-60(5)6)117(199)149-70(29-37-100(180)181)110(192)139-53-97(176)147-85(57-166)123(205)158-82(47-63(11)12)120(202)153-76(129(211)212)28-35-91(134)170/h58-87,104-105,165-166H,20-57,130H2,1-19H3,(H2,131,167)(H2,132,168)(H2,133,169)(H2,134,170)(H,135,172)(H,136,171)(H,137,188)(H,138,193)(H,139,192)(H,140,206)(H,141,208)(H,142,173)(H,143,191)(H,144,198)(H,145,174)(H,146,175)(H,147,176)(H,148,189)(H,149,199)(H,150,200)(H,151,209)(H,152,201)(H,153,202)(H,154,190)(H,155,195)(H,156,203)(H,157,204)(H,158,205)(H,159,194)(H,160,207)(H,161,197)(H,162,196)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,211,212)/t66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,104-,105-/m0/s1"	""	""	""
"3715"	"prokineticin-1"	"Mouse"	"Peptide"	""	""	""	""	"135651860"	"0"	"Q14A28"	"ENSMUSG00000070368"	""	""	""	""	""	""	""	"endocrine gland vascular endothelial growth factor|prokineticin 1"	""	""	""	""	""	""
"3716"	"prokineticin-1"	"Rat"	"Peptide"	""	""	""	""	"135651859"	"0"	"Q8R414"	""	""	""	""	""	""	""	""	"endocrine gland vascular endothelial growth factor"	""	""	""	""	""	""
"1866"	"prokineticin-1"	"Human"	"Peptide"	""	""	""	""	"135651858"	"0"	"Q9HC23"	"ENSG00000143125"	""	""	""	""	""	""	""	"EG-VEGF|endocrine gland-derived vascular endothelial growth factor"	""	""	""	""	""	""
"1867"	"prokineticin-2"	"Human"	"Peptide"	""	""	""	""	"135651862"	"0"	"Q9HC23"	"ENSG00000163421"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3717"	"prokineticin-2"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651861"	"0"	"Q9QXU7|Q8R413"	"ENSMUSG00000030069|ENSRNOG00000010898"	""	""	""	""	""	""	""	"prokineticin 2"	""	""	""	""	""	""
"1868"	"prokineticin-2&beta;"	"Human"	"Peptide"	""	""	""	""	"135652412"	"0"	"Q9HC23"	"ENSG00000163421"	""	""	""	""	""	""	""	"PK2&beta;"	""	""	""	""	""	""
"5049"	"prolactin"	"Human"	"Peptide"	""	""	""	""	"178101744"	"0"	"P01236"	"ENSG00000172179"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"12991"	"prolgolimab"	""	"Antibody"	""	""	""	""	"485206112"	"0"	""	""	""	""	""	""	""	""	"prolgolimab"	"BCD-100|BCD100"	""	""	""	"yes"	""	""
"7281"	"promazine"	""	"Synthetic organic"	"yes"	""	""	""	"178103855"	"4926"	""	""	"CHEMBL564"	""	""	""	""	"dimethyl[3-(10H-phenothiazin-10-yl)propyl]amine"	"promazine"	"Sparine&reg;"	"CN(CCCN1c2ccccc2Sc2c1cccc2)C"	"ZGUGWUXLJSTTMA-UHFFFAOYSA-N"	"InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3"	""	""	""
"2877"	"promegestone"	""	"Synthetic organic"	""	""	""	""	"135650855"	"36709"	""	""	"CHEMBL196003"	""	""	""	""	"(8S,13S,14S,17S)-13,17-dimethyl-17-propanoyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one"	"promegestone"	"R5020"	"CCC(=O)[C@@]1(C)CC[C@@H]2[C@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@H]21"	"QFFCYTLOTYIJMR-XMGTWHOFSA-N"	"InChI=1S/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18-,19+,21+,22-/m1/s1"	""	""	""
"7282"	"promethazine"	""	"Synthetic organic"	"yes"	""	""	""	"178103856"	"4927"	""	""	"CHEMBL643"	""	""	""	""	"dimethyl[1-(10H-phenothiazin-10-yl)propan-2-yl]amine"	"promethazine"	"Phenergan&reg;|Sominex&reg;"	"CN(C(CN1c2ccccc2Sc2c1cccc2)C)C"	"PWWVAXIEGOYWEE-UHFFFAOYSA-N"	"InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3"	""	""	""
"12743"	"prontosil"	""	"Synthetic organic"	""	""	""	""	"483123291"	"66895"	""	""	""	""	""	""	""	"4-(2,4-diaminophenyl)diazenylbenzenesulfonamide"	""	"prontosil red|prontosil rubrum|sulfamidochrysoidine"	"C1=CC(=CC=C1N=NC2=C(C=C(C=C2)N)N)S(=O)(=O)N"	"ABBQGOCHXSPKHJ-UHFFFAOYSA-N"	"InChI=1S/C12H13N5O2S/c13-8-1-6-12(11(14)7-8)17-16-9-2-4-10(5-3-9)20(15,18)19/h1-7H,13-14H2,(H2,15,18,19)"	""	""	"yes"
"2561"	"propafenone"	""	"Synthetic organic"	"yes"	""	""	""	"135650856"	"4932"	""	""	"CHEMBL631"	""	""	""	""	"1-[2-(2-hydroxy-3-propylaminopropoxy)phenyl]-3-phenylpropan-1-one"	"propafenone"	"Arythmol&reg;|GNF-Pf-4594|Rythmol&reg;"	"CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O"	"JWHAUXFOSRPERK-UHFFFAOYSA-N"	"InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3"	""	""	""
"1062"	"propanoic acid"	""	"Metabolite"	""	""	""	""	"135651552"	"1032"	""	""	"CHEMBL14021"	""	""	""	""	"Propanoic acid"	""	"propionate"	"CCC(=O)O"	"XBDQKXXYIPTUBI-UHFFFAOYSA-N"	"InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)"	""	""	""
"329"	"propantheline"	""	"Synthetic organic"	"yes"	""	""	""	"135650857"	"4934"	""	""	"CHEMBL1180725"	""	""	""	""	"methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium"	"propantheline bromide"	"Pro-Banthine&reg;"	"O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C"	"VVWYOYDLCMFIEM-UHFFFAOYSA-N"	"InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1"	""	""	""
"7283"	"proparacaine"	""	"Synthetic organic"	"yes"	""	""	""	"178103857"	"4935"	""	""	"CHEMBL1196"	""	""	""	""	"2-(diethylamino)ethyl 3-amino-4-propoxybenzoate"	"proxymetacaine"	"Alcaine&reg;|Paracaine&reg;|proparacaine hydrochloride|proxymetacaine hydrochloride"	"CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC"	"KCLANYCVBBTKTO-UHFFFAOYSA-N"	"InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3"	""	""	""
"5247"	"propargylglycine"	""	"Synthetic organic"	""	""	""	""	"178101931"	"185909"	""	""	"CHEMBL1993296"	""	""	""	""	"2-[(prop-2-yn-1-yl)amino]acetic acid"	""	""	"C#CCNCC(=O)O"	"XSJLQGMTIHCDSS-UHFFFAOYSA-N"	"InChI=1S/C5H7NO2/c1-2-3-6-4-5(7)8/h1,6H,3-4H2,(H,7,8)"	""	""	""
"7284"	"propiomazine"	""	"Synthetic organic"	"yes"	""	""	""	"178103858"	"4940"	""	""	"CHEMBL1201210"	""	""	""	""	"1-{10-[2-(dimethylamino)propyl]-10H-phenothiazin-2-yl}propan-1-one"	"propiomazine"	"CB-1678|Largon&reg;|WY-1359"	"CCC(=O)c1ccc2c(c1)N(CC(N(C)C)C)c1c(S2)cccc1"	"UVOIBTBFPOZKGP-UHFFFAOYSA-N"	"InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3"	""	""	""
"5248"	"propionyl-CoA"	""	"Metabolite"	""	""	""	""	"178101932"	"92753"	""	""	""	""	""	""	""	"{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-[(2-{[2-(propanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid"	""	""	"CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O"	"QAQREVBBADEHPA-IEXPHMLFSA-N"	"InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1"	""	""	""
"5464"	"propofol"	""	"Synthetic organic"	"yes"	""	""	""	"178102114"	"4943"	""	""	"CHEMBL526"	""	""	""	""	"2,6-bis(propan-2-yl)phenol"	"propofol"	"2,6-diisopropylphenol|Diprivan&reg;|ICI 35868"	"CC(c1cccc(c1O)C(C)C)C"	"OLBCVFGFOZPWHH-UHFFFAOYSA-N"	"InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3"	""	""	""
"7596"	"(+)-propranolol"	""	"Synthetic organic"	""	""	""	""	"223365931"	"21138"	""	""	"CHEMBL275742"	""	""	""	""	"(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol"	"propranolol"	"dextropropranolol|R(+)-propranolol"	"O[C@@H](COc1cccc2c1cccc2)CNC(C)C"	"AQHHHDLHHXJYJD-CQSZACIVSA-N"	"InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1"	""	""	""
"564"	"propranolol"	""	"Synthetic organic"	"yes"	""	""	""	"135650858"	"4946"	""	""	"CHEMBL27"	""	""	""	""	"1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol"	"propranolol"	"Bedranol&reg;|Hemangiol&reg;|Inderal&reg;|propranolol hydrochloride"	"OC(COc1cccc2c1cccc2)CNC(C)C"	"AQHHHDLHHXJYJD-UHFFFAOYSA-N"	"InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3"	""	""	""
"63"	"propranolol"	""	"Synthetic organic"	""	""	""	""	"135650859"	"91536"	""	""	"CHEMBL452861"	""	""	""	""	"(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol"	"propranolol"	"(-)-propranolol"	"O[C@H](COc1cccc2c1cccc2)CNC(C)C"	"AQHHHDLHHXJYJD-AWEZNQCLSA-N"	"InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1"	""	""	""
"2819"	"propylpyrazoletriol"	""	"Synthetic organic"	""	""	""	""	"135650845"	"5040063"	""	""	"CHEMBL441282"	""	""	""	""	"4,4',4''-(4-propyl-1H-pyrazole-1,3,5-triyl)triphenol"	""	"PPT"	"CCCc1c(nn(c1c1ccc(cc1)O)c1ccc(cc1)O)c1ccc(cc1)O"	"IOTXSIGGFRQYKW-UHFFFAOYSA-N"	"InChI=1S/C24H22N2O3/c1-2-3-22-23(16-4-10-19(27)11-5-16)25-26(18-8-14-21(29)15-9-18)24(22)17-6-12-20(28)13-7-17/h4-15,27-29H,2-3H2,1H3"	""	""	""
"6650"	"propylthiouracil"	""	"Synthetic organic"	"yes"	""	""	""	"178103263"	"657298"	""	""	"CHEMBL1518"	""	""	""	""	"6-propyl-2-sulfanylidene-1H-pyrimidin-4-one"	"propylthiouracil"	"Thyreostat&reg;"	"CCCc1cc(=O)[nH]c(=S)[nH]1"	"KNAHARQHSZJURB-UHFFFAOYSA-N"	"InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)"	""	""	""
"6067"	"prosaptide"	"Human"	"Peptide"	""	""	""	""	"178102688"	"16137682"	"P07602"	"ENSG00000197746"	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CS)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O"	"KSDDQEGWVBODMD-OULINLAESA-N"	"InChI=1S/C116H196N28O37S/c1-17-61(13)91(112(176)137-80(54-88(157)158)107(171)136-79(53-83(123)148)106(170)135-78(52-82(122)147)105(169)126-70(35-25-29-47-120)101(165)143-93(63(15)145)114(178)131-72(37-41-85(151)152)99(163)125-67(32-22-26-44-117)96(160)128-74(39-43-87(155)156)103(167)141-92(62(14)18-2)113(177)138-81(116(180)181)50-58(7)8)142-109(173)76(49-57(5)6)132-98(162)69(34-24-28-46-119)130-115(179)94(64(16)146)144-111(175)90(60(11)12)139-102(166)73(38-42-86(153)154)127-97(161)68(33-23-27-45-118)129-110(174)89(59(9)10)140-108(172)75(48-56(3)4)133-104(168)77(51-65-30-20-19-21-31-65)134-100(164)71(36-40-84(149)150)124-95(159)66(121)55-182/h19-21,30-31,56-64,66-81,89-94,145-146,182H,17-18,22-29,32-55,117-121H2,1-16H3,(H2,122,147)(H2,123,148)(H,124,159)(H,125,163)(H,126,169)(H,127,161)(H,128,160)(H,129,174)(H,130,179)(H,131,178)(H,132,162)(H,133,168)(H,134,164)(H,135,170)(H,136,171)(H,137,176)(H,138,177)(H,139,166)(H,140,172)(H,141,167)(H,142,173)(H,143,165)(H,144,175)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,180,181)/t61-,62-,63+,64+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,89-,90-,91-,92-,93-,94-/m0/s1"	""	""	""
"6279"	"prostaglandin A2"	""	"Metabolite"	""	""	""	""	"178102899"	"5280880"	""	""	"CHEMBL1084643"	""	""	""	""	"(Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopent-3-enyl]hept-5-enoic acid"	""	"medullin|PGA2"	"CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O"	"MYHXHCUNDDAEOZ-FOSBLDSVSA-N"	"InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1"	""	""	""
"3848"	"[Pro<sup>34</sup>]NPY"	""	"Peptide"	""	""	""	""	"178100688"	"155817461"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC"	"KGMHLNCUUWACQT-CCSRBEGYSA-N"	"InChI=1S/C190H286N54O56S/c1-15-95(7)149(178(291)232-129(84-142(194)254)168(281)225-124(77-94(5)6)170(283)238-150(96(8)16-2)179(292)239-151(101(13)247)180(293)222-117(32-22-69-208-190(202)203)156(269)220-119(58-61-141(193)253)161(274)218-116(31-21-68-207-189(200)201)159(272)234-133(186(299)300)82-106-46-56-112(252)57-47-106)237-171(284)127(81-105-44-54-111(251)55-45-105)228-167(280)128(83-107-88-204-92-210-107)229-158(271)115(30-20-67-206-188(198)199)219-164(277)123(76-93(3)4)224-154(267)98(10)212-172(285)134(90-245)235-166(279)126(80-104-42-52-110(250)53-43-104)227-165(278)125(79-103-40-50-109(249)51-41-103)226-157(270)114(29-19-66-205-187(196)197)216-152(265)97(9)211-155(268)121(64-75-301-14)221-169(282)131(87-148(263)264)231-162(275)120(60-63-146(259)260)217-153(266)99(11)213-175(288)137-34-24-70-240(137)181(294)100(12)214-163(276)130(86-147(261)262)230-160(273)118(59-62-145(257)258)215-144(256)89-209-174(287)136-33-23-72-242(136)184(297)132(85-143(195)255)233-176(289)139-36-26-73-243(139)185(298)140-37-27-74-244(140)183(296)122(28-17-18-65-191)223-173(286)135(91-246)236-177(290)138-35-25-71-241(138)182(295)113(192)78-102-38-48-108(248)49-39-102/h38-57,88,92-101,113-140,149-151,245-252H,15-37,58-87,89-91,191-192H2,1-14H3,(H2,193,253)(H2,194,254)(H2,195,255)(H,204,210)(H,209,287)(H,211,268)(H,212,285)(H,213,288)(H,214,276)(H,215,256)(H,216,265)(H,217,266)(H,218,274)(H,219,277)(H,220,269)(H,221,282)(H,222,293)(H,223,286)(H,224,267)(H,225,281)(H,226,270)(H,227,278)(H,228,280)(H,229,271)(H,230,273)(H,231,275)(H,232,291)(H,233,289)(H,234,272)(H,235,279)(H,236,290)(H,237,284)(H,238,283)(H,239,292)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,299,300)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t95-,96-,97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,149-,150-,151-/m0/s1"	""	""	""
"1546"	"[Pro<sup>34</sup>]PYY (human)"	""	"Peptide"	""	""	""	""	"135652413"	"0"	""	""	""	""	""	""	""	""	""	"human [Pro<sup>34</sup>] peptide tyrosine tyrosine|human [Pro<sup>34</sup>] peptide YY"	""	""	""	""	""	""
"3847"	"[Pro<sup>3</sup>]GIP"	""	"Peptide"	""	""	""	""	"178100687"	"0"	""	""	""	""	""	""	""	""	""	"[Pro<sup>3</sup>]gastric inhibitory polypeptide"	""	""	""	""	""	""
"2126"	"[Pro<sup>7</sup>]neurokinin B"	""	"Peptide"	""	""	""	""	"135652414"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3849"	"[Pro<sup>9</sup>]SP"	""	"Peptide"	""	""	""	""	"178100689"	"0"	""	""	""	""	""	""	""	""	""	"[Pro<sup>9</sup>]substance P"	""	""	""	""	""	""
"13142"	"PROTAC 23 [PMID: 38321747]"	""	"Synthetic organic"	""	""	""	""	"491299924"	"171037439"	""	""	""	""	""	""	""	"1-(tert-Butyl)-N-(4-(2-((1-(1-((1-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)piperidin-4-yl)methyl)piperidin-4-yl)-1H-pyrazol-4-yl)amino)-5-fluoropyrimidin-4-yl)-2-methylbenzyl)-1H-1,2,3-triazole-4-carboxamide"	""	""	"CC1=CC(C2=NC(NC3=CN(N=C3)C4CCN(CC5CCN(CC5)C6=CC=C7C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)=C6)CC4)=NC=C2F)=CC=C1CNC(C9=CN(N=N9)C(C)(C)C)=O"	"YJSLNCQHRATHFV-UHFFFAOYSA-N"	"InChI=1S/C46H52FN13O5/c1-27-19-29(5-6-30(27)21-48-41(62)37-26-59(55-54-37)46(2,3)4)40-36(47)23-49-45(53-40)51-31-22-50-58(25-31)32-13-15-56(16-14-32)24-28-11-17-57(18-12-28)33-7-8-34-35(20-33)44(65)60(43(34)64)38-9-10-39(61)52-42(38)63/h5-8,19-20,22-23,25-26,28,32,38H,9-18,21,24H2,1-4H3,(H,48,62)(H,49,51,53)(H,52,61,63)"	""	""	""
"10636"	"PROTAC 3"	""	"Synthetic organic"	""	""	""	""	"404859083"	"135156947"	""	""	""	""	""	""	""	""	""	"Gefitinib-based PROTAC 3"	"COc1cc2ncnc(c2cc1OCCCCCOCCOCCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NCc1ccc(cc1)c1scnc1C)O)Nc1ccc(c(c1)Cl)F"	"NICKHWYZMNLEPJ-TZSMONEZSA-N"	"InChI=1S/C47H57ClFN7O8S/c1-29-42(65-28-53-29)31-11-9-30(10-12-31)25-50-45(59)38-22-33(57)26-56(38)46(60)43(47(2,3)4)55-41(58)15-18-63-20-19-62-16-7-6-8-17-64-40-23-34-37(24-39(40)61-5)51-27-52-44(34)54-32-13-14-36(49)35(48)21-32/h9-14,21,23-24,27-28,33,38,43,57H,6-8,15-20,22,25-26H2,1-5H3,(H,50,59)(H,55,58)(H,51,52,54)/t33-,38+,43-/m1/s1"	""	""	""
"13175"	"PROTAC T3"	""	"Synthetic organic"	""	""	""	""	"491299957"	"171037442"	""	""	""	""	""	""	""	"2-((2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)-N-(2-(2-(2-(2-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)ethoxy)ethoxy)ethoxy)ethyl)acetamide"	""	""	"CC=1C=CC2=C(C1)SC(=N2)C=3C=CC(=CC3)NCCOCCOCCOCCNC(COC4=C5C(N(C(C5=CC=C4)=O)C6CCC(NC6=O)=O)=O)=O"	"PWVHWGSXBYTNNZ-UHFFFAOYSA-N"	"InChI=1S/C37H39N5O9S/c1-23-5-10-27-30(21-23)52-35(40-27)24-6-8-25(9-7-24)38-13-15-48-17-19-50-20-18-49-16-14-39-32(44)22-51-29-4-2-3-26-33(29)37(47)42(36(26)46)28-11-12-31(43)41-34(28)45/h2-10,21,28,38H,11-20,22H2,1H3,(H,39,44)(H,41,43,45)"	""	""	""
"4476"	"protein C"	"Mouse"	"Peptide"	""	""	""	""	"178101209"	"0"	"P33587"	"ENSMUSG00000024386"	""	"4477|4478"	"protein C light chain|protein C heavy chain"	"4477:no_UniProt_ID|P33587"	"ENSMUSG00000024386|ENSMUSG00000024386"	""	""	""	""	""	""	""	""	""
"4473"	"protein C"	"Human"	"Peptide"	""	""	""	""	"178101206"	"0"	"P04070"	"ENSG00000115718"	""	"4474|4475"	"protein C light chain|protein C heavy chain"	"P04070|P04070"	"ENSG00000115718|ENSG00000115718"	""	""	"activated protein C|anticoagulant protein C|autoprothrombin IIA|vitamin K-dependent protein C"	""	""	""	""	""	""
"4479"	"protein C"	"Rat"	"Peptide"	""	""	""	""	"178101212"	"0"	"P31394"	"ENSRNOG00000014376"	""	"4480|4481"	"protein C light chain|protein C heavy chain"	"P31394|P31394"	"ENSRNOG00000014376|ENSRNOG00000014376"	""	""	""	""	""	""	""	""	""
"4481"	"protein C heavy chain"	"Rat"	"Peptide"	""	""	""	""	"178101214"	"0"	"P31394"	"ENSRNOG00000014376"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4475"	"protein C heavy chain"	"Human"	"Peptide"	""	""	""	""	"178101208"	"0"	"P04070"	"ENSG00000115718"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4478"	"protein C heavy chain"	"Mouse"	"Peptide"	""	""	""	""	"178101211"	"0"	"P33587"	"ENSMUSG00000024386"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4477"	"protein C light chain"	"Mouse"	"Peptide"	""	""	""	""	"178101210"	"0"	""	"ENSMUSG00000024386"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4474"	"protein C light chain"	"Human"	"Peptide"	""	""	""	""	"178101207"	"0"	"P04070"	"ENSG00000115718"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4480"	"protein C light chain"	"Rat"	"Peptide"	""	""	""	""	"178101213"	"0"	"P31394"	"ENSRNOG00000014376"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"5050"	"protein S"	"Human"	"Peptide"	""	""	""	""	"178101745"	"0"	"P07225"	"ENSG00000184500"	""	""	""	""	""	""	""	"protein S&alpha;|vitamin K-dependent protein S"	""	""	""	""	""	""
"14280"	"protionamide"	""	"Synthetic organic"	"yes"	""	""	""	"521588920"	"666418"	""	""	"CHEMBL1378024"	""	""	""	""	"2-propylpyridine-4-carbothioamide"	"protionamide"	"prothionamide"	"CCCC1=NC=CC(=C1)C(=S)N"	"VRDIULHPQTYCLN-UHFFFAOYSA-N"	"InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)"	""	""	"yes"
"7571"	"protoxin II"	""	"Peptide"	""	""	""	""	"223365907"	"0"	"P83476"	""	""	""	""	""	""	""	""	"&beta;/&omega;-theraphotoxin-Tp2a|&beta;/&omega;-TRTX-Tp2a|protoxin-2|ProTx-2|ProTx-II|ProTx2|PT-II"	""	""	""	""	""	""
"7285"	"protriptyline"	""	"Synthetic organic"	"yes"	""	""	""	"178103859"	"4976"	""	""	"CHEMBL668"	""	""	""	""	"3-(11H-dibenzo[1,2-a:1',2'-e][7]annulen-11-yl)-N-methylpropan-1-amine"	"protriptyline"	"MK-240|Vivactil&reg;"	"CNCCCC1c2ccccc2C=Cc2c1cccc2"	"BWPIARFWQZKAIA-UHFFFAOYSA-N"	"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3"	""	""	""
"13783"	"proximod"	""	"Synthetic organic"	""	""	""	""	"507750416"	"71487030"	""	""	"CHEMBL3782066"	""	""	""	""	"2-amino-2-[2-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]ethyl]propane-1,3-diol"	""	"compound 53b [Tian <i>et al</i>., 2013]|IMMH001|LJR001|SYL930"	"CCCC1=NC(=CO1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCC(CO)(CO)N"	"SJXISVAGHMLUDT-UHFFFAOYSA-N"	"InChI=1S/C23H28N2O3/c1-2-3-22-25-21(14-28-22)20-10-8-19(9-11-20)18-6-4-17(5-7-18)12-13-23(24,15-26)16-27/h4-11,14,26-27H,2-3,12-13,15-16,24H2,1H3"	"yes"	""	""
"1255"	"proxyfan"	""	"Synthetic organic"	""	""	""	""	"135650860"	"6421522"	""	""	"CHEMBL19173"	""	""	""	""	"4-[3-(phenylmethoxy)propyl]-3H-imidazole"	""	""	"C(CCc1cnc[nH]1)OCc1ccccc1"	"WNWALBVQAAIULR-UHFFFAOYSA-N"	"InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)"	""	""	""
"6244"	"PrP<sub>106-126</sub>"	"Human"	"Peptide"	""	""	""	""	"178102864"	"71312203"	"P04156"	"ENSG00000171867"	""	""	""	""	""	""	""	""	"CSCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)C(C)C)C(C)C"	"XPZWWTIIKSODDO-MBNDGZRNSA-N"	"InChI=1S/C80H138N26O24S2/c1-38(2)28-53(72(122)90-36-61(113)114)98-60(112)33-86-57(109)32-89-78(128)62(39(3)4)105-79(129)63(40(5)6)104-70(120)44(10)93-59(111)35-87-65(115)41(7)94-68(118)45(11)96-69(119)46(12)95-67(117)43(9)92-58(110)34-88-66(116)42(8)97-73(123)51(22-26-131-14)100-76(126)54(29-48-31-85-37-91-48)102-74(124)50(21-17-19-25-82)99-75(125)52(23-27-132-15)101-77(127)55(30-56(84)108)103-80(130)64(47(13)107)106-71(121)49(83)20-16-18-24-81/h31,37-47,49-55,62-64,107H,16-30,32-36,81-83H2,1-15H3,(H2,84,108)(H,85,91)(H,86,109)(H,87,115)(H,88,116)(H,89,128)(H,90,122)(H,92,110)(H,93,111)(H,94,118)(H,95,117)(H,96,119)(H,97,123)(H,98,112)(H,99,125)(H,100,126)(H,101,127)(H,102,124)(H,103,130)(H,104,120)(H,105,129)(H,106,121)(H,113,114)/t41-,42-,43-,44-,45-,46-,47+,49-,50-,51-,52-,53-,54-,55-,62-,63-,64-/m0/s1"	""	""	""
"1871"	"PrRP-20"	"Human"	"Peptide"	""	""	""	""	"135651863"	"0"	"P81277"	"ENSG00000071677"	""	""	""	""	""	""	""	"human prolactin-releasing peptide-20|PrRP20"	""	""	""	""	""	""
"1872"	"PrRP-20"	"Rat"	"Peptide"	""	""	""	""	"135651864"	"0"	"P81278"	"ENSRNOG00000019871"	""	""	""	""	""	""	""	"rat prolactin-releasing peptide-20"	""	""	""	""	""	""
"1870"	"PrRP-(24-31) (human)"	""	"Peptide"	""	""	""	""	"135652415"	"9832756"	""	""	""	""	""	""	""	""	""	"human prolactin-releasing peptide-24-31"	"CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"	"JPKRCQSTRQEKSF-GFYOBVKKSA-N"	"InChI=1S/C41H68N14O9/c1-5-24(4)33(53-30(56)21-42)37(61)51-27(15-10-18-48-41(45)46)38(62)55-19-11-16-29(55)35(59)54-32(23(2)3)36(60)49-22-31(57)50-26(14-9-17-47-40(43)44)34(58)52-28(39(63)64)20-25-12-7-6-8-13-25/h6-8,12-13,23-24,26-29,32-33H,5,9-11,14-22,42H2,1-4H3,(H,49,60)(H,50,57)(H,51,61)(H,52,58)(H,53,56)(H,54,59)(H,63,64)(H4,43,44,47)(H4,45,46,48)/t24-,26-,27-,28-,29-,32-,33-/m0/s1"	""	""	""
"1874"	"PrRP-31"	"Rat"	"Peptide"	""	""	""	""	"135651866"	"0"	"P81278"	"ENSRNOG00000019871"	""	""	""	""	""	""	""	"rat prolactin-releasing peptide-31"	""	""	""	""	""	""
"1873"	"PrRP-31"	"Human"	"Peptide"	""	""	""	""	"135651865"	"0"	"P81277"	"ENSG00000071677"	""	""	""	""	""	""	""	"human prolactin-releasing peptide-31|PrP31|PrRP31"	""	""	""	""	""	""
"14268"	"PRT3645"	""	"Synthetic organic"	""	""	""	""	"521588908"	"164709790"	""	""	""	""	""	""	""	"2-[5-fluoro-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one"	""	"Example 56 [WO2022061273]|PRT-3645"	"FC1=CN=C(NC2=NC=C(C3CCN(C)CC3)C=C2)N=C1C4=C(C)C5=C(C(C(C)C)=CN(C)C5=O)S4"	"HWPYFSDCAOEVMA-UHFFFAOYSA-N"	"InChI=1S/C27H31FN6OS/c1-15(2)19-14-34(5)26(35)22-16(3)24(36-25(19)22)23-20(28)13-30-27(32-23)31-21-7-6-18(12-29-21)17-8-10-33(4)11-9-17/h6-7,12-15,17H,8-11H2,1-5H3,(H,29,30,31,32)"	""	""	""
"13837"	"PRT3789"	""	"Synthetic organic"	""	""	""	""	"513757522"	"168152471"	""	""	""	""	""	""	""	"(2S,4R)-4-hydroxy-1-[(2R)-2-[3-[(2S)-1-[(3R)-3-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]pyrrolidin-1-yl]propan-2-yl]oxy-1,2-oxazol-5-yl]-3-methylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide"	""	"compound 1 [WO2024076985A2]|PRT-3789"	"CC(C)[C@H](C1=CC(=NO1)O[C@@H](C)CN2CC[C@H](C2)N3CCN4[C@@H](CNC5=C4C=C(C6=C(C=CC=C6)O)N=N5)C3)C(=O)N7C[C@@H](C[C@H]7C(=O)N[C@@H](C)C8=CC=C(C=C8)C9=C(C)N=CS9)O"	"OSRJAZPHBNGCLU-CMMQWICPSA-N"	"InChI=1S/C47H58N10O6S/c1-27(2)43(47(61)57-25-35(58)18-39(57)46(60)50-29(4)31-10-12-32(13-11-31)44-30(5)49-26-64-44)41-20-42(53-63-41)62-28(3)22-54-15-14-33(23-54)55-16-17-56-34(24-55)21-48-45-38(56)19-37(51-52-45)36-8-6-7-9-40(36)59/h6-13,19-20,26-29,33-35,39,43,58-59H,14-18,21-25H2,1-5H3,(H,48,52)(H,50,60)/t28-,29-,33+,34-,35+,39-,43+/m0/s1"	""	""	""
"11861"	"PRU-10"	""	"Synthetic organic"	""	""	""	""	"461663417"	"162679541"	""	""	""	""	""	""	""	"(1S,3aS,3bR,9bS,11aS)-7-ethenyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol"	""	""	"[C@@H]12CC[C@H](O)[C@@]1(C)CC[C@@H]1c3c(CC[C@@H]21)cc(C=C)cc3"	"YVQVEUUGNXBURX-SLHNCBLASA-N"	"InChI=1S/C20H26O/c1-3-13-4-6-15-14(12-13)5-7-17-16(15)10-11-20(2)18(17)8-9-19(20)21/h3-4,6,12,16-19,21H,1,5,7-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1"	""	""	""
"11862"	"PRU-12"	""	"Synthetic organic"	""	""	""	""	"461663418"	"102373294"	""	""	""	""	""	""	""	"1-[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]ethanone"	""	"1-[17beta-Hydroxy-1(10),2,4-estratriene-3-yl]ethanone|PRU12"	"[C@@H]12CC[C@H](O)[C@@]1(C)CC[C@@H]1c3c(CC[C@@H]21)cc(cc3)C(=O)C"	"LURXOLBKAUTYIC-SLHNCBLASA-N"	"InChI=1S/C20H26O2/c1-12(21)13-3-5-15-14(11-13)4-6-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h3,5,11,16-19,22H,4,6-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1"	""	""	""
"243"	"prucalopride"	""	"Synthetic organic"	"yes"	""	""	""	"135650861"	"3052762"	""	""	"CHEMBL117287"	""	""	""	""	"4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide"	"prucalopride"	"Motegrity&reg;|R-093877|R-108512|Resolor&reg;"	"COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N"	"ZPMNHBXQOOVQJL-UHFFFAOYSA-N"	"InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)"	""	""	""
"12860"	"prulifloxacin"	""	"Synthetic organic"	"yes"	""	""	""	"485205981"	"65947"	""	""	"CHEMBL422648"	""	""	""	""	"6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid"	"prulifloxacin"	"NM441"	"CC1N2C3=CC(=C(C=C3C(=O)C(=C2S1)C(=O)O)F)N4CCN(CC4)CC5=C(OC(=O)O5)C"	"PWNMXPDKBYZCOO-UHFFFAOYSA-N"	"InChI=1S/C21H20FN3O6S/c1-10-16(31-21(29)30-10)9-23-3-5-24(6-4-23)15-8-14-12(7-13(15)22)18(26)17(20(27)28)19-25(14)11(2)32-19/h7-8,11H,3-6,9H2,1-2H3,(H,27,28)"	""	""	"yes"
"6919"	"prunetin"	""	"Synthetic organic"	""	""	""	""	"178103501"	"5281804"	""	""	"CHEMBL491174"	""	""	""	""	"5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one"	""	"4',5-dihydroxy-7-methoxyisoflavone"	"COc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1)O"	"KQMVAGISDHMXJJ-UHFFFAOYSA-N"	"InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3"	""	""	""
"14396"	"prusogliptin"	""	"Synthetic organic"	"yes"	""	""	""	"523352188"	"44201003"	""	""	"CHEMBL1082462"	""	""	""	""	"(2S,4S)-4-fluoro-1-[2-[(2-methyl-4-oxo-4-pyrrolidin-1-ylbutan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile"	"prusogliptin"	"DBPR-108|DBPR108|Shan Zeping&reg; (China)"	"CC(C)(CC(=O)N1CCCC1)NCC(=O)N2C[C@H](C[C@H]2C#N)F"	"VQKSCYBKUIDZEI-STQMWFEESA-N"	"InChI=1S/C16H25FN4O2/c1-16(2,8-14(22)20-5-3-4-6-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/m0/s1"	""	""	""
"13740"	"pruvonertinib"	""	"Synthetic organic"	""	""	""	""	"507750373"	"154593283"	""	""	""	""	""	""	""	"N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide"	"pruvonertinib"	"Analogue 6 [PMID: 37406381]|YK-029A"	"CC1=CC=CN2C1=NC=C2C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC"	"OEFWUILIMFIVSE-UHFFFAOYSA-N"	"InChI=1S/C27H32N8O2/c1-7-25(36)30-20-15-21(24(37-6)16-22(20)34(5)14-13-33(3)4)32-27-28-11-10-19(31-27)23-17-29-26-18(2)9-8-12-35(23)26/h7-12,15-17H,1,13-14H2,2-6H3,(H,30,36)(H,28,31,32)"	""	""	""
"11992"	"pruxelutamide"	""	"Synthetic organic"	""	""	""	""	"464244133"	"60194102"	""	""	"CHEMBL4594417"	""	""	""	""	""	"pruxelutamide"	"GT-0918|GT0918|proxalutamide"	"CC1(C(=O)N(C(=S)N1c1cnc(cc1)CCCc1ncco1)c1c(c(c(cc1)C#N)C(F)(F)F)F)C"	"KCBJGVDOSBKVKP-UHFFFAOYSA-N"	"InChI=1S/C24H19F4N5O2S/c1-23(2)21(34)32(17-9-6-14(12-29)19(20(17)25)24(26,27)28)22(36)33(23)16-8-7-15(31-13-16)4-3-5-18-30-10-11-35-18/h6-11,13H,3-5H2,1-2H3"	""	""	""
"14036"	"PRX-2904"	""	"Synthetic organic"	""	""	""	""	"518520663"	"155272065"	""	""	"CHEMBL4741793"	""	""	""	""	"2-methyl-5-(trifluoromethyl)-N-[(1S)-1-[3-[2-(trifluoromethyl)pyridin-4-yl]-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide"	""	"compound 31 [PMID: 33859800]|PRX2904"	"C[C@H](NC(=O)C1=CC(=NN1C)C(F)(F)F)C2=NC(=NO2)C3=CC(=NC=C3)C(F)(F)F"	"SFSLHKNGLMRBTO-ZETCQYMHSA-N"	"InChI=1S/C16H12F6N6O2/c1-7(24-13(29)9-6-11(16(20,21)22)26-28(9)2)14-25-12(27-30-14)8-3-4-23-10(5-8)15(17,18)19/h3-7H,1-2H3,(H,24,29)/t7-/m0/s1"	""	""	""
"660"	"PS020990"	""	"Synthetic organic"	""	""	""	""	"135650862"	"20814785"	""	""	""	""	""	""	""	"N-[(4-chlorophenyl)methyl]-2-[[2-[(3-chlorophenyl)methylamino]-6-imidazol-1-ylpyrimidin-4-yl]amino]-3-cyclohexylpropanamide"	""	""	"Clc1ccc(cc1)CNC(=O)C(Nc1nc(NCc2cccc(c2)Cl)nc(c1)n1ccnc1)CC1CCCCC1"	"HIENPNTVAACRGD-UHFFFAOYSA-N"	"InChI=1S/C30H33Cl2N7O/c31-24-11-9-22(10-12-24)18-34-29(40)26(16-21-5-2-1-3-6-21)36-27-17-28(39-14-13-33-20-39)38-30(37-27)35-19-23-7-4-8-25(32)15-23/h4,7-15,17,20-21,26H,1-3,5-6,16,18-19H2,(H,34,40)(H2,35,36,37,38)"	""	""	""
"3968"	"PSAB-OFP"	""	"Synthetic organic"	""	""	""	""	"178100794"	"16727408"	""	""	"CHEMBL195345"	""	""	""	""	"(2R)-5'-phenyl-3'H-4-azaspiro[bicyclo[2.2.2]octane-2,2'-furo[2,3-b]pyridine]"	""	""	"c1ccc(cc1)c1cnc2c(c1)C[C@]1(O2)CN2CCC1CC2"	"GIRLVGYIIVFTLI-IBGZPJMESA-N"	"InChI=1S/C19H20N2O/c1-2-4-14(5-3-1)16-10-15-11-19(22-18(15)20-12-16)13-21-8-6-17(19)7-9-21/h1-5,10,12,17H,6-9,11,13H2/t19-/m0/s1"	""	""	""
"4292"	"psalmotoxin 1"	""	"Peptide"	""	""	""	""	"178101109"	"134813888"	"P60514"	""	""	""	""	""	""	""	""	"PcTx1"	"NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)[C@H](O)C)CCCCN)[C@H](O)C)CCCCN)C(C)C)CS)C(C)C)CCC(=O)O)Cc1ccccc1)CO)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CC(=O)O)CS)CCCCN)CCCCN)CS)CC(=O)N)CCCN=C(N)N)Cc1nc[nH]c1)CC(=O)O)CS)CS)CCC(=O)O)CC(C)C)CCC(=O)O)CS"	"OWCAPCHWSIBSKD-ACYSAVFESA-N"	"InChI=1S/C200H319N63O56S6/c1-13-102(10)157(258-188(311)139(95-324)252-181(304)133(83-153(281)282)243-161(284)111(206)56-60-148(271)272)195(318)262-74-36-54-142(262)190(313)240-116(46-23-28-66-203)168(291)245-128(78-106-84-222-112-42-19-17-40-109(106)112)177(300)231-114(44-21-26-64-201)162(285)224-89-147(270)230-135(91-320)186(309)256-154(99(4)5)192(315)248-131(81-144(207)267)179(302)236-121(51-33-71-220-199(213)214)169(292)247-130(80-108-86-217-97-227-108)164(287)226-88-146(269)229-132(82-152(279)280)180(303)251-138(94-323)185(308)253-136(92-321)183(306)237-123(57-61-149(273)274)163(286)225-87-145(268)228-126(76-98(2)3)175(298)238-124(58-62-150(275)276)171(294)250-137(93-322)184(307)246-129(79-107-85-223-113-43-20-18-41-110(107)113)178(301)235-115(45-22-27-65-202)165(288)232-119(49-31-69-218-197(209)210)166(289)233-120(50-32-70-219-198(211)212)167(290)234-122(52-34-72-221-200(215)216)170(293)249-134(90-264)182(305)244-127(77-105-38-15-14-16-39-105)176(299)239-125(59-63-151(277)278)174(297)255-155(100(6)7)193(316)254-140(96-325)187(310)257-156(101(8)9)194(317)261-73-35-53-141(261)189(312)242-118(48-25-30-68-205)173(296)260-159(104(12)266)196(319)263-75-37-55-143(263)191(314)241-117(47-24-29-67-204)172(295)259-158(103(11)265)160(208)283/h14-20,38-43,84-86,97-104,111,114-143,154-159,222-223,264-266,320-325H,13,21-37,44-83,87-96,201-206H2,1-12H3,(H2,207,267)(H2,208,283)(H,217,227)(H,224,285)(H,225,286)(H,226,287)(H,228,268)(H,229,269)(H,230,270)(H,231,300)(H,232,288)(H,233,289)(H,234,290)(H,235,301)(H,236,302)(H,237,306)(H,238,298)(H,239,299)(H,240,313)(H,241,314)(H,242,312)(H,243,284)(H,244,305)(H,245,291)(H,246,307)(H,247,292)(H,248,315)(H,249,293)(H,250,294)(H,251,303)(H,252,304)(H,253,308)(H,254,316)(H,255,297)(H,256,309)(H,257,310)(H,258,311)(H,259,295)(H,260,296)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H4,209,210,218)(H4,211,212,219)(H4,213,214,220)(H4,215,216,221)/t102-,103+,104+,111-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,154-,155-,156-,157-,158-,159-/m0/s1"	""	""	""
"14168"	"PSB-0702"	""	"Synthetic organic"	""	""	""	""	"518520795"	"176516531"	""	""	""	""	""	""	""	"1-amino-4-{[3-carboxy-4-(phenylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate"	""	"compound 41 [PMID: 19463000]|PSB0702"	"NC1=C(C=C(C=2C(C3=CC=CC=C3C(C12)=O)=O)NC4=CC(=C(C=C4)NC5=CC=CC=C5)C(=O)O)S(=O)(=O)[O-]"	"ANMDQRXTNSXCJX-UHFFFAOYSA-M"	"InChI=1S/C27H19N3O7S/c28-24-21(38(35,36)37)13-20(22-23(24)26(32)17-9-5-4-8-16(17)25(22)31)30-15-10-11-19(18(12-15)27(33)34)29-14-6-2-1-3-7-14/h1-13,29-30H,28H2,(H,33,34)(H,35,36,37)/p-1"	""	""	""
"5904"	"PSB-0739"	""	"Synthetic organic"	""	""	""	""	"178102527"	"59448166"	""	""	"CHEMBL455536"	""	""	""	""	"sodium 1-amino-9,10-dioxo-4-{[4-(phenylamino)-3-[(sodiooxy)sulfonyl]phenyl]amino}-9,10-dihydroanthracene-2-sulfonate"	""	"PSB 0739"	"[Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na]"	"QBLLYXXXOJUNCV-UHFFFAOYSA-L"	"InChI=1S/C26H19N3O8S2.2Na/c27-24-21(39(35,36)37)13-19(22-23(24)26(31)17-9-5-4-8-16(17)25(22)30)29-15-10-11-18(20(12-15)38(32,33)34)28-14-6-2-1-3-7-14;;/h1-13,28-29H,27H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2"	""	""	""
"6561"	"PSB-0788"	""	"Synthetic organic"	""	""	""	""	"178103175"	"44186581"	""	""	"CHEMBL482436"	""	""	""	""	"8-(4-{4-[(4-chlorophenyl)methyl]piperazine-1-sulfonyl}phenyl)-1-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione"	""	"PSB 0788|PSB0788"	"CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl"	"JQZJACVYMPKVDS-UHFFFAOYSA-N"	"InChI=1S/C25H27ClN6O4S/c1-2-11-32-24(33)21-23(29-25(32)34)28-22(27-21)18-5-9-20(10-6-18)37(35,36)31-14-12-30(13-15-31)16-17-3-7-19(26)8-4-17/h3-10H,2,11-16H2,1H3,(H,27,28)(H,29,34)"	""	""	""
"9023"	"PSB-0963"	""	"Synthetic organic"	""	""	""	""	"315661108"	"91934096"	""	""	"CHEMBL608559"	""	""	""	""	"1-amino-4-(anthracen-2-ylamino)-9,10-dioxoanthracene-2-sulfonate"	""	""	"O=C1c2ccccc2C(=O)c2c1c(N)c(cc2Nc1ccc2c(c1)cc1c(c2)cccc1)S(=O)(=O)[O-]"	"JXFRJOYKTCEJDG-UHFFFAOYSA-M"	"InChI=1S/C28H18N2O5S/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)21-8-4-3-7-20(21)27(24)31)30-19-10-9-17-11-15-5-1-2-6-16(15)12-18(17)13-19/h1-14,30H,29H2,(H,33,34,35)/p-1"	""	""	""
"5619"	"PSB-10"	""	"Synthetic organic"	""	""	""	""	"178102253"	"135401232"	""	""	"CHEMBL1562432"	""	""	""	""	"(8R)-8-ethyl-4-methyl-2-(2,3,5-trichlorophenyl)-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one"	""	""	"CC[C@H]1N=c2n(C1)c(=O)n(c1c2[nH]c(n1)c1cc(Cl)cc(c1Cl)Cl)C"	"YYDHUJWLNPIBDS-MRVPVSSYSA-N"	"InChI=1S/C16H14Cl3N5O/c1-3-8-6-24-15(20-8)12-14(23(2)16(24)25)22-13(21-12)9-4-7(17)5-10(18)11(9)19/h4-5,8H,3,6H2,1-2H3,(H,21,22)/t8-/m1/s1"	""	""	""
"9539"	"PSB-10211"	""	"Synthetic organic"	""	""	""	""	"336446925"	"53308119"	""	""	"CHEMBL1741085"	""	""	""	""	"1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]anilino]-9,10-dioxoanthracene-2-sulfonic acid"	""	"compound 63 [PMID: 21207957]"	"Clc1nc(Nc2cccc(c2)Nc2cc(c(c3c2C(=O)c2ccccc2C3=O)N)S(=O)(=O)O)nc(n1)Cl"	"BLCUJFVIEUPNOP-UHFFFAOYSA-N"	"InChI=1S/C23H14Cl2N6O5S/c24-21-29-22(25)31-23(30-21)28-11-5-3-4-10(8-11)27-14-9-15(37(34,35)36)18(26)17-16(14)19(32)12-6-1-2-7-13(12)20(17)33/h1-9,27H,26H2,(H,34,35,36)(H,28,29,30,31)"	""	""	""
"5620"	"PSB-11"	""	"Synthetic organic"	""	""	""	""	"178102254"	"135433658"	""	""	"CHEMBL1625681"	""	""	""	""	"(8R)-8-ethyl-4-methyl-2-phenyl-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one"	""	""	"CC[C@@H]1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1"	"RGDHRCXUMURWBJ-LLVKDONJSA-N"	"InChI=1S/C16H17N5O/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,18,19)/t11-/m1/s1"	""	""	""
"5902"	"PSB1114"	""	"Synthetic organic"	""	""	""	""	"178102525"	"52952605"	""	""	"CHEMBL1765119"	""	""	""	""	"({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}difluoromethyl)phosphonic acid"	""	"PSB 1114|PSB-1114"	"O[C@@H]1[C@@H](COP(=O)(OP(=O)(C(P(=O)(O)O)(F)F)O)O)O[C@H]([C@@H]1O)n1ccc(=S)[nH]c1=O"	"DFGBPSGNGNHNQM-XVFCMESISA-N"	"InChI=1S/C10H15F2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(15)7(16)8(26-4)14-2-1-5(31)13-9(14)17/h1-2,4,6-8,15-16H,3H2,(H,21,22)(H,23,24)(H,13,17,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1"	""	""	""
"3286"	"PSB1115"	""	"Synthetic organic"	""	""	""	""	"178100327"	"5311479"	""	""	"CHEMBL8565"	""	""	""	""	"4-(2,6-dioxo-1-propyl-1,2,3,6-tetrahydropurin-8-yl)benzene-1-sulfonic acid"	""	"compound 17 [PMID: 11906291]|PSB 1115|PSB-1115"	"CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O"	"UYDRRQPGDSIMNU-UHFFFAOYSA-N"	"InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)"	"yes"	""	""
"12566"	"PSB-12054"	""	"Synthetic organic"	""	""	""	""	"479821356"	"60168729"	""	""	"CHEMBL2180137"	""	""	""	""	"benzyl phenoxazine-10-carboxylate"	""	"PSB12054"	"C1=CC=C(C=C1)COC(=O)N2C3=CC=CC=C3OC4=CC=CC=C42"	"KGVCOYMLGBNCDW-UHFFFAOYSA-N"	"InChI=1S/C20H15NO3/c22-20(23-14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2"	""	""	""
"9542"	"PSB-12062"	""	"Synthetic organic"	""	""	""	""	"336446928"	"2320735"	""	""	"CHEMBL2180160"	""	""	""	""	"10-(4-methylphenyl)sulfonylphenoxazine"	""	"10-tosyl-10H-phenoxazine|compound 21 [PMID: 23075067]"	"Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2c1cccc2"	"DHZNMEIBMACSFH-UHFFFAOYSA-N"	"InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3"	""	""	""
"14221"	"PSB-12105"	""	"Synthetic organic"	""	""	"yes"	""	"521588861"	"145977111"	""	""	"CHEMBL4205635"	""	""	""	""	""	""	"PSB12105"	"CCCN1C(=O)NC2=C(NC(=N2)C3=CC=C(OCC(=O)NCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)N6C(C)=CC(C)=C46)C=C3)C1=O"	"XIMHBHBACDXPTB-UHFFFAOYSA-N"	"InChI=1S/C31H34BF2N7O4/c1-6-13-39-30(43)25-29(38-31(39)44)37-28(36-25)21-7-9-22(10-8-21)45-16-24(42)35-12-11-23-26-17(2)14-19(4)40(26)32(33,34)41-20(5)15-18(3)27(23)41/h7-10,14-15H,6,11-13,16H2,1-5H3,(H,35,42)(H,36,37)(H,38,44)"	""	""	""
"10717"	"PSB-1584"	""	"Synthetic organic"	""	""	""	""	"405067311"	"44349321"	""	""	"CHEMBL124977"	""	""	""	""	"6-(hexylamino)-1H-pyrimidine-2,4-dione"	""	"6-hexylaminouracil|compound 20 [PMID: 30023867]|PSB1584"	"CCCCCCNc1cc(=O)[nH]c(=O)[nH]1"	"SDXQSUJXSHUIBQ-UHFFFAOYSA-N"	"InChI=1S/C10H17N3O2/c1-2-3-4-5-6-11-8-7-9(14)13-10(15)12-8/h7H,2-6H2,1H3,(H3,11,12,13,14,15)"	""	""	""
"11451"	"PSB-16133"	""	"Synthetic organic"	""	""	""	""	"440816820"	"132574707"	""	""	"CHEMBL4116316"	""	""	""	""	"1-amino-4-[4-(3,4-dimethylphenyl)sulfanylanilino]-9,10-dioxoanthracene-2-sulfonic acid"	""	"compound 61 [PMID: 28306255]|PSB16133"	"Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1ccc(cc1)Sc1ccc(c(c1)C)C"	"QXOGPTXQGKQSJT-UHFFFAOYSA-N"	"InChI=1S/C28H22N2O5S2/c1-15-7-10-19(13-16(15)2)36-18-11-8-17(9-12-18)30-22-14-23(37(33,34)35)26(29)25-24(22)27(31)20-5-3-4-6-21(20)28(25)32/h3-14,30H,29H2,1-2H3,(H,33,34,35)"	""	""	""
"11210"	"PSB-16434"	""	"Synthetic organic"	""	""	""	""	"434122270"	"146025748"	""	""	""	""	""	""	""	"6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione"	""	""	"Clc1ccc(cc1)CCNc1cc(=O)[nH]c(=O)[nH]1"	"JSUODDTVALGQAK-UHFFFAOYSA-N"	"InChI=1S/C12H12ClN3O2/c13-9-3-1-8(2-4-9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18)"	""	""	""
"9871"	"PSB-17365"	""	"Synthetic organic"	""	""	""	""	"363894165"	"133081959"	""	""	""	""	""	""	""	"6-{[2-(4-bromophenyl)ethyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione"	""	"compound 48 [Pillaiyar <i>et al.</i>, 2018]|PSB17365"	"Brc1ccc(cc1)CCNc1cc(=O)[nH]c(=O)[nH]1"	"XGNIAOMGYRRHNY-UHFFFAOYSA-N"	"InChI=1S/C12H12BrN3O2/c13-9-3-1-8(2-4-9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18)"	"yes"	""	""
"14601"	"PSB-18422"	""	"Synthetic organic"	""	""	""	""	"530846849"	"145971655"	""	""	"CHEMBL4216761"	""	""	""	""	"6-bromo-3-(2-carboxyethyl)-4-fluoro-1H-indole-2-carboxylic acid"	""	""	"C1=C(C=C(C2=C1NC(=C2CCC(=O)O)C(=O)O)F)Br"	"BRRVCURODGLQPJ-UHFFFAOYSA-N"	"InChI=1S/C12H9BrFNO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)"	""	""	""
"14165"	"PSB-22219"	""	"Synthetic organic"	""	""	""	""	"518520792"	"66575818"	""	""	"CHEMBL3326907"	""	""	""	""	"2-[3-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoyl]-5-methylindol-1-yl]acetic acid"	""	"PSB22219"	"CCCC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C3=CN(C4=C3C=C(C=C4)C)CC(=O)O)C"	"IJVVLGMZFKWYHB-UHFFFAOYSA-N"	"InChI=1S/C26H26N4O4/c1-4-5-24(31)21-13-27-30(17(21)3)19-9-7-18(8-10-19)28-26(34)22-14-29(15-25(32)33)23-11-6-16(2)12-20(22)23/h6-14H,4-5,15H2,1-3H3,(H,28,34)(H,32,33)"	""	""	""
"14604"	"PSB-24040"	""	"Synthetic organic"	""	""	""	""	"530846852"	"178315500"	""	""	"CHEMBL6150589"	""	""	""	""	""	""	"compound 54 [PMID: 39484825]|PSB24040"	"COC=1C=CC(=C(C(=O)O)C1)NC(=O)C=2OC(=CC2)C3=C(C=CC=C3)C4=CC(=CC=C4)C(F)(F)F"	"CDKKKFRECNVLCU-UHFFFAOYSA-N"	"InChI=1S/C26H18F3NO5/c1-34-17-9-10-21(20(14-17)25(32)33)30-24(31)23-12-11-22(35-23)19-8-3-2-7-18(19)15-5-4-6-16(13-15)26(27,28)29/h2-14H,1H3,(H,30,31)(H,32,33)"	""	""	""
"3285"	"PSB36"	""	"Synthetic organic"	""	""	""	""	"178100326"	"11689583"	""	""	"CHEMBL1316674"	""	""	""	""	"1-butyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3-(3-hydroxypropyl)-3,7-dihydro-1H-purine-2,6-dione"	""	"PSB-36"	"OCCCn1c2[nH]c(nc2c(=O)n(c1=O)CCCC)C12CC3CC2CC(C1)C3"	"CIBIXJYFYPFMTN-UHFFFAOYSA-N"	"InChI=1S/C21H30N4O3/c1-2-3-5-25-18(27)16-17(24(20(25)28)6-4-7-26)23-19(22-16)21-11-13-8-14(12-21)10-15(21)9-13/h13-15,26H,2-12H2,1H3,(H,22,23)"	""	""	""
"9468"	"PSB-416"	""	"Synthetic organic"	""	""	""	""	"329968408"	"108643"	""	""	"CHEMBL1207381"	""	""	""	""	"1-amino-4-(4-methoxyanilino)-9,10-dioxoanthracene-2-sulfonic acid"	""	"SB-416"	"COc1ccc(cc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O"	"MURCBJRRFKMCAT-UHFFFAOYSA-N"	"InChI=1S/C21H16N2O6S/c1-29-12-8-6-11(7-9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)"	""	""	""
"3284"	"PSB603"	""	"Synthetic organic"	""	""	""	""	"178100325"	"44185871"	""	""	"CHEMBL483688"	""	""	""	""	"8-{4-[4-(4-chlorophenyl)piperazine-1-sulfonyl]phenyl}-1-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione"	""	"PSB 603|PSB-603"	"CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl"	"OVHCTHHFOHMNFV-UHFFFAOYSA-N"	"InChI=1S/C24H25ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)"	""	""	""
"9033"	"PSB-6426"	""	"Synthetic organic"	""	""	""	""	"315661118"	"24949079"	""	""	"CHEMBL469212"	""	""	""	""	"(2S,3S,4R,5R)-N-[2-[4-(diethoxyphosphorylmethyl)anilino]-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide"	""	"compound 19a [PMID: 18630897]"	"CCOP(=O)(Cc1ccc(cc1)NC(=O)CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=O)[nH]c1=O)OCC"	"AEVBPXDFDKBGLT-YOUFYPILSA-N"	"InChI=1S/C22H29N4O10P/c1-3-34-37(33,35-4-2)12-13-5-7-14(8-6-13)24-16(28)11-23-20(31)19-17(29)18(30)21(36-19)26-10-9-15(27)25-22(26)32/h5-10,17-19,21,29-30H,3-4,11-12H2,1-2H3,(H,23,31)(H,24,28)(H,25,27,32)/t17-,18+,19-,21+/m0/s1"	""	""	""
"14606"	"PSB-CB-27"	""	"Synthetic organic"	""	""	""	""	"530846854"	"145953879"	""	""	"CHEMBL4168457"	""	""	""	""	"(2Z)-2-[[3-[6-(4-chlorophenoxy)hexoxy]phenyl]methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one"	""	"compound 23 [PMID: 29902723]"	"ClC1=CC=C(OCCCCCCOC=2C=C(/C=C/3\N=C4SCCCN4C3=O)C=CC2)C=C1"	"GUVYPTUVBVOIOM-NKFKGCMQSA-N"	"InChI=1S/C25H27ClN2O3S/c26-20-9-11-21(12-10-20)30-14-3-1-2-4-15-31-22-8-5-7-19(17-22)18-23-24(29)28-13-6-16-32-25(28)27-23/h5,7-12,17-18H,1-4,6,13-16H2/b23-18-"	""	""	""
"14605"	"PSB-CB5"	""	"Synthetic organic"	""	""	""	""	"530846853"	"85469571"	""	""	"CHEMBL3221188"	""	""	""	""	"(2Z)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one"	""	"compound 5 [PMID: 29902723]"	"ClC1=CC=C(COC=2C=C(/C=C/3\N=C4SCCCN4C3=O)C=CC2)C=C1"	"XJBQRMOGMULGPP-PDGQHHTCSA-N"	"InChI=1S/C20H17ClN2O2S/c21-16-7-5-14(6-8-16)13-25-17-4-1-3-15(11-17)12-18-19(24)23-9-2-10-26-20(23)22-18/h1,3-8,11-12H,2,9-10,13H2/b18-12-"	""	""	""
"11081"	"PSB-KD107"	""	"Synthetic organic"	""	""	""	""	"434122142"	"44437220"	""	""	"CHEMBL239232"	""	""	""	""	"9-[2-(1H-indol-3-yl)ethyl]-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione"	""	"compound 2Ak [PMID: 17827019]|compound 5 [PMID: 33062188]"	"Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2"	"PUJKERUFRDZALE-UHFFFAOYSA-N"	"InChI=1S/C20H22N6O2/c1-23-17-16(18(27)24(2)20(23)28)26-10-5-9-25(19(26)22-17)11-8-13-12-21-15-7-4-3-6-14(13)15/h3-4,6-7,12,21H,5,8-11H2,1-2H3"	"yes"	""	""
"13425"	"PSB-KK1415"	""	"Synthetic organic"	""	""	""	""	"496703395"	"4874764"	""	""	""	""	""	""	""	"7-[(4-chlorophenyl)methyl]-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione"	""	"compouind 51 [PMID: 38885438]|PSB KK1415|PSBKK1415"	"N1C=C(C2=CC=CC=C12)CCNC3=NC=4N(C(N(C(C4N3CC5=CC=C(C=C5)Cl)=O)C)=O)C"	"FHFDQEPXKZVEOI-UHFFFAOYSA-N"	"InChI=1S/C24H23ClN6O2/c1-29-21-20(22(32)30(2)24(29)33)31(14-15-7-9-17(25)10-8-15)23(28-21)26-12-11-16-13-27-19-6-4-3-5-18(16)19/h3-10,13,27H,11-12,14H2,1-2H3,(H,26,28)"	""	""	""
"13424"	"PSB-KK1445"	""	"Synthetic organic"	""	""	""	""	"496703394"	"4874768"	""	""	""	""	""	""	""	"7-[(4-fluorophenyl)methyl]-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione"	""	"compound 50 [PMID: 38885438]|PSB KK1445|PSBKK1445"	"N1C=C(C2=CC=CC=C12)CCNC3=NC=4N(C(N(C(C4N3CC5=CC=C(C=C5)F)=O)C)=O)C"	"JMZXYZSTEKMPDV-UHFFFAOYSA-N"	"InChI=1S/C24H23FN6O2/c1-29-21-20(22(32)30(2)24(29)33)31(14-15-7-9-17(25)10-8-15)23(28-21)26-12-11-16-13-27-19-6-4-3-5-18(16)19/h3-10,13,27H,11-12,14H2,1-2H3,(H,26,28)"	""	""	""
"2354"	"pseudechetoxin"	""	"Peptide"	""	""	""	""	"135652416"	"0"	"Q8AVA4"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"11563"	"pseudochelerythrine"	""	"Natural product"	""	""	""	""	"441604935"	"5154"	""	""	"CHEMBL417799"	""	""	""	""	""	""	"compound 1 [PMID: 28621943]|sanguinarin|Sanguinarine"	"C[n+]1cc2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2"	"INVGWHRKADIJHF-UHFFFAOYSA-N"	"InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1"	""	""	""
"7286"	"pseudoephedrine"	""	"Synthetic organic"	"yes"	""	""	""	"178103860"	"7028"	""	""	"CHEMBL1590"	""	""	""	""	"(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol"	"pseudoephedrine"	"pseudoephedrine hydrochloride|pseudophedrine sulphate|Sinutab&reg;|Sudafed&reg;"	"CN[C@H]([C@H](c1ccccc1)O)C"	"KWGRBVOPPLSCSI-WCBMZHEXSA-N"	"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1"	""	""	""
"11291"	"psilocin"	""	"Natural product"	""	""	""	""	"434321726"	"4980"	""	""	"CHEMBL65547"	""	""	""	""	"3-[2-(dimethylamino)ethyl]-1H-indol-4-ol"	""	""	"CN(CCc1c[nH]c2c1c(O)ccc2)C"	"SPCIYGNTAMCTRO-UHFFFAOYSA-N"	"InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3"	""	""	""
"14389"	"psilocybin"	""	"Natural product"	""	""	""	""	"523352181"	"10624"	""	""	"CHEMBL194378"	""	""	""	""	"[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate"	"psilocybine"	"Psilocibin"	"CN(C)CCC1=CNC2=C1C(=CC=C2)OP(=O)(O)O"	"QVDSEJDULKLHCG-UHFFFAOYSA-N"	"InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)"	""	""	""
"6267"	"PSM&alpha;3"	""	"Peptide"	""	""	""	""	"178102887"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3318"	"PSN375963"	""	"Synthetic organic"	""	""	""	""	"178100352"	"2875918"	""	""	""	""	""	""	""	"4-[5-(4-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]pyridine"	""	"PSN 375963|PSN-375,963|PSN-375963"	"CCCCC1CCC(CC1)c1onc(n1)c1ccncc1"	"OAVLEYPTWABFLF-UHFFFAOYSA-N"	"InChI=1S/C17H23N3O/c1-2-3-4-13-5-7-15(8-6-13)17-19-16(20-21-17)14-9-11-18-12-10-14/h9-13,15H,2-8H2,1H3"	""	""	""
"3319"	"PSN632408"	""	"Synthetic organic"	""	""	""	""	"178100353"	"11462546"	""	""	"CHEMBL1081913"	""	""	""	""	"tert-butyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate"	""	"PSN 632408|PSN-632,408|PSN-632408"	"O=C(N1CCC(CC1)OCc1onc(n1)c1ccncc1)OC(C)(C)C"	"LHZWKWCEAXQUMX-UHFFFAOYSA-N"	"InChI=1S/C18H24N4O4/c1-18(2,3)25-17(23)22-10-6-14(7-11-22)24-12-15-20-16(21-26-15)13-4-8-19-9-5-13/h4-5,8-9,14H,6-7,10-12H2,1-3H3"	""	""	""
"9583"	"psora-4"	""	"Synthetic organic"	""	""	""	""	"340590214"	"6603977"	""	""	"CHEMBL1256851"	""	""	""	""	"4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one"	""	"5-(4-phenylbutoxy)psoralen|psora 4"	"O=c1ccc2c(o1)cc1c(c2OCCCCc2ccccc2)cco1"	"JJAWGNIQEOFURP-UHFFFAOYSA-N"	"InChI=1S/C21H18O4/c22-20-10-9-16-19(25-20)14-18-17(11-13-23-18)21(16)24-12-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-11,13-14H,4-5,8,12H2"	"yes"	""	""
"3227"	"p-[<sup>18</sup>F]MPPF"	""	"Synthetic organic"	""	""	"yes"	"yes"	"178100284"	"5352127"	""	""	""	""	""	""	""	"4-(<sup>18</sup>F)fluoro-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-(pyrimidin-2-yl)benzamide"	""	"[(18)F]p-MPPF|P-[18F]MPPF"	"COc1ccccc1N1CCN(CC1)CCN(C(=O)c1ccc(cc1)[18F])c1ncccn1"	"ADELHWYAKAZUCR-FNNGWQQSSA-N"	"InChI=1S/C24H26FN5O2/c1-32-22-6-3-2-5-21(22)29-16-13-28(14-17-29)15-18-30(24-26-11-4-12-27-24)23(31)19-7-9-20(25)10-8-19/h2-12H,13-18H2,1H3/i25-1"	""	""	""
"5548"	"psychosine"	""	"Metabolite"	""	""	""	""	"178102190"	"5280458"	""	""	""	""	""	""	""	"(2R,3R,4S,5R,6R)-2-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol"	""	"1-&beta;-D-galactosphingosine|1-&beta;-D-galactosylsphingosine|galactosylsphingosine"	"CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)N)O"	"HHJTWTPUPVQKNA-PIIMIWFASA-N"	"InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1"	""	""	""
"12707"	"PT2385"	""	"Synthetic organic"	""	""	""	""	"483123255"	"91754484"	""	""	"CHEMBL4173075"	""	""	""	""	"3-[[(1S)-2,2-difluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile"	""	"MK-3795|MK3795|PT-2385"	"FC1=CC(OC2=C3C([C@H](O)C(F)(F)C3)=C(S(=O)(C)=O)C=C2)=CC(C#N)=C1"	"ONBSHRSJOPSEGS-INIZCTEOSA-N"	"InChI=1S/C17H12F3NO4S/c1-26(23,24)14-3-2-13(12-7-17(19,20)16(22)15(12)14)25-11-5-9(8-21)4-10(18)6-11/h2-6,16,22H,7H2,1H3/t16-/m0/s1"	""	""	""
"13993"	"PT-91"	""	"Synthetic organic"	""	""	""	""	"518520620"	"169494250"	""	""	"CHEMBL5438150"	""	""	""	""	"2-methoxy-N-[4-(phenylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide"	""	"compound 7p [PMID: 38060818]|PT91"	"COC1=C(C=CC(=C1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3"	"MLOMHLBCHRLHLM-UHFFFAOYSA-N"	"InChI=1S/C21H17F3N2O4S/c1-30-19-13-14(21(22,23)24)7-12-18(19)20(27)25-15-8-10-17(11-9-15)31(28,29)26-16-5-3-2-4-6-16/h2-13,26H,1H3,(H,25,27)"	""	""	""
"1403"	"PTBE"	""	"Synthetic organic"	""	""	""	""	"135650863"	"10047169"	""	""	"CHEMBL182371"	""	""	""	""	"1-[2-hydroxy-3-propyl-4-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]phenyl]ethanone"	""	""	"CCCc1c(OCCCCOc2ccc(cc2)c2n[nH]nn2)ccc(c1O)C(=O)C"	"FEEONEKLFGDWHR-UHFFFAOYSA-N"	"InChI=1S/C22H26N4O4/c1-3-6-19-20(12-11-18(15(2)27)21(19)28)30-14-5-4-13-29-17-9-7-16(8-10-17)22-23-25-26-24-22/h7-12,28H,3-6,13-14H2,1-2H3,(H,23,24,25,26)"	""	""	""
"12687"	"PTD10"	""	"Synthetic organic"	""	""	""	""	"483123235"	"156735923"	""	""	""	""	""	""	""	""	""	""	"O=C1N(C)C=C(C2=CC=NC(N3CCN4C(C3=O)=CC5=C4CC(C)(C)C5)=C2CO)C=C1NC=6C=CC(=CN6)N7CCN(C(CNC8=CC=CC9=C8C(N(C%10CCC(NC%10=O)=O)C9=O)=O)=O)C[C@@H]7C"	"DGDYTCIJBXSVPQ-XLYAUNJQSA-N"	"InChI=1S/C49H51N11O8/c1-27-24-56(41(63)23-51-34-7-5-6-32-42(34)48(68)60(45(32)65)36-9-11-40(62)54-44(36)64)14-15-57(27)30-8-10-39(52-22-30)53-35-18-29(25-55(4)46(35)66)31-12-13-50-43(33(31)26-61)59-17-16-58-37(47(59)67)19-28-20-49(2,3)21-38(28)58/h5-8,10,12-13,18-19,22,25,27,36,51,61H,9,11,14-17,20-21,23-24,26H2,1-4H3,(H,52,53)(H,54,62,64)/t27-,36?/m0/s1"	""	""	""
"1430"	"PTeB"	""	"Synthetic organic"	""	""	""	""	"135650864"	"1019881"	""	""	""	""	""	""	""	"(2R)-N-[4-(benzoyl)phenyl]-2-(4-methylphenoxy)propanamide"	""	""	"O=C([C@H](Oc1ccc(cc1)C)C)Nc1ccc(cc1)C(=O)c1ccccc1"	"XTAVVOHMWNRQKS-QGZVFWFLSA-N"	"InChI=1S/C23H21NO3/c1-16-8-14-21(15-9-16)27-17(2)23(26)24-20-12-10-19(11-13-20)22(25)18-6-4-3-5-7-18/h3-15,17H,1-2H3,(H,24,26)/t17-/m1/s1"	""	""	""
"2681"	"pterostilbene"	""	"Natural product"	""	""	""	""	"135650865"	"5281727"	""	""	"CHEMBL83527"	""	""	""	""	"4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol"	""	""	"COc1cc(/C=C/c2ccc(cc2)O)cc(c1)OC"	"VLEUZFDZJKSGMX-ONEGZZNKSA-N"	"InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+"	""	""	""
"1786"	"PTH"	"Rat"	"Peptide"	""	""	""	""	"135651869"	"0"	"P04089"	"ENSRNOG00000014318"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1785"	"PTH"	"Human"	"Peptide"	"yes"	""	""	""	"135651867"	"0"	"P01270"	"ENSG00000152266"	""	""	""	""	""	""	"parathyroid hormone"	"Natpar&reg;|Natpara&reg;|rhPTH[1-84]"	""	""	""	""	""	""
"3632"	"PTH"	"Mouse"	"Peptide"	""	""	""	""	"135651868"	"0"	"Q9Z0L6"	"ENSMUSG00000059077"	""	""	""	""	""	""	""	"mouse parathyroid hormone"	""	""	""	""	""	""
"4449"	"PTH-(1-34) (rat)"	""	"Peptide"	""	""	""	""	"135652418"	"155817471"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C"	"QSJWQIQDNBBZSH-NEAXTQLLSA-N"	"InChI=1S/C180H291N55O48S2/c1-23-96(18)145(235-160(264)115(50-55-140(246)247)212-172(276)131(83-236)231-176(280)142(93(12)13)232-146(250)97(19)184)177(281)216-113(48-53-135(187)240)157(261)219-121(68-91(8)9)164(268)214-117(57-64-285-22)159(263)224-125(73-102-80-195-86-202-102)167(271)225-127(75-136(188)241)169(273)217-118(65-88(2)3)148(252)200-82-138(243)205-106(41-29-32-58-181)149(253)223-124(72-101-79-194-85-201-101)166(270)220-119(66-89(4)5)161(265)204-98(20)147(251)230-132(84-237)173(277)234-143(94(14)15)174(278)215-114(49-54-139(244)245)154(258)208-109(44-35-61-197-179(190)191)152(256)213-116(56-63-284-21)158(262)210-111(46-51-133(185)238)155(259)222-123(71-100-78-199-105-40-28-27-39-104(100)105)165(269)221-122(69-92(10)11)162(266)209-110(45-36-62-198-180(192)193)151(255)206-107(42-30-33-59-182)150(254)207-108(43-31-34-60-183)153(257)218-120(67-90(6)7)163(267)211-112(47-52-134(186)239)156(260)227-129(77-141(248)249)171(275)233-144(95(16)17)175(279)228-126(74-103-81-196-87-203-103)168(272)226-128(76-137(189)242)170(274)229-130(178(282)283)70-99-37-25-24-26-38-99/h24-28,37-40,78-81,85-98,106-132,142-145,199,236-237H,23,29-36,41-77,82-84,181-184H2,1-22H3,(H2,185,238)(H2,186,239)(H2,187,240)(H2,188,241)(H2,189,242)(H,194,201)(H,195,202)(H,196,203)(H,200,252)(H,204,265)(H,205,243)(H,206,255)(H,207,254)(H,208,258)(H,209,266)(H,210,262)(H,211,267)(H,212,276)(H,213,256)(H,214,268)(H,215,278)(H,216,281)(H,217,273)(H,218,257)(H,219,261)(H,220,270)(H,221,269)(H,222,259)(H,223,253)(H,224,263)(H,225,271)(H,226,272)(H,227,260)(H,228,279)(H,229,274)(H,230,251)(H,231,280)(H,232,250)(H,233,275)(H,234,277)(H,235,264)(H,244,245)(H,246,247)(H,248,249)(H,282,283)(H4,190,191,197)(H4,192,193,198)/t96-,97-,98-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-,145-/m0/s1"	""	""	""
"3738"	"PTHrP"	"Human"	"Peptide"	""	""	""	""	"135651870"	"0"	"P12272"	"ENSG00000087494"	""	""	""	""	""	""	""	"parathyroid hormone-like hormone|parathyroid hormone-related peptide"	""	""	""	""	""	""
"3719"	"PTHrP-(107-139)"	"Rat"	"Peptide"	""	""	""	""	"178100596"	"155817450"	"P13085"	"ENSRNOG00000069267"	""	""	""	""	""	""	""	"osteostatin (rat)|parathyroid hormone-related peptide 107-139|PTHrP (107-139)"	"CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O"	"XGMQCPAHDHXSHS-BPXTXZCYSA-N"	"InChI=1S/C145H229N43O54/c1-64(2)45-83(161-102(203)53-156-115(213)89(56-189)162-103(204)54-158-133(231)109(69(9)197)183-137(235)110(70(10)198)179-104(205)55-157-127(225)96-27-18-40-184(96)140(238)87(48-74-51-155-77-24-15-14-23-76(74)77)171-114(212)67(7)160-122(220)90(57-190)173-116(214)78(25-16-38-153-144(148)149)164-132(230)108(147)68(8)196)118(216)168-84(46-65(3)4)119(217)163-79(33-36-105(206)207)117(215)172-88(50-107(210)211)141(239)187-43-21-28-97(187)128(226)166-80(32-35-101(146)202)138(236)185-41-19-29-98(185)129(227)170-86(49-75-52-152-63-159-75)121(219)180-112(72(12)200)136(234)178-95(62-195)142(240)188-44-22-31-100(188)131(229)182-113(73(13)201)135(233)177-94(61-194)126(224)181-111(71(11)199)134(232)176-93(60-193)124(222)169-85(47-66(5)6)120(218)165-81(34-37-106(208)209)139(237)186-42-20-30-99(186)130(228)175-92(59-192)125(223)174-91(58-191)123(221)167-82(143(241)242)26-17-39-154-145(150)151/h14-15,23-24,51-52,63-73,78-100,108-113,155,189-201H,16-22,25-50,53-62,147H2,1-13H3,(H2,146,202)(H,152,159)(H,156,213)(H,157,225)(H,158,231)(H,160,220)(H,161,203)(H,162,204)(H,163,217)(H,164,230)(H,165,218)(H,166,226)(H,167,221)(H,168,216)(H,169,222)(H,170,227)(H,171,212)(H,172,215)(H,173,214)(H,174,223)(H,175,228)(H,176,232)(H,177,233)(H,178,234)(H,179,205)(H,180,219)(H,181,224)(H,182,229)(H,183,235)(H,206,207)(H,208,209)(H,210,211)(H,241,242)(H4,148,149,153)(H4,150,151,154)/t67-,68+,69+,70+,71+,72+,73+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,108-,109-,110-,111-,112-,113-/m0/s1"	""	""	""
"3670"	"PTHrP-(107-139)"	"Human"	"Peptide"	""	""	""	""	"178100563"	"16131181"	"P12272"	"ENSG00000087494"	""	""	""	""	""	""	""	"osteostatin|parathyroid hormone-related peptide 107-139"	"CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O"	"JDXPQNLGWWSTQH-MPTHIHOZSA-N"	"InChI=1S/C142H228N42O58/c1-58(2)33-78(158-96(197)47-153-114(215)89(50-185)160-98(199)48-155-135(236)108(66(15)193)183-136(237)107(63(11)12)180-99(200)49-154-115(216)90(51-186)174-126(227)86(41-103(207)208)171-121(222)81(36-61(7)8)167-123(224)83(38-70-44-151-73-24-20-19-23-72(70)73)165-112(213)64(13)157-129(230)91(52-187)175-116(217)74(25-21-31-149-141(144)145)163-134(235)106(143)65(14)192)118(219)161-75(27-29-100(201)202)113(214)152-46-97(198)159-85(40-102(205)206)125(226)170-84(39-71-45-148-57-156-71)124(225)168-82(37-62(9)10)122(223)176-93(54-189)131(232)173-88(43-105(211)212)128(229)181-109(67(16)194)137(238)179-95(56-191)133(234)182-111(69(18)196)139(240)184-110(68(17)195)138(239)178-94(55-190)132(233)169-79(34-59(3)4)119(220)162-76(28-30-101(203)204)117(218)166-80(35-60(5)6)120(221)172-87(42-104(209)210)127(228)177-92(53-188)130(231)164-77(140(241)242)26-22-32-150-142(146)147/h19-20,23-24,44-45,57-69,74-95,106-111,151,185-196H,21-22,25-43,46-56,143H2,1-18H3,(H,148,156)(H,152,214)(H,153,215)(H,154,216)(H,155,236)(H,157,230)(H,158,197)(H,159,198)(H,160,199)(H,161,219)(H,162,220)(H,163,235)(H,164,231)(H,165,213)(H,166,218)(H,167,224)(H,168,225)(H,169,233)(H,170,226)(H,171,222)(H,172,221)(H,173,232)(H,174,227)(H,175,217)(H,176,223)(H,177,228)(H,178,239)(H,179,238)(H,180,200)(H,181,229)(H,182,234)(H,183,237)(H,184,240)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H,241,242)(H4,144,145,149)(H4,146,147,150)/t64-,65+,66+,67+,68+,69+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,106-,107-,108-,109-,110-,111-/m0/s1"	""	""	""
"3718"	"PTHrP-(107-139)"	"Mouse"	"Peptide"	""	""	""	""	"178100595"	"155817449"	"P22858"	"ENSMUSG00000048776"	""	""	""	""	""	""	""	"osteostatin (mouse)|parathyroid hormone-related peptide 107-139|PTHrP (107-139)"	"CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@@H](C)O)[C@@H](C)O"	"KEZYYGMSXINOCO-DIOZNAPMSA-N"	"InChI=1S/C144H233N43O48/c1-65(2)47-86(162-104(198)57-157-115(208)94(58-188)175-114(207)71(12)159-112(205)70(11)161-134(227)109(74(15)195)183-128(221)99(63-193)178-132(225)103-35-26-45-186(103)139(232)92(52-77-55-156-80-28-19-18-27-79(77)80)172-113(206)72(13)160-124(217)95(59-189)176-116(209)81(29-20-40-153-142(146)147)165-133(226)108(145)73(14)194)119(212)168-87(48-66(3)4)120(213)164-83(36-38-105(199)200)117(210)173-93(54-107(203)204)140(233)187-46-25-33-101(187)130(223)174-91(51-69(9)10)138(231)185-44-24-32-100(185)129(222)171-90(53-78-56-152-64-158-78)123(216)182-111(76(17)197)136(229)179-97(61-191)125(218)163-82(30-21-41-154-143(148)149)118(211)181-110(75(16)196)135(228)180-98(62-192)127(220)169-88(49-67(5)6)121(214)166-84(37-39-106(201)202)137(230)184-43-23-34-102(184)131(224)177-96(60-190)126(219)170-89(50-68(7)8)122(215)167-85(141(234)235)31-22-42-155-144(150)151/h18-19,27-28,55-56,64-76,81-103,108-111,156,188-197H,20-26,29-54,57-63,145H2,1-17H3,(H,152,158)(H,157,208)(H,159,205)(H,160,217)(H,161,227)(H,162,198)(H,163,218)(H,164,213)(H,165,226)(H,166,214)(H,167,215)(H,168,212)(H,169,220)(H,170,219)(H,171,222)(H,172,206)(H,173,210)(H,174,223)(H,175,207)(H,176,209)(H,177,224)(H,178,225)(H,179,229)(H,180,228)(H,181,211)(H,182,216)(H,183,221)(H,199,200)(H,201,202)(H,203,204)(H,234,235)(H4,146,147,153)(H4,148,149,154)(H4,150,151,155)/t70-,71-,72-,73+,74+,75+,76+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,108-,109-,110-,111-/m0/s1"	""	""	""
"1787"	"PTHrP-(1-20)/TIP-(23-39) (human)"	""	"Peptide"	""	""	""	""	"135652419"	"155817426"	""	""	""	""	""	""	""	""	""	""	"CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C"	"VYFPXMRAKJBKGE-LJGPHQHBSA-N"	"InChI=1S/C196H315N61O53S/c1-24-104(20)157(256-188(304)145(90-260)251-160(276)117(40-28-31-58-198)224-150(265)87-218-159(275)116(39-27-30-57-197)225-183(299)141(80-153(270)271)249-181(297)138(77-112-86-213-94-222-112)245-173(289)129(68-98(8)9)236-171(287)128(67-97(6)7)235-165(281)122(50-53-147(201)262)230-179(295)136(75-110-84-211-92-220-110)243-167(283)124(52-55-151(266)267)231-186(302)144(89-259)253-190(306)155(102(16)17)254-158(274)105(21)200)191(307)233-123(51-54-148(202)263)166(282)247-142(81-154(272)273)184(300)238-126(65-95(2)3)170(286)229-120(43-34-61-215-195(206)207)162(278)226-119(42-33-60-214-194(204)205)161(277)227-121(44-35-62-216-196(208)209)164(280)242-137(76-111-85-212-93-221-111)180(296)241-134(73-108-82-217-115-38-26-25-37-114(108)115)177(293)237-130(69-99(10)11)174(290)246-139(78-149(203)264)182(298)252-143(88-258)187(303)240-133(72-107-46-48-113(261)49-47-107)176(292)232-125(56-64-311-23)168(284)244-135(74-109-83-210-91-219-109)178(294)228-118(41-29-32-59-199)163(279)234-127(66-96(4)5)172(288)239-132(71-101(14)15)185(301)255-156(103(18)19)189(305)250-131(70-100(12)13)175(291)248-140(79-152(268)269)169(285)223-106(22)192(308)257-63-36-45-146(257)193(309)310/h25-26,37-38,46-49,82-86,91-106,116-146,155-157,217,258-261H,24,27-36,39-45,50-81,87-90,197-200H2,1-23H3,(H2,201,262)(H2,202,263)(H2,203,264)(H,210,219)(H,211,220)(H,212,221)(H,213,222)(H,218,275)(H,223,285)(H,224,265)(H,225,299)(H,226,278)(H,227,277)(H,228,294)(H,229,286)(H,230,295)(H,231,302)(H,232,292)(H,233,307)(H,234,279)(H,235,281)(H,236,287)(H,237,293)(H,238,300)(H,239,288)(H,240,303)(H,241,296)(H,242,280)(H,243,283)(H,244,284)(H,245,289)(H,246,290)(H,247,282)(H,248,291)(H,249,297)(H,250,305)(H,251,276)(H,252,298)(H,253,306)(H,254,274)(H,255,301)(H,256,304)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,309,310)(H4,204,205,214)(H4,206,207,215)(H4,208,209,216)/t104-,105-,106-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,155-,156-,157-/m0/s1"	""	""	""
"1788"	"PTHrP-(1-21)/PTH-(22-34) (human)"	""	"Peptide"	""	""	""	""	"135652421"	"155817427"	""	""	""	""	""	""	""	""	""	"hybrid of human PTHrP and human PTH"	"CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C"	"XAFMSRGNPGABMT-AXOOKYBDSA-N"	"InChI=1S/C184H299N61O51/c1-18-97(16)147(245-176(291)134(86-247)241-150(265)107(41-25-29-59-186)214-139(252)84-210-149(264)106(40-24-28-58-185)215-172(287)129(77-142(257)258)238-169(284)126(74-102-82-203-88-212-102)234-166(281)123(70-94(10)11)229-165(280)122(69-93(8)9)228-157(272)114(48-53-135(190)248)224-168(283)125(73-101-81-202-87-211-101)233-161(276)118(52-57-141(255)256)225-175(290)133(85-246)242-178(293)145(95(12)13)243-148(263)98(17)189)179(294)226-116(50-55-137(192)250)159(274)236-130(78-143(259)260)173(288)231-121(68-92(6)7)163(278)221-113(47-35-65-208-184(200)201)154(269)218-110(44-32-62-205-181(194)195)152(267)219-111(45-33-63-206-182(196)197)155(270)222-117(51-56-140(253)254)160(275)232-124(72-100-80-209-105-39-23-22-38-104(100)105)167(282)230-120(67-91(4)5)162(277)220-112(46-34-64-207-183(198)199)153(268)216-108(42-26-30-60-187)151(266)217-109(43-27-31-61-188)156(271)227-119(66-90(2)3)164(279)223-115(49-54-136(191)249)158(273)237-131(79-144(261)262)174(289)244-146(96(14)15)177(292)239-127(75-103-83-204-89-213-103)170(285)235-128(76-138(193)251)171(286)240-132(180(295)296)71-99-36-20-19-21-37-99/h19-23,36-39,80-83,87-98,106-134,145-147,209,246-247H,18,24-35,40-79,84-86,185-189H2,1-17H3,(H2,190,248)(H2,191,249)(H2,192,250)(H2,193,251)(H,202,211)(H,203,212)(H,204,213)(H,210,264)(H,214,252)(H,215,287)(H,216,268)(H,217,266)(H,218,269)(H,219,267)(H,220,277)(H,221,278)(H,222,270)(H,223,279)(H,224,283)(H,225,290)(H,226,294)(H,227,271)(H,228,272)(H,229,280)(H,230,282)(H,231,288)(H,232,275)(H,233,276)(H,234,281)(H,235,285)(H,236,274)(H,237,273)(H,238,284)(H,239,292)(H,240,286)(H,241,265)(H,242,293)(H,243,263)(H,244,289)(H,245,291)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,295,296)(H4,194,195,205)(H4,196,197,206)(H4,198,199,207)(H4,200,201,208)/t97-,98-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,145-,146-,147-/m0/s1"	""	""	""
"1822"	"PTHrP-(1-34) (human)"	"Human"	"Peptide"	""	""	""	""	"135652422"	"155817432"	""	""	""	""	""	""	""	""	""	"parathyroid hormone-related peptide"	"CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)CC"	"ZOWOHMFPXMYFKJ-WBTWNKCNSA-N"	"InChI=1S/C180H287N57O48/c1-23-94(16)141(173(280)206-98(20)146(253)209-116(51-55-137(246)247)155(262)234-143(96(18)25-3)175(282)230-128(72-107-79-196-87-205-107)169(276)237-144(100(22)240)176(283)207-99(21)177(284)285)235-168(275)121(65-92(12)13)221-163(270)125(69-104-76-193-84-202-104)227-164(271)126(70-105-77-194-85-203-105)225-159(266)120(64-91(10)11)219-160(267)123(67-102-41-30-27-31-42-102)223-161(268)122(66-101-39-28-26-29-40-101)222-151(258)112(47-38-60-199-180(190)191)212-149(256)110(45-36-58-197-178(186)187)211-150(257)111(46-37-59-198-179(188)189)213-156(263)117(61-88(4)5)220-167(274)130(74-139(250)251)228-153(260)114(49-53-134(185)242)216-174(281)142(95(17)24-2)236-171(278)132(82-239)231-148(255)109(44-33-35-57-182)208-135(243)80-200-147(254)108(43-32-34-56-181)210-166(273)129(73-138(248)249)229-165(272)127(71-106-78-195-86-204-106)226-158(265)119(63-90(8)9)218-157(264)118(62-89(6)7)217-152(259)113(48-52-133(184)241)214-162(269)124(68-103-75-192-83-201-103)224-154(261)115(50-54-136(244)245)215-170(277)131(81-238)232-172(279)140(93(14)15)233-145(252)97(19)183/h26-31,39-42,75-79,83-100,108-132,140-144,238-240H,23-25,32-38,43-74,80-82,181-183H2,1-22H3,(H2,184,241)(H2,185,242)(H,192,201)(H,193,202)(H,194,203)(H,195,204)(H,196,205)(H,200,254)(H,206,280)(H,207,283)(H,208,243)(H,209,253)(H,210,273)(H,211,257)(H,212,256)(H,213,263)(H,214,269)(H,215,277)(H,216,281)(H,217,259)(H,218,264)(H,219,267)(H,220,274)(H,221,270)(H,222,258)(H,223,268)(H,224,261)(H,225,266)(H,226,265)(H,227,271)(H,228,260)(H,229,272)(H,230,282)(H,231,255)(H,232,279)(H,233,252)(H,234,262)(H,235,275)(H,236,278)(H,237,276)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,284,285)(H4,186,187,197)(H4,188,189,198)(H4,190,191,199)/t94-,95-,96-,97-,98-,99-,100+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,140-,141-,142-,143-,144-/m0/s1"	""	""	""
"1790"	"PTHrP-(1-36)"	"Human"	"Peptide"	""	""	""	""	"135651871"	"155817428"	"P12272"	"ENSG00000087494"	""	""	""	""	""	""	""	"human parathyroid hormone related peptide|PTHrP (1-36)|PTHrP-1-36"	"CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)O"	"NNRMZXDHMCWWRV-RHBZDGMUSA-N"	"InChI=1S/C191H305N59O52/c1-25-99(17)149(184(297)217-104(22)155(268)220-122(54-59-144(259)260)165(278)246-151(101(19)27-3)186(299)242-135(77-113-84-207-92-216-113)180(293)250-153(106(24)253)187(300)218-105(23)156(269)221-123(55-60-145(261)262)166(279)249-152(188(301)302)102(20)28-4)247-179(292)128(70-97(13)14)233-174(287)132(74-110-81-204-89-213-110)239-175(288)133(75-111-82-205-90-214-111)237-170(283)127(69-96(11)12)231-171(284)130(72-108-44-33-30-34-45-108)235-172(285)129(71-107-42-31-29-32-43-107)234-161(274)118(50-41-65-210-191(201)202)224-159(272)116(48-39-63-208-189(197)198)223-160(273)117(49-40-64-209-190(199)200)225-167(280)124(66-93(5)6)232-178(291)137(79-147(265)266)240-163(276)120(52-57-141(196)255)228-185(298)150(100(18)26-2)248-182(295)139(87-252)243-158(271)115(47-36-38-62-193)219-142(256)85-211-157(270)114(46-35-37-61-192)222-177(290)136(78-146(263)264)241-176(289)134(76-112-83-206-91-215-112)238-169(282)126(68-95(9)10)230-168(281)125(67-94(7)8)229-162(275)119(51-56-140(195)254)226-173(286)131(73-109-80-203-88-212-109)236-164(277)121(53-58-143(257)258)227-181(294)138(86-251)244-183(296)148(98(15)16)245-154(267)103(21)194/h29-34,42-45,80-84,88-106,114-139,148-153,251-253H,25-28,35-41,46-79,85-87,192-194H2,1-24H3,(H2,195,254)(H2,196,255)(H,203,212)(H,204,213)(H,205,214)(H,206,215)(H,207,216)(H,211,270)(H,217,297)(H,218,300)(H,219,256)(H,220,268)(H,221,269)(H,222,290)(H,223,273)(H,224,272)(H,225,280)(H,226,286)(H,227,294)(H,228,298)(H,229,275)(H,230,281)(H,231,284)(H,232,291)(H,233,287)(H,234,274)(H,235,285)(H,236,277)(H,237,283)(H,238,282)(H,239,288)(H,240,276)(H,241,289)(H,242,299)(H,243,271)(H,244,296)(H,245,267)(H,246,278)(H,247,292)(H,248,295)(H,249,279)(H,250,293)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,301,302)(H4,197,198,208)(H4,199,200,209)(H4,201,202,210)/t99-,100-,101-,102-,103-,104-,105-,106+,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,148-,149-,150-,151-,152-,153-/m0/s1"	""	""	""
"3671"	"PTHrP-(38-94)"	"Human"	"Peptide"	""	""	""	""	"178100564"	"0"	"P12272"	"ENSG00000087494"	""	""	""	""	""	""	""	"parathyroid hormone-related peptide 38-94|PTHrP (38-94)"	""	""	""	""	""	""
"1814"	"PTHrP-(7-34) (human, rat, mouse)"	""	"Peptide"	""	""	""	""	"135652423"	"155817429"	""	""	""	""	""	""	""	""	""	"parathyroid hormone related peptide 7-34"	"CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)CC"	"FEZOBILJACXPRS-HPMYYUFQSA-N"	"InChI=1S/C153H246N48O38/c1-20-82(14)120(146(234)176-85(17)124(212)179-101(46-48-117(206)207)132(220)198-122(84(16)22-3)148(236)196-111(64-93-70-167-76-175-93)144(232)201-123(87(19)203)149(237)177-86(18)150(238)239)199-143(231)105(58-81(12)13)188-138(226)108(61-90-67-164-73-172-90)193-139(227)109(62-91-68-165-74-173-91)192-135(223)104(57-80(10)11)186-136(224)107(60-89-38-27-24-28-39-89)190-137(225)106(59-88-36-25-23-26-37-88)189-130(218)99(44-35-53-170-153(162)163)182-128(216)97(42-33-51-168-151(158)159)181-129(217)98(43-34-52-169-152(160)161)183-133(221)103(56-79(8)9)187-142(230)113(66-119(210)211)194-131(219)100(45-47-115(157)204)184-147(235)121(83(15)21-2)200-145(233)114(72-202)197-127(215)96(41-30-32-50-155)178-116(205)71-171-126(214)95(40-29-31-49-154)180-141(229)112(65-118(208)209)195-140(228)110(63-92-69-166-75-174-92)191-134(222)102(55-78(6)7)185-125(213)94(156)54-77(4)5/h23-28,36-39,67-70,73-87,94-114,120-123,202-203H,20-22,29-35,40-66,71-72,154-156H2,1-19H3,(H2,157,204)(H,164,172)(H,165,173)(H,166,174)(H,167,175)(H,171,214)(H,176,234)(H,177,237)(H,178,205)(H,179,212)(H,180,229)(H,181,217)(H,182,216)(H,183,221)(H,184,235)(H,185,213)(H,186,224)(H,187,230)(H,188,226)(H,189,218)(H,190,225)(H,191,222)(H,192,223)(H,193,227)(H,194,219)(H,195,228)(H,196,236)(H,197,215)(H,198,220)(H,199,231)(H,200,233)(H,201,232)(H,206,207)(H,208,209)(H,210,211)(H,238,239)(H4,158,159,168)(H4,160,161,169)(H4,162,163,170)/t82-,83-,84-,85-,86-,87+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,120-,121-,122-,123-/m0/s1"	""	""	""
"14701"	"PTPN1/2 PROTAC X1"	""	"Synthetic organic"	""	""	""	""	""	""	""	""	""	""	""	""	""	"((4-((2S)-3-(((2S)-6-(3-bromo-4-methylbenzamido)-1-(4-(3-((2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)amino)-3-oxopropyl)piperazin-1-yl)-1-oxohexan-2-yl)amino)-2-((S)-2-(2-(4-hydroxy-3-methoxyphenyl)acetamido)-3-phenylpropanamido)-3-oxopropyl)phenyl)difluoromethyl)phosphonic acid"	""	""	"O=C(NC1=CC=CC2=C1CN(C3C(NC(CC3)=O)=O)C2=O)CCN4CCN(C([C@@H](NC([C@H](CC5=CC=C(C=C5)C(F)(P(O)(O)=O)F)NC([C@H](CC6=CC=CC=C6)NC(CC7=CC(OC)=C(C=C7)O)=O)=O)=O)CCCCNC(C=8C=C(Br)C(=CC8)C)=O)=O)CC4"	"MFNIHFVEEOWKIR-BNWZHACUSA-N"	"InChI=1S/C62H69BrF2N9O14P/c1-37-14-18-41(35-45(37)63)56(79)66-25-7-6-12-47(61(84)73-29-27-72(28-30-73)26-24-54(77)67-46-13-8-11-43-44(46)36-74(60(43)83)50-21-23-53(76)71-59(50)82)69-58(81)49(32-39-15-19-42(20-16-39)62(64,65)89(85,86)87)70-57(80)48(31-38-9-4-3-5-10-38)68-55(78)34-40-17-22-51(75)52(33-40)88-2/h3-5,8-11,13-20,22,33,35,47-50,75H,6-7,12,21,23-32,34,36H2,1-2H3,(H,66,79)(H,67,77)(H,68,78)(H,69,81)(H,70,80)(H,71,76,82)(H2,85,86,87)/t47-,48-,49-,50?/m0/s1"	"yes"	""	""
"13886"	"pucolentimab"	""	"Antibody"	"yes"	""	""	""	"513757571"	"0"	""	""	""	""	""	""	""	""	"pucotenlimab"	"HX-008|HX008|Puyouheng&reg;"	""	""	""	""	""	""
"13226"	"pudafensine"	""	"Synthetic organic"	""	""	""	""	"491300008"	"171037448"	""	""	""	""	""	""	""	"7-[(1R,3S,5S)-8-azabicyclo[3.2.1]octan-3-yloxy]-3-methoxy-3,4-dihydro-2H-1-benzopyran-2-one"	"pudafensine"	"IP2015|IPED-2015|IPED2015"	"[H][C@]12CC[C@]([H])(C[C@H](C1)OC3=CC4=C(CC(OC)C(=O)O4)C=C3)N2"	"WPAFIYCKXZOAAG-ABOKDIFFSA-N"	"InChI=1S/C17H21NO4/c1-20-16-6-10-2-5-13(9-15(10)22-17(16)19)21-14-7-11-3-4-12(8-14)18-11/h2,5,9,11-12,14,16,18H,3-4,6-8H2,1H3/t11-,12+,14-,16?"	""	""	""
"12553"	"puerarin"	""	"Natural product"	""	""	""	""	"479821343"	"5281807"	""	""	"CHEMBL486386"	""	""	""	""	"7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one"	""	"Daidzein-8-C-glucoside|Kakonein"	"C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O"	"HKEAFJYKMMKDOR-VPRICQMDSA-N"	"InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1"	""	""	""
"13891"	"pulocimab"	""	"Antibody"	""	""	""	""	"513757576"	"0"	""	""	""	""	""	""	""	""	"pulocimab"	"AK-109|AK109"	""	""	""	""	""	""
"12374"	"pumecitinib"	""	"Synthetic organic"	""	""	""	""	"479821165"	"141761076"	""	""	""	""	""	""	""	"2-[3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-1-propan-2-ylsulfonylazetidin-3-yl]acetonitrile"	"pumecitinib"	"compound I [WO2022042577A1]"	"CC(C)S(=O)(=O)N1CC(C1)(CC#N)n1cc(c(n1)N)c1c2cc[nH]c2ncn1"	"OUXYFMCMGWQWQF-UHFFFAOYSA-N"	"InChI=1S/C17H20N8O2S/c1-11(2)28(26,27)24-8-17(9-24,4-5-18)25-7-13(15(19)23-25)14-12-3-6-20-16(12)22-10-21-14/h3,6-7,10-11H,4,8-9H2,1-2H3,(H2,19,23)(H,20,21,22)"	""	""	""
"13430"	"punicalagin"	""	"Natural product"	""	""	""	""	"496703400"	"44584733"	""	""	""	""	""	""	""	""	""	""	"C1[C@@H]2[C@H]([C@H]3[C@H](C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC%10=C(C(=C(C%11=C(C(=C(C=C%11C(=O)O1)O)O)O)C(=C9%10)C(=O)O8)O)O)O)O)O)O)O"	"ZJVUMAFASBFUBG-UYMKNUMKSA-N"	"InChI=1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2/t14-,37-,40+,41-,48?/m1/s1"	""	""	""
"9928"	"puquitinib"	""	"Synthetic organic"	""	""	""	""	"363894222"	"15983184"	""	""	""	""	""	""	""	"N'-cyclopropyl-N-quinolin-6-yl-7H-purine-2,6-diamine"	""	"XC-302|XC302"	"c1cnc2c(c1)cc(cc2)Nc1nc(NC2CC2)c2c(n1)nc[nH]2"	"QUTFBURLXCODBH-UHFFFAOYSA-N"	"InChI=1S/C17H15N7/c1-2-10-8-12(5-6-13(10)18-7-1)22-17-23-15-14(19-9-20-15)16(24-17)21-11-3-4-11/h1-2,5-9,11H,3-4H2,(H3,19,20,21,22,23,24)"	""	""	""
"10356"	"purmorphamine"	""	"Synthetic organic"	""	""	""	""	"384403637"	"5284329"	""	""	"CHEMBL1221984"	""	""	""	""	"9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine"	""	""	"C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2"	"FYBHCRQFSFYWPY-UHFFFAOYSA-N"	"InChI=1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/h4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35)"	""	""	""
"13311"	"puromycin"	""	"Natural product"	""	""	""	""	"496703281"	"439530"	""	""	"CHEMBL469912"	""	""	""	""	"(2S)-2-amino-N-[(2S,3S,4R,5R)-5-(6-dimethylaminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide"	"puromycin"	"achromycin"	"CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CC4=CC=C(C=C4)OC)N)O"	"RXWNCPJZOCPEPQ-NVWDDTSBSA-N"	"InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1"	""	""	"yes"
"6030"	"purvalanol A"	""	"Synthetic organic"	""	""	""	""	"178102652"	"4987"	""	""	""	""	""	""	""	"2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol"	""	"AC1L1JD0|IN1131|L-745,870"	"OCC(C(C)C)Nc1nc(Nc2cccc(c2)Cl)c2c(n1)n(cn2)C(C)C"	"PMXCMJLOPOFPBT-UHFFFAOYSA-N"	"InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)"	""	""	""
"7806"	"purvalanol B"	""	"Synthetic organic"	""	""	""	""	"223366137"	"448991"	""	""	"CHEMBL23254"	""	""	""	""	"2-chloro-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzoic acid"	""	"NG-95|NG95"	"OC[C@@H](C(C)C)Nc1nc(Nc2ccc(c(c2)Cl)C(=O)O)c2c(n1)n(cn2)C(C)C"	"ZKDXRFMOHZVXSG-HNNXBMFYSA-N"	"InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1"	""	""	""
"2388"	"putrescine"	""	"Metabolite"	""	""	""	""	"135651553"	"1045"	""	""	"CHEMBL46257"	""	""	""	""	"but-2-ynedinitrile"	""	""	"NCCCCN"	"KIDHWZJUCRJVML-UHFFFAOYSA-N"	"InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2"	""	""	""
"9167"	"PWT1-NPS"	""	"Peptide"	""	""	""	""	"315661250"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"8865"	"PWT2-N/OFQ"	""	"Peptide"	""	""	""	""	"252827522"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9753"	"PXS-4681A"	""	"Synthetic organic"	""	""	""	""	"354702226"	"72190183"	""	""	""	""	""	""	""	"4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]benzenesulfonamide"	""	""	"NC/C(=C\F)/COc1ccc(cc1)S(=O)(=O)N"	"GJRSZKOPZAJCGZ-VMPITWQZSA-N"	"InChI=1S/C10H13FN2O3S/c11-5-8(6-12)7-16-9-1-3-10(4-2-9)17(13,14)15/h1-5H,6-7,12H2,(H2,13,14,15)/b8-5+"	"yes"	""	""
"9346"	"PXS-4728A"	""	"Synthetic organic"	""	""	""	""	"328083448"	"71812247"	""	""	""	""	""	""	""	"4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-tert-butylbenzamide"	""	"PXS4728A"	"NC/C(=C\F)/COc1ccc(cc1)C(=O)NC(C)(C)C"	"OWNSXNXYELKDSO-DHZHZOJOSA-N"	"InChI=1S/C15H21FN2O2/c1-15(2,3)18-14(19)12-4-6-13(7-5-12)20-10-11(8-16)9-17/h4-8H,9-10,17H2,1-3H3,(H,18,19)/b11-8+"	"yes"	""	""
"10282"	"Pyr10"	""	"Synthetic organic"	""	""	""	""	"381744963"	"53475435"	""	""	""	""	""	""	""	"N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzenesulfonamide"	""	"Pyr-10"	"Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C(F)(F)F"	"CVALMMCIOLXHDM-UHFFFAOYSA-N"	"InChI=1S/C18H13F6N3O2S/c1-11-2-8-14(9-3-11)30(28,29)26-12-4-6-13(7-5-12)27-16(18(22,23)24)10-15(25-27)17(19,20)21/h2-10,26H,1H3"	""	""	""
"4293"	"Pyr3"	""	"Synthetic organic"	""	""	""	""	"178101110"	"56964346"	""	""	""	""	""	""	""	"ethyl 1-[4-(trichloroprop-2-enamido)phenyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate"	""	""	"CCOC(=O)c1cnn(c1C(F)(F)F)c1ccc(cc1)NC(=O)C(=C(Cl)Cl)Cl"	"RZHGONNSASQOAY-UHFFFAOYSA-N"	"InChI=1S/C16H11Cl3F3N3O3/c1-2-28-15(27)10-7-23-25(12(10)16(20,21)22)9-5-3-8(4-6-9)24-14(26)11(17)13(18)19/h3-7H,2H2,1H3,(H,24,26)"	""	""	""
"7287"	"pyrazinamide"	""	"Synthetic organic"	"yes"	""	""	""	"178103861"	"1046"	""	""	"CHEMBL614"	""	""	""	""	"pyrazine-2-carboximidic acid"	"pyrazinamide"	"aldinamide|Zinamide&reg;"	"OC(=N)c1cnccn1"	"IPEHBUMCGVEMRF-UHFFFAOYSA-N"	"InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)"	""	""	"yes"
"12533"	"Pyrazolo-pyrimidine 14a [PMID: 29859875]"	""	"Synthetic organic"	""	""	""	""	"479821323"	"121279840"	""	""	""	""	""	""	""	"ethyl 4-[3-(4-fluorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpiperidine-1-carboxylate"	""	""	"FC1=CC=C(C=C1)C=2C(=NN3C2N=C(C=C3O)C4(CCN(CC4)C(=O)OCC)C)C"	"WKUQEYZPMNAQMG-UHFFFAOYSA-N"	"InChI=1S/C22H25FN4O3/c1-4-30-21(29)26-11-9-22(3,10-12-26)17-13-18(28)27-20(24-17)19(14(2)25-27)15-5-7-16(23)8-6-15/h5-8,13,28H,4,9-12H2,1-3H3"	""	""	""
"10281"	"pyrazolopyrimidine 4n"	""	"Synthetic organic"	""	""	""	""	"381744962"	"121279842"	""	""	""	""	""	""	""	"ethyl 4-[2-methyl-7-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate"	""	""	"CCOC(=O)N1CCC(CC1)c1cc(O)n2c(n1)c(c1ccc(cc1)C(F)(F)F)c(n2)C"	"JCCIFATWQJZIDU-UHFFFAOYSA-N"	"InChI=1S/C22H23F3N4O3/c1-3-32-21(31)28-10-8-14(9-11-28)17-12-18(30)29-20(26-17)19(13(2)27-29)15-4-6-16(7-5-15)22(23,24)25/h4-7,12,14,30H,3,8-11H2,1-2H3"	""	""	""
"13449"	"pyridomycin"	""	"Natural product"	""	""	""	""	"500839859"	"3037036"	""	""	"CHEMBL2323585"	""	""	""	""	"N-[(2Z,5R,6S,9S,10S,11R)-2-butan-2-ylidene-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-3-hydroxypyridine-2-carboxamide"	""	"erizomycin"	"CC/C(=C\1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)CC2=CN=CC=C2)NC(=O)C3=C(C=CC=N3)O)C)/C"	"WHIKSLGSXKIHCA-IGCCMALHSA-N"	"InChI=1S/C27H32N4O8/c1-5-14(2)23-27(37)38-16(4)20(31-25(35)21-19(32)9-7-11-29-21)24(34)30-18(12-17-8-6-10-28-13-17)22(33)15(3)26(36)39-23/h6-11,13,15-16,18,20,22,32-33H,5,12H2,1-4H3,(H,30,34)(H,31,35)/b23-14-/t15-,16-,18+,20+,22+/m1/s1"	""	""	"yes"
"8994"	"pyridostigmine"	""	"Synthetic organic"	"yes"	""	""	""	"310264772"	"4991"	""	""	"CHEMBL1115"	""	""	""	""	"(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate"	"pyridostigmine bromide"	"Mestinon&reg;|Regonol&reg;"	"C[n+]1cccc(c1)OC(=O)N(C)C"	"RVOLLAQWKVFTGE-UHFFFAOYSA-N"	"InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1"	""	""	""
"5249"	"pyridoxal 5-phosphate"	""	"Metabolite"	""	""	""	""	"178101933"	"1051"	""	""	"CHEMBL82202"	""	""	""	""	"[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid"	""	"P5P|PLP|pyridoxal phosphate"	"O=Cc1c(COP(=O)(O)O)cnc(c1O)C"	"NGVDGCNFYWLIFO-UHFFFAOYSA-N"	"InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)"	""	""	""
"4800"	"pyrimethamine"	""	"Synthetic organic"	"yes"	""	""	""	"178101502"	"4993"	""	""	"CHEMBL36"	""	""	""	""	"5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine"	"pyrimethamine"	"Daraprim&reg;|GNF-Pf-5586|TCMDC-125860"	"CCc1nc(N)nc(c1c1ccc(cc1)Cl)N"	"WKSAUQYGYAYLPV-UHFFFAOYSA-N"	"InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)"	""	"yes"	""
"13596"	"pyrogallol"	""	"Natural product"	""	""	""	""	"504705415"	"1057"	""	""	"CHEMBL307145"	""	""	""	""	"benzene-1,2,3-triol"	""	"Pyrogallic acid"	"C1=CC(=C(C(=C1)O)O)O"	"WQGWDDDVZFFDIG-UHFFFAOYSA-N"	"InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H"	""	""	""
"4703"	"pyroglutamic acid"	""	"Metabolite"	""	""	""	""	"178101415"	"499"	""	""	"CHEMBL284718"	""	""	""	""	"5-oxopyrrolidine-2-carboxylic acid"	"pidolic acid"	"pidolic acid|pyroglutamate"	"O=C1CCC(N1)C(=O)O"	"ODHCTXKNWHHXJC-UHFFFAOYSA-N"	"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)"	""	""	""
"10086"	"pyronaridine"	""	"Synthetic organic"	""	""	""	""	"381118796"	"107771"	""	""	"CHEMBL35228"	""	""	""	""	"4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol"	"pyronaridine"	"7351|Malaridine&reg;"	"COc1ccc2c(n1)c(Nc1cc(CN3CCCC3)c(c(c1)CN1CCCC1)O)c1c(n2)cc(cc1)Cl"	"DJUFPMUQJKWIJB-UHFFFAOYSA-N"	"InChI=1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32)"	""	"yes"	""
"9662"	"pyrotinib"	""	"Synthetic organic"	"yes"	""	""	""	"348353621"	"51039030"	""	""	"CHEMBL3647420"	""	""	""	""	"(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide"	""	"Airuini&reg;|compound 12 [PMID: 28115222]|SHR-1258|SHR1258"	"CCOc1cc2ncc(c(c2cc1NC(=O)/C=C/[C@H]1CCCN1C)Nc1ccc(c(c1)Cl)OCc1ccccn1)C#N"	"SADXACCFNXBCFY-IYNHSRRRSA-N"	"InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1"	""	""	""
"7756"	"pyrrolidine MCHR1 antagonist 1"	""	"Synthetic organic"	""	""	""	""	"223366089"	"54579974"	""	""	"CHEMBL1760248"	""	""	""	""	"N-(3-chlorophenyl)-2-[(3R,4S)-1-[2-(4-hydroxyoxan-4-yl)ethyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide"	""	""	"COc1ccc(cc1)[C@H]1CN(C[C@@H]1CC(=O)Nc1cccc(c1)Cl)CCC1(O)CCOCC1"	"OLINDOIRFAZHRH-GBXCKJPGSA-N"	"InChI=1S/C26H33ClN2O4/c1-32-23-7-5-19(6-8-23)24-18-29(12-9-26(31)10-13-33-14-11-26)17-20(24)15-25(30)28-22-4-2-3-21(27)16-22/h2-8,16,20,24,31H,9-15,17-18H2,1H3,(H,28,30)/t20-,24+/m0/s1"	""	""	""
"5731"	"pyrrolopyrimidine 48 [PMID: 22318156]"	""	"Synthetic organic"	""	""	""	""	"178102357"	"73755149"	""	""	""	""	""	""	""	"2-[4-({7-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)piperidin-1-yl]pyridine"	""	""	"c1ccc(cc1)Cn1ccc2c1ncnc2OC1CCN(CC1)c1ccccn1"	"ZMRCFNOIVYNNGH-UHFFFAOYSA-N"	"InChI=1S/C23H23N5O/c1-2-6-18(7-3-1)16-28-15-11-20-22(28)25-17-26-23(20)29-19-9-13-27(14-10-19)21-8-4-5-12-24-21/h1-8,11-12,15,17,19H,9-10,13-14,16H2"	""	""	""
"599"	"[Pyr<sup>1</sup>]apelin-13"	"Human, Mouse, Rat"	"Peptide"	""	""	""	""	"135651872"	"0"	"Q9R0R3|Q9R0R4|Q9ULZ1"	"ENSG00000171388|ENSRNOG00000003984|ENSMUSG00000037010"	""	""	""	""	""	""	""	"Glu<sup>1</sup>-apelin-13"	""	""	""	""	""	""
"4809"	"pyruvic acid"	""	"Metabolite"	""	""	""	""	"178101511"	"1060"	""	""	"CHEMBL1162144"	""	""	""	""	"2-oxopropanoic acid"	""	"pyruvate"	"OC(=O)C(=O)C"	"LCTONWCANYUPML-UHFFFAOYSA-N"	"InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)"	""	""	""
"1516"	"PYY-(13-36) (mouse, rat, pig)"	""	"Peptide"	""	""	""	""	"135652426"	"57339564"	""	""	""	""	""	""	""	""	""	"porcine peptide tyrosine tyrosine (13-36)|porcine peptide YY (13-36)|rat peptide tyrosine tyrosine (13-36)|rat peptide YY (13-36)"	"CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C"	"IAZLNMARDOOODL-PRZASUQOSA-N"	"InChI=1S/C135H208N40O39/c1-65(2)50-89(164-126(208)99(62-177)171-108(190)70(11)153-116(198)93(54-72-23-31-77(180)32-24-72)166-121(203)94(55-73-25-33-78(181)34-26-73)165-110(192)83(19-14-46-149-133(141)142)156-125(207)100(63-178)172-119(201)91(52-67(5)6)161-115(197)87(40-43-104(186)187)158-114(196)88(41-44-105(188)189)159-127(209)101-22-17-49-175(101)130(212)81(136)61-176)117(199)155-82(18-13-45-148-132(139)140)111(193)168-96(58-76-60-147-64-152-76)122(204)167-95(56-74-27-35-79(182)36-28-74)120(202)162-90(51-66(3)4)118(200)169-97(59-103(138)185)123(205)163-92(53-68(7)8)124(206)173-106(69(9)10)128(210)174-107(71(12)179)129(211)160-85(21-16-48-151-135(145)146)109(191)157-86(39-42-102(137)184)113(195)154-84(20-15-47-150-134(143)144)112(194)170-98(131(213)214)57-75-29-37-80(183)38-30-75/h23-38,60,64-71,81-101,106-107,176-183H,13-22,39-59,61-63,136H2,1-12H3,(H2,137,184)(H2,138,185)(H,147,152)(H,153,198)(H,154,195)(H,155,199)(H,156,207)(H,157,191)(H,158,196)(H,159,209)(H,160,211)(H,161,197)(H,162,202)(H,163,205)(H,164,208)(H,165,192)(H,166,203)(H,167,204)(H,168,193)(H,169,200)(H,170,194)(H,171,190)(H,172,201)(H,173,206)(H,174,210)(H,186,187)(H,188,189)(H,213,214)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)/t70-,71+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,106-,107-/m0/s1"	""	""	""
"1517"	"PYY-(3-36)"	"Human"	"Peptide"	""	""	""	""	"135651876"	"0"	"P10082"	"ENSG00000131096"	""	""	""	""	""	""	""	"human peptide tyrosine tyrosine (3-36)|human peptide YY (3-36)|PYY (3-36)|PYY<sub>3-36</sub>"	""	""	""	""	""	""
"1554"	"PYY-(3-36)"	"Mouse, Rat"	"Peptide"	""	""	""	""	"135651875"	"0"	"Q9EPS2|P10631"	"ENSMUSG00000017311"	""	""	""	""	""	""	""	"peptide tyrosine tyrosine (3-36)|peptide YY (3-36)|PYY (3-36)|PYY<sub>3-36</sub>"	""	""	""	""	""	""
"1543"	"PYY-(3-36) (pig)"	""	"Peptide"	""	""	""	""	"135652427"	"91663466"	""	""	""	""	""	""	""	""	""	"porcine peptide tyrosine tyrosine (3-36)|porcine peptide YY (3-36)"	"CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C"	"ZNNVQCVFCHLUQQ-NYGOYQSZSA-N"	"InChI=1S/C176H271N51O55/c1-84(2)67-113(154(263)201-103(26-18-60-190-173(181)182)146(255)216-120(75-98-78-189-83-195-98)159(268)215-119(73-96-37-45-101(234)46-38-96)157(266)210-114(68-85(3)4)155(264)217-121(76-131(180)237)160(269)211-116(70-87(7)8)161(270)223-138(88(9)10)167(276)224-139(93(15)231)168(277)207-106(29-21-63-193-176(187)188)144(253)203-108(49-54-130(179)236)149(258)200-105(28-20-62-192-175(185)186)147(256)219-123(172(281)282)74-97-39-47-102(235)48-40-97)212-163(272)124(80-228)220-141(250)90(12)196-152(261)117(71-94-33-41-99(232)42-34-94)214-158(267)118(72-95-35-43-100(233)44-36-95)213-145(254)104(27-19-61-191-174(183)184)202-162(271)125(81-229)221-156(265)115(69-86(5)6)209-151(260)110(52-57-135(243)244)204-150(259)111(53-58-136(245)246)206-166(275)129-32-24-66-227(129)171(280)126(82-230)222-142(251)91(13)197-153(262)122(77-137(247)248)218-148(257)107(50-55-133(239)240)199-132(238)79-194-164(273)127-30-22-64-225(127)169(278)92(14)198-143(252)109(51-56-134(241)242)205-165(274)128-31-23-65-226(128)170(279)112(25-16-17-59-177)208-140(249)89(11)178/h33-48,78,83-93,103-129,138-139,228-235H,16-32,49-77,79-82,177-178H2,1-15H3,(H2,179,236)(H2,180,237)(H,189,195)(H,194,273)(H,196,261)(H,197,262)(H,198,252)(H,199,238)(H,200,258)(H,201,263)(H,202,271)(H,203,253)(H,204,259)(H,205,274)(H,206,275)(H,207,277)(H,208,249)(H,209,260)(H,210,266)(H,211,269)(H,212,272)(H,213,254)(H,214,267)(H,215,268)(H,216,255)(H,217,264)(H,218,257)(H,219,256)(H,220,250)(H,221,265)(H,222,251)(H,223,270)(H,224,276)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,281,282)(H4,181,182,190)(H4,183,184,191)(H4,185,186,192)(H4,187,188,193)/t89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,138-,139-/m0/s1"	""	""	""
"12403"	"PZ-II-029"	""	"Synthetic organic"	""	""	""	""	"479821194"	"10426200"	""	""	"CHEMBL43948"	""	""	""	""	"7-methoxy-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one"	""	"compound 6 [PMID: 23472852]|compound 6 [PMID: 23472935]|PZ II-029"	"COc1ccc(cc1)n1c(=O)c2cnc3cc(ccc3c2[nH]1)OC"	"CGOOCGJMECBDCB-UHFFFAOYSA-N"	"InChI=1S/C18H15N3O3/c1-23-12-5-3-11(4-6-12)21-18(22)15-10-19-16-9-13(24-2)7-8-14(16)17(15)20-21/h3-10,20H,1-2H3"	""	""	""
"13865"	"PZL-A"	""	"Synthetic organic"	""	""	""	""	"513757550"	"172916360"	""	""	""	""	""	""	""	"1-[(4S)-8-chloro-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(1-phenyl-1H-pyrazol-3-yl)urea"	""	""	"ClC1=CC=CC2=C1OCC[C@@H]2NC(=O)NC3=NN(C=C3)C4=CC=CC=C4"	"BSTIDGXIEVTIMB-INIZCTEOSA-N"	"InChI=1S/C19H17ClN4O2/c20-15-8-4-7-14-16(10-12-26-18(14)15)21-19(25)22-17-9-11-24(23-17)13-5-2-1-3-6-13/h1-9,11,16H,10,12H2,(H2,21,22,23,25)/t16-/m0/s1"	""	""	""
"9286"	"PZM21"	""	"Synthetic organic"	""	""	""	""	"318164805"	"121596705"	""	""	""	""	""	""	""	"1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-(thiophen-3-yl)propan-2-yl]urea"	""	"(S,S)-1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea|(S,S)-21 [PMID: 27533032]"	"C[C@@H](Cc1cscc1)NC(=O)NC[C@@H](N(C)C)Cc1ccc(cc1)O"	"MEDBIJOVZJEMBI-YOEHRIQHSA-N"	"InChI=1S/C19H27N3O2S/c1-14(10-16-8-9-25-13-16)21-19(24)20-12-17(22(2)3)11-15-4-6-18(23)7-5-15/h4-9,13-14,17,23H,10-12H2,1-3H3,(H2,20,21,24)/t14-,17-/m0/s1"	""	""	""
"5815"	"QA1"	""	"Synthetic organic"	""	""	""	""	"178102440"	"44156964"	""	""	"CHEMBL1210313"	""	""	""	""	"N-(3-methyl-1-morpholin-4-ylpentan-3-yl)-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide"	""	""	"CCC(N(C(=O)C1CCCCC1)Cc1cc2ccccc2n(c1=O)C)(CCN1CCOCC1)C"	"FWHNGUFKFXDMER-UHFFFAOYSA-N"	"InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3"	""	""	""
"8996"	"QAV680"	""	"Synthetic organic"	""	""	""	""	"310264774"	"11508736"	""	""	"CHEMBL2442750"	""	""	""	""	"2-[2-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrrolo[5,4-b]pyridin-3-yl]acetic acid"	""	"NVP-QAV680"	"OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1)S(=O)(=O)C"	"YOPFAMROKXHVCQ-UHFFFAOYSA-N"	"InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)"	"yes"	""	""
"10544"	"QC-01-175"	""	"Synthetic organic"	""	""	""	""	"387065621"	"139593563"	""	""	""	""	""	""	""	""	""	""	"O=C(CCc1ccc2c(c1)[nH]c1c2cncc1)NCCOCCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O"	"NWTCZTAQSRLSCP-UHFFFAOYSA-N"	"InChI=1S/C33H34N6O7/c40-28(8-5-20-4-6-21-23-19-34-11-10-24(23)37-26(21)18-20)36-13-15-46-17-16-45-14-12-35-25-3-1-2-22-30(25)33(44)39(32(22)43)27-7-9-29(41)38-31(27)42/h1-4,6,10-11,18-19,27,35,37H,5,7-9,12-17H2,(H,36,40)(H,38,41,42)"	""	""	""
"13143"	"QC-182"	""	"Synthetic organic"	""	""	""	""	"491299925"	"170836196"	""	""	""	""	""	""	""	"5-(3-(4-(2-((S)-1-(3,4-Difluorophenyl)-6-oxopiperidin-2-yl)-5-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione"	""	"compound 19 [PMID: 38316017]"	"O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=C(N4CC(C4)N5CCC(N6C([C@H]7N(C8=CC(F)=C(F)C=C8)C(CCC7)=O)=NC9=CC(C%10=C(C)ON=C%10C)=CC=C96)CC5)C=C31)=O"	"OCWNROZULZWRQM-NWDJCJOJSA-N"	"InChI=1S/C44H42F2N8O6/c1-23-40(24(2)60-49-23)25-6-11-35-34(18-25)47-41(36-4-3-5-39(56)52(36)28-8-10-32(45)33(46)20-28)53(35)26-14-16-50(17-15-26)29-21-51(22-29)27-7-9-30-31(19-27)44(59)54(43(30)58)37-12-13-38(55)48-42(37)57/h6-11,18-20,26,29,36-37H,3-5,12-17,21-22H2,1-2H3,(H,48,55,57)/t36-,37?/m0/s1"	""	""	""
"13527"	"QM107"	""	"Peptide"	""	""	""	""	"500839937"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"7845"	"QNZ 46"	""	"Synthetic organic"	""	""	""	""	"223366175"	"76850154"	""	""	""	""	""	""	""	"4-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxo-4aH-quinazolin-3-ium-3-yl]benzoic acid"	""	"KB-275239"	"COC1=CC2C(=NC(=[N+](C2=O)c2ccc(cc2)C(=O)O)/C=C/c2cccc(c2)[N+](=O)[O-])C=C1"	"ZLXASDKCRPAANV-LFYBBSHMSA-O"	"InChI=1S/C24H17N3O6/c1-33-19-10-11-21-20(14-19)23(28)26(17-8-6-16(7-9-17)24(29)30)22(25-21)12-5-15-3-2-4-18(13-15)27(31)32/h2-14,20H,1H3/p+1/b12-5+"	""	""	""
"7669"	"QO-58"	""	"Synthetic organic"	""	""	""	""	"223366004"	"51351551"	""	""	"CHEMBL1689654"	""	""	""	""	"5-(2,6-dichloro-5-fluoropyridin-3-yl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one"	""	""	"Clc1nc(Cl)c(cc1c1cc(=O)n2c([nH]1)c(c1ccccc1)c(n2)C(F)(F)F)F"	"JEXACLGXUUYXDX-UHFFFAOYSA-N"	"InChI=1S/C18H8Cl2F4N4O/c19-15-9(6-10(21)16(20)26-15)11-7-12(29)28-17(25-11)13(8-4-2-1-3-5-8)14(27-28)18(22,23)24/h1-7,25H"	""	""	""
"13400"	"QP5020"	""	"Synthetic organic"	""	""	""	""	"496703370"	"169494341"	""	""	""	""	""	""	""	"3-(6-fluoropyridin-3-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]benzonitrile"	""	"compound 4 [PMID: 38097557]|QP-5020"	"CN1C=NN=C1C2CCN(CC2)C3=C(C=CC=C3C4=CN=C(C=C4)F)C#N"	"LCDPXGBXYYBDQE-UHFFFAOYSA-N"	"InChI=1S/C20H19FN6/c1-26-13-24-25-20(26)14-7-9-27(10-8-14)19-15(11-22)3-2-4-17(19)16-5-6-18(21)23-12-16/h2-6,12-14H,7-10H2,1H3"	""	""	""
"13401"	"QP5038"	""	"Synthetic organic"	""	""	""	""	"496703371"	"169494342"	""	""	""	""	""	""	""	"3-(6-fluoropyridin-3-yl)-2-[4-(3-methylimidazol-4-yl)piperidin-1-yl]benzonitrile"	""	"compound 28 [PMID: 38097557]|QP-5038"	"CN1C=NC=C1C2CCN(CC2)C3=C(C=CC=C3C4=CN=C(C=C4)F)C#N"	"IUBVPNGSCDYBJU-UHFFFAOYSA-N"	"InChI=1S/C21H20FN5/c1-26-14-24-13-19(26)15-7-9-27(10-8-15)21-16(11-23)3-2-4-18(21)17-5-6-20(22)25-12-17/h2-6,12-15H,7-10H2,1H3"	""	""	""
"12511"	"QR-6401"	""	"Synthetic organic"	""	""	""	""	"479821301"	"167993648"	""	""	""	""	""	""	""	""	""	"compound 23 [PMID: 36923916]|QR6401"	"CC(C)(C)N1N=C2C=C1NC3=CC=CC(CO[C@H]4C[C@@H](C4)NC(=O)C[C@@H]5CC[C@H]2C5)=N3"	"MMTJVNRCAAQTPS-UKBAYJJMSA-N"	"InChI=1S/C24H33N5O2/c1-24(2,3)29-22-13-20(28-29)16-8-7-15(9-16)10-23(30)26-18-11-19(12-18)31-14-17-5-4-6-21(25-17)27-22/h4-6,13,15-16,18-19H,7-12,14H2,1-3H3,(H,25,27)(H,26,30)/t15-,16+,18-,19-/m1/s1"	""	""	""
"10251"	"QRFP26"	"Rat"	"Peptide"	""	""	""	""	"381744933"	"0"	"OX26_RAT"	"ENSRNOG00000046473"	""	""	""	""	""	""	""	"26RFa"	""	""	""	""	""	""
"5896"	"QRFP26"	"Mouse"	"Peptide"	""	""	""	""	"178102519"	"0"	"A2AV24"	"ENSMUSG00000043102"	""	""	""	""	""	""	""	"mouse homologue of P518|P550"	""	""	""	""	""	""
"5895"	"QRFP26 (26RFa)"	"Human"	"Peptide"	""	""	""	""	"178102518"	"0"	"P83859"	"ENSG00000188710"	""	""	""	""	""	""	""	"26RFa|P518"	""	""	""	""	""	""
"3713"	"QRFP43"	"Rat"	"Peptide"	""	""	""	""	"135651878"	"0"	"P83860"	"ENSRNOG00000046473"	""	""	""	""	""	""	""	"pyroglutamylated arginine-phenylalanine-amide peptide|QRFP-43"	""	""	""	""	""	""
"3712"	"QRFP43"	"Mouse"	"Peptide"	""	""	""	""	"135651877"	"0"	"Q8CE23"	"ENSMUSG00000043102"	""	""	""	""	""	""	""	"pyroglutamylated arginine-phenylalanine-amide peptide|QRFP-43"	""	""	""	""	""	""
"3665"	"QRFP43 (43RFa)"	"Human"	"Peptide"	""	""	""	""	"135651879"	"0"	"P83859"	"ENSG00000188710"	""	""	""	""	""	""	""	"43RFa|pyroglutamylated arginine-phenylalanine-amide peptide|QRFP|QRFP-43"	""	""	""	""	""	""
"14671"	"QTX3034"	""	"Synthetic organic"	""	""	""	""	"530846919"	"169145642"	""	""	""	""	""	""	""	"3-chloro-5-[(4S)-2'-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6'-methylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,8-dihydropyrido[4,3-d]pyrimidine]-4'-yl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide"	""	"Compound 64 [WO2023154766]|QTX-3034"	"C1[C@@H](F)CN2CCC[C@@]12COC=3N=C(N4CCCN5N=C(C(=O)N(C)C)C(Cl)=C5C4)C=6CN(C)[C@]7(C=8C=CC=CC8CCC7)CC6N3"	"VHGONFNSHQOROQ-WOGOVJIYSA-N"	"InChI=1S/C35H44ClFN8O2/c1-41(2)32(46)30-29(36)28-21-43(14-8-16-45(28)40-30)31-25-20-42(3)35(13-6-10-23-9-4-5-11-26(23)35)18-27(25)38-33(39-31)47-22-34-12-7-15-44(34)19-24(37)17-34/h4-5,9,11,24H,6-8,10,12-22H2,1-3H3/t24-,34+,35+/m1/s1"	""	""	""
"13059"	"quabodepistat"	""	"Synthetic organic"	""	""	""	""	"491299841"	"118904282"	""	""	"CHEMBL5095080"	""	""	""	""	"5-[[(3R,4R)-1-(4-chloro-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one"	"quabodepistat"	"OPC-167832"	"C1CC(=O)NC2=C(C=CC(=C21)OC[C@@]3(CCN(C[C@H]3O)C4=C(C=C(C=C4F)Cl)F)O)F"	"XZISSTDXPBUCJA-DYESRHJHSA-N"	"InChI=1S/C21H20ClF3N2O4/c22-11-7-14(24)20(15(25)8-11)27-6-5-21(30,17(28)9-27)10-31-16-3-2-13(23)19-12(16)1-4-18(29)26-19/h2-3,7-8,17,28,30H,1,4-6,9-10H2,(H,26,29)/t17-,21-/m1/s1"	""	""	"yes"
"1633"	"quadazocine"	""	"Synthetic organic"	""	""	""	""	"135650868"	"115077"	""	""	""	""	""	""	""	""	"quadazocine"	"(-)-quadazocine|(-)-WIN 44,441"	"O=C(CCC1(C)[C@H]2Cc3c([C@]1(C)CCN2C)cc(cc3)O)CCC1CCCC1"	"LOYWOYCPSWPKFH-CSIQULDISA-N"	"InChI=1S/C25H37NO2/c1-24-14-15-26(3)23(16-19-9-11-21(28)17-22(19)24)25(24,2)13-12-20(27)10-8-18-6-4-5-7-18/h9,11,17-18,23,28H,4-8,10,12-16H2,1-3H3/t23-,24+,25?/m1/s1"	""	""	""
"13890"	"quavonlimab"	""	"Antibody"	""	""	""	""	"513757575"	"0"	""	""	""	""	""	""	""	""	"quavonlimab"	"MK-1308|MK1308"	""	""	""	"yes"	""	""
"7288"	"quazepam"	""	"Synthetic organic"	"yes"	""	""	""	"178103862"	"4999"	""	""	"CHEMBL1200472"	""	""	""	""	"7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepine-2-thione"	"quazepam"	"Doral&reg;|SCH-16134"	"Clc1ccc2c(c1)C(=NCC(=S)N2CC(F)(F)F)c1ccccc1F"	"IKMPWMZBZSAONZ-UHFFFAOYSA-N"	"InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2"	""	""	""
"14064"	"quecitinib"	""	"Synthetic organic"	""	""	""	""	"518520691"	"156188109"	""	""	""	""	""	""	""	""	"quecitinib"	"QY-201|QY201|VVN-461|VVN461"	"O[C@H](C)C1=NC=2C(=C3C(=NC2)NC=C3)N1N4CCC(CC4)CC#N"	"LUQHXRXPKKQUKV-LLVKDONJSA-N"	"InChI=1S/C17H20N6O/c1-11(24)17-21-14-10-20-16-13(3-7-19-16)15(14)23(17)22-8-4-12(2-6-18)5-9-22/h3,7,10-12,24H,2,4-5,8-9H2,1H3,(H,19,20)/t11-/m1/s1"	"yes"	""	""
"10707"	"quemliclustat"	""	"Synthetic organic"	""	""	""	""	"404859154"	"130205852"	""	""	""	""	""	""	""	"[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid"	"quemliclustat"	"AB-680|AB680"	"O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ncc2c1nc(Cl)cc2N[C@H](c1ccccc1F)C)COP(=O)(CP(=O)(O)O)O"	"MFYLCAMJNGIULC-KCVUFLITSA-N"	"InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1"	"yes"	""	""
"5346"	"quercetin"	""	"Natural product"	""	""	""	""	"178102008"	"5280343"	""	""	"CHEMBL50"	""	""	""	""	"2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one"	""	""	"Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O"	"REFJWTPEDVJJIY-UHFFFAOYSA-N"	"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H"	""	""	""
"50"	"quetiapine"	""	"Synthetic organic"	"yes"	""	""	""	"135650869"	"5002"	""	""	"CHEMBL716"	""	""	""	""	"2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol"	"quetiapine"	"Seroquel&reg;|ZM-204636"	"OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2"	"URKOMYMAXPYINW-UHFFFAOYSA-N"	"InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2"	""	""	""
"8998"	"quilizumab"	""	"Antibody"	""	""	""	""	"310264776"	"0"	""	""	""	""	""	""	""	""	"quilizumab"	"47H4 v5 hulgG1|MEMP1972A|RG-7449"	""	""	""	"yes"	""	""
"6350"	"quinapril"	""	"Synthetic organic"	"yes"	""	""	""	"178102968"	"54892"	""	""	"CHEMBL1592"	""	""	""	""	"(3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid"	"quinapril"	"Accupril&reg;|Accupro&reg;|Accuretic&reg;|CI-906"	"CCOC(=O)[C@@H](N[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)C)CCc1ccccc1"	"JSDRRTOADPPCHY-HSQYWUDLSA-N"	"InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22-/m0/s1"	""	""	""
"6352"	"quinaprilat"	""	"Synthetic organic"	"yes"	""	""	""	"178102970"	"107994"	""	""	"CHEMBL1733"	""	""	""	""	"(3S)-2-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid"	"quinaprilat"	"CL-928"	"OC(=O)[C@@H](N[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)C)CCc1ccccc1"	"FLSLEGPOVLMJMN-YSSFQJQWSA-N"	"InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1"	""	""	""
"12554"	"quinazolin-4(3H) derivative 36"	""	"Synthetic organic"	""	""	""	""	"479821344"	"137628676"	""	""	"CHEMBL4437589"	""	""	""	""	"8-fluoro-3-[4-(4-fluorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-one"	""	"compound 36 [PMID: 30629441]|TRPV4 agonist 36"	"O=C1C=2C=CC=C(F)C2N=C(N3CCN(C)CC3)N1C4=CC=C(OC5=CC=C(F)C=C5)C=C4"	"NUGPMKZYSBKNPU-UHFFFAOYSA-N"	"InChI=1S/C25H22F2N4O2/c1-29-13-15-30(16-14-29)25-28-23-21(3-2-4-22(23)27)24(32)31(25)18-7-11-20(12-8-18)33-19-9-5-17(26)6-10-19/h2-12H,13-16H2,1H3"	""	""	""
"6265"	"quin-C1"	""	"Synthetic organic"	""	""	""	""	"178102885"	"11751175"	""	""	""	""	""	""	""	"4-butoxy-N-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide"	""	""	"CCCCOc1ccc(cc1)C(=O)NN1C(Nc2c(C1=O)cccc2)c1ccc(cc1)OC"	"XORVAHQXRDLSFT-UHFFFAOYSA-N"	"InChI=1S/C26H27N3O4/c1-3-4-17-33-21-15-11-19(12-16-21)25(30)28-29-24(18-9-13-20(32-2)14-10-18)27-23-8-6-5-7-22(23)26(29)31/h5-16,24,27H,3-4,17H2,1-2H3,(H,28,30)"	""	""	""
"1039"	"quin-C7"	""	"Synthetic organic"	""	""	""	""	"135650870"	"11647668"	""	""	""	""	""	""	""	"4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide"	""	""	"CCCCOc1ccc(cc1)C(=O)NN1C(Nc2c(C1=O)cccc2)c1ccc(cc1)O"	"URGRPHVKOQXJLZ-UHFFFAOYSA-N"	"InChI=1S/C25H25N3O4/c1-2-3-16-32-20-14-10-18(11-15-20)24(30)27-28-23(17-8-12-19(29)13-9-17)26-22-7-5-4-6-21(22)25(28)31/h4-15,23,26,29H,2-3,16H2,1H3,(H,27,30)"	""	""	""
"954"	"quinelorane"	""	"Synthetic organic"	""	""	""	""	"135650871"	"57242"	""	""	"CHEMBL155731"	""	""	""	""	"(5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine"	"quinelorane"	""	"CCCN1CCC[C@H]2[C@H]1Cc1cnc(nc1C2)N"	"TUFADSGTJUOBEH-ZWNOBZJWSA-N"	"InChI=1S/C14H22N4/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12/h9-10,13H,2-8H2,1H3,(H2,15,16,17)/t10-,13-/m1/s1"	""	""	""
"7097"	"quinestrol"	""	"Synthetic organic"	"yes"	""	""	""	"178103675"	"9046"	""	""	"CHEMBL1201165"	""	""	""	""	"(8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol"	"quinestrol"	"Estrovis&reg;|W-3566"	"C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)OC1CCCC1"	"PWZUUYSISTUNDW-VAFBSOEGSA-N"	"InChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1"	""	""	""
"7289"	"quinethazone"	""	"Synthetic organic"	"yes"	""	""	""	"178103863"	"6307"	""	""	"CHEMBL1532"	""	""	""	""	"7-chloro-2-ethyl-4-hydroxy-1,2-dihydroquinazoline-6-sulfonamide"	"quinethazone"	"Hydromox&reg;"	"CCC1Nc2cc(Cl)c(cc2C(=N1)O)S(=O)(=O)N"	"AGMMTXLNIQSRCG-UHFFFAOYSA-N"	"InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)"	""	""	""
"2342"	"quinidine"	""	"Natural product"	"yes"	""	""	""	"135650872"	"441074"	""	""	"CHEMBL1294"	""	""	""	""	"(S)-[(4S,5R,7R)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol"	""	"Quinaglute&reg;|Quinidex&reg;|quinidine hydrochloride"	"C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O"	"LOUPRKONTZGTKE-LHHVKLHASA-N"	"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1"	""	"yes"	""
"2510"	"quinine"	""	"Natural product"	"yes"	""	""	""	"135652709"	"3034034"	""	""	"CHEMBL170"	""	""	""	""	"(R)-[(4S,5R,7S)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol"	""	"GNF-Pf-506|Qualaquin&reg;|Quinate&reg;|quinine bisulphate|quinine sulfate"	"C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O"	"LOUPRKONTZGTKE-WZBLMQSHSA-N"	"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1"	""	"yes"	""
"8599"	"quinoline 2"	""	"Synthetic organic"	""	""	""	""	"252166800"	"91801114"	""	""	""	""	""	""	""	"tert-butyl N-[(2S)-2-(2,5-difluorophenyl)-3-quinolin-3-ylpropyl]carbamate"	""	""	"O=C(OC(C)(C)C)NC[C@H](c1cc(F)ccc1F)Cc1cnc2c(c1)cccc2"	"IRFHMTUHTBSEBK-QGZVFWFLSA-N"	"InChI=1S/C23H24F2N2O2/c1-23(2,3)29-22(28)27-14-17(19-12-18(24)8-9-20(19)25)11-15-10-16-6-4-5-7-21(16)26-13-15/h4-10,12-13,17H,11,14H2,1-3H3,(H,27,28)/t17-/m1/s1"	""	""	""
"8978"	"quinostatin"	""	"Synthetic organic"	""	""	""	""	"310264758"	"6620134"	""	""	""	""	""	""	""	"1-[8-(4-ethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]piperidine-4-carboxamide"	""	""	"CCc1ccc(cc1)C(=O)c1cnc2c(c1N1CCC(CC1)C(=O)N)cc1c(c2)OCCO1"	"TZUJFIBUVNERIP-UHFFFAOYSA-N"	"InChI=1S/C26H27N3O4/c1-2-16-3-5-17(6-4-16)25(30)20-15-28-21-14-23-22(32-11-12-33-23)13-19(21)24(20)29-9-7-18(8-10-29)26(27)31/h3-6,13-15,18H,2,7-12H2,1H3,(H2,27,31)"	""	""	""
"2"	"quinpirole"	""	"Synthetic organic"	""	""	""	""	"135650874"	"54562"	""	""	"CHEMBL240773"	""	""	""	""	"(4aR,8aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrido[2,3-f]indazole"	"quinpirole"	"(-)-quinpirole"	"CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2"	"FTSUPYGMFAPCFZ-ZWNOBZJWSA-N"	"InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1"	""	""	""
"10798"	"quinupristin"	""	"Synthetic organic"	"yes"	""	""	""	"405560239"	"5388937"	""	""	"CHEMBL1200649"	""	""	""	""	"N-[(3S,6S,12R,15S,16R,19S,22S,25R)-25-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide"	"quinupristin"	"RP 57669|RP-57669|RP57669|Synercid&reg; (dalfopristin + quinupristin)"	"CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@H]3N(C1=O)CCC3)C)Cc1ccc(cc1)N(C)C)C[C@@H](CS[C@@H]1CN3CCC1CC3)C(=O)C2)c1ccccc1"	"WTHRRGMBUAHGNI-LCYNINFDSA-N"	"InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35+,37-,38+,39+,40+,43-,44+,45+/m1/s1"	""	""	"yes"
"173"	"quipazine"	""	"Synthetic organic"	""	""	""	""	"135650875"	"5011"	""	""	"CHEMBL18772"	""	""	""	""	"2-piperazin-1-ylquinoline"	"quipazine"	""	"N1CCN(CC1)c1ccc2c(n1)cccc2"	"XRXDAJYKGWNHTQ-UHFFFAOYSA-N"	"InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2"	""	""	""
"7503"	"quisinostat"	""	"Synthetic organic"	""	""	""	""	"187051805"	"11538455"	""	""	"CHEMBL2105763"	""	""	""	""	"N-hydroxy-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide"	"quisinostat"	"JNJ-26481585"	"ONC(=O)c1cnc(nc1)N1CCC(CC1)CNCc1cn(c2c1cccc2)C"	"PAWIYAYFNXQGAP-UHFFFAOYSA-N"	"InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)"	""	"yes"	""
"11774"	"quisovalimab"	""	"Antibody"	""	""	""	""	"458923809"	"0"	""	""	""	""	""	""	""	""	"quisovalimab"	"AEVI-002|AVTX-002|CERC-002|MDGN-002|SAR-252067|SAR252067"	""	""	""	""	""	""
"1372"	"quisqualate"	""	"Synthetic organic"	""	""	""	""	"135650876"	"40539"	""	""	"CHEMBL279956"	""	""	""	""	"(2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid"	""	"quisqualic acid"	"OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N"	"ASNFTDCKZKHJSW-REOHCLBHSA-N"	"InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1"	""	""	""
"5658"	"quizartinib"	""	"Synthetic organic"	"yes"	""	""	""	"178102286"	"24889392"	""	""	"CHEMBL576982"	""	""	""	""	"3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-{10-[2-(morpholin-4-yl)ethoxy]-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentaen-4-yl}phenyl)urea"	"quizartinib"	"AC 010220|AC 220|AC220|Vanflyta&reg;"	"O=C(Nc1noc(c1)C(C)(C)C)Nc1ccc(cc1)c1cn2c(n1)sc1c2ccc(c1)OCCN1CCOCC1"	"CVWXJKQAOSCOAB-UHFFFAOYSA-N"	"InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)"	""	""	""
"11419"	"Qu-SPX"	""	"Peptide"	""	""	""	""	"440816788"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"9568"	"QWF"	""	"Peptide"	""	""	""	""	"336446954"	"0"	""	""	""	""	""	""	""	""	""	"Boc-Gln-D-Trp(CH0)-Phe-OBzl|N<sup>&alpha;</sup>-[N<sup>&alpha;</sup>-[N<sup>&alpha;</sup>-(tert-butyloxycabonyl)-L-glutaminyl]-N<sup>1</sup>-formyl-D-tryptophyl-L-phenylalanine benzyl ester"	""	""	""	"yes"	""	""
"2405"	"QX-314"	""	"Synthetic organic"	""	""	""	""	"135650877"	"3925"	""	""	"CHEMBL1180496"	""	""	""	""	"[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-triethylazanium"	""	""	"CC[N+](CC(=O)Nc1c(C)cccc1C)(CC)CC"	"PYEBKOFMWAMBFV-UHFFFAOYSA-O"	"InChI=1S/C16H26N2O/c1-6-18(7-2,8-3)12-15(19)17-16-13(4)10-9-11-14(16)5/h9-11H,6-8,12H2,1-5H3/p+1"	""	""	""
"11380"	"R116010"	""	"Synthetic organic"	""	""	""	""	"440816749"	"44391783"	""	""	""	""	""	""	""	"N-[4-[(1S,2S)-2-(dimethylamino)-1-imidazol-1-ylpropyl]phenyl]-1,3-benzothiazol-2-amine"	""	"NIL6PST6V7"	"C[C@@H]([C@@H](n1cncc1)c1ccc(cc1)Nc1nc2c(s1)cccc2)N(C)C"	"WGVPSTQRQHGEEP-MGPUTAFESA-N"	"InChI=1S/C21H23N5S/c1-15(25(2)3)20(26-13-12-22-14-26)16-8-10-17(11-9-16)23-21-24-18-6-4-5-7-19(18)27-21/h4-15,20H,1-3H3,(H,23,24)/t15-,20+/m0/s1"	""	""	""
"5754"	"R116031"	""	"Synthetic organic"	""	""	""	""	"178102379"	"9917716"	""	""	""	""	""	""	""	"2-[4-[(2R,4S)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(phenylmethyl)piperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide"	""	"R 116031|R-116031"	"O=C(Nc1c(C)cccc1C)CN1CCN(CC1)[C@H]1CCN([C@@H](C1)Cc1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F"	"KHOXGPDKCIQOOR-XZWHSSHBSA-N"	"InChI=1S/C35H38F6N4O2/c1-23-7-6-8-24(2)32(23)42-31(46)22-43-13-15-44(16-14-43)29-11-12-45(30(21-29)17-25-9-4-3-5-10-25)33(47)26-18-27(34(36,37)38)20-28(19-26)35(39,40)41/h3-10,18-20,29-30H,11-17,21-22H2,1-2H3,(H,42,46)/t29-,30+/m0/s1"	""	""	""
"3520"	"R121919"	""	"Synthetic organic"	""	""	""	""	"53801047"	"9821250"	""	""	"CHEMBL309138"	""	""	""	""	"3-(6-dimethylamino-4-methylpyridin-3-yl)-2,5-dimethyl-N,N-dipropylpyrazolo[5,1-b]pyrimidin-7-amine"	""	"R 121919|R-121919"	"CCCN(c1cc(C)nc2n1nc(c2c1cnc(cc1C)N(C)C)C)CCC"	"ANNRUWYFVIGKHA-UHFFFAOYSA-N"	"InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3"	""	""	""
"1771"	"R-138727"	""	"Synthetic organic"	""	""	""	""	"135650878"	"10405534"	""	""	""	""	""	""	""	"(2Z)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetic acid"	""	"R 138727|R138727"	"OC(=O)/C=C\1/CN(CCC1S)C(c1ccccc1F)C(=O)C1CC1"	"ZWUQVNSJSJHFPS-XFXZXTDPSA-N"	"InChI=1S/C18H20FNO3S/c19-14-4-2-1-3-13(14)17(18(23)11-5-6-11)20-8-7-15(24)12(10-20)9-16(21)22/h1-4,9,11,15,17,24H,5-8,10H2,(H,21,22)/b12-9-"	""	""	""
"10751"	"(R)-16 [PMID: 32267688]"	""	"Synthetic organic"	""	""	""	""	"405560192"	"145704693"	""	""	""	""	""	""	""	"(2R)-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid"	""	""	"CCCCCC[C@H](C(=O)O)Sc1nc2c(s1)cc(cc2)NS(=O)(=O)c1ccc(cc1Cl)Cl"	"GTNKAJJMCCFDIU-QGZVFWFLSA-N"	"InChI=1S/C21H22Cl2N2O4S3/c1-2-3-4-5-6-17(20(26)27)30-21-24-16-9-8-14(12-18(16)31-21)25-32(28,29)19-10-7-13(22)11-15(19)23/h7-12,17,25H,2-6H2,1H3,(H,26,27)/t17-/m1/s1"	""	""	""
"6336"	"R214127"	""	"Synthetic organic"	""	""	""	""	"178102954"	"10470232"	""	""	"CHEMBL369459"	""	""	""	""	"1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-phenylethanone"	""	"R 214127|R-214127"	"O=C(c1ccc2c(c1)cc1c(n2)OCCC1)Cc1ccccc1"	"HXUSRWUBSYSWII-UHFFFAOYSA-N"	"InChI=1S/C20H17NO2/c22-19(11-14-5-2-1-3-6-14)15-8-9-18-17(12-15)13-16-7-4-10-23-20(16)21-18/h1-3,5-6,8-9,12-13H,4,7,10-11H2"	""	""	""
"10049"	"R283"	""	"Synthetic organic"	""	""	""	""	"375973237"	"123415149"	""	""	""	""	""	""	""	"3-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylpropanal"	""	"1,3-Dimethyl-2[(oxopropyl)thio]imidazolium"	"O=CCCSc1n(C)cc[n+]1C"	"NAQRMIYTJDQSRI-UHFFFAOYSA-N"	"InChI=1S/C8H13N2OS/c1-9-4-5-10(2)8(9)12-7-3-6-11/h4-6H,3,7H2,1-2H3/q+1"	"yes"	""	""
"10590"	"(R)-2h [PMID:19625189]"	""	"Synthetic organic"	""	""	""	""	"404859037"	"135948915"	""	""	"CHEMBL565122"	""	""	""	""	"(R)-2-(2-hydroxyphenyl)-3-(1-phenylpropan-2-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4(3H)-one"	""	"Pfizer compound 1"	"Oc1ccccc1c1nc2ccnc(c2c(=O)n1[C@@H](Cc1ccccc1)C)C(F)(F)F"	"KLURSWGCQQKDCT-CQSZACIVSA-N"	"InChI=1S/C23H18F3N3O2/c1-14(13-15-7-3-2-4-8-15)29-21(16-9-5-6-10-18(16)30)28-17-11-12-27-20(23(24,25)26)19(17)22(29)31/h2-12,14,30H,13H2,1H3/t14-/m1/s1"	""	""	""
"14150"	"R2R01"	""	"Peptide"	""	""	""	""	"518520777"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2118"	"R396"	""	"Peptide"	""	""	""	""	"135652428"	"164286"	""	""	""	""	""	""	""	"(3S)-3-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid"	""	"R 396|R-396"	"CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)CCC(=O)N)CC(=O)O)NC(=O)C)C"	"VTQMNICJVWMKEV-QKUYTOGTSA-N"	"InChI=1S/C39H51N9O10/c1-21(2)15-28(44-22(3)49)37(56)48-31(18-34(52)53)39(58)45-27(13-14-32(40)50)36(55)47-30(17-24-19-42-26-12-8-7-11-25(24)26)38(57)46-29(35(54)43-20-33(41)51)16-23-9-5-4-6-10-23/h4-12,19,21,27-31,42H,13-18,20H2,1-3H3,(H2,40,50)(H2,41,51)(H,43,54)(H,44,49)(H,45,58)(H,46,57)(H,47,55)(H,48,56)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1"	""	""	""
"11461"	"R3 B1-22R"	""	"Peptide"	""	""	""	""	"440816830"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3907"	"R3(B&Delta;23-27)R/I5 chimeric peptide"	""	"Peptide"	""	""	""	""	"178100740"	"0"	""	""	""	"3909"	"R3(B&Delta;23-27)R/I5 chimeric peptide (B chain)"	"3909:no_UniProt_ID"	"3909:no_ENS_ID"	""	""	""	""	""	""	""	""	""
"3909"	"R3(B&Delta;23-27)R/I5 chimeric peptide (B chain)"	""	"Peptide"	""	""	""	""	"178100742"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"1998"	"R3/I5"	""	"Peptide"	""	""	""	""	"135652176"	"0"	""	""	""	""	""	""	""	""	""	"H3 relaxin B-chain/INSL5 A-chain chimera|H3 relaxin/INSL5 chimera|H3-B/INSL5 A chimera"	""	""	""	""	""	""
"11911"	"R3/I5- SmBiT"	""	"Peptide"	""	""	"yes"	""	"461663466"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2105"	"R-486"	""	"Peptide"	""	""	""	""	"135652429"	"0"	""	""	""	""	""	""	""	""	""	"[Trp<sup>7</sup>,&beta;-Ala<sup>8</sup>]neurokinin A(4-10)|MEN 10295|R 486|R486"	""	""	""	""	""	""
"5707"	"R547"	""	"Synthetic organic"	""	""	""	""	"178102334"	"6918852"	""	""	"CHEMBL384304"	""	""	""	""	"5-[(2,3-difluoro-6-methoxyphenyl)carbonyl]-2-N-(1-methanesulfonylpiperidin-4-yl)pyrimidine-2,4-diamine"	""	"R-547|Ro 4584820"	"COc1ccc(c(c1C(=O)c1cnc(nc1N)NC1CCN(CC1)S(=O)(=O)C)F)F"	"JRNJNYBQQYBCLE-UHFFFAOYSA-N"	"InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)"	""	""	""
"7520"	"R55"	""	"Synthetic organic"	""	""	""	""	"315661091"	"414147"	""	""	""	""	""	""	""	"[5-(carbamimidoylsulfanylmethyl)thiophen-2-yl]methylsulfanylmethanimidamide"	""	"compound 1 [PMID: 24747528]|TPT-260|TPT260"	"NC(=N)SCc1ccc(s1)CSC(=N)N"	"XGDUNTSTRCLVLN-UHFFFAOYSA-N"	"InChI=1S/C8H12N4S3/c9-7(10)13-3-5-1-2-6(15-5)4-14-8(11)12/h1-2H,3-4H2,(H3,9,10)(H3,11,12)"	""	""	""
"3047"	"(R)-5-diphosphomevalonate"	""	"Metabolite"	""	""	""	""	"135651554"	"439418"	""	""	"CHEMBL235881"	""	""	""	""	"(3R)-3-hydroxy-5-(hydroxy-phosphonooxyphosphoryl)oxy-3-methylpentanoic acid"	""	"mevalonate 5-diphosphate"	"OC(=O)C[C@@](CCOP(=O)(OP(=O)(O)O)O)(O)C"	"SIGQQUBJQXSAMW-ZCFIWIBFSA-N"	"InChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/t6-/m1/s1"	""	""	""
"3910"	"R5-HIV-1 gp120"	""	"Peptide"	""	""	""	""	"178100743"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3046"	"(R)-5-phosphomevalonate"	""	"Metabolite"	""	""	""	""	"135651555"	"439400"	""	""	""	""	""	""	""	"(3R)-3-hydroxy-3-methyl-5-phosphonooxypentanoic acid"	""	"mevalonate-5-phosphate|mevalonate-5P|mevalonate-P"	"OC(=O)C[C@@](CCOP(=O)(O)O)(O)C"	"OKZYCXHTTZZYSK-ZCFIWIBFSA-N"	"InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/t6-/m1/s1"	""	""	""
"13553"	"(R)-70 [PMID: 36171289]"	""	"Synthetic organic"	""	""	""	""	"500839963"	"170328782"	""	""	""	""	""	""	""	"3-[(3R)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine"	""	""	"C[C@H]1CN(C)CC(=C1)C2=CNC3=NC=CC=C23"	"BVUHRQDBEWGRFX-SNVBAGLBSA-N"	"InChI=1S/C14H17N3/c1-10-6-11(9-17(2)8-10)13-7-16-14-12(13)4-3-5-15-14/h3-7,10H,8-9H2,1-2H3,(H,15,16)/t10-/m1/s1"	""	""	""
"661"	"R-715"	""	"Peptide"	""	""	""	""	"135652430"	"0"	""	""	""	""	""	""	""	""	""	"[Ac-Lys-[d-&beta;Nal<sup>7</sup>,Ile<sup>8</sup>]des-Arg<sup>9</sup>]bradykinin|R 715|R715"	""	""	""	""	""	""
"3906"	"R-954"	""	"Peptide"	""	""	""	""	"178100739"	"101865250"	""	""	""	""	""	""	""	"(N-(N-acetyl-L-ornithyl-L-arginyl)-(2S,3aS,7aS)-octahydroindole-2-carbonyl)-L-prolyl-glycyl-alpha-methyl-L-phenylalanyl-L-seryl-3-(2-naphthyl)-D-alanyl-L-isoleucine"	""	"AcOrn[Oic(2),(&alpha;Me)Phe(5),d&beta;Nal(7),Ile(8)]desArg(9)-bradykinin|R954"	"NCCC[C@@H](C(=O)N[C@H](C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)Cc1ccc2c(c1)cccc2)CO)(Cc1ccccc1)C)CCCN=C(N)N)NC(=O)C"	"JDPPVMXSBUBLMX-IRXBPQMASA-N"	"InChI=1S/C61H87N13O12/c1-5-36(2)51(58(84)85)71-53(79)45(31-39-25-26-40-18-9-10-19-41(40)30-39)69-54(80)46(35-75)70-59(86)61(4,33-38-16-7-6-8-17-38)72-50(77)34-66-55(81)48-24-15-29-73(48)57(83)49-32-42-20-11-12-23-47(42)74(49)56(82)44(22-14-28-65-60(63)64)68-52(78)43(21-13-27-62)67-37(3)76/h6-10,16-19,25-26,30,36,42-49,51,75H,5,11-15,20-24,27-29,31-35,62H2,1-4H3,(H,66,81)(H,67,76)(H,68,78)(H,69,80)(H,70,86)(H,71,79)(H,72,77)(H,84,85)(H4,63,64,65)/t36-,42-,43-,44-,45+,46-,47-,48-,49-,51-,61-/m0/s1"	""	""	""
"9317"	"RA-2"	""	"Synthetic organic"	""	""	""	""	"318164836"	"122173996"	""	""	""	""	""	""	""	"{3-[(3-fluoro-4-hydroxybenzoyloxy)methyl]phenyl}methyl 3-fluoro-4-hydroxybenzoate"	""	""	"O=C(c1ccc(c(c1)F)O)OCc1cccc(c1)COC(=O)c1ccc(c(c1)F)O"	"XOZKRECPKXTNAK-UHFFFAOYSA-N"	"InChI=1S/C22H16F2O6/c23-17-9-15(4-6-19(17)25)21(27)29-11-13-2-1-3-14(8-13)12-30-22(28)16-5-7-20(26)18(24)10-16/h1-10,25-26H,11-12H2"	""	""	""
"10487"	"RA839"	""	"Synthetic organic"	""	""	""	""	"385612246"	"91971266"	""	""	"CHEMBL3899754"	""	""	""	""	"(3S)-1-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid"	""	"compound 7 [PMID: 31411465]|RA-839"	"OC(=O)[C@H]1CCN(C1)c1ccc(c2c1cccc2)NS(=O)(=O)c1c(C)c(C)cc(c1C)C"	"BVYWIQHJXAEJOD-IBGZPJMESA-N"	"InChI=1S/C25H28N2O4S/c1-15-13-16(2)18(4)24(17(15)3)32(30,31)26-22-9-10-23(21-8-6-5-7-20(21)22)27-12-11-19(14-27)25(28)29/h5-10,13,19,26H,11-12,14H2,1-4H3,(H,28,29)/t19-/m0/s1"	"yes"	""	""
"7290"	"rabeprazole"	""	"Synthetic organic"	"yes"	""	""	""	"178103864"	"5029"	""	""	"CHEMBL1219"	""	""	""	""	"2-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanesulfinyl}-1H-1,3-benzodiazole"	"rabeprazole"	"AcipHex&reg;|E-3810|Pariet&reg;"	"COCCCOc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cccc2"	"YREYEVIYCVEVJK-UHFFFAOYSA-N"	"InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)"	""	""	""
"9856"	"rabeximod"	""	"Synthetic organic"	""	""	""	""	"363894150"	"56841552"	""	""	""	""	""	""	""	"2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)-N-[2-(dimethylamino)ethyl]acetamide"	"rabeximod"	"Rob-803|Rob803"	"CN(CCNC(=O)Cn1c2ccc(cc2c2c1nc1cc(C)c(cc1n2)C)Cl)C"	"PDNNUMNEXITLCZ-UHFFFAOYSA-N"	"InChI=1S/C22H24ClN5O/c1-13-9-17-18(10-14(13)2)26-22-21(25-17)16-11-15(23)5-6-19(16)28(22)12-20(29)24-7-8-27(3)4/h5-6,9-11H,7-8,12H2,1-4H3,(H,24,29)"	"yes"	""	""
"7960"	"rabusertib"	""	"Synthetic organic"	""	""	""	""	"249565643"	"11955855"	""	""	"CHEMBL3039517"	""	""	""	""	"N-(5-bromo-4-methyl-2-{[(2S)-morpholin-2-yl]methoxy}phenyl)-N'-(5-methylpyrazin-2-yl)urea"	"rabusertib"	"LY-2603618|LY2603618"	"O=C(Nc1cc(Br)c(cc1OC[C@@H]1CNCCO1)C)Nc1cnc(cn1)C"	"SYYBDNPGDKKJDU-ZDUSSCGKSA-N"	"InChI=1S/C18H22BrN5O3/c1-11-5-16(27-10-13-8-20-3-4-26-13)15(6-14(11)19)23-18(25)24-17-9-21-12(2)7-22-17/h5-7,9,13,20H,3-4,8,10H2,1-2H3,(H2,22,23,24,25)/t13-/m0/s1"	""	""	""
"5250"	"Rac1"	"Human"	"Peptide"	""	""	""	""	"178101934"	"0"	"P63000"	"ENSG00000136238"	""	""	""	""	""	""	""	"cell migration-inducing gene 5 protein|ras-like protein TC25"	""	""	""	""	""	""
"5251"	"Rac2"	"Human"	"Peptide"	""	""	""	""	"178101935"	"0"	"P15153"	"ENSG00000128340"	""	""	""	""	""	""	""	"p21-Rac2"	""	""	""	""	""	""
"5252"	"Rac3"	"Human"	"Peptide"	""	""	""	""	"178101936"	"0"	"P60763"	"ENSG00000169750"	""	""	""	""	""	""	""	"p21-Rac3|ras-related C3 botulinum toxin substrate 3"	""	""	""	""	""	""
"11654"	"racecadotril"	""	"Synthetic organic"	"yes"	""	""	""	"442878680"	"107751"	""	""	""	""	""	""	""	"benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate"	"racecadotril"	"(+/-)-acetorphan|acetorphan|Hidrasec&reg;"	"CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1"	"ODUOJXZPIYUATO-UHFFFAOYSA-N"	"InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)"	""	""	""
"94"	"raclopride"	""	"Synthetic organic"	""	""	""	""	"135650880"	"3033769"	""	""	"CHEMBL8809"	""	""	""	""	"3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide"	"raclopride"	"(-)-raclopride|<i>S</i>-(-)-raclopride|<i>S</i>-raclopride"	"CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(c1OC)Cl"	"WAOQONBSWFLFPE-VIFPVBQESA-N"	"InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1"	""	""	""
"7995"	"racotumomab"	""	"Antibody"	"yes"	""	""	""	"249565675"	"0"	""	""	""	""	""	""	""	""	"racotumomab"	"1E10|Vaxira&reg;"	""	""	""	""	""	""
"10455"	"ractopamine"	""	"Synthetic organic"	""	""	""	""	"385612215"	"56052"	""	""	"CHEMBL509336"	""	""	""	""	"4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol"	"ractopamine"	"EL-737|Optaflexx&reg;|Paylean&reg;|ractopamin|Tomax&reg;"	"CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O"	"YJQZYXCXBBCEAQ-UHFFFAOYSA-N"	"InChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3"	""	""	""
"10849"	"radezolid"	""	"Synthetic organic"	""	""	""	""	"405560290"	"11224409"	""	""	"CHEMBL455461"	""	""	""	""	"N-[[(5S)-3-[3-fluoro-4-[4-[(2H-triazol-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide"	"radezolid"	"Rx-01_667|RX-103|RX-1741|RX103|RX1741"	"CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)c1ccc(cc1)CNCc1n[nH]nc1"	"BTTNOGHPGJANSW-IBGZPJMESA-N"	"InChI=1S/C22H23FN6O3/c1-14(30)25-12-19-13-29(22(31)32-19)18-6-7-20(21(23)8-18)16-4-2-15(3-5-16)9-24-10-17-11-26-28-27-17/h2-8,11,19,24H,9-10,12-13H2,1H3,(H,25,30)(H,26,27,28)/t19-/m0/s1"	""	""	"yes"
"11316"	"Radioprotectin-1"	""	"Synthetic organic"	""	""	""	""	"434321751"	"77461257"	""	""	"CHEMBL3322514"	""	""	""	""	"5-chloro-2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butylsulfamoyl]benzoic acid"	""	"RP-1"	"Clc1ccc(c(c1)C(=O)O)S(=O)(=O)NCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3"	"OVJUYQCJIFWMBI-UHFFFAOYSA-N"	"InChI=1S/C23H19ClN2O6S/c24-15-9-10-19(18(13-15)23(29)30)33(31,32)25-11-1-2-12-26-21(27)16-7-3-5-14-6-4-8-17(20(14)16)22(26)28/h3-10,13,25H,1-2,11-12H2,(H,29,30)"	""	""	""
"7814"	"radotinib"	""	"Synthetic organic"	"yes"	""	""	""	"223366145"	"16063245"	""	""	""	""	""	""	""	"4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzamide"	"radotinib"	"IY-5511|IY5511|IY5511HCl|KB-146009|Supect&reg;"	"Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2nccnc2)C)cc(c1)C(F)(F)F"	"DUPWHXBITIZIKZ-UHFFFAOYSA-N"	"InChI=1S/C27H21F3N8O/c1-16-3-4-18(9-23(16)37-26-33-6-5-22(36-26)24-13-31-7-8-32-24)25(39)35-20-10-19(27(28,29)30)11-21(12-20)38-14-17(2)34-15-38/h3-15H,1-2H3,(H,35,39)(H,33,36,37)"	""	""	""
"10271"	"RAG8"	""	"Peptide"	""	""	""	""	"381744952"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"2664"	"ragaglitazar"	""	"Synthetic organic"	""	""	""	""	"135650882"	"447458"	""	""	"CHEMBL24038"	""	""	""	""	"(2S)-2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid"	"ragaglitazar"	""	"CCO[C@H](C(=O)O)Cc1ccc(cc1)OCCN1c2ccccc2Oc2c1cccc2"	"WMUIIGVAWPWQAW-DEOSSOPVSA-N"	"InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1"	""	""	""
"7959"	"ralimetinib"	""	"Synthetic organic"	""	""	""	""	"249565642"	"11539025"	""	""	"CHEMBL2364626"	""	""	""	""	"5-[2-tert-butyl-5-(4-fluorophenyl)-3H-imidazol-4-yl]-3-(2,2-dimethylpropyl)imidazo[5,4-b]pyridin-2-amine"	"ralimetinib"	"LY-2228820|LY-2228820 free base|LY2228820"	"Fc1ccc(cc1)c1nc([nH]c1c1ccc2c(n1)n(CC(C)(C)C)c(n2)N)C(C)(C)C"	"XPPBBJCBDOEXDN-UHFFFAOYSA-N"	"InChI=1S/C24H29FN6/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30)"	""	""	""
"14138"	"ralinepag"	""	"Synthetic organic"	""	""	""	""	"518520765"	"44219292"	""	""	"CHEMBL3919269"	""	""	""	""	"2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid"	"ralinepag"	"APD-811|APD811|compound 5c [PMID: 28072531]"	"C1CC(CCC1COCC(=O)O)COC(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)Cl"	"NPDKXVKJRHPDQT-UHFFFAOYSA-N"	"InChI=1S/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)"	""	""	""
"12190"	"ralmitaront"	""	"Synthetic organic"	""	""	""	""	"472319312"	"130429734"	""	""	"CHEMBL4594376"	""	""	""	""	"5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide"	"ralmitaront"	"Example 1 [WO2017157873A1]|RG-7906|RG7906|RO-6889450|RO6889450"	"CCc1c(c(n[nH]1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1)C"	"XHHXGKRFUPEPFM-OAHLLOKOSA-N"	"InChI=1S/C17H22N4O2/c1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15/h4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1"	""	""	""
"13320"	"ralometostat"	""	"Synthetic organic"	""	""	""	""	"496703290"	"164753116"	""	""	""	""	""	""	""	"N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide"	"ralometostat"	"TNG-908|TNG908"	"NC1=C(C=C(C=N1)NC(C(=O)N2[C@H](CC[C@@H](C2)C)C=3C=CC4=C(N=CS4)C3)=O)C"	"NXXBDYHMHHINFC-YVEFUNNKSA-N"	"InChI=1S/C21H23N5O2S/c1-12-3-5-17(14-4-6-18-16(8-14)24-11-29-18)26(10-12)21(28)20(27)25-15-7-13(2)19(22)23-9-15/h4,6-9,11-12,17H,3,5,10H2,1-2H3,(H2,22,23)(H,25,27)/t12-,17+/m0/s1"	""	""	""
"2820"	"raloxifene"	""	"Synthetic organic"	"yes"	""	""	""	"135650883"	"5035"	""	""	"CHEMBL81"	""	""	""	""	"[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone"	"raloxifene"	"Evista&reg;|LY-156758|Optruma&reg;|raloxifene hydrochloride"	"Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O"	"GZUITABIAKMVPG-UHFFFAOYSA-N"	"InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2"	""	""	""
"11571"	"raltegravir"	""	"Synthetic organic"	"yes"	""	""	""	"441604943"	"54671008"	""	""	"CHEMBL254316"	""	""	""	""	""	"raltegravir"	"Isentress&reg;|MK-0518|MK0518"	"Fc1ccc(cc1)CNC(=O)c1nc(n(c(=O)c1O)C)C(NC(=O)c1nnc(o1)C)(C)C"	"CZFFBEXEKNGXKS-UHFFFAOYSA-N"	"InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)"	""	""	""
"7403"	"raltitrexed"	""	"Synthetic organic"	"yes"	""	""	""	"178103975"	"135400182"	""	""	"CHEMBL225071"	""	""	""	""	"(2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid"	"raltitrexed"	"ICI-D-1694|Tomudex&reg;|ZD1694"	"OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(s1)N(Cc1ccc2c(c1)c(=O)nc([nH]2)C)C"	"IVTVGDXNLFLDRM-HNNXBMFYSA-N"	"InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1"	""	""	""
"14519"	"raludotatug deruxtecan"	""	"Antibody"	""	""	""	""	"528429840"	"0"	""	""	""	""	""	""	""	""	"raludotatug deruxtecan"	"DS-6000|DS-6000A|R-DXd"	""	""	""	""	""	""
"1911"	"ramatroban"	""	"Synthetic organic"	""	""	""	""	"135650884"	"123879"	""	""	"CHEMBL361812"	""	""	""	""	"3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid"	"ramatroban"	"BAY U3405|BAY-U-3405|baynas|EN-137774"	"OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F"	"LDXDSHIEDAPSSA-OAHLLOKOSA-N"	"InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1"	""	""	""
"1356"	"ramelteon"	""	"Synthetic organic"	"yes"	""	""	""	"135651228"	"208902"	""	""	"CHEMBL1218"	""	""	""	""	"N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzoxol-8-yl]ethyl]propanamide"	"ramelteon"	"Rozerem&reg;|TAK-375|TAK375"	"CCC(=O)NCC[C@@H]1CCc2c1c1CCOc1cc2"	"YLXDSYKOBKBWJQ-LBPRGKRZSA-N"	"InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1"	""	""	""
"6339"	"ramipril"	""	"Synthetic organic"	"yes"	""	""	""	"178102957"	"5362129"	""	""	"CHEMBL1168"	""	""	""	""	"(2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[d]pyrrole-2-carboxylic acid"	"ramipril"	"Altace&reg;|HOE-498|Tritace&reg;"	"CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)C)CCc1ccccc1"	"HDACQVRGBOVJII-JBDAPHQKSA-N"	"InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1"	""	""	""
"6344"	"ramiprilat"	""	"Synthetic organic"	"yes"	""	""	""	"178102962"	"5464096"	""	""	"CHEMBL1201365"	""	""	""	""	"(2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[d]pyrrole-2-carboxylic acid"	"ramiprilat"	""	"OC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)C)CCc1ccccc1"	"KEDYTOTWMPBSLG-HILJTLORSA-N"	"InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1"	""	""	""
"14348"	"ramoplanin A2"	""	"Peptide"	""	""	""	""	"523352140"	"16129628"	""	""	""	""	""	""	""	""	"ramoplanin"	"A-16686A2|MDL 62,198"	"C[C@@H]1C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CC(C)C)C2=CC=C(C=C2)O)[C@@H](C)O)C3=CC=C(C=C3)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CCCN)CC6=CC=CC=C6)[C@H](C)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)[C@@H](C)O)CCCN)C9=CC=C(C=C9)O)NC(=O)[C@H](CC(=O)N)NC(=O)/C=C\C=C\CC(C)C)C(=O)N)C%10=CC(=C(C=C%10)O)Cl"	"KGZHFKDNSAEOJX-WIFQYKSHSA-N"	"InChI=1S/C119H154ClN21O40/c1-54(2)17-11-9-14-22-82(153)127-77(50-81(123)152)107(166)141-93-99(101(124)160)180-117(176)92(66-33-44-78(151)72(120)49-66)140-102(161)56(5)126-105(164)75(47-55(3)4)128-83(154)51-125-108(167)87(61-23-34-67(147)35-24-61)136-111(170)86(59(8)146)134-113(172)89(65-31-42-71(43-32-65)177-119-100(97(158)95(156)80(53-143)179-119)181-118-98(159)96(157)94(155)79(52-142)178-118)135-104(163)73(20-15-45-121)129-106(165)76(48-60-18-12-10-13-19-60)131-109(168)84(57(6)144)133-114(173)90(63-27-38-69(149)39-28-63)138-115(174)91(64-29-40-70(150)41-30-64)137-110(169)85(58(7)145)132-103(162)74(21-16-46-122)130-112(171)88(139-116(93)175)62-25-36-68(148)37-26-62/h9-14,18-19,22-44,49,54-59,73-77,79-80,84-100,118-119,142-151,155-159H,15-17,20-21,45-48,50-53,121-122H2,1-8H3,(H2,123,152)(H2,124,160)(H,125,167)(H,126,164)(H,127,153)(H,128,154)(H,129,165)(H,130,171)(H,131,168)(H,132,162)(H,133,173)(H,134,172)(H,135,163)(H,136,170)(H,137,169)(H,138,174)(H,139,175)(H,140,161)(H,141,166)/b11-9+,22-14-/t56-,57+,58-,59-,73-,74-,75+,76+,77+,79-,80-,84+,85-,86-,87+,88-,89+,90-,91+,92+,93+,94-,95-,96+,97+,98+,99+,100+,118-,119+/m1/s1"	""	""	"yes"
"2301"	"ramosetron"	""	"Synthetic organic"	""	""	""	""	"135650885"	"108000"	""	""	"CHEMBL1643895"	""	""	""	""	"(1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone"	"ramosetron"	""	"O=C(c1cn(c2c1cccc2)C)[C@@H]1CCc2c(C1)[nH]cn2"	"NTHPAPBPFQJABD-LLVKDONJSA-N"	"InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1"	""	""	""
"2146"	"R(-)amphetamine"	""	"Synthetic organic"	""	""	""	""	"135650886"	"32893"	""	""	"CHEMBL19393"	""	""	""	""	"(2R)-1-phenylpropan-2-amine"	"levamfetamine"	"l-amphetamine"	"C[C@H](Cc1ccccc1)N"	"KWTSXDURSIMDCE-MRVPVSSYSA-N"	"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1"	""	""	""
"7390"	"ramucirumab"	""	"Antibody"	"yes"	""	""	""	"178103962"	"0"	""	""	""	""	""	""	""	""	"ramucirumab"	"Cyramza&reg;|IMC-1121B"	""	""	""	""	""	""
"618"	"ranatensin"	""	"Peptide"	""	""	""	""	"135652431"	"22146595"	""	""	""	""	""	""	""	"N-[1-[[1-[[1-[[2-[[1-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[1-[3-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoyl]pyrrolidine-2-carbonyl]amino]pentanediamide"	""	""	"CSCCC(C(=O)N)NC(=O)C(NC(=O)C(Cc1[nH]cnc1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C1CCC(=O)N1)CCC(=O)N)C)Cc1ccccc1"	"AUOCWSNQHWTPIJ-UHFFFAOYSA-N"	"InChI=1S/C61H84N16O13S/c1-32(2)50(60(89)66-30-49(80)70-45(27-37-29-64-31-67-37)58(87)73-43(25-35-13-8-7-9-14-35)57(86)71-40(52(63)81)22-24-91-6)75-53(82)34(5)68-56(85)44(26-36-28-65-39-16-11-10-15-38(36)39)74-54(83)42(18-20-47(62)78)72-59(88)46-17-12-23-77(46)61(90)51(33(3)4)76-55(84)41-19-21-48(79)69-41/h7-11,13-16,28-29,31-34,40-46,50-51,65H,12,17-27,30H2,1-6H3,(H2,62,78)(H2,63,81)(H,64,67)(H,66,89)(H,68,85)(H,69,79)(H,70,80)(H,71,86)(H,72,88)(H,73,87)(H,74,83)(H,75,82)(H,76,84)"	""	""	""
"11007"	"ranbezolid"	""	"Synthetic organic"	""	""	""	""	"405560448"	"496993"	""	""	"CHEMBL251384"	""	""	""	""	"N-[[(5S)-3-[3-fluoro-4-[4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide"	""	"RBx 7644"	"CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCN(CC1)Cc1ccc(o1)[N+](=O)[O-]"	"PWHNTOQANLCTHN-KRWDZBQOSA-N"	"InChI=1S/C21H24FN5O6/c1-14(28)23-11-17-13-26(21(29)33-17)15-2-4-19(18(22)10-15)25-8-6-24(7-9-25)12-16-3-5-20(32-16)27(30)31/h2-5,10,17H,6-9,11-13H2,1H3,(H,23,28)/t17-/m0/s1"	""	""	"yes"
"11015"	"rancinamycin IA"	""	"Natural product"	""	""	""	""	"405560456"	"71438887"	""	""	""	""	""	""	""	"(2-formyl-4,5,6-trihydroxycyclohex-2-en-1-yl) 2-methylpropanoate"	""	"Rancomycin 1|U-22583|U22583"	"O=CC1=CC(O)C(C(C1OC(=O)C(C)C)O)O"	"TWOYHFIJNHPEEO-UHFFFAOYSA-N"	"InChI=1S/C11H16O6/c1-5(2)11(16)17-10-6(4-12)3-7(13)8(14)9(10)15/h3-5,7-10,13-15H,1-2H3"	""	""	"yes"
"6779"	"ranibizumab"	""	"Antibody"	"yes"	""	""	""	"178103385"	"0"	""	""	""	""	""	""	""	""	"ranibizumab"	"Fab-12 variant Y0317|Lucentis&reg;|muMAb VEGF A.4.6.1|rhuFab V2"	""	""	""	""	""	""
"10850"	"ranimycin"	""	"Synthetic organic"	""	""	""	""	"405560291"	"76956772"	""	""	""	""	""	""	""	"[(1R,4S,5S,6R)-2-formyl-4,5,6-trihydroxycyclohex-2-en-1-yl] 3-methylbutanoate"	"ranimycin"	"Rancomycin 2|U-25,873|U-25873"	"O=CC1=C[C@H](O)[C@@H]([C@H]([C@@H]1OC(=O)CC(C)C)O)O"	"HEWICEWYFOOYNG-OHBODLIOSA-N"	"InChI=1S/C12H18O6/c1-6(2)3-9(15)18-12-7(5-13)4-8(14)10(16)11(12)17/h4-6,8,10-12,14,16-17H,3H2,1-2H3/t8-,10-,11+,12+/m0/s1"	""	""	"yes"
"1234"	"ranitidine"	""	"Synthetic organic"	"yes"	"yes"	""	""	"135650887"	"3001055"	""	""	"CHEMBL512"	""	""	""	""	"N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethene-1,1-diamine"	"ranitidine"	"AH-19065|Gavilast&reg;|GR-122311X|Zantac&reg;"	"CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C"	"VMXUWOKSQNHOCA-UKTHLTGXSA-N"	"InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+"	""	""	""
"5066"	"RANK ligand"	"Human"	"Peptide"	""	""	""	""	"178101759"	"0"	"O14788"	"ENSG00000120659"	""	""	""	""	""	""	""	"<u><b>r</b></u>eceptor <u><b>a</b></u>ctivator of <u><b>n</b></u>uclear factor <u><b>&kappa;</b></u>B <u><b>l</b></u>igand|osteoclast differentiation factor (ODF)|osteoprotegerin ligand|TNFSF11"	""	""	""	"yes"	""	""
"7291"	"ranolazine"	""	"Synthetic organic"	"yes"	""	""	""	"178103865"	"56959"	""	""	"CHEMBL1404"	""	""	""	""	"N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}ethanimidic acid"	"ranolazine"	"CVT-303|Ranexa&reg;|RS-43285|RS-43285-003"	"COc1ccccc1OCC(CN1CCN(CC1)CC(=Nc1c(C)cccc1C)O)O"	"XKLMZUWKNUAPSZ-UHFFFAOYSA-N"	"InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)"	""	""	""
"9212"	"RapaLink-1"	""	"Synthetic organic"	""	""	""	""	"315661288"	"121231411"	""	""	""	""	""	""	""	""	""	"40-O-(2-((1-(32-(4-amino-3-(2-aminobenzo[d]oxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-27-oxo-3,6,9,12,15,18,21,24-octaoxa-28-azadotriacontyl)-1H-1,2,3-triazol-4-yl)methoxy)ethyl)-rapamycin"	"CO[C@@H]1C[C@H](CC[C@@H]1OCCOCc1nnn(c1)CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn1nc(c2c1ncnc2N)c1ccc2c(c1)nc(o2)N)C[C@H]([C@@H]1CC(=O)[C@H](C)/C=C(\C)/[C@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(/[C@@H](C[C@H]2O[C@](C(=O)C(=O)N3[C@@H](C(=O)O1)CCCC3)(O)[C@H](C)CC2)OC)\C)C"	"QDOGZMBPRITPMZ-LFEDRMHTSA-N"	"InChI=1S/C91H138N12O24/c1-60-18-12-11-13-19-61(2)76(112-8)55-70-24-21-66(7)91(111,127-70)85(108)88(109)102-29-16-14-20-72(102)89(110)125-77(56-73(104)62(3)51-65(6)83(107)84(114-10)82(106)64(5)50-60)63(4)52-67-22-25-75(78(53-67)113-9)124-49-48-123-58-69-57-101(100-98-69)31-33-116-35-37-118-39-41-120-43-45-122-47-46-121-44-42-119-40-38-117-36-34-115-32-27-79(105)94-28-15-17-30-103-87-80(86(92)95-59-96-87)81(99-103)68-23-26-74-71(54-68)97-90(93)126-74/h11-13,18-19,23,26,51,54,57,59-60,62-64,66-67,70,72,75-78,83-84,107,111H,14-17,20-22,24-25,27-50,52-53,55-56,58H2,1-10H3,(H2,93,97)(H,94,105)(H2,92,95,96)/b13-11+,18-12+,61-19+,65-51+/t60-,62-,63-,64-,66-,67-,70+,72-,75+,76-,77+,78-,83+,84+,91-/m1/s1"	""	""	""
"12135"	"(R)-AS-1"	""	"Synthetic organic"	""	""	""	""	"472319257"	"155213164"	""	""	""	""	""	""	""	"(2R)-N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide"	""	"(R)-7"	"O=C(NCc1ccccc1)[C@@H](C)N1C(=O)CCC1=O"	"XVSYJYYNUSOPAQ-SNVBAGLBSA-N"	"InChI=1S/C14H16N2O3/c1-10(16-12(17)7-8-13(16)18)14(19)15-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,19)/t10-/m1/s1"	""	""	""
"6641"	"rasagiline"	""	"Synthetic organic"	"yes"	""	""	""	"178103254"	"3052776"	""	""	"CHEMBL887"	""	""	""	""	"(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine"	"rasagiline"	"Azilect&reg;|TVP-1012"	"C#CCN[C@@H]1CCc2c1cccc2"	"RUOKEQAAGRXIBM-GFCCVEGCSA-N"	"InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1"	""	""	""
"7467"	"rasburicase"	""	"Peptide"	"yes"	""	""	""	"187051770"	"0"	""	""	"CHEMBL1201594"	""	""	""	""	""	"rasburicase"	"Elitek&reg;|Fasturtec&reg;|SR-29142"	""	""	""	""	""	""
"10066"	"RasGRP activator 1"	""	"Synthetic organic"	""	""	""	""	"375973254"	"25053598"	""	""	"CHEMBL519741"	""	""	""	""	"[(4E)-2-(hydroxymethyl)-4-[(1-methylindol-3-yl)methylidene]-5-oxooxolan-2-yl]methyl 2-propylpentanoate"	""	"compound 1 [PMID: 24794745]"	"CCCC(C(=O)OCC1(CO)OC(=O)/C(=C/c2cn(c3c2cccc3)C)/C1)CCC"	"SIWILCBNYOGJQH-LDADJPATSA-N"	"InChI=1S/C24H31NO5/c1-4-8-17(9-5-2)22(27)29-16-24(15-26)13-18(23(28)30-24)12-19-14-25(3)21-11-7-6-10-20(19)21/h6-7,10-12,14,17,26H,4-5,8-9,13,15-16H2,1-3H3/b18-12+"	""	""	""
"13235"	"(R)-asimilobine"	""	"Natural product"	""	""	""	""	"491300017"	"160875"	""	""	"CHEMBL469423"	""	""	""	""	"(6aR)-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol"	""	"(-)-asimilobine|R-(-)-asimilobine"	"COC1=C(C=C2CCN[C@H]3C2=C1C4=CC=CC=C4C3)O"	"NBDNEUOVIJYCGZ-CYBMUJFWSA-N"	"InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1"	""	""	""
"13737"	"ratutrelvir"	""	"Synthetic organic"	""	""	""	""	"507750370"	"169861725"	""	""	""	""	""	""	""	"(1R,2S,5S)-N-[(1S)-1-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide"	"ratutrelvir"	"Example 1 [WO2023093834A1]|TRX-01|TRX01"	"C(#N)[C@H](CC1C(NC2=CC=CC=C12)=O)NC(=O)[C@@H]3[C@H]4C([C@H]4CN3C([C@H](C(C)(C)C)NC(C(F)(F)F)=O)=O)(C)C"	"VVIHXCHAXVESGZ-MXEWLHNESA-N"	"InChI=1S/C27H32F3N5O4/c1-25(2,3)20(34-24(39)27(28,29)30)23(38)35-12-16-18(26(16,4)5)19(35)22(37)32-13(11-31)10-15-14-8-6-7-9-17(14)33-21(15)36/h6-9,13,15-16,18-20H,10,12H2,1-5H3,(H,32,37)(H,33,36)(H,34,39)/t13-,15?,16-,18-,19-,20+/m0/s1"	""	""	""
"136"	"rauwolscine"	""	"Natural product"	""	""	""	""	"135652710"	"643606"	""	""	"CHEMBL10347"	""	""	""	""	"methyl (1S,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate"	""	"&alpha;-yohimbine|corynanthidine|isoyohimbine|mesoyohimbine"	"COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1"	"BLGXFZZNTVWLAY-DIRVCLHFSA-N"	"InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19+/m1/s1"	""	""	""
"9229"	"ravoxertinib"	""	"Synthetic organic"	""	""	""	""	"315661304"	"71727581"	""	""	"CHEMBL3544964"	""	""	""	""	"1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one"	"ravoxertinib"	"example 39 [WO2013130976]|GDC-0994"	"OC[C@@H](n1ccc(cc1=O)c1ccnc(n1)Nc1ccnn1C)c1ccc(c(c1)F)Cl"	"RZUOCXOYPYGSKL-GOSISDBHSA-N"	"InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1"	""	""	""
"10168"	"ravulizumab"	""	"Antibody"	"yes"	""	""	""	"381118878"	"0"	""	""	""	""	""	""	""	""	"ravulizumab"	"ALXN-1210|ALXN1210|ravulizumab-cwvz|Ultomiris&reg;"	""	""	""	"yes"	""	""
"13344"	"raxibacumab"	""	"Antibody"	"yes"	""	""	""	"496703314"	"0"	""	""	"CHEMBL2108638"	""	""	""	""	""	"raxibacumab"	"Abthrax|PAmAb"	""	""	""	""	""	"yes"
"10851"	"razupenem"	""	"Synthetic organic"	""	""	""	""	"405560292"	"10993211"	""	""	"CHEMBL1256722"	""	""	""	""	"(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[[4-[(5S)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	"razupenem"	"PZ-601|SM-216601|SMP-601"	"C[C@@H]1NCC(=C1)c1csc(n1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C"	"XFGOMLIRJYURLQ-GOKYHWASSA-N"	"InChI=1S/C18H21N3O4S2/c1-7-4-10(5-19-7)11-6-26-18(20-11)27-15-8(2)13-12(9(3)22)16(23)21(13)14(15)17(24)25/h4,6-9,12-13,19,22H,5H2,1-3H3,(H,24,25)/t7-,8+,9+,12+,13+/m0/s1"	""	""	"yes"
"11336"	"razuprotafib"	""	"Synthetic organic"	""	""	""	""	"440816705"	"46700782"	""	""	"CHEMBL3931971"	""	""	""	""	"[4-[(2S)-2-[[(2S)-2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamic acid"	"razuprotafib"	"AKB-9778|AKB9778|Compound AA34 [US10220048]"	"COC(=O)N[C@H](C(=O)N[C@H](c1csc(n1)c1cccs1)Cc1ccc(cc1)NS(=O)(=O)O)Cc1ccccc1"	"KWJDHELCGJFUHW-SFTDATJTSA-N"	"InChI=1S/C26H26N4O6S3/c1-36-26(32)29-21(15-17-6-3-2-4-7-17)24(31)27-20(22-16-38-25(28-22)23-8-5-13-37-23)14-18-9-11-19(12-10-18)30-39(33,34)35/h2-13,16,20-21,30H,14-15H2,1H3,(H,27,31)(H,29,32)(H,33,34,35)/t20-,21-/m0/s1"	""	""	""
"11650"	"RB101"	""	"Synthetic organic"	""	""	""	""	"442878676"	"21119879"	""	""	""	""	""	""	""	"benzyl (2S)-2-[[2-[[(2-amino-4-methylsulfanylbutyl)disulfanyl]methyl]-3-phenylpropanoyl]amino]-3-phenylpropanoate"	""	"RB 101|RB-101"	"CSCCC(CSSCC(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)N"	"QXXMSEVVNUSHKJ-PPUMFKDSSA-N"	"InChI=1S/C31H38N2O3S3/c1-37-18-17-28(32)23-39-38-22-27(19-24-11-5-2-6-12-24)30(34)33-29(20-25-13-7-3-8-14-25)31(35)36-21-26-15-9-4-10-16-26/h2-16,27-29H,17-23,32H2,1H3,(H,33,34)/t27?,28?,29-/m0/s1"	""	""	""
"11651"	"RB120"	""	"Synthetic organic"	""	""	""	""	"442878677"	"54470354"	""	""	"CHEMBL3299158"	""	""	""	""	"benzyl (2S)-2-[[(2S)-2-[[[(2S)-2-amino-4-methylsulfanylbutyl]disulfanyl]methyl]-3-phenylpropanoyl]amino]propanoate"	""	"RB 120|RB-120"	"C[C@@H](C(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)CSSC[C@H](CCSC)N"	"XHWYFTNNIZGHRW-PMOQBDJRSA-N"	"InChI=1S/C25H34N2O3S3/c1-19(25(29)30-16-21-11-7-4-8-12-21)27-24(28)22(15-20-9-5-3-6-10-20)17-32-33-18-23(26)13-14-31-2/h3-12,19,22-23H,13-18,26H2,1-2H3,(H,27,28)/t19-,22+,23-/m0/s1"	""	""	""
"11652"	"RB3007"	""	"Synthetic organic"	""	""	""	""	"442878678"	"11072779"	""	""	""	""	""	""	""	""	""	"RB 3007|RB-3007"	"N[C@H](P(=O)(OCCSC(=O)C)C[C@H](C(=O)N[C@H](C(=O)OCc1ccccc1)C)Cc1ccc(cc1)c1ccccc1)c1ccccc1"	"PYJMLILRVYLUHW-UNCDKACKSA-N"	"InChI=1S/C37H41N2O6PS/c1-27(37(42)44-25-30-12-6-3-7-13-30)39-36(41)34(24-29-18-20-32(21-19-29)31-14-8-4-9-15-31)26-46(43,45-22-23-47-28(2)40)35(38)33-16-10-5-11-17-33/h3-21,27,34-35H,22-26,38H2,1-2H3,(H,39,41)/t27-,34+,35+,46?/m0/s1"	""	""	""
"900"	"RB-400"	""	"Peptide"	""	""	""	""	"135652432"	"5311400"	""	""	"CHEMBL262197"	""	""	""	""	"(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[(3-hydroxy-3-oxopropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]-methylamino]hexanoyl]amino]-4-oxobutanoic acid"	""	"RB 400|RB400"	"CCCC[C@H](N(C(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CC(=O)O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O"	"QUSCQANKQSFCGJ-FWEHEUNISA-N"	"InChI=1S/C34H42N6O9/c1-3-4-14-27(33(48)39-25(17-29(42)43)32(47)38-24(31(35)46)15-20-10-6-5-7-11-20)40(2)34(49)26(37-28(41)18-30(44)45)16-21-19-36-23-13-9-8-12-22(21)23/h5-13,19,24-27,36H,3-4,14-18H2,1-2H3,(H2,35,46)(H,37,41)(H,38,47)(H,39,48)(H,42,43)(H,44,45)/t24-,25-,26-,27-/m0/s1"	""	""	""
"981"	"RBI257"	""	"Synthetic organic"	""	""	""	""	"135650888"	"5041"	""	""	""	""	""	""	""	"N-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-N-methyl-3-propan-2-yloxypyridin-2-amine"	""	"RBI 257|RBI-257"	"CC(Oc1cccnc1N(C1CCN(CC1)Cc1ccc(cc1)I)C)C"	"ZJAXDNQQFMPNAV-UHFFFAOYSA-N"	"InChI=1S/C21H28IN3O/c1-16(2)26-20-5-4-12-23-21(20)24(3)19-10-13-25(14-11-19)15-17-6-8-18(22)9-7-17/h4-9,12,16,19H,10-11,13-15H2,1-3H3"	""	""	""
"8879"	"RBM2-1B"	""	"Synthetic organic"	""	""	""	""	"252827536"	"60150550"	""	""	"CHEMBL2024680"	""	""	""	""	"N-[(E,2R)-1-hydroxy-4-tridecylsulfanylbut-3-en-2-yl]octanamide"	""	""	"CCCCCCCCCCCCCS/C=C/[C@@H](NC(=O)CCCCCCC)CO"	"NYZFADNSXWSJDZ-PPEFQKSUSA-N"	"InChI=1S/C25H49NO2S/c1-3-5-7-9-10-11-12-13-14-16-18-21-29-22-20-24(23-27)26-25(28)19-17-15-8-6-4-2/h20,22,24,27H,3-19,21,23H2,1-2H3,(H,26,28)/b22-20+/t24-/m1/s1"	""	""	""
"13124"	"RBN012759"	""	"Synthetic organic"	""	""	""	""	"491299906"	"138696916"	""	""	""	""	""	""	""	"7-(cyclopropylmethoxy)-5-fluoro-2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one"	""	"RBN-012759"	"C1CC1COC2=CC3=C(C(=C2)F)C(=O)NC(=N3)CSC4CCC(CC4)O"	"NKZDEFKPZSLQRF-UHFFFAOYSA-N"	"InChI=1S/C19H23FN2O3S/c20-15-7-13(25-9-11-1-2-11)8-16-18(15)19(24)22-17(21-16)10-26-14-5-3-12(23)4-6-14/h7-8,11-12,14,23H,1-6,9-10H2,(H,21,22,24)"	""	""	""
"14077"	"(R)-BPO-27"	""	"Synthetic organic"	""	""	""	""	"518520704"	"71108905"	""	""	"CHEMBL2386372"	""	""	""	""	""	""	""	"CN1C2=C3[C@@H](OC4=C(C=C(C=C4)C(O)=O)N3C(=C2C(=O)N(C)C1=O)C5=CC=CC=C5)C6=CC=C(Br)O6"	"GNHIGSRGYXEQEP-QHCPKHFHSA-N"	"InChI=1S/C26H18BrN3O6/c1-28-21-19(24(31)29(2)26(28)34)20(13-6-4-3-5-7-13)30-15-12-14(25(32)33)8-9-16(15)36-23(22(21)30)17-10-11-18(27)35-17/h3-12,23H,1-2H3,(H,32,33)/t23-/m0/s1"	""	""	""
"2389"	"Rb<sup>+</sup>"	""	"Inorganic"	""	""	""	""	"135652745"	"105153"	""	""	""	""	""	""	""	""	""	"rubidium ion"	""	""	""	""	""	""
"11439"	"RCI-0879"	""	"Synthetic organic"	""	""	""	""	"440816808"	"155817517"	""	""	""	""	""	""	""	"6,7-dichloro-4-{2-[(2S)-4-[2-(morpholin-4-yl)ethanesulfonyl]-2-[(pyrrolidin-1-yl)methyl]piperazin-1-yl]-2-oxoethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one"	""	"RCI0879"	"O=C(N1CCN(C[C@@H]1CN1CCCC1)S(=O)(=O)CCN1CCOCC1)CN1C(=O)COc2c1cc(Cl)c(c2)Cl"	"ABDQSBVMVCODPZ-IBGZPJMESA-N"	"InChI=1S/C25H35Cl2N5O6S/c26-20-13-22-23(14-21(20)27)38-18-25(34)32(22)17-24(33)31-6-5-30(16-19(31)15-29-3-1-2-4-29)39(35,36)12-9-28-7-10-37-11-8-28/h13-14,19H,1-12,15-18H2/t19-/m0/s1"	""	""	""
"11065"	"(R)-CR8"	""	"Synthetic organic"	""	""	""	""	"405560506"	"10224714"	""	""	"CHEMBL518800"	""	""	""	""	"(2R)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butan-1-ol"	""	""	"CC[C@@H](Nc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)n(cn2)C(C)C)CO"	"HOCBJBNQIQQQGT-LJQANCHMSA-N"	"InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m1/s1"	""	""	""
"13782"	"(R)-DFV890"	""	"Synthetic organic"	""	""	""	""	"507750415"	"137443244"	""	""	""	""	""	""	""	""	""	"compound (R)-1 [PMID: 40036600]|DFV-890|IFM-2427|IFM2427"	"CC(C)(O)C1=NC=C([S@](N)(=O)=NC(=O)NC2=C3CCCC3=CC4=C2CCC4)S1"	"LHVWNNYPUDZLSH-MUUNZHRXSA-N"	"InChI=1S/C19H24N4O3S2/c1-19(2,25)17-21-10-15(27-17)28(20,26)23-18(24)22-16-13-7-3-5-11(13)9-12-6-4-8-14(12)16/h9-10,25H,3-8H2,1-2H3,(H3,20,22,23,24,26)/t28-/m1/s1"	"yes"	""	""
"13825"	"RDp002"	""	"Synthetic organic"	""	""	""	""	"507750458"	"169302260"	""	""	""	""	""	""	""	"1-(4-((4-(2-(piperidin-1-yl)ethoxy)benzyl)oxy)naphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea"	""	"ID210203C-1"	"N1(CCCCC1)CCOC2=CC=C(COC3=CC=C(C4=CC=CC=C34)NC(=O)NCC5=CC=NC=C5)C=C2"	"WYAYILRKBUFRHB-UHFFFAOYSA-N"	"InChI=1S/C31H34N4O3/c36-31(33-22-24-14-16-32-17-15-24)34-29-12-13-30(28-7-3-2-6-27(28)29)38-23-25-8-10-26(11-9-25)37-21-20-35-18-4-1-5-19-35/h2-3,6-17H,1,4-5,18-23H2,(H2,33,34,36)"	""	""	""
"1739"	"reactive blue-2"	""	"Synthetic organic"	""	""	""	""	"135650889"	"656725"	""	""	"CHEMBL1160031"	""	""	""	""	"1-amino-4-[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfophenyl]amino]-9,10-dioxoanthracene-2-sulfonic acid"	""	"affi gel blue|cibacron blue|procion blue HB"	"OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1"	"JQYMGXZJTCOARG-UHFFFAOYSA-N"	"InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)"	""	""	""
"871"	"rebamipide"	""	"Synthetic organic"	"yes"	""	""	""	"135650890"	"5042"	""	""	"CHEMBL1697771"	""	""	""	""	"2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid"	"rebamipide"	"OPC-12759|pramipide"	"Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(=O)[nH]c2c1cccc2"	"ALLWOAVDORUJLA-UHFFFAOYSA-N"	"InChI=1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)"	""	""	""
"9173"	"rebastinib"	""	"Synthetic organic"	""	""	""	""	"315661256"	"25066467"	""	""	"CHEMBL1738757"	""	""	""	""	"4-[4-[(5-tert-butyl-2-quinolin-6-ylpyrazol-3-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide"	"rebastinib"	"DCC 2036|DCC-2036|DP-1919"	"CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1cc(nn1c1ccc2c(c1)cccn2)C(C)(C)C"	"WVXNSAVVKYZVOE-UHFFFAOYSA-N"	"InChI=1S/C30H28FN7O3/c1-30(2,3)26-17-27(38(37-26)19-7-9-23-18(14-19)6-5-12-33-23)36-29(40)35-24-10-8-20(15-22(24)31)41-21-11-13-34-25(16-21)28(39)32-4/h5-17H,1-4H3,(H,32,39)(H2,35,36,40)"	"yes"	""	""
"4808"	"reboxetine"	""	"Synthetic organic"	"yes"	""	""	""	"178101510"	"65856"	""	""	"CHEMBL180101"	""	""	""	""	"(2S)-2-[(S)-2-ethoxyphenoxy(phenyl)methyl]morpholine"	"reboxetine"	"Edronax&reg;|PNU-165442G"	"CCOc1ccccc1O[C@@H](c1ccccc1)[C@H]1OCCNC1"	"CBQGYUDMJHNJBX-OALUTQOASA-N"	"InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1"	""	""	""
"8459"	"Rec 15/2615"	""	"Synthetic organic"	""	""	""	""	"252166669"	"9891980"	""	""	"CHEMBL430717"	""	""	""	""	"1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2-methoxy-6-propan-2-ylphenoxy)ethanone"	""	""	"COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C"	"ZZMFJJDBKSYGRM-UHFFFAOYSA-N"	"InChI=1S/C26H33N5O5/c1-16(2)17-7-6-8-20(33-3)24(17)36-15-23(32)30-9-11-31(12-10-30)26-28-19-14-22(35-5)21(34-4)13-18(19)25(27)29-26/h6-8,13-14,16H,9-12,15H2,1-5H3,(H2,27,28,29)"	""	""	""
"74"	"Rec 15/3079"	""	"Synthetic organic"	""	""	""	""	"135650892"	"9847377"	""	""	""	""	""	""	""	"N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)cyclohexanecarboxamide"	""	""	"COc1ccccc1N1CCN(CC1)CCN(c1ccccc1[N+](=O)[O-])C(=O)C1CCCCC1"	"HVMKWKIPLGPYAR-UHFFFAOYSA-N"	"InChI=1S/C26H34N4O4/c1-34-25-14-8-7-13-24(25)28-18-15-27(16-19-28)17-20-29(26(31)21-9-3-2-4-10-21)22-11-5-6-12-23(22)30(32)33/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3"	""	""	""
"14196"	"recaticimab"	""	"Antibody"	"yes"	""	""	""	"518520823"	"0"	""	""	""	""	""	""	""	""	"recaticimab"	"Ai Xin'an&reg; (China)|SHR-1209|SHR1209"	""	""	""	""	""	""
"11620"	"recilisib"	""	"Synthetic organic"	""	""	""	""	"442878654"	"9884220"	""	""	"CHEMBL2219421"	""	""	""	""	"4-[(E)-2-[(4-chlorophenyl)methylsulfonyl]ethenyl]benzoic acid"	"recilisib"	"EX-RAD&reg;|ON 01210|ON-01210"	"Clc1ccc(cc1)CS(=O)(=O)/C=C/c1ccc(cc1)C(=O)O"	"KBEKQQJUNVQLDZ-MDZDMXLPSA-N"	"InChI=1S/C16H13ClO4S/c17-15-7-3-13(4-8-15)11-22(20,21)10-9-12-1-5-14(6-2-12)16(18)19/h1-10H,11H2,(H,18,19)/b10-9+"	""	""	""
"6512"	"(R)-EF-1520"	""	"Synthetic organic"	""	""	""	""	"178103126"	"53321930"	""	""	"CHEMBL1628533"	""	""	""	""	"(4R)-4-{[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl](methyl)amino}-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol"	""	""	"CN([C@@H]1CCCc2c1c(O)no2)CCC=C(c1sccc1C)c1sccc1C"	"CUESOMOCKVRNIW-QGZVFWFLSA-N"	"InChI=1S/C22H26N2O2S2/c1-14-9-12-27-20(14)16(21-15(2)10-13-28-21)6-5-11-24(3)17-7-4-8-18-19(17)22(25)23-26-18/h6,9-10,12-13,17H,4-5,7-8,11H2,1-3H3,(H,23,25)/t17-/m1/s1"	""	""	""
"7942"	"refametinib"	""	"Synthetic organic"	""	""	""	""	"249565625"	"44182295"	""	""	""	""	""	""	""	"N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide"	"refametinib"	"BAY-869766|RDEA119"	"OC[C@H](CC1(CC1)S(=O)(=O)Nc1c(OC)cc(c(c1Nc1ccc(cc1F)I)F)F)O"	"RDSACQWTXKSHJT-NSHDSACASA-N"	"InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1"	""	""	""
"5596"	"regadenoson"	""	"Synthetic organic"	"yes"	""	""	""	"178102231"	"219024"	""	""	"CHEMBL317052"	""	""	""	""	"1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide"	"regadenoson"	"CVT-3146|Lexiscan&reg;|Rapiscan&reg;"	"OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC"	"LZPZPHGJDAGEJZ-AKAIJSEGSA-N"	"InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1"	""	""	""
"11332"	"regdanvimab"	""	"Antibody"	"yes"	""	""	""	"434321767"	"0"	""	""	""	""	""	""	""	""	"regdanvimab"	"CT-P-59|CT-P59|Regkirona&reg;"	""	""	""	""	""	""
"2670"	"reglitazar"	""	"Synthetic organic"	""	""	""	""	"135650893"	"154000"	""	""	"CHEMBL293526"	""	""	""	""	"4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,2-oxazolidine-3,5-dione"	"reglitazar"	"JTT-501"	"O=C1ONC(=O)C1Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1"	"QBQLYIISSRXYKL-UHFFFAOYSA-N"	"InChI=1S/C22H20N2O5/c1-14-19(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-18-20(25)24-29-22(18)26/h2-10,18H,11-13H2,1H3,(H,24,25)"	""	""	""
"5891"	"regorafenib"	""	"Synthetic organic"	"yes"	""	""	""	"178102514"	"11167602"	""	""	"CHEMBL1946170"	""	""	""	""	"4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide"	"regorafenib"	"BAY 73-4506|Stivarga&reg;"	"CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl"	"FNHKPVJBJVTLMP-UHFFFAOYSA-N"	"InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)"	""	""	""
"1770"	"regrelor"	""	"Synthetic organic"	""	""	""	""	"135650403"	"11273179"	""	""	"CHEMBL1162175"	""	""	""	""	"[(2S,3aR,4R,6R,6aR)-6-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[4,3-d][1,3]dioxol-4-yl]methyl dihydrogen phosphate"	"regrelor"	"INS 50589|INS-50589|INS50589"	"CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@H](O2)/C=C/c1ccccc1)COP(=O)(O)O"	"NXHAXEBZOXCDKD-XIXRRVGJSA-N"	"InChI=1S/C22H25N6O8P/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29)/b9-8+/t14-,15+,17-,18-,21-/m1/s1"	""	""	""
"7862"	"relacatib"	""	"Synthetic organic"	""	""	""	""	"223366192"	"6918602"	""	""	"CHEMBL203665"	""	""	""	""	"N-[(2S)-4-methyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide"	"relacatib"	"SB-462795|SB462795"	"CC(C[C@@H](C(=O)N[C@H]1CC[C@H](N(CC1=O)S(=O)(=O)c1ccccn1)C)NC(=O)c1cc2c(o1)cccc2)C"	"BWYBBMQLUKXECQ-GIVPXCGWSA-N"	"InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1"	""	""	""
"13830"	"relacorilant"	""	"Synthetic organic"	"yes"	""	""	""	"507750463"	"73051463"	""	""	"CHEMBL4068611"	""	""	""	""	"[(4aR)-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-[4-(trifluoromethyl)pyridin-2-yl]methanone"	"relacorilant"	"compound 7 [PMID: 28368581]|CORT-125134|CORT125134|Lifyorli&reg;"	"CN1C=C(C=N1)S(=O)(=O)N2CCC3=CC4=C(C[C@@]3(C2)C(=O)C5=NC=CC(=C5)C(F)(F)F)C=NN4C6=CC=C(C=C6)F"	"WANIDIGFXJFFEL-SANMLTNESA-N"	"InChI=1S/C27H22F4N6O3S/c1-35-15-22(14-33-35)41(39,40)36-9-7-18-11-24-17(13-34-37(24)21-4-2-20(28)3-5-21)12-26(18,16-36)25(38)23-10-19(6-8-32-23)27(29,30)31/h2-6,8,10-11,13-15H,7,9,12,16H2,1H3/t26-/m0/s1"	"yes"	""	""
"13328"	"RelA inhibitor A55"	""	"Synthetic organic"	""	""	""	""	"496703298"	"1403774"	""	""	""	""	""	""	""	"2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxopyridin-1-yl)acetic acid"	""	""	"C(N)(=O)C=1C(N(C(=CC1C)O)CC(=O)O)=O"	"OYJWWEUFIDFWTQ-UHFFFAOYSA-N"	"InChI=1S/C9H10N2O5/c1-4-2-5(12)11(3-6(13)14)9(16)7(4)8(10)15/h2,12H,3H2,1H3,(H2,10,15)(H,13,14)"	""	""	""
"9536"	"relatlimab"	""	"Antibody"	"yes"	""	""	""	"336446922"	"0"	""	""	""	""	""	""	""	""	"relatlimab"	"BMS-986016|BMS986016|ONO-4482|Opdualag&reg; (nivolumab + relatlimab-rmbw)|relatlimab-rmbw"	""	""	""	"yes"	""	""
"1992"	"relaxin"	"Pig"	"Peptide"	""	""	""	""	"135652435"	"0"	""	""	""	"4438|4439"	"relaxin A chain|relaxin B chain"	"P01348|4439:no_UniProt_ID"	"4438:no_ENS_ID|4439:no_ENS_ID"	""	""	""	""	""	""	""	""	""
"1994"	"relaxin"	"Rhesus macaque"	"Peptide"	""	""	""	""	"135652434"	"0"	""	""	""	"4441|4440"	"relaxin B chain|relaxin A chain"	"P19884|P19884"	"4441:no_ENS_ID|4440:no_ENS_ID"	""	""	""	""	""	""	""	""	""
"1993"	"relaxin"	"Rat"	"Peptide"	""	""	""	""	"135651880"	"0"	"P01347"	"ENSRNOG00000060867"	""	"4437|4436"	"relaxin B chain|relaxin A chain"	"P01347|P01347"	"ENSRNOG00000060867|ENSRNOG00000060867"	""	""	""	""	""	""	""	""	""
"1989"	"relaxin"	"Human"	"Peptide"	""	""	""	""	"135651784"	"0"	""	""	""	"3746|3745"	"relaxin (A chain)|relaxin (B chain)"	"P04090|P04090"	"ENSG00000107014|ENSG00000107014"	""	""	"H2 relaxin"	""	""	""	""	""	""
"1988"	"relaxin-1"	"Human"	"Peptide"	""	""	""	""	"135651783"	"0"	""	"ENSG00000107018"	""	"3744|3743"	"relaxin-1 (A chain)|relaxin-1 (B chain)"	"P04808|P04808"	"ENSG00000107018|ENSG00000107018"	""	""	"H1 relaxin"	""	""	""	""	""	""
"3744"	"relaxin-1 (A chain)"	"Human"	"Peptide"	""	""	""	""	"135651930"	"0"	"P04808"	"ENSG00000107018"	""	""	""	""	""	""	""	"H1 relaxin (A chain)"	""	""	""	""	""	""
"3743"	"relaxin-1 (B chain)"	"Human"	"Peptide"	""	""	""	""	"135651931"	"0"	"P04808"	"ENSG00000107018"	""	""	""	""	""	""	""	"H1 relaxin (B chain)"	""	""	""	""	""	""
"11923"	"relaxin-3"	"Rat"	"Peptide"	""	""	""	""	"461663478"	"0"	"Q8BFS3"	"ENSRNOG00000005911"	""	"11924|11925"	"H3 relaxin (A chain)|H3 relaxin (B chain)"	"Q8BFS3|Q8BFS3"	"ENSRNOG00000005911|ENSRNOG00000005911"	""	""	""	""	""	""	""	""	""
"1990"	"relaxin-3"	"Human"	"Peptide"	""	""	""	""	"135651785"	"0"	"Q8WXF3"	"ENSG00000171136"	""	"3748|1997"	"relaxin-3 (A chain)|relaxin-3 (B chain)"	"Q8WXF3|Q8WXF3"	"ENSG00000171136|ENSG00000171136"	""	""	"H3 relaxin"	""	""	""	""	""	""
"3748"	"relaxin-3 (A chain)"	"Human"	"Peptide"	""	""	""	""	"135651934"	"0"	"Q8WXF3"	"ENSG00000171136"	""	""	""	""	""	""	""	"H3 relaxin (A chain)"	""	""	""	""	""	""
"1997"	"relaxin-3 (B chain)"	"Human"	"Peptide"	""	""	""	""	"135651786"	"0"	"Q8WXF3"	"ENSG00000171136"	""	""	""	""	""	""	""	"H3 relaxin (B chain)|insulin-like peptide INSL7"	""	""	""	""	""	""
"8337"	"relaxin-3 B chain dimer"	""	"Peptide"	""	""	""	""	"252166549"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3746"	"relaxin (A chain)"	"Human"	"Peptide"	""	""	""	""	"135651933"	"0"	"P04090"	"ENSG00000107014"	""	""	""	""	""	""	""	"H2 relaxin (A chain)"	""	""	""	""	""	""
"4436"	"relaxin A chain"	"Rat"	"Peptide"	""	""	""	""	"135651943"	"0"	"P01347"	"ENSRNOG00000060867"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4438"	"relaxin A chain"	"Pig"	"Peptide"	""	""	""	""	"135652649"	"0"	"P01348"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4440"	"relaxin A chain"	"Rhesus macaque"	"Peptide"	""	""	""	""	"135652646"	"0"	"P19884"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"3745"	"relaxin (B chain)"	"Human"	"Peptide"	""	""	""	""	"135651932"	"0"	"P04090"	"ENSG00000107014"	""	""	""	""	""	""	""	"H2 relaxin (B chain)"	""	""	""	""	""	""
"4437"	"relaxin B chain"	"Rat"	"Peptide"	""	""	""	""	"135651944"	"0"	"P01347"	"ENSRNOG00000060867"	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4441"	"relaxin B chain"	"Rhesus macaque"	"Peptide"	""	""	""	""	"135652647"	"0"	"P19884"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"4439"	"relaxin B chain"	"Pig"	"Peptide"	""	""	""	""	"135652648"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""	""
"14371"	"relcobatinib"	""	"Synthetic organic"	""	""	""	""	"523352163"	"167374699"	""	""	""	""	""	""	""	"cis-(1S,2S)-N-[2-[4,6-bis(trideuteriomethoxy)pyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide"	"relcobatinib"	"compound 95 [WO2022076975]"	"CN1C(=CC=2C1=CN=C(NC(=O)[C@H]3[C@@H](F)C3)C2)C=4C(OC([2H])([2H])[2H])=NC=NC4OC([2H])([2H])[2H]"	"SULRARRXFNUQFC-KQLZAONFSA-N"	"InChI=1S/C18H18FN5O3/c1-24-12(15-17(26-2)21-8-22-18(15)27-3)4-9-5-14(20-7-13(9)24)23-16(25)10-6-11(10)19/h4-5,7-8,10-11H,6H2,1-3H3,(H,20,23,25)/t10-,11+/m1/s1/i2D3,3D3"	""	""	""
"2200"	"relcovaptan"	""	"Synthetic organic"	""	""	""	""	"135651080"	"60943"	""	""	"CHEMBL419667"	""	""	""	""	"(2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy2H-indole-2-carbonyl]pyrrolidine-2-carboxamide"	"relcovaptan"	"SR 49059|SR-49059|SR49059"	"COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl"	"CEBYCSRFKCEUSW-NAYZPBBASA-N"	"InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1"	""	""	""
"11801"	"reldesemtiv"	""	"Synthetic organic"	""	""	""	""	"458923836"	"67454400"	""	""	"CHEMBL4297600"	""	""	""	""	"1-[2-[[3-fluoro-1-(3-fluoropyridin-2-yl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide"	"reldesemtiv"	"CK-107|CK-2127107|CK2127107"	"C1C(CC1(CNc1ncc(cn1)n1ccc(c1)C(=O)N)c1c(cccn1)F)F"	"MQXWPWOCXGARRK-UHFFFAOYSA-N"	"InChI=1S/C19H18F2N6O/c20-13-6-19(7-13,16-15(21)2-1-4-23-16)11-26-18-24-8-14(9-25-18)27-5-3-12(10-27)17(22)28/h1-5,8-10,13H,6-7,11H2,(H2,22,28)(H,24,25,26)"	""	""	""
"10852"	"relebactam"	""	"Synthetic organic"	"yes"	""	""	""	"405560293"	"44129647"	""	""	"CHEMBL3112741"	""	""	""	""	"[(2S,5R)-7-oxo-2-(piperidin-4-ylcarbamoyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate"	"relebactam"	"MK-7655|MK-7655A|MK7655"	"O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NC1CCNCC1"	"SMOBCLHAZXOKDQ-ZJUUUORDSA-N"	"InChI=1S/C12H20N4O6S/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21/h8-10,13H,1-7H2,(H,14,17)(H,19,20,21)/t9-,10+/m1/s1"	""	""	"yes"
"8427"	"relenopride"	""	"Synthetic organic"	""	""	""	""	"252166637"	"45275554"	""	""	""	""	""	""	""	"[(1S)-3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]-1-(4-fluorophenyl)propyl] carbamate"	"relenopride"	"YKP10811"	"COc1cc(N)c(cc1C(=O)NCC1CCN(CC1)CC[C@@H](c1ccc(cc1)F)OC(=O)N)Cl"	"KGMMSPVVHZGPHL-NRFANRHFSA-N"	"InChI=1S/C24H30ClFN4O4/c1-33-22-13-20(27)19(25)12-18(22)23(31)29-14-15-6-9-30(10-7-15)11-8-21(34-24(28)32)16-2-4-17(26)5-3-16/h2-5,12-13,15,21H,6-11,14,27H2,1H3,(H2,28,32)(H,29,31)/t21-/m0/s1"	""	""	""
"13721"	"reltecimod"	""	"Peptide"	""	""	""	""	"507750355"	"71652162"	""	""	"CHEMBL3989950"	""	""	""	""	""	"reltecimod"	"AB 103|AB103|p2TA"	"C[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)O)N"	"VRNHFZYMPDKTBS-WYUJEMNCSA-N"	"InChI=1S/C46H72N10O15S/c1-22(2)18-30(52-39(63)29(15-17-72-8)50-43(67)34-10-9-16-56(34)45(69)33(21-57)54-37(61)24(5)47)42(66)55-36(23(3)4)44(68)48-25(6)38(62)51-31(19-27-11-13-28(58)14-12-27)41(65)53-32(20-35(59)60)40(64)49-26(7)46(70)71/h11-14,22-26,29-34,36,57-58H,9-10,15-21,47H2,1-8H3,(H,48,68)(H,49,64)(H,50,67)(H,51,62)(H,52,63)(H,53,65)(H,54,61)(H,55,66)(H,59,60)(H,70,71)/t24-,25+,26-,29+,30+,31+,32+,33+,34+,36+/m1/s1"	""	""	"yes"
"5586"	"relugolix"	""	"Synthetic organic"	"yes"	""	""	""	"178102221"	"10348973"	""	""	"CHEMBL1800159"	""	""	""	""	"1-[4-[1-[(2,6-difluorophenyl)methyl]-5-(dimethylaminomethyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno[4,5-e]pyrimidin-6-yl]phenyl]-3-methoxyurea"	"relugolix"	"Orgovyx&reg;|Ryeqo&reg; (relugolix-estradiol-norethisterone acetate)|TAK 385|TAK-385"	"CONC(=O)Nc1ccc(cc1)c1sc2c(c1CN(C)C)c(=O)n(c(=O)n2Cc1c(F)cccc1F)c1ccc(nn1)OC"	"AOMXMOCNKJTRQP-UHFFFAOYSA-N"	"InChI=1S/C29H27F2N7O5S/c1-36(2)14-19-24-26(39)38(22-12-13-23(42-3)34-33-22)29(41)37(15-18-20(30)6-5-7-21(18)31)27(24)44-25(19)16-8-10-17(11-9-16)32-28(40)35-43-4/h5-13H,14-15H2,1-4H3,(H2,32,35,40)"	""	""	""
"12643"	"relutrigine"	""	"Synthetic organic"	""	""	""	""	"483123191"	"147075611"	""	""	""	""	""	""	""	"3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazine"	"relugolix"	"PRAX-562|PRAX562"	"CCOC(C1=NN=C2N1C=C(N=C2)C3=CC(=C(N=C3)OCC(F)(F)F)F)(F)F"	"BFXBSYMVTNEFRF-UHFFFAOYSA-N"	"InChI=1S/C15H11F6N5O2/c1-2-28-15(20,21)13-25-24-11-5-22-10(6-26(11)13)8-3-9(16)12(23-4-8)27-7-14(17,18)19/h3-6H,2,7H2,1H3"	""	""	""
"14363"	"relzasertideg"	""	"Synthetic organic"	""	""	""	""	"523352155"	"155338753"	""	""	""	""	""	""	""	"N-[(1R)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide"	"relzasertideg"	"BMS-986397|BMS986397|CC-91633|CC91633|compound 173 [WO2020243379]|example 25 [WO2020243379]"	"C1CC(=O)NC(=O)[C@H]1N2CC3=C(C2=O)C=CC(=C3)C(=O)N[C@H](C4=C(C=CC=N4)Cl)C(F)(F)F"	"DGAWFEDONPXNNP-WMLDXEAASA-N"	"InChI=1S/C21H16ClF3N4O4/c22-13-2-1-7-26-16(13)17(21(23,24)25)28-18(31)10-3-4-12-11(8-10)9-29(20(12)33)14-5-6-15(30)27-19(14)32/h1-4,7-8,14,17H,5-6,9H2,(H,28,31)(H,27,30,32)/t14-,17+/m0/s1"	""	""	""
"10715"	"remdesivir"	""	"Synthetic organic"	"yes"	""	""	""	"404859162"	"121304016"	""	""	"CHEMBL4065616"	""	""	""	""	"2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate"	"remdesivir"	"compound 4b [PMID: 28124907]|GS-5734|GS5734|Veklury&reg;"	"CCC(COC(=O)[C@@H](N[P@@](=O)(Oc1ccccc1)OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(C#N)c1ccc2n1ncnc2N)C)CC"	"RWWYLEGWBNMMLJ-YSOARWBDSA-N"	"InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1"	""	""	""
"11899"	"remdesivir triphosphate"	""	"Synthetic organic"	""	""	""	""	"461663454"	"56832906"	""	""	"CHEMBL2016761"	""	""	""	""	"[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate"	""	"GS-441524 triphosphate|GS-443902|RDV-TP"	"c1c2c(ncnn2c(c1)[C@]1([C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C#N)N"	"DFVPCNAMNAPBCX-LTGWCKQJSA-N"	"InChI=1S/C12H16N5O13P3/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h1-2,5,7,9-10,18-19H,3H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,12+/m1/s1"	""	""	""
"10457"	"remibrutinib"	""	"Synthetic organic"	"yes"	""	""	""	"385612217"	"118107483"	""	""	""	""	""	""	""	"N-[3-[6-amino-5-[2-[methyl(prop-2-enoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamide"	"remibrutinib"	"compound 25 [PMID: 32083858]|example 6 [WO2015079417A1]|LOU-064|LOU064|LOU064-NXA|NVP-LOU064-NXA|Rhapsido&reg;"	"C=CC(=O)N(CCOc1c(N)ncnc1c1cc(F)cc(c1C)NC(=O)c1ccc(cc1F)C1CC1)C"	"CUABMPOJOBCXJI-UHFFFAOYSA-N"	"InChI=1S/C27H27F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h4,7-8,11-14,16H,1,5-6,9-10H2,2-3H3,(H,33,36)(H2,30,31,32)"	"yes"	""	""
"7292"	"remifentanil"	""	"Synthetic organic"	"yes"	""	""	""	"178103866"	"60815"	""	""	"CHEMBL1005"	""	""	""	""	"methyl 1-(3-methoxy-3-oxopropyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate"	"remifentanil"	"GI-87084B|Ultiva&reg;"	"COC(=O)C1(CCN(CC1)CCC(=O)OC)N(c1ccccc1)C(=O)CC"	"ZTVQQQVZCWLTDF-UHFFFAOYSA-N"	"InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3"	""	""	""
"8442"	"remimazolam"	""	"Synthetic organic"	"yes"	""	""	""	"252166652"	"9824461"	""	""	""	""	""	""	""	"methyl 3-[(4S)-8-bromo-2-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propanoate"	"remimazolam"	"Byfavo&reg;|CNS-7056|CNS7056"	"COC(=O)CC[C@@H]1N=C(c2ccccn2)c2c(n3c1nc(c3)C)ccc(c2)Br"	"GHUYIIGPWBMOGY-KRWDZBQOSA-N"	"InChI=1S/C21H19BrN4O2/c1-13-12-26-18-8-6-14(22)11-15(18)20(16-5-3-4-10-23-16)25-17(21(26)24-13)7-9-19(27)28-2/h3-6,8,10-12,17H,7,9H2,1-2H3/t17-/m0/s1"	""	""	""
"13636"	"remlarsen"	""	"Nucleic acid"	""	""	""	""	"504705455"	"0"	""	""	"CHEMBL4594491"	""	""	""	""	""	"remlarsen"	"MRG-201|MRG201"	""	""	""	""	""	""
"8102"	"remodelin"	""	"Synthetic organic"	""	""	""	""	"249565782"	"44442376"	""	""	"CHEMBL399572"	""	""	""	""	"4-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile"	""	""	"N#Cc1ccc(cc1)c1csc(n1)NN=C1CCCC1"	"XAEJIFARBQJLML-UHFFFAOYSA-N"	"InChI=1S/C15H14N4S/c16-9-11-5-7-12(8-6-11)14-10-20-15(17-14)19-18-13-3-1-2-4-13/h5-8,10H,1-4H2,(H,17,19)"	""	""	""
"4588"	"remogliflozin"	""	"Synthetic organic"	""	""	""	""	"178101309"	"136059718"	""	""	"CHEMBL494322"	""	""	""	""	"2-(4-propan-2-yloxyphenyl)-1-[5-propan-2-yl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]ethanone"	""	""	"OC[C@H]1O[C@@H](Oc2n[nH]c(c2C(=O)Cc2ccc(cc2)OC(C)C)C(C)C)[C@@H]([C@H]([C@@H]1O)O)O"	"ZFTKJNMBOMHCDC-CKSGFJDPSA-N"	"InChI=1S/C23H32N2O8/c1-11(2)18-17(15(27)9-13-5-7-14(8-6-13)31-12(3)4)22(25-24-18)33-23-21(30)20(29)19(28)16(10-26)32-23/h5-8,11-12,16,19-21,23,26,28-30H,9-10H2,1-4H3,(H,24,25)/t16-,19-,20+,21-,23+/m1/s1"	""	""	""
"9597"	"remtolumab"	""	"Antibody"	""	""	""	""	"340590227"	"0"	""	""	""	""	""	""	""	""	"remtolumab"	"A-1230717|ABT-122"	""	""	""	"yes"	""	""
"13279"	"rentosertib"	""	"Synthetic organic"	""	""	""	""	"491300061"	"164938183"	""	""	""	""	""	""	""	"2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide"	"rentosertib"	"compound 112 [WO2022179528]|compound 4 [PMID: 39422731]|INS-018-055|INS-018_055|INS018-055|ISM001-055"	"CC(C)N1C=NC(=C1C2=NC=C(N2)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)C)C5=CC=C(C=C5)F"	"ZVDNXHUSIKGTSF-UHFFFAOYSA-N"	"InChI=1S/C27H30FN7O/c1-18(2)35-17-30-24(19-4-6-20(28)7-5-19)25(35)26-29-16-23(32-26)27(36)31-21-8-10-22(11-9-21)34-14-12-33(3)13-15-34/h4-11,16-18H,12-15H2,1-3H3,(H,29,32)(H,31,36)"	""	""	""
"244"	"renzapride"	""	"Synthetic organic"	""	""	""	""	"135650894"	"3086547"	""	""	""	""	""	""	""	"4-amino-N-[(5S,6S)-1-azabicyclo[3.3.1]nonan-6-yl]-5-chloro-2-methoxybenzamide"	"renzapride"	"BRL 24924|BRL-24924"	"COc1cc(N)c(cc1C(=O)N[C@H]1CCN2C[C@@H]1CCC2)Cl"	"GZSKEXSLDPEFPT-HZMBPMFUSA-N"	"InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1"	""	""	""
"6841"	"repaglinide"	""	"Synthetic organic"	"yes"	""	""	""	"178103447"	"65981"	""	""	"CHEMBL1272"	""	""	""	""	"2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid"	"repaglinide"	"(-)-repaglinide|AGEE-623ZW|Prandin&reg;"	"CCOc1cc(ccc1C(=O)O)CC(=O)N[C@H](c1ccccc1N1CCCCC1)CC(C)C"	"FAEKWTJYAYMJKF-QHCPKHFHSA-N"	"InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1"	""	""	""
"8498"	"reparixin"	""	"Synthetic organic"	""	""	""	""	"252166706"	"9838712"	""	""	"CHEMBL191413"	""	""	""	""	"(2R)-2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide"	"reparixin"	"DF 1681Y|repertaxin"	"CC(Cc1ccc(cc1)[C@H](C(=O)NS(=O)(=O)C)C)C"	"KQDRVXQXKZXMHP-LLVKDONJSA-N"	"InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1"	"yes"	""	""
"14071"	"repibresib"	""	"Synthetic organic"	""	""	""	""	"518520698"	"155234495"	""	""	""	""	""	""	""	"4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one"	""	"example 1 [US20220204500]|TAY-B1|TAYB1"	"OC=1C(=C(C=CC1)C=2C3=C(C(N(C2)C)=O)NC=C3)OC4=CC=CC=C4"	"IYQNLEOCTFTMJE-UHFFFAOYSA-N"	"InChI=1S/C20H16N2O3/c1-22-12-16(14-10-11-21-18(14)20(22)24)15-8-5-9-17(23)19(15)25-13-6-3-2-4-7-13/h2-12,21,23H,1H3"	""	""	""
"12899"	"repinatrabit"	""	"Synthetic organic"	""	""	""	""	"485206020"	"168510630"	""	""	""	""	""	""	""	"(3R)-3-[1-cyclopropyl({[2-fluoro-4-(trifluoromethoxy)phenyl]methyl}carbamoyl)amino]piperidine-1-carboxamide"	"repinatrabit"	"JNT-517|JNT517"	"NC(=O)N1CCC[C@H](C1)N(C2CC2)C(=O)NCC3=CC=C(OC(F)(F)F)C=C3F"	"FNRHWODWSBDOOY-CYBMUJFWSA-N"	"InChI=1S/C18H22F4N4O3/c19-15-8-14(29-18(20,21)22)6-3-11(15)9-24-17(28)26(12-4-5-12)13-2-1-7-25(10-13)16(23)27/h3,6,8,12-13H,1-2,4-5,7,9-10H2,(H2,23,27)(H,24,28)/t13-/m1/s1"	""	""	""
"95"	"repinotan"	""	"Synthetic organic"	""	""	""	""	"135650895"	"198757"	""	""	"CHEMBL1614652"	""	""	""	""	"2-[4-[[(2R)-chroman-2-yl]methylamino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one"	"repinotan"	""	"O=C1c2ccccc2S(=O)(=O)N1CCCCNC[C@H]1CCc2c(O1)cccc2"	"YGYBFMRFXNDIPO-QGZVFWFLSA-N"	"InChI=1S/C21H24N2O4S/c24-21-18-8-2-4-10-20(18)28(25,26)23(21)14-6-5-13-22-15-17-12-11-16-7-1-3-9-19(16)27-17/h1-4,7-10,17,22H,5-6,11-15H2/t17-/m1/s1"	""	""	""
"10316"	"repotrectinib"	""	"Synthetic organic"	"yes"	""	""	""	"381744997"	"135565923"	""	""	""	""	""	""	""	"(3R,11S)-6-fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one"	"repotrectinib"	"Augtyro&reg;|example 93 [US20170334929A1]|TPX-0005|TPX0005"	"C[C@H]1CNC(=O)c2cnn3c2nc(N[C@@H](c2c(O1)ccc(c2)F)C)cc3"	"FIKPXCOQUIZNHB-WDEREUQCSA-N"	"InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1"	""	""	""
"10613"	"reproxalap"	""	"Synthetic organic"	""	""	""	""	"404859060"	"16088030"	""	""	""	""	""	""	""	"2-(3-amino-6-chloroquinolin-2-yl)propan-2-ol"	"reproxalap"	"ADX-102|ADX102|example 5 [WO2018039197A1]|NS-2|NS2"	"Clc1ccc2c(c1)cc(c(n2)C(O)(C)C)N"	"GUHFUVLKYSQIOQ-UHFFFAOYSA-N"	"InChI=1S/C12H13ClN2O/c1-12(2,16)11-9(14)6-7-5-8(13)3-4-10(7)15-11/h3-6,16H,14H2,1-2H3"	"yes"	""	""
"14075"	"repunapanor"	""	"Synthetic organic"	""	""	""	""	"518520702"	"130267600"	""	""	""	""	""	""	""	"1-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethyl]-3-[4-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethylcarbamoylamino]butyl]urea"	"repunapanor"	"Example 6-1 [US20170210736]|formula 123 [US20170210736]"	"ClC=1C=C2[C@@H](CN(CC2=C(C1)Cl)C)C=3C=C(C=CC3)C=4N=NN(C4)CCOCCOCCNC(NCCCCNC(=O)NCCOCCOCCN5N=NC(=C5)C6=CC(=CC=C6)[C@@H]7CN(CC8=C(C=C(C=C78)Cl)Cl)C)=O"	"SVUUQAVDVHVGLJ-ZYBCLOSLSA-N"	"InChI=1S/C54H66Cl4N12O6/c1-67-31-45(43-27-41(55)29-49(57)47(43)33-67)37-7-5-9-39(25-37)51-35-69(65-63-51)15-19-75-23-21-73-17-13-61-53(71)59-11-3-4-12-60-54(72)62-14-18-74-22-24-76-20-16-70-36-52(64-66-70)40-10-6-8-38(26-40)46-32-68(2)34-48-44(46)28-42(56)30-50(48)58/h5-10,25-30,35-36,45-46H,3-4,11-24,31-34H2,1-2H3,(H2,59,61,71)(H2,60,62,72)/t45-,46-/m0/s1"	""	""	""
"3911"	"RES7011"	""	"Peptide"	""	""	""	""	"178100744"	"0"	""	""	""	""	""	""	""	""	""	"RES 701-1|RES-701-1"	""	""	""	""	""	""
"9036"	"resatorvid"	""	"Synthetic organic"	""	""	""	""	"315661121"	"11703255"	""	""	"CHEMBL225157"	""	""	""	""	"ethyl (6R)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate"	"resatorvid"	"TAK-242|TAK242"	"CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(cc1Cl)F"	"LEEIJTHMHDMWLJ-CQSZACIVSA-N"	"InChI=1S/C15H17ClFNO4S/c1-2-22-15(19)11-5-3-4-6-14(11)23(20,21)18-13-8-7-10(17)9-12(13)16/h5,7-9,14,18H,2-4,6H2,1H3/t14-/m1/s1"	"yes"	""	""
"7098"	"rescinnamine"	""	"Natural product"	"yes"	""	""	""	"178103676"	"5280954"	""	""	"CHEMBL1668"	""	""	""	""	"methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate"	"rescinnamine"	""	"COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC"	"SZLZWPPUNLXJEA-QEGASFHISA-N"	"InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1"	""	""	""
"12381"	"resencatinib"	""	"Synthetic organic"	""	""	""	""	"479821172"	"155296110"	""	""	""	""	""	""	""	"6-[(2R)-2-hydroxy-2-methylbut-3-ynoxy]-4-[6-[6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile"	"resencatinib"	"Example 152 [WO2020228756A1]"	"C[C@](COc1cn2c(c(cn2)C#N)c(c1)c1cnc(cc1)N1CC2CC(C1)N2Cc1cnc(cc1)OC)(C#C)O"	"WNPSOODWDSNATA-DPHZAUTASA-N"	"InChI=1S/C30H29N7O3/c1-4-30(2,38)19-40-25-10-26(29-22(11-31)14-34-37(29)18-25)21-6-7-27(32-13-21)35-16-23-9-24(17-35)36(23)15-20-5-8-28(39-3)33-12-20/h1,5-8,10,12-14,18,23-24,38H,9,15-17,19H2,2-3H3/t23?,24?,30-/m1/s1"	""	""	""
"4823"	"reserpine"	""	"Synthetic organic"	"yes"	""	""	""	"178101525"	"5770"	""	""	"CHEMBL772"	""	""	""	""	"methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate"	"reserpine"	"Serpalan&reg;"	"COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC"	"QEVHRUUCFGRFIF-MDEJGZGSSA-N"	"InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1"	""	""	""
"12874"	"resigratinib"	""	"Synthetic organic"	""	""	""	""	"485205995"	"162381323"	""	""	""	""	""	""	""	"3-[2-(1-cyclopropyl-4,6-difluorobenzimidazol-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)-1-prop-2-enoylpyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide"	""	"Example 78 [WO2021247969A1]|KIN-3248|KIN3248"	"C1(CC1)N2C=NC3=C2C=C(C(=C3F)C#CC4=NN(C(=C4C(=O)N)NC)[C@@H]5CN([C@H](C5)COC)C(C=C)=O)F"	"YXVDEILMUVTDMK-JKSUJKDBSA-N"	"InChI=1S/C26H27F2N7O3/c1-4-21(36)33-11-15(9-16(33)12-38-3)35-26(30-2)22(25(29)37)19(32-35)8-7-17-18(27)10-20-24(23(17)28)31-13-34(20)14-5-6-14/h4,10,13-16,30H,1,5-6,9,11-12H2,2-3H3,(H2,29,37)/t15-,16+/m0/s1"	""	""	""
"2491"	"resiniferatoxin"	""	"Natural product"	""	""	""	""	"53801085"	"5702546"	""	""	"CHEMBL17976"	""	""	""	""	""	""	"RTX"	"COc1cc(ccc1O)CC(=O)OCC1=C[C@H]2[C@H]3O[C@]4(O[C@]2([C@H]2[C@@](C1)(O)C(=O)C(=C2)C)[C@@H](C[C@@]3(O4)C(=C)C)C)Cc1ccccc1"	"DSDNAKHZNJAGHN-MXTYGGKSSA-N"	"InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1"	""	""	""
"5051"	"resiquimod"	""	"Synthetic organic"	""	""	""	""	"178101746"	"159603"	""	""	"CHEMBL383322"	""	""	""	""	"1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol"	"resiquimod"	"R-848|R848"	"CCOCc1nc2c(n1CC(O)(C)C)c1ccccc1nc2N"	"BXNMTOQRYBFHNZ-UHFFFAOYSA-N"	"InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)"	"yes"	""	""
"8091"	"reslizumab"	""	"Antibody"	"yes"	""	""	""	"249565771"	"0"	""	""	""	""	""	""	""	""	"reslizumab"	"CDP-835|CDP835|Cinqaero&reg;|Cinqair&reg;|JES1-39D10|SCH55700"	""	""	""	"yes"	""	""
"12026"	"resmetirom"	""	"Synthetic organic"	"yes"	""	""	""	"464244167"	"15981237"	""	""	"CHEMBL3261331"	""	""	""	""	"2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile"	"resmetirom"	"compound 53 [PMID: 24712661]|MGL-3196|MGL3196|Rezdiffra&reg;|VIA-3196|VIA3196"	"Clc1cc(cc(c1Oc1n[nH]c(=O)c(c1)C(C)C)Cl)n1nc(c(=O)[nH]c1=O)C#N"	"FDBYIYFVSAHJLY-UHFFFAOYSA-N"	"InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)"	""	""	""
"7502"	"resminostat"	""	"Synthetic organic"	""	""	""	""	"187051804"	"11609955"	""	""	""	""	""	""	""	"(E)-3-[1-[4-(dimethylaminomethyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide"	"resminostat"	"4SC-201|BYK408740|RAS2410"	"ONC(=O)/C=C/c1ccn(c1)S(=O)(=O)c1ccc(cc1)CN(C)C"	"FECGNJPYVFEKOD-VMPITWQZSA-N"	"InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+"	""	""	""
"8736"	"resokine"	""	"Peptide"	""	""	""	""	"252827394"	"0"	""	""	""	""	""	""	""	""	""	"aTyr 1920|HisRSN4|HRS(1-60)"	""	""	""	""	""	""
"3934"	"resolvin D1"	""	"Metabolite"	""	""	""	""	"178100762"	"73755062"	""	""	""	""	""	""	""	"(4Z,7S,8S,9E,11E,13Z,15E,17S,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid"	""	"7S,8R,17S‐trihydroxy‐4Z,9E,11E,13Z,15E,19Z‐docosahexaenoic acid|RvD1"	"CC/C=C\C[C@@H](/C=C/C=C\C=C\C=C\[C@@H]([C@H](C/C=C\CCC(=O)O)O)O)O"	"OIWTWACQMDFHJG-LDOXQWQISA-N"	"InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20-,21-/m0/s1"	"yes"	""	""
"5417"	"resolvin D2"	""	"Metabolite"	""	""	""	""	"178102070"	"16061136"	""	""	""	""	""	""	""	"(4Z,7R,8E,10Z,12E,14E,17S,19Z)-7,16,17-trihydroxydocosa-4,8,10,12,14,19-hexaenoic acid"	""	""	"CC/C=C\C[C@@H](C(/C=C/C=C/C=C\C=C\[C@@H](C/C=C\CCC(=O)O)O)O)O"	"IKFAUGXNBOBQDM-GIINMYNKSA-N"	"InChI=1S/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20-,21?/m0/s1"	"yes"	""	""
"14158"	"resolvin D3"	""	"Synthetic organic"	""	""	""	""	"518520785"	"71665428"	""	""	""	""	""	""	""	"4S,11R,17S-trihydroxy-5Z,7E,9E,13Z,15E,19Z-docosahexaenoic acid"	""	"RvD3"	"O[C@@H](CCC(O)=O)/C=C\C=C\C=C\[C@H](O)C/C=C\C=C\[C@@H](O)C/C=C\CC"	"QBTJOLCUKWLTIC-UZAFJXHNSA-N"	"InChI=1S/C22H32O5/c1-2-3-7-12-19(23)14-10-6-11-15-20(24)13-8-4-5-9-16-21(25)17-18-22(26)27/h3-11,13-14,16,19-21,23-25H,2,12,15,17-18H2,1H3,(H,26,27)/b5-4+,7-3-,11-6-,13-8+,14-10+,16-9-/t19-,20-,21+/m0/s1"	""	""	""
"3333"	"resolvin E1"	""	"Metabolite"	""	""	""	""	"178100364"	"10473088"	""	""	"CHEMBL1742483"	""	""	""	""	"(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid"	""	"5S,12R,18R‐trihydroxy‐6Z,8E,10E,14Z,16E‐eicosapentaenoic acid|RvE1"	"CC[C@H](/C=C/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O)O"	"AOPOCGPBAIARAV-OTBJXLELSA-N"	"InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18+,19-/m1/s1"	"yes"	""	""
"14217"	"RESP-X"	""	"Antibody"	""	""	""	""	"521588857"	"0"	""	""	""	""	""	""	""	""	""	"COT-143|INFEX702"	""	""	""	""	""	"yes"
"8741"	"resveratrol"	""	"Natural product"	""	""	""	""	"252827399"	"445154"	""	""	"CHEMBL165"	""	""	""	""	"5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol"	"resveratrol"	"3,4',5-stilbenetriol|3,5,4'-trihydroxystilbene|trans-resveratrol"	"Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O"	"LUKBXSAWLPMMSZ-OWOJBTEDSA-N"	"InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+"	"yes"	""	""
"11035"	"retapamulin"	""	"Synthetic organic"	"yes"	""	""	""	"405560476"	"6918462"	""	""	"CHEMBL1658"	""	""	""	""	""	"retapamulin"	"Altabax&reg;|Altargo&reg;|SB-275833|SB275833"	"C=C[C@]1(C)C[C@@H](OC(=O)CSC2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3"	"STZYTFJPGGDRJD-FJJJPKKESA-N"	"InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22?,24-,26+,27+,28-,29+,30+/m1/s1"	""	""	"yes"
"9827"	"retaspimycin hydrochloride"	""	"Synthetic organic"	""	""	""	""	"354702298"	"11685945"	""	""	""	""	""	""	""	"[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6,20,22-trihydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16-oxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] carbamate;hydrochloride"	""	"17-AAG (hydrochloride)|17-Allylamino-17-demethoxygeldanamycin (hydrochloride)|IPI-504|IPI504"	"C=CCNc1c(O)cc2c(c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)/[C@@H]([C@H](/C=C\C=C(\C(=O)N2)/C)OC)OC(=O)N)O.Cl"	"OIRUWDYJGMHDHJ-AFXVCOSJSA-N"	"InChI=1S/C31H45N3O8.ClH/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35;/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38);1H/b11-9-,18-10+,20-15+;/t17-,19+,24+,25+,27-,29+;/m1./s1"	""	""	""
"13769"	"retatrutide"	""	"Peptide"	""	""	""	""	"507750402"	"171390338"	""	""	""	""	""	""	""	""	"retatrutide"	"LY-3437943|LY3437943|Triple G"	"CC[C@H](C)C(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@](C)(CC(C)C)NC(=O)C([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)C(C)(C)NC(=O)[C@H](CC9=CC=C(C=C9)O)N"	"MLOLQJNKXBNWFW-SAGGEDDASA-N"	"InChI=1S/C221H342N46O68/c1-23-124(11)179(208(322)241-144(83-88-176(291)292)192(306)245-150(105-134-69-75-137(276)76-70-134)196(310)244-148(100-121(5)6)194(308)243-147(99-120(3)4)193(307)240-142(82-87-175(289)290)187(301)230-110-169(282)229-113-173(286)264-92-51-61-161(264)206(320)253-158(116-270)203(317)251-157(115-269)189(303)232-111-170(283)233-128(15)212(326)266-94-53-63-163(266)214(328)267-95-54-64-164(267)213(327)265-93-52-62-162(265)207(321)250-156(114-268)183(226)297)258-200(314)152(103-131-55-41-39-42-56-131)242-185(299)127(14)235-216(331)219(18,19)262-205(319)145(80-85-166(225)279)237-184(298)126(13)234-190(304)140(60-48-50-90-227-172(285)119-335-98-97-334-96-91-228-167(280)86-81-146(215(329)330)236-168(281)65-45-37-35-33-31-29-27-25-26-28-30-32-34-36-38-46-66-174(287)288)238-191(305)141(59-47-49-89-222)239-198(312)154(107-177(293)294)247-195(309)149(101-122(7)8)256-218(333)221(22,109-123(9)10)263-211(325)180(125(12)24-2)259-204(318)160(118-272)252-197(311)151(106-135-71-77-138(277)78-72-135)246-199(313)155(108-178(295)296)248-202(316)159(117-271)254-210(324)182(130(17)274)260-201(315)153(104-132-57-43-40-44-58-132)249-209(323)181(129(16)273)257-171(284)112-231-188(302)143(79-84-165(224)278)255-217(332)220(20,21)261-186(300)139(223)102-133-67-73-136(275)74-68-133/h39-44,55-58,67-78,120-130,139-164,179-182,268-277H,23-38,45-54,59-66,79-119,222-223H2,1-22H3,(H2,224,278)(H2,225,279)(H2,226,297)(H,227,285)(H,228,280)(H,229,282)(H,230,301)(H,231,302)(H,232,303)(H,233,283)(H,234,304)(H,235,331)(H,236,281)(H,237,298)(H,238,305)(H,239,312)(H,240,307)(H,241,322)(H,242,299)(H,243,308)(H,244,310)(H,245,306)(H,246,313)(H,247,309)(H,248,316)(H,249,323)(H,250,321)(H,251,317)(H,252,311)(H,253,320)(H,254,324)(H,255,332)(H,256,333)(H,257,284)(H,258,314)(H,259,318)(H,260,315)(H,261,300)(H,262,319)(H,263,325)(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,329,330)/t124-,125-,126-,127-,128-,129+,130+,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,179?,180?,181-,182-,221+/m0/s1"	""	""	""
"11583"	"retifanlimab"	""	"Antibody"	"yes"	""	""	""	"442878617"	"0"	""	""	""	""	""	""	""	""	"retifanlimab"	"hPD-1 mAb 7(1.2)|INCMGA0012|MGA012|retifanlimab-dlwr|Zynyz&reg;"	""	""	""	"yes"	""	""
"2601"	"retigabine"	""	"Synthetic organic"	"yes"	"yes"	""	""	"135650896"	"121892"	""	""	"CHEMBL41355"	""	""	""	""	"ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate"	"retigabine"	"AWD-21360|D-23129|ezogabine|Potiga&reg;|Trobalt&reg;|WAY-143841"	"CCOC(=O)Nc1ccc(cc1N)NCc1ccc(cc1)F"	"PCOBBVZJEWWZFR-UHFFFAOYSA-N"	"InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)"	""	""	""
"11479"	"retigabine derivative 10g"	""	"Synthetic organic"	""	""	""	""	"440816847"	"155567226"	""	""	"CHEMBL4588394"	""	""	""	""	"tert-butyl N-[2-(ethoxycarbonylamino)-5-[(4-fluorophenyl)methyl-prop-2-ynylamino]phenyl]carbamate"	""	"compound 10g [PMID: 30655942]"	"CCOC(=O)Nc1ccc(cc1NC(=O)OC(C)(C)C)N(Cc1ccc(cc1)F)CC#C"	"FWQHRZXEQNUCSY-UHFFFAOYSA-N"	"InChI=1S/C24H28FN3O4/c1-6-14-28(16-17-8-10-18(25)11-9-17)19-12-13-20(26-22(29)31-7-2)21(15-19)27-23(30)32-24(3,4)5/h1,8-13,15H,7,14,16H2,2-5H3,(H,26,29)(H,27,30)"	""	""	""
"5253"	"retinoblastoma-associated protein"	"Human"	"Peptide"	""	""	""	""	"178101937"	"0"	"P06400"	"ENSG00000139687"	""	""	""	""	""	""	""	"pRb|Rb|retinoblastoma cell cycle regulation protein"	""	""	""	""	""	""
"4053"	"retinol"	""	"Metabolite"	""	""	""	""	"178100877"	"445354"	""	""	"CHEMBL986"	""	""	""	""	"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraen-1-ol"	"retinol"	"all-trans-retinol"	"OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C"	"FPIPGXGPPPQFEQ-OVSJKPMPSA-N"	"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+"	""	""	""
"14515"	"retlirafusp alfa"	""	"Antibody"	"yes"	""	""	""	"528429836"	"0"	""	""	""	""	""	""	""	""	"retlirafusp alfa"	"Ezeli&reg; (China)|SHR-1701|SHR1701"	""	""	""	"yes"	""	""
"8403"	"retosiban"	""	"Synthetic organic"	""	""	""	""	"252166613"	"11340891"	""	""	"CHEMBL429736"	""	""	""	""	"(3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione"	"retosiban"	"GSK-221,149-A|GSK-221149A|GSK221149A"	"CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C"	"PLVGDGRBPMVYPB-FDUHJNRSSA-N"	"InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1"	""	""	""
"9865"	"revamilast"	""	"Synthetic organic"	""	""	""	""	"363894159"	"11546664"	""	""	""	""	""	""	""	"N-(3,5-dichloro-1-hydroxypyridin-4-ylidene)-6-(difluoromethoxy)-[1]benzoxolo[3,2-c]pyridine-9-carboxamide"	"revamilast"	"Example 26 [WO2006064355A2]|GRC 4039|GRC-4039|GRC4039"	"FC(Oc1ccc(c2c1oc1c2cncc1)C(=O)N=c1c(Cl)cn(cc1Cl)O)F"	"CFRXVFRHMZLQBS-UHFFFAOYSA-N"	"InChI=1S/C18H9Cl2F2N3O4/c19-10-6-25(27)7-11(20)15(10)24-17(26)8-1-2-13(29-18(21)22)16-14(8)9-5-23-4-3-12(9)28-16/h1-7,18,27H"	"yes"	""	""
"12007"	"revaprazan"	""	"Synthetic organic"	"yes"	""	""	""	"464244148"	"204104"	""	""	"CHEMBL1618279"	""	""	""	""	""	"revaprazan"	"Revanex&reg;|YH-1885|YH1885"	"CC1c2ccccc2CCN1c1nc(nc(c1C)C)Nc1ccc(cc1)F"	"LECZXZOBEZITCL-UHFFFAOYSA-N"	"InChI=1S/C22H23FN4/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3/h4-11,16H,12-13H2,1-3H3,(H,24,25,26)"	""	""	""
"10129"	"revefenacin"	""	"Synthetic organic"	"yes"	""	""	""	"381118839"	"11753673"	""	""	"CHEMBL3833319"	""	""	""	""	"[1-[2-[[4-[(4-carbamoylpiperidin-1-yl)methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate"	"revefenacin"	"GSK-1160724|GSK1160724|TD4208|Yupelri&reg;"	"O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C"	"FYDWDCIFZSGNBU-UHFFFAOYSA-N"	"InChI=1S/C35H43N5O4/c1-38(34(42)29-13-11-26(12-14-29)25-40-19-15-28(16-20-40)33(36)41)23-24-39-21-17-30(18-22-39)44-35(43)37-32-10-6-5-9-31(32)27-7-3-2-4-8-27/h2-14,28,30H,15-25H2,1H3,(H2,36,41)(H,37,43)"	""	""	""
"11882"	"revumenib"	""	"Synthetic organic"	"yes"	""	""	""	"461663438"	"132212657"	""	""	"CHEMBL4650827"	""	""	""	""	""	"revumenib"	"Revuforj&reg;|SNDX-5613|SNDX5613"	"C(C)S(=O)(=O)N[C@@H]1CC[C@H](CC1)CN1CCC2(CN(C2)c2ncncc2Oc2c(C(=O)N(C(C)C)CC)cc(cc2)F)CC1"	"FRVSRBKUQZKTOW-YOCNBXQISA-N"	"InChI=1S/C32H47FN6O4S/c1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2/h9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3/t24-,26-"	""	""	""
"13631"	"revusiran"	""	"Nucleic acid"	""	""	""	""	"504705450"	"0"	""	""	"CHEMBL4594492"	""	""	""	""	""	"revusiran"	"AD-51547|ALN-TTRSC"	""	""	""	""	""	""
"14509"	"rezatapopt"	""	"Synthetic organic"	""	""	""	""	"528429830"	"156195543"	""	""	"CHEMBL5314538"	""	""	""	""	"4-[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-methylbenzamide"	"rezatapopt"	"compound 26 [PMID: 39811143]|PC-14586|PC14586"	"CNC(=O)C1=CC(=C(C=C1)NCC#CC2=CC3=C(C=CC=C3N2CC(F)(F)F)N[C@@H]4CCN(C[C@@H]4F)C)OC"	"NKRKBSQLUPEVCZ-JTHBVZDNSA-N"	"InChI=1S/C28H31F4N5O2/c1-33-27(38)18-9-10-24(26(14-18)39-3)34-12-5-6-19-15-20-22(35-23-11-13-36(2)16-21(23)29)7-4-8-25(20)37(19)17-28(30,31)32/h4,7-10,14-15,21,23,34-35H,11-13,16-17H2,1-3H3,(H,33,38)/t21-,23+/m0/s1"	""	""	""
"14626"	"reziciclideg"	""	"Synthetic organic"	""	""	""	""	"530846874"	"176885913"	""	""	""	""	""	""	""	"3-[4-[4-[2-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]phenyl]piperidine-2,6-dione"	"reziciclideg"	"compound B201 [WO2023220640]"	"O=C1C(C(=O)C)=C(C=2C=NC(=NC2N1C3CCCC3)NC4=NC=C(C=C4)N5CCC(CC5)CCN6CCN(C7=CC=C(C=C7)C8C(=O)NC(=O)CC8)CC6)C"	"CSBZXBPFGOKMKW-UHFFFAOYSA-N"	"InChI=1S/C42H51N9O4/c1-27-35-26-44-42(47-39(35)51(32-5-3-4-6-32)41(55)38(27)28(2)52)45-36-13-11-33(25-43-36)49-19-16-29(17-20-49)15-18-48-21-23-50(24-22-48)31-9-7-30(8-10-31)34-12-14-37(53)46-40(34)54/h7-11,13,25-26,29,32,34H,3-6,12,14-24H2,1-2H3,(H,46,53,54)(H,43,44,45,47)"	""	""	""
"10628"	"rezivertinib"	""	"Synthetic organic"	"yes"	""	""	""	"404859075"	"118912975"	""	""	""	""	""	""	""	""	"rezivertinib"	"example 1 [WO2016094821A2]"	"C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(cc1OCCN(C)C)OC"	"BPMZUKYFIDPLEA-UHFFFAOYSA-N"	"InChI=1S/C27H30N6O3/c1-6-26(34)29-22-15-21(24(35-5)16-25(22)36-14-13-32(2)3)31-27-28-12-11-20(30-27)19-17-33(4)23-10-8-7-9-18(19)23/h6-12,15-17H,1,13-14H2,2-5H3,(H,29,34)(H,28,30,31)"	""	""	""
"14521"	"rezorstobart"	""	"Antibody"	""	""	""	""	"528429842"	"0"	""	""	""	""	""	""	""	""	""	""	""	""	""	"yes"	""	""
"12798"	"rezvilutamide"	""	"Synthetic organic"	"yes"	""	""	""	"483123346"	"89995232"	""	""	"CHEMBL4650276"	""	""	""	""	"4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile"	"rezvilutamide"	"Ariane&reg;|example 44 [WO2014036897A1]|SHR-3680|SHR3680"	"CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)OC[C@H](CO)O)C3=CC(=C(C=C3)C#N)C(F)(F)F)C"	"KRBMOYIWQCZVHA-INIZCTEOSA-N"	"InChI=1S/C22H20F3N3O4S/c1-21(2)19(31)27(15-4-3-13(10-26)18(9-15)22(23,24)25)20(33)28(21)14-5-7-17(8-6-14)32-12-16(30)11-29/h3-9,16,29-30H,11-12H2,1-2H3/t16-/m0/s1"	""	""	""
"1486"	"RF9"	""	"Peptide"	""	""	""	""	"135652436"	"53320361"	""	""	"CHEMBL1672380"	""	""	""	""	""	""	"1-Adamantanecarbonyl-RF-NH2"	"NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3"	"UMKHUSRDQFQHAK-RNJMTYCLSA-N"	"InChI=1S/C26H38N6O3/c27-22(33)21(12-16-5-2-1-3-6-16)31-23(34)20(7-4-8-30-25(28)29)32-24(35)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-3,5-6,17-21H,4,7-15H2,(H2,27,33)(H,31,34)(H,32,35)(H4,28,29,30)/t17?,18?,19?,20-,21-,26?/m0/s1"	""	""	""
"5340"	"RFRP-1"	"Human"	"Peptide"	""	""	""	""	"178102004"	"0"	"Q9HCQ7"	"ENSG00000105954"	""	""	""	""	""	""	""	"neuropeptide RFRP-1"	""	""	""	""	""	""
"5373"	"RFRP-2"	"Human"	"Peptide"	""	""	""	""	"178102032"	"102162394"	"Q9HCQ7"	"ENSG00000105954"	""	""	""	""	""	""	""	"neuropeptide RFRP-2"	"CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)O"	"VKPILWKQJZPQOB-LBVMNVMQSA-N"	"InChI=1S/C48H84N16O17/c1-21(2)15-29(42(75)58-28(11-9-13-53-48(51)52)41(74)62-32(20-66)47(80)81)60-44(77)33-12-10-14-64(33)46(79)31(16-22(3)4)61-43(76)30(17-34(50)68)59-38(71)25(7)57-45(78)36(26(8)67)63-39(72)24(6)55-35(69)18-54-37(70)23(5)56-40(73)27(49)19-65/h21-33,36,65-67H,9-20,49H2,1-8H3,(H2,50,68)(H,54,70)(H,55,69)(H,56,73)(H,57,78)(H,58,75)(H,59,71)(H,60,77)(H,61,76)(H,62,74)(H,63,72)(H,80,81)(H4,51,52,53)/t23-,24-,25-,26+,27-,28-,29-,30-,31-,32-,33-,36-/m0/s1"	""	""	""
"4016"	"RFRP-3"	"Human"	"Peptide"	""	""	""	""	"178100842"	"0"	"Q9HCQ7"	"ENSG00000105954"	""	""	""	""	""	""	""	"neuropeptide RFRP-3|NPVF"	""	""	""	""	""	""
"10361"	"RG-1530"	""	"Synthetic organic"	""	""	""	""	"384403641"	"135398512"	""	""	"CHEMBL1980391"	""	""	""	""	"5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine"	""	"compound 2 [PMID: 24900658]|R-1530|R1530|RG1530"	"COc1cc2[nH]c3n[nH]c(c3nc(c2cc1F)c1ccccc1Cl)C"	"UOVCGJXDGOGOCZ-UHFFFAOYSA-N"	"InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24)"	""	""	""
"9599"	"RG7112"	""	"Synthetic organic"	""	""	""	""	"340590229"	"57406853"	""	""	"CHEMBL2386346"	""	""	""	""	"[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-(3-methylsulfonylpropyl)piperazin-1-yl]methanone"	""	""	"CCOc1cc(ccc1C1=N[C@@]([C@@](N1C(=O)N1CCN(CC1)CCCS(=O)(=O)C)(C)c1ccc(cc1)Cl)(C)c1ccc(cc1)Cl)C(C)(C)C"	"QBGKPEROWUKSBK-QPPIDDCLSA-N"	"InChI=1S/C38H48Cl2N4O4S/c1-8-48-33-26-29(36(2,3)4)14-19-32(33)34-41-37(5,27-10-15-30(39)16-11-27)38(6,28-12-17-31(40)18-13-28)44(34)35(45)43-23-21-42(22-24-43)20-9-25-49(7,46)47/h10-19,26H,8-9,20-25H2,1-7H3/t37-,38+/m0/s1"	"yes"	""	""
"7744"	"RGB-286638"	""	"Synthetic organic"	""	""	""	""	"223366077"	"11285002"	""	""	""	""	""	""	""	"1-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea"	""	"RGB 286638|RGB286638"	"COCCN1CCN(CC1)Cc1ccc(cc1)c1n[nH]c2c1C(=O)c1c2cccc1NC(=O)NN1CCOCC1"	"XLSYZSRXVVCHLS-UHFFFAOYSA-N"	"InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38)"	""	""	""
"7501"	"RGFP109"	""	"Synthetic organic"	""	""	""	""	"187051803"	"56654642"	""	""	""	""	""	""	""	"N-(2-aminophenyl)-6-[(4-methylphenyl)formamido]hexanamide"	""	"RG-2833|RG2833|RGFP-109"	"O=C(Nc1ccccc1N)CCCCCNC(=O)c1ccc(cc1)C"	"VOPDXHFYDJAYNS-UHFFFAOYSA-N"	"InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)"	""	""	""
"7500"	"RGFP966"	""	"Synthetic organic"	""	""	""	""	"187051802"	"56650312"	""	""	""	""	""	""	""	"(2E)-N-(2-