FULL DB

Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )

STK844468
Synonyms: 4-{(2Z)-2-[3-chloro-2-(4-methylphenyl)-5-phenyl-1-benzoxepin-4(5H)-ylidene]ethyl}morpholine
Smiles: Cc1ccc(cc1)C1=C(Cl)/C(=C\CN2CCOCC2)/C(c2c(O1)cccc2)c1ccccc1

STK552105
Synonyms: N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine
Smiles: CC[C@@H]([C@@H](C(=O)O)Nc1nc(Cc2ccccc2)nc2c1c1CCCCc1s2)C

STK552106
Synonyms: 4-[(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]butanoicacid
Smiles: COc1cc(ccc1O)/C=C/1\SC(=O)N(C1=O)CCCC(=O)O

STK552107
Synonyms: methyl4-{[2-(pyridin-2-yl)quinazolin-4-yl]oxy}benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccn1

STK844470
Synonyms: 5-methoxy-2-[(2E)-3-(4-methylphenyl)prop-2-enoyl]phenylmorpholine-4-carboxylate
Smiles: COc1ccc(c(c1)OC(=O)N1CCOCC1)C(=O)/C=C/c1ccc(cc1)C

STK552116
Synonyms: 2-[(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoicacid
Smiles: CSCCC(N1C(=S)S/C(=C\c2ccc(c(c2)OC)O)/C1=O)C(=O)O

STK552117
Synonyms: 3-bromo-2-oxo-N-(pyridin-3-ylmethyl)-2H-pyran-5-carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)NCc1cccnc1

STK552119
Synonyms: 4-[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]benzoicacid
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)c2ccc(cc2)C(=O)O)cc(c1OC)OC

STK552122
Synonyms: (5Z)-2-[(3-chlorophenyl)amino]-5-(2-methoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: COc1ccccc1/C=C/1\SC(=NC1=O)Nc1cccc(c1)Cl

STK552126
Synonyms: (2Z)-[2-(4-bromophenyl)hydrazinylidene][4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)Br)/c1scc(n1)c1ccc(cc1)Cl

STK552131
Synonyms: 2-methoxyethyl5-cyano-4-(furan-2-yl)-2-methyl-6-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK552133
Synonyms: 2-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1OC(C)CN(C1)c1nc(Nc2ccc(cc2)F)c(c(n1)N)[N+](=O)[O-]

STK844473
Synonyms: 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine
Smiles: FC(c1nnc(s1)N1CCCCC1)(F)F

STK552140
Synonyms: N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetamide
Smiles: COCC(N(c1c(C)cccc1CC)C(=O)Cn1c(=O)[nH]c2c1cccc2)C

STK552141
Synonyms: 4-[4-(prop-2-en-1-yloxy)phenyl]-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
Smiles: C=CCOc1ccc(cc1)C1NC(=S)NC2=C1CCc1c2cccc1

STK552142
Synonyms: N-[(5Z)-5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-hydroxybenzamide
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)O

STK552143
Synonyms: N-(2,5-dimethoxyphenyl)-4-{[2-(pyridin-4-yl)quinazolin-4-yl]oxy}benzamide
Smiles: COc1ccc(c(c1)NC(=O)c1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccncc1)OC

STK844474
Synonyms: 2-[(Z)-(5-bromo-1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-(3-hydroxypropyl)quinazolin-4(3H)-one
Smiles: OCCCn1c(/C=C\2/c3cc(Br)ccc3N(C2=O)CC)nc2c(c1=O)cccc2

STK552145
Synonyms: 4-{5-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl}pyridine
Smiles: Clc1ccc(cc1)n1c(SCc2c(F)cccc2Cl)nnc1c1ccncc1

STK844476
Synonyms: N-(3-cyano-5-ethyl-5-methyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)propanamide
Smiles: CCC(=O)Nc1sc2c(c1C#N)CC(OC2)(C)CC

STK552146
Synonyms: 4-chloro-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}benzamide
Smiles: S=C(NC(=O)c1ccc(cc1)Cl)NN1CCCCC1c1cccnc1

STK552147
Synonyms: ethyl3-(1,3-benzothiazol-2-yl)-7-{[(2-methoxyphenyl)carbonyl]oxy}-4-oxo-4H-chromene-2-carboxylate
Smiles: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)c1ccccc1OC

STK552148
Synonyms: N~4~-(4-chlorophenyl)-5-nitro-N~2~-phenylpyrimidine-2,4,6-triamine
Smiles: Clc1ccc(cc1)Nc1nc(Nc2ccccc2)nc(c1[N+](=O)[O-])N

STK844478
Synonyms: 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)OC)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1F)C

STK552159
Synonyms: 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CCCC(C1)C)c1ccc(c(c1)OC)OC

STK552160
Synonyms: 4-(2,6-dimethylmorpholin-4-yl)-5H-pyrimido[5,4-b]indole
Smiles: CC1OC(C)CN(C1)c1ncnc2c1[nH]c1c2cccc1

STK552163
Synonyms: ethyl3-{[3-(4-carbamoylpiperidin-1-yl)propanoyl]amino}-5,6-dimethoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C(=O)N)cc(c(c2)OC)OC

STK552166
Synonyms: 4-bromo-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}benzamide
Smiles: S=C(NC(=O)c1ccc(cc1)Br)NN1CCCCC1c1cccnc1

STK844480
Synonyms: N~4~-(4-methoxyphenyl)-N~2~,N~2~-dimethyl-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N(C)C

STK552173
Synonyms: ethyl2-({(Z)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C\Nc1sc2c(c1C(=O)OCC)CCCC2)/C#N

STK844481
Synonyms: (5Z)-5-(4-hydroxy-3-methoxybenzylidene)-2-[(3-methylphenyl)amino]-1,3-thiazol-4(5H)-one
Smiles: COc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1cccc(c1)C

STK844484
Synonyms: methyl2-({(E)-2-cyano-2-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Smiles: N#C/C(=C\Nc1ccccc1C(=O)OC)/c1scc(n1)c1cccs1

STK552197
Synonyms: 2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2CC)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2

STK844488
Synonyms: 4-{(Z)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl}-2,6-dimethoxyphenylacetate
Smiles: N#C/C(=C/c1cc(OC)c(c(c1)OC)OC(=O)C)/c1scc(n1)c1ccc(c(c1)OC)OC

STK552201
Synonyms: methyl4-{(Z)-2-cyano-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}benzoate
Smiles: N#C/C(=C/c1ccc(cc1)C(=O)OC)/c1scc(n1)c1cc2ccccc2oc1=O

STK552205
Synonyms: 3-(4-bromophenyl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-4H-chromen-4-one
Smiles: Brc1ccc(cc1)c1coc2c(c1=O)ccc(c2CN1CCCCC1C)O

STK552209
Synonyms: 2-methoxyethyl4-(4-chlorophenyl)-5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(cc1)F

STK844490
Synonyms: ethyl2-({(E)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Smiles: CCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1cccc(c1)[N+](=O)[O-])\C#N

STK552214
Synonyms: tert-butyl(8R,8aS,11aR)-10-(4-bromophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxylate
Smiles: Brc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=N1)C(=O)OC(C)(C)C

STK552219
Synonyms: 5-cyano-4-(furan-2-yl)-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)c2ccccc2)NC(=C(C1c1ccco1)C(=O)Nc1cccc(c1)C(F)(F)F)C

STK844495
Synonyms: 4-chloro-N-[(5Z)-5-(2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)Cl

STK552225
Synonyms: 4-(3,5-dibromo-4-hydroxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(SC)NC(=O)CC1c1cc(Br)c(c(c1)Br)O

STK552227
Synonyms: 2-methoxyethyl4-(4-chlorophenyl)-5-cyano-2-methyl-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1cccc(c1)C

STK844496
Synonyms: N~2~-(2-methoxyethyl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COCCNc1nc(Nc2ccc(cc2)OC)c(c(n1)N)[N+](=O)[O-]

STK844498
Synonyms: (2Z)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1F)Br)/c1scc(n1)c1ccc(c(c1)OC)OC

STK552235
Synonyms: 4-{[7-(dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol
Smiles: Oc1ccc(cc1)Nc1cc(N(C)C)c2c(c1[N+](=O)[O-])non2

STK552236
Synonyms: 4-(3,5-dimethylpiperidin-1-yl)-8-methoxy-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CC(C)CC(C1)C

STK552238
Synonyms: 2-{4-[(2-methoxyphenyl)amino]-4-oxobutan-2-yl}hexanoicacid
Smiles: CCCCC(C(CC(=O)Nc1ccccc1OC)C)C(=O)O

STK552239
Synonyms: N-carbamoyl-4-({(E)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)NC(=O)N)/c1scc(n1)c1ccc(cc1)F

STK552240
Synonyms: ethyl5-{2-[(2E)-2-(3-chlorobenzylidene)hydrazinyl]-2-oxoethoxy}-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OCC(=O)N/N=C/c1cccc(c1)Cl)cc2)C

STK552248
Synonyms: 5-(1H-benzimidazol-2-ylmethylidene)-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCN1C(=O)C(=Cc2nc3c([nH]2)cccc3)C(=O)N(C1=S)CC

STK552249
Synonyms: 2-chloro-N-[(1E)-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl]benzamide
Smiles: O=C(/C(=C\c1cccnc1)/NC(=O)c1ccccc1Cl)NCCc1c[nH]c2c1cccc2

STK552251
Synonyms: 4-(naphthalen-1-yloxy)-2-(pyridin-2-yl)quinazoline
Smiles: c1ccc(nc1)c1nc(Oc2cccc3c2cccc3)c2c(n1)cccc2

STK552256
Synonyms: (5Z)-2-[(2-bromophenyl)amino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: COc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1ccccc1Br

STK844504
Synonyms: 1-{2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone
Smiles: Cc1cc(C)nc(n1)Nc1nc(c(s1)C(=O)C)C

STK552260
Synonyms: N-[(5Z)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-nitrobenzamide
Smiles: COc1ccc(c(c1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)[N+](=O)[O-])OC

STK844506
Synonyms: methyl4-[2-hydroxy-3-(morpholin-4-yl)propoxy]benzoate
Smiles: COC(=O)c1ccc(cc1)OCC(CN1CCOCC1)O

STK552264
Synonyms: N-[2-(piperidin-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
Smiles: C1CCN(CC1)CCNc1ncnc2c1[nH]c1c2cccc1

STK844508
Synonyms: methyl4-{(Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl}benzoate
Smiles: N#C/C(=C/c1ccc(cc1)C(=O)OC)/c1scc(n1)c1ccc(cc1)Br

STK552268
Synonyms: 4-[4-(3-chlorophenyl)piperazin-1-yl]-8-fluoro-5H-pyrimido[5,4-b]indole
Smiles: Fc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1cccc(c1)Cl

STK552275
Synonyms: 5-cyano-6-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: CCN(C(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1F)c1ccco1)CC

STK844509
Synonyms: N~2~-cyclohexyl-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(cc1)Nc1nc(NC2CCCCC2)nc(c1[N+](=O)[O-])N

STK844511
Synonyms: N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]benzamide
Smiles: O=C(c1ccccc1)Nc1cc(ccc1N1CCOCC1)c1nn(C)c(=O)c2c1cccc2

STK844512
Synonyms: 4-{(Z)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl}phenylacetate
Smiles: N#C/C(=C/c1ccc(cc1)OC(=O)C)/c1scc(n1)c1ccc(cc1)Cl

STK552279
Synonyms: N~2~-(2-fluorophenyl)-N~4~-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)Nc1ccccc1F

STK552285
Synonyms: (2Z)-[2-(4-ethoxyphenyl)hydrazinylidene][4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethanenitrile
Smiles: CCOc1ccc(cc1)N/N=C(\c1scc(n1)c1ccc(cc1)F)/C#N

STK552286
Synonyms: N-butyl-N-ethyl-2-(pyridin-4-yl)quinazolin-4-amine
Smiles: CCCCN(c1nc(nc2c1cccc2)c1ccncc1)CC

STK552287
Synonyms: (1Z)-1-(3,4-dihydroquinolin-1(2H)-yl)-1-[2-(4-nitrophenyl)hydrazinylidene]propan-2-one
Smiles: CC(=O)/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/N1CCCc2c1cccc2

STK552291
Synonyms: 3-{(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzoicacid
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)C(=O)O

STK552294
Synonyms: N'-[(E)-(3,4-dihydroxyphenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nc2ccccc2c(=O)n1c1ccccc1)N/N=C/c1ccc(c(c1)O)O

STK552296
Synonyms: ethyl1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CC(=O)c1c(C)[nH]c2c1cc(OC)cc2

STK552298
Synonyms: 3-amino-N-(3,4-dichlorophenyl)-4,6-dimethyl-5-(prop-2-en-1-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: C=CCc1c(C)nc2c(c1C)c(N)c(s2)C(=O)Nc1ccc(c(c1)Cl)Cl

STK552312
Synonyms: 3,3'-[benzene-1,4-diylbis(oxy)]bis[1-(dibenzylamino)propan-2-ol]
Smiles: OC(CN(Cc1ccccc1)Cc1ccccc1)COc1ccc(cc1)OCC(CN(Cc1ccccc1)Cc1ccccc1)O

STK552313
Synonyms: 9-fluoro-N-(furan-2-ylmethyl)-7-hydroxy-3-methyl-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
Smiles: Fc1cc2CCC(n3c2c(c1)c(O)c(c3=O)C(=O)NCc1ccco1)C

STK552314
Synonyms: methyl2-({[4-(ethoxycarbonyl)phenyl]carbamoyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)Nc1ccccc1C(=O)OC

STK552323
Synonyms: (2E)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCc1ccccc1)/c1scc(n1)c1ccc(cc1)OC

STK552324
Synonyms: (5Z)-1-[2-(4-fluorophenyl)ethyl]-5-[(9-methyl-11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Fc1ccc(cc1)CCN1C(=O)NC(=O)/C(=C/c2c(=O)oc3c(c2C)cc2c4c3CCCN4CCC2)/C1=O

STK552325
Synonyms: N-{(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-2-nitrobenzamide
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1[N+](=O)[O-]

STK552326
Synonyms: 4-(2,4-dichlorophenoxy)-2-(pyridin-4-yl)quinazoline
Smiles: Clc1ccc(c(c1)Cl)Oc1nc(nc2c1cccc2)c1ccncc1

STK844520
Synonyms: 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl4-methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1ccc2c(c1)occ(c2=O)c1nc2c(s1)cccc2

STK552332
Synonyms: 7-[(2-chlorobenzyl)sulfanyl]-4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3SCc1ccccc1Cl)C

STK552338
Synonyms: 2-chloro-N-{(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1Cl

STK552340
Synonyms: (5Z)-2-[(2-methylphenyl)amino]-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1,3-thiazol-4(5H)-one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=NC1=O)Nc1ccccc1C

STK552342
Synonyms: 1-benzyl-2-{[(4-bromophenyl)sulfonyl]amino}-N-cyclohexyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Brc1ccc(cc1)S(=O)(=O)Nc1c(C(=O)NC2CCCCC2)c2c(n1Cc1ccccc1)nc1c(n2)cccc1

STK552343
Synonyms: (2Z)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(3,4-difluorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(c(c1)F)F)/c1scc(n1)c1ccc(cc1)Cl

STK552344
Synonyms: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxo-4H-chromen-7-yl2-chlorobenzoate
Smiles: CCc1cc2c(cc1OC(=O)c1ccccc1Cl)occ(c2=O)c1ccc2c(c1)OCCO2

STK552349
Synonyms: 2-(morpholin-4-yl)-4a,8a-dihydronaphthalene-1,4-dione
Smiles: O=C1C=C(N2CCOCC2)C(=O)C2C1C=CC=C2

STK844524
Synonyms: 4-fluoro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
Smiles: COc1ccccc1C1NN=C(C1)c1cc(F)ccc1O

STK552352
Synonyms: (3aR,4S,8aS,8bS)-2-(4-bromophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1N([C@@H]2C(=O)c2ccccc2)CCC1

STK552357
Synonyms: [(4aR,5S,6R,7S)-6-(4-bromophenyl)-5-nitro-4a,5,6,7-tetrahydropyrrolo[1,2-b]pyridazin-7-yl](4-methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@H]([C@@H]1c1ccc(cc1)Br)[N+](=O)[O-]

STK552359
Synonyms: ethyl2-({(Z)-2-cyano-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(cc2C)C)/C#N)sc2c1CCCC2

STK844526
Synonyms: (2Z)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(2-fluoro-5-nitrophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(ccc1F)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1Cl)Cl

STK844527
Synonyms: N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-(piperidin-1-ylcarbonyl)benzenesulfonamide
Smiles: OC(CNS(=O)(=O)c1ccccc1C(=O)N1CCCCC1)COc1c(C)cccc1C

STK552369
Synonyms: 2-(4-benzylpiperidin-1-yl)-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1F)N1CCC(CC1)Cc1ccccc1

STK552374
Synonyms: 2,4-dichloro-N-{(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1Cl)Cl

STK552382
Synonyms: 2-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1CC(C)CN(C1)c1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-]

STK552391
Synonyms: N~2~-benzyl-N~4~-(4-chlorophenyl)-N~2~-methyl-5-nitropyrimidine-2,4,6-triamine
Smiles: Clc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N(Cc1ccccc1)C

STK552394
Synonyms: 4-{(Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl}-2-methoxyphenylacetate
Smiles: N#C/C(=C/c1ccc(c(c1)OC)OC(=O)C)/c1scc(n1)c1ccc(cc1)Br

STK844535
Synonyms: methyl4-{(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}benzoate
Smiles: N#C/C(=C/c1ccc(cc1)C(=O)OC)/c1scc(n1)c1ccc2c(c1)OCO2

STK552396
Synonyms: 2-[4-(cyclopentylamino)quinazolin-2-yl]-6-methoxyphenol
Smiles: COc1cccc(c1O)c1nc(NC2CCCC2)c2c(n1)cccc2

STK844536
Synonyms: 3-amino-4,6-dimethyl-5-(prop-2-en-1-yl)-N-(2,4,6-trimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: C=CCc1c(C)nc2c(c1C)c(N)c(s2)C(=O)Nc1c(C)cc(cc1C)C

STK844538
Synonyms: 4-{(Z)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}-2,6-dimethoxyphenylacetate
Smiles: N#C/C(=C/c1cc(OC)c(c(c1)OC)OC(=O)C)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK552403
Synonyms: ethyl2-({(Z)-2-cyano-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(cc2)OC)/C#N)sc2c1CCCC2

STK844541
Synonyms: quinolin-8-ylmorpholine-4-sulfonate
Smiles: O=S(=O)(N1CCOCC1)Oc1cccc2c1nccc2

STK844543
Synonyms: 3,3'-[benzene-1,3-diylbis(oxy)]bis[1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol]
Smiles: OC(Cn1nc(cc1C)C)COc1cccc(c1)OCC(Cn1nc(cc1C)C)O

STK552415
Synonyms: (5Z)-2-[(2-bromophenyl)amino]-5-(2,3-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: COc1c(cccc1OC)/C=C/1\SC(=NC1=O)Nc1ccccc1Br

STK552418
Synonyms: 3-{(E)-[2-(4-phenylquinazolin-2-yl)hydrazinylidene]methyl}quinolin-2(1H)-one
Smiles: O=c1[nH]c2ccccc2cc1/C=N/Nc1nc2ccccc2c(n1)c1ccccc1

STK552419
Synonyms: 2-(4-methylphenyl)-3-[(3-nitrophenyl)sulfonyl]-1,3-thiazolidine
Smiles: Cc1ccc(cc1)C1SCCN1S(=O)(=O)c1cccc(c1)[N+](=O)[O-]

STK552420
Synonyms: 2-methylpropyl4-({5-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-methoxybenzyl}oxy)benzoate
Smiles: COc1ccc(cc1COc1ccc(cc1)C(=O)OCC(C)C)/C=N/NC(=O)c1nnn(c1CN1CCOCC1)c1nonc1N

STK552421
Synonyms: 1-(2-chloro-10H-phenothiazin-10-yl)-2-(cyclohexylamino)ethanone
Smiles: Clc1ccc2c(c1)N(C(=O)CNC1CCCCC1)c1c(S2)cccc1

STK552422
Synonyms: 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCCCC1C)c([nH]2)C

STK552425
Synonyms: N-[(2-hydroxy-6-methylquinolin-3-yl)methyl]-2-methyl-N-(2-methylphenyl)benzamide
Smiles: Cc1ccc2c(c1)cc(c(n2)O)CN(c1ccccc1C)C(=O)c1ccccc1C

STK552427
Synonyms: (5Z)-2-[(2-chlorophenyl)amino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: COc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1ccccc1Cl

STK844547
Synonyms: N-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1CCN(CC1)c1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-]

STK844549
Synonyms: 4-bromo-N-[(5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)Br

STK552430
Synonyms: 1-chloro-8-[(2-methylpiperidin-1-yl)carbonyl]-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-4-carboxylicacid
Smiles: OC(=O)C1Nc2ccc(cc2C2C1CC(C2Cl)Sc1ccccc1[N+](=O)[O-])C(=O)N1CCCCC1C

STK552436
Synonyms: (2Z)-3-[(2-fluoro-5-nitrophenyl)amino]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(ccc1F)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)OC

STK552438
Synonyms: 2-{4-[butyl(ethyl)amino]quinazolin-2-yl}-6-methoxyphenol
Smiles: CCCCN(c1nc(nc2c1cccc2)c1cccc(c1O)OC)CC

STK552440
Synonyms: 1-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-(2-fluorophenoxy)ethanone
Smiles: CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)C(=O)COc1ccccc1F

STK552441
Synonyms: 2-{4-[(3,4-dimethylphenyl)amino]quinazolin-2-yl}-6-methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Nc2ccc(c(c2)C)C)c2c(n1)cccc2

STK844550
Synonyms: ethyl2-({(E)-2-cyano-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Smiles: CCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1ccc(c(c1)Cl)Cl)\C#N

STK844551
Synonyms: 2-{[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(o1)c1sc2c(c1Cl)cccc2

STK552446
Synonyms: (2Z)-[4-(3-bromophenyl)-1,3-thiazol-2-yl][2-(4-methoxyphenyl)hydrazinylidene]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)OC)/c1scc(n1)c1cccc(c1)Br

STK552447
Synonyms: 3-(4-fluorophenyl)-3-phenylpropanoicacid
Smiles: OC(=O)CC(c1ccccc1)c1ccc(cc1)F

STK844552
Synonyms: (2Z)-3-[(3-acetylphenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1)C(=O)C)/c1scc(n1)c1cc2ccccc2oc1=O

STK844553
Synonyms: 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl4-methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1nc2c(s1)cccc2)C

STK552453
Synonyms: 6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)Cl)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1F)C

STK552456
Synonyms: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: [O-][N+](=O)c1ccc(cc1)C1Oc2ccccc2C2N1N=C(C2)c1ccc2c(c1)OCCO2

STK552461
Synonyms: (5Z)-5-(3-fluorobenzylidene)-3-(2-methylphenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)c1ccccc1C

STK552468
Synonyms: ethyl2-({(E)-2-cyano-2-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(N/C=C(/c2scc(n2)c2ccc(cc2)C2CCCCC2)\C#N)sc2c1CCCC2

STK552472
Synonyms: 2-amino-4-[(trifluoromethyl)sulfonyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1N)S(=O)(=O)C(F)(F)F

STK552474
Synonyms: ethyl2-({(Z)-2-cyano-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(N/C=C(\c2scc(n2)c2cccc(c2)OC)/C#N)sc2c1CCCC2

STK552475
Synonyms: 4-{(Z)-2-cyano-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl}-2,6-dimethoxyphenylacetate
Smiles: N#C/C(=C/c1cc(OC)c(c(c1)OC)OC(=O)C)/c1scc(n1)c1ccc(c(c1)Cl)Cl

STK844558
Synonyms: 2-[(E)-2-phenylethenyl]-3-(2-phenylethyl)quinazolin-4(3H)-one
Smiles: O=c1n(CCc2ccccc2)c(/C=C/c2ccccc2)nc2c1cccc2

STK552490
Synonyms: N-[(5Z)-5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-nitrobenzamide
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK552492
Synonyms: (2Z)-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl][2-(4-ethoxyphenyl)hydrazinylidene]ethanenitrile
Smiles: CCOc1ccc(cc1)N/N=C(\c1scc(n1)c1ccc(c(c1)OC)OC)/C#N

STK552495
Synonyms: 4-(2,5-dichlorophenoxy)-2-(pyridin-4-yl)quinazoline
Smiles: Clc1ccc(c(c1)Oc1nc(nc2c1cccc2)c1ccncc1)Cl

STK552498
Synonyms: (1E,2Z)-N,N'-dihydroxy-3,4-dihydronaphthalene-1,2-diimine
Smiles: O/N=C\1/C(=N\O)/CCc2c1cccc2

STK552500
Synonyms: ethyl3-{[3-(pyrrolidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCC1)cccc2

STK552501
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CN2CCOCC2)c2nonc2N)ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

STK552503
Synonyms: 1-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-proline
Smiles: OC(=O)[C@@H]1CCCN1c1nc(Cc2ccccc2)nc2c1c1CCCCc1s2

STK552506
Synonyms: 2,2,4-trimethyl-1,2-dihydrobenzo[h]quinoline
Smiles: CC1=CC(C)(C)Nc2c1ccc1c2cccc1

STK552517
Synonyms: N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CN1CCN(CC1)c1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-]

STK844563
Synonyms: 1-(2-chloro-10H-phenothiazin-10-yl)-3-(morpholin-4-yl)propan-1-one
Smiles: Clc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1c(S2)cccc1

STK552520
Synonyms: (4bR,7aS,8R)-6-(1,3-benzodioxol-5-yl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1[C@@H](N1C2C=CC=N1)C(=O)c1ccccc1

STK552521
Synonyms: 2,5,6-triphenyl-1H-imidazo[1,2-a]imidazole
Smiles: c1ccc(cc1)c1cn2c([nH]1)nc(c2c1ccccc1)c1ccccc1

STK552530
Synonyms: diethyl2,6-dimethyl-4-[2-(piperidin-1-yl)quinolin-3-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Smiles: CCOC(=O)C1=C(C)NC(=C(C1c1cc2ccccc2nc1N1CCCCC1)C(=O)OCC)C

STK844564
Synonyms: 2,3,5,6,7,8-hexafluoronaphthalene-1,4-dione
Smiles: FC1=C(F)C(=O)c2c(C1=O)c(F)c(c(c2F)F)F

STK844565
Synonyms: (5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-3-(3-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)OC

STK552537
Synonyms: N-cyclopentyl-2-[4-(propan-2-yloxy)phenyl]quinazolin-4-amine
Smiles: CC(Oc1ccc(cc1)c1nc(NC2CCCC2)c2c(n1)cccc2)C

STK552538
Synonyms: ethyl5-{2-[(2E)-2-(5-bromo-2-hydroxybenzylidene)hydrazinyl]-2-oxoethoxy}-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OCC(=O)N/N=C/c1cc(Br)ccc1O)cc2)C

STK552539
Synonyms: N-(4-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)acetamide
Smiles: CC1CCCN(C1)c1cc(Nc2ccc(cc2)NC(=O)C)c(c2c1non2)[N+](=O)[O-]

STK844566
Synonyms: 2-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-6-iodo-3-phenylquinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1c(O)ccc2c1cccc2)c1ccccc1

STK552545
Synonyms: 4-hydroxy-N-[(5Z)-5-(2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)O

STK552546
Synonyms: (5Z)-2-[(3,5-dichlorophenyl)amino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: COc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1cc(Cl)cc(c1)Cl

STK552547
Synonyms: ethyl3-{[3-(4-carbamoylpiperidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C(=O)N)cccc2

STK552550
Synonyms: ethyl3-{[3-(3-methylpiperidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCC(C1)C)cccc2

STK552554
Synonyms: 4-{(Z)-2-cyano-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl}phenylacetate
Smiles: N#C/C(=C/c1ccc(cc1)OC(=O)C)/c1scc(n1)c1ccc(c(c1)Cl)Cl

STK552555
Synonyms: 4-butyl-7-[(naphthalen-2-ylmethyl)sulfanyl]-2,3,5a,10b-tetrahydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncnc3SCc1ccc2c(c1)cccc2

STK552556
Synonyms: 2-bromo-N-[(5Z)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: COc1ccc(c(c1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1Br)OC

STK552557
Synonyms: 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CC(C)OC(C1)C)c(n2Cc1ccccc1)C

STK844572
Synonyms: dimethyl5-({(Z)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)benzene-1,3-dicarboxylate
Smiles: N#C/C(=C/Nc1cc(cc(c1)C(=O)OC)C(=O)OC)/c1scc(n1)c1ccc(cc1)Cl

STK552564
Synonyms: (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(4-methylphenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)Nc1ccc(cc1)Cl

STK552568
Synonyms: (2Z)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccccc1C(F)(F)F)/c1scc(n1)c1ccc(cc1Cl)Cl

STK552569
Synonyms: (5Z)-3-(2-ethoxyphenyl)-5-(3-fluorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1ccccc1N1C(=S)S/C(=C\c2cccc(c2)F)/C1=O

STK552571
Synonyms: 6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-N-(4-fluorophenyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)Cl)NC(=C(C1c1ccco1)C(=O)Nc1ccc(cc1)F)C

STK552573
Synonyms: 3-bromo-N-[2-(cyclohex-1-en-1-yl)ethyl]-2-oxo-2H-pyran-5-carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)NCCC1=CCCCC1

STK552576
Synonyms: methylthieno[2,3-b]quinoline-2-carboxylate
Smiles: COC(=O)c1cc2c(s1)nc1c(c2)cccc1

STK552578
Synonyms: 1-(4-chlorophenyl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine
Smiles: Clc1ccc(cc1)N1CCN(CC1)c1nnc(s1)C(F)(F)F

STK552579
Synonyms: 1-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-diphenylthiourea
Smiles: S=C(N(C1=NCC(S1)(C)C)c1ccccc1)Nc1ccccc1

STK844574
Synonyms: 4-{[(Z)-2-cyano-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}ethenyl]amino}benzamide
Smiles: N#C/C(=C/Nc1ccc(cc1)C(=O)N)/c1scc(n1)c1ccc(cc1)CC(C)C

STK844576
Synonyms: N-({4-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]phenyl}sulfonyl)acetamide
Smiles: CC(=O)NS(=O)(=O)c1ccc(cc1)Nc1ccc(c2c1non2)[N+](=O)[O-]

STK844577
Synonyms: ethyl4-[({(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-yl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CC1S/C(=N/c2ccc(cc2)O)/NC1=O

STK552587
Synonyms: 2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}propanoicacid
Smiles: CSc1nc(SC(C(=O)O)C)c2c(n1)sc1c2CC(OC1)(C)C

STK552595
Synonyms: (2Z)-[2-(4-fluorophenyl)hydrazinylidene][4-(naphthalen-2-yl)-1,3-thiazol-2-yl]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)F)/c1scc(n1)c1ccc2c(c1)cccc2

STK552597
Synonyms: 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-4-(4-methylpiperidin-1-yl)quinazoline
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CCC(CC1)C)c1ccc(c(c1)OC)OC

STK552598
Synonyms: 2-{5-[(Z)-(1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxybenzyl}-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)NC(=S)N(C1=O)C1CC1

STK552601
Synonyms: N~4~-(4-chlorophenyl)-N~2~-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CC(CCNc1nc(Nc2ccc(cc2)Cl)c(c(n1)N)[N+](=O)[O-])C

STK552603
Synonyms: 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N'-[(E)-1H-indol-3-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)Cl)N/N=C/c1c[nH]c2c1cccc2

STK552606
Synonyms: 5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-N-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: CCOc1ccc(cc1)C1C(=C(SCC(=O)c2ccccc2)NC(=C1C(=O)Nc1ccccc1)C)C#N

STK552609
Synonyms: N-{[2-(pyrazin-2-ylcarbonyl)hydrazinyl]carbonothioyl}-1,3-benzodioxole-5-carboxamide
Smiles: S=C(NC(=O)c1ccc2c(c1)OCO2)NNC(=O)c1cnccn1

STK552611
Synonyms: methyl2-sulfanylpyridine-3-carboxylate
Smiles: COC(=O)c1cccnc1S

STK552613
Synonyms: (2Z)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)OC)OCc1ccccc1)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK552616
Synonyms: [1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl][4-(morpholin-4-yl)-3-nitrophenyl]methanone
Smiles: CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)C(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1

STK552618
Synonyms: N~4~-(4-methoxyphenyl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(cc1)Nc1nc(Nc2ccc(cc2)C)nc(c1[N+](=O)[O-])N

STK552619
Synonyms: (8S,8aR,11aS,11bS)-10-(1,3-benzodioxol-5-yl)-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1[C@@H]1N([C@@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2

STK844586
Synonyms: (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C(F)(F)F)Cl)/c1scc(n1)c1ccc(cc1)Br

STK552625
Synonyms: N~2~-(3-fluorophenyl)-N~4~-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1cccc(c1)Nc1nc(Nc2cccc(c2)F)nc(c1[N+](=O)[O-])N

STK552626
Synonyms: 4-{(Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}-2,6-dimethoxyphenylacetate
Smiles: N#C/C(=C/c1cc(OC)c(c(c1)OC)OC(=O)C)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK552627
Synonyms: 2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(c(c1)OC)O

STK552635
Synonyms: 3-bromo-5-(2,3-dihydro-1H-indol-1-ylcarbonyl)-2H-pyran-2-one
Smiles: O=C(N1CCc2c1cccc2)c1coc(=O)c(c1)Br

STK552639
Synonyms: 1-butyl-3-[(4-fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: CCCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)F

STK844588
Synonyms: 4-(4-methyl-1H-pyrazol-1-yl)-6-phenoxypyrimidine
Smiles: Cc1cnn(c1)c1ncnc(c1)Oc1ccccc1

STK552650
Synonyms: 1-[2-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxamide
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCC(CC1)C(=O)N)c(n2Cc1ccccc1)C

STK552652
Synonyms: N-(3-methylphenyl)-5-nitro-2-(piperidin-1-yl)pyrimidine-4,6-diamine
Smiles: Cc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1

STK552653
Synonyms: N~4~-(4-methylphenyl)-5-nitro-N~2~-phenylpyrimidine-2,4,6-triamine
Smiles: Cc1ccc(cc1)Nc1nc(Nc2ccccc2)nc(c1[N+](=O)[O-])N

STK552655
Synonyms: (5Z)-5-(2,3-dimethoxybenzylidene)-2-[(2,3-dimethylphenyl)amino]-1,3-thiazol-4(5H)-one
Smiles: COc1c(cccc1OC)/C=C/1\SC(=NC1=O)Nc1cccc(c1C)C

STK844589
Synonyms: 2-{4-[4-(benzylamino)phthalazin-1-yl]phenoxy}-1-(piperidin-1-yl)ethanone
Smiles: O=C(N1CCCCC1)COc1ccc(cc1)c1nnc(c2c1cccc2)NCc1ccccc1

STK552658
Synonyms: 5-cyano-N-(4-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)C)NC(=C(C1c1ccco1)C(=O)Nc1ccc(cc1)F)C

STK844590
Synonyms: N-[(5Z)-5-(2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-nitrobenzamide
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK844592
Synonyms: (5Z)-3-(3-hydroxyphenyl)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)O

STK552662
Synonyms: 6-hydroxy-3-(4-methylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: Cc1ccc(cc1)n1c(=S)[nH]c(c(c1=O)C1NCCc2c1cccc2)O

STK552663
Synonyms: 4-{(Z)-2-cyano-2-[4-(naphthalen-2-yl)-1,3-thiazol-2-yl]ethenyl}-2,6-dimethoxyphenylacetate
Smiles: N#C/C(=C/c1cc(OC)c(c(c1)OC)OC(=O)C)/c1scc(n1)c1ccc2c(c1)cccc2

STK552665
Synonyms: 2-{[3-(4-chlorophenoxy)-2-hydroxypropyl]carbamoyl}benzoicacid
Smiles: OC(COc1ccc(cc1)Cl)CNC(=O)c1ccccc1C(=O)O

STK552668
Synonyms: N~4~-(4-chlorophenyl)-N~2~-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: CN(CCCNc1nc(Nc2ccc(cc2)Cl)c(c(n1)N)[N+](=O)[O-])C

STK844595
Synonyms: 4-(6-chloropyrimidin-4-yl)morpholine
Smiles: Clc1ncnc(c1)N1CCOCC1

STK552684
Synonyms: (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(2,4-difluorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1F)F)/c1scc(n1)c1ccc(cc1)Br

STK552691
Synonyms: 3-(2-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: COc1ccccc1n1cnc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK552695
Synonyms: 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-(thiomorpholin-4-yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCSCC1)c([nH]2)C

STK552696
Synonyms: 2-[(5Z)-5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-methylbutanoicacid
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C(C)C

STK844597
Synonyms: 6-methyl-3-(pyridin-3-yl)[1,3]thiazolo[2,3-c][1,2,4]triazole
Smiles: Cc1cn2c(s1)nnc2c1cccnc1

STK552699
Synonyms: (2E)-2-(5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-methylethanamide
Smiles: N#C/C(=C/1\SC(C(=O)N1c1ccccc1)CC(=O)Nc1ccc(cc1)Br)/C(=O)NC

STK552703
Synonyms: {2,4-dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl}aceticacid
Smiles: O=C(CC1SC(=O)N(C1=O)CC(=O)O)Nc1nccs1

STK552706
Synonyms: 2-methoxy-6-{4-[(tetrahydrofuran-2-ylmethyl)amino]quinazolin-2-yl}phenol
Smiles: COc1cccc(c1O)c1nc(NCC2CCCO2)c2c(n1)cccc2

STK552719
Synonyms: 4-oxo-4-[5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]butanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1ccccc1)c1cccs1

STK552723
Synonyms: (2'S,3S,3'S,10b'R)-3'-(2,2-dimethylpropanoyl)-2'-(pyridin-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: O=C([C@@H]1[C@H](N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C(=O)C(C)(C)C)c1ccccn1

STK552726
Synonyms: 2-bromo-N-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1Br

STK552727
Synonyms: 3-(1,3-benzothiazol-2-yl)-5,7-dimethyl-4H-chromen-4-one
Smiles: Cc1cc(C)c2c(c1)occ(c2=O)c1nc2c(s1)cccc2

STK552729
Synonyms: (5Z)-3-(2-chlorophenyl)-5-[4-(octyloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccccc1Cl

STK552730
Synonyms: methyl4-{(Z)-2-cyano-2-[4-(naphthalen-2-yl)-1,3-thiazol-2-yl]ethenyl}benzoate
Smiles: N#C/C(=C/c1ccc(cc1)C(=O)OC)/c1scc(n1)c1ccc2c(c1)cccc2

STK844606
Synonyms: N-butyl-2-(2-fluorophenyl)quinazolin-4-amine
Smiles: CCCCNc1nc(nc2c1cccc2)c1ccccc1F

STK844607
Synonyms: 4-chloro-3-fluoro-1-(morpholin-4-yl)[1,4]benzodioxino[2,3-c]pyridine
Smiles: Fc1nc(N2CCOCC2)c2c(c1Cl)Oc1c(O2)cccc1

STK552738
Synonyms: 2-ethyl-3a,7,7-trimethyl-2,3,3a,4,6,9-hexahydro-7H-pyrano[4',3':4,5]thieno[3,2-e]pyrrolo[1,2-a]pyrimidine-1,5-dione
Smiles: CCC1CC2(N(C1=O)c1sc3c(c1C(=O)N2)CC(OC3)(C)C)C

STK552743
Synonyms: (1,3-dioxo-2,3-dihydro-1H-inden-2-yl)(1H-indol-3-yl)propanedinitrile
Smiles: N#CC(c1c[nH]c2c1cccc2)(C1C(=O)c2c(C1=O)cccc2)C#N

STK552745
Synonyms: N-[3-(dipropylamino)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
Smiles: CCCN(CC(CN(S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)OC)O)CCC

STK552748
Synonyms: 2-methoxy-6-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol
Smiles: COc1cccc(c1O)c1nc(N2CCC(CC2)C)c2c(n1)cccc2

STK552751
Synonyms: 3-amino-4,6-dimethyl-N-(naphthalen-1-yl)-5-(prop-2-en-1-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: C=CCc1c(C)nc2c(c1C)c(N)c(s2)C(=O)Nc1cccc2c1cccc2

STK552755
Synonyms: 4-[(4-chlorobenzyl)sulfanyl]-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: CSc1nc(SCc2ccc(cc2)Cl)c2c(n1)sc1c2CCCC1

STK844610
Synonyms: N-(4-methoxyphenyl)-5-nitro-2-(pyrrolidin-1-yl)pyrimidine-4,6-diamine
Smiles: COc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCC1

STK552758
Synonyms: 2,4-dichloro-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}benzamide
Smiles: S=C(NC(=O)c1ccc(cc1Cl)Cl)NN1CCCCC1c1cccnc1

STK552760
Synonyms: 6,12-diethyl-9-(ethylsulfanyl)-6-methyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Smiles: CCSc1nnc2n1c(=O)c1c(n2CC)c2ccccc2CC1(C)CC

STK844612
Synonyms: 2-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NCc1ccco1)N1CCC(CC1)Cc1ccccc1

STK552763
Synonyms: 3-chloro-N-[(5Z)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: COc1ccc(c(c1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)Cl)OC

STK844614
Synonyms: methyl4-{(Z)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl}benzoate
Smiles: N#C/C(=C/c1ccc(cc1)C(=O)OC)/c1scc(n1)c1cccc(c1)Br

STK552781
Synonyms: N-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1CCN(CC1)c1nc(Nc2ccc(cc2)F)c(c(n1)N)[N+](=O)[O-]

STK552784
Synonyms: 4-(phenylsulfanyl)-2-(pyridin-4-yl)quinazoline
Smiles: c1ccc(cc1)Sc1nc(nc2c1cccc2)c1ccncc1

STK552789
Synonyms: 4-(3-methylphenoxy)-2-(pyridin-4-yl)quinazoline
Smiles: Cc1cccc(c1)Oc1nc(nc2c1cccc2)c1ccncc1

STK552790
Synonyms: (2Z)-3-[(2,4-difluorophenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1F)F)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK552792
Synonyms: ethyl2-{[(3-bromo-2,6-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccccc1NC(=O)Cn1c(C)c(Br)c(=O)c2c1ccc(c2)C

STK552793
Synonyms: 3-(quinolin-2-ylsulfanyl)propanoicacid
Smiles: OC(=O)CCSc1ccc2c(n1)cccc2

STK552795
Synonyms: methyl2-[(3-{[(4-chlorophenyl)sulfonyl]amino}quinoxalin-2-yl)amino]-4,5-dimethoxybenzoate
Smiles: COC(=O)c1cc(OC)c(cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(cc1)Cl)OC

STK552797
Synonyms: 3-chloro-N-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)Cl

STK552799
Synonyms: ethyl5-{2-[(2E)-2-(2,5-dimethoxybenzylidene)hydrazinyl]-2-oxoethoxy}-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OCC(=O)N/N=C/c1cc(OC)ccc1OC)cc2)C

STK552803
Synonyms: (2E,5Z)-2-[(2,4-dichlorophenyl)imino]-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1,3-thiazolidin-4-one
Smiles: C/C(=C\c1ccccc1)/C=C/1\S/C(=N/c2ccc(cc2Cl)Cl)/NC1=O

STK844618
Synonyms: (5Z)-3-(1,3-benzodioxol-5-yl)-5-(2-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)c1ccc2c(c1)OCO2

STK844620
Synonyms: 2-chloro-6-ethoxy-3-[3-(furan-2-yl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
Smiles: CCOc1ccc2c(c1)cc(c(n2)Cl)C1CC(=NN1S(=O)(=O)C)c1ccco1

STK552807
Synonyms: N-(3-fluorophenyl)-2-(pyridin-2-yl)quinazolin-4-amine
Smiles: Fc1cccc(c1)Nc1nc(nc2c1cccc2)c1ccccn1

STK552810
Synonyms: 3-amino-4-(4-fluorophenyl)-6-(4-methoxyphenyl)-N-(4-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1)c1nc2sc(c(c2c(c1)c1ccc(cc1)F)N)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK552813
Synonyms: 6-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
Smiles: NC(=O)c1nc(nc(c1)c1ccccc1)N1CCN(CC1)c1ccccc1

STK552814
Synonyms: ethyl5-cyano-4-(2-fluorophenyl)-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1c(C)cc(cc1C)C

STK844623
Synonyms: 6,11-diphenyldibenzo[b,f][1,4]diazocine
Smiles: c1ccc(cc1)C1=Nc2ccccc2N=C(c2c1cccc2)c1ccccc1

STK552817
Synonyms: N-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-hydroxybenzamide
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)O

STK844624
Synonyms: 2-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]-5-methoxyphenylmorpholine-4-carboxylate
Smiles: COc1ccc(c(c1)OC(=O)N1CCOCC1)C(=O)/C=C/c1ccc(cc1)F

STK552824
Synonyms: 2-(methylsulfanyl)-4-[(2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: CSc1nc(SCCc2ccccc2)c2c(n1)sc1c2CCCC1

STK552827
Synonyms: 1'-(4-chlorophenyl)-3-(4-methylphenyl)tetrahydro-2'H,5H,5'H-spiro[pyrazolo[1,2-a]pyrazole-1,3'-pyrrolidine]-2',5'-dione
Smiles: Cc1ccc(cc1)C1CC2(N3N1CCC3)CC(=O)N(C2=O)c1ccc(cc1)Cl

STK844626
Synonyms: ethyl2-{[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1sc(nc1C)NC(=O)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK552831
Synonyms: N~4~-(2-fluorophenyl)-5-nitro-N~2~-phenylpyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1F)Nc1ccccc1

STK552834
Synonyms: (5Z)-2-[(4-chlorophenyl)amino]-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1,3-thiazol-4(5H)-one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=NC1=O)Nc1ccc(cc1)Cl

STK844627
Synonyms: N-[(5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-methylbenzenesulfonamide
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NS(=O)(=O)c1ccc(cc1)C

STK844629
Synonyms: (5Z)-3-(4-hydroxyphenyl)-5-(2-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)O

STK552845
Synonyms: ethyl3-(1,3-benzothiazol-2-yl)-7-{[(4-chlorophenyl)carbonyl]oxy}-4-oxo-4H-chromene-2-carboxylate
Smiles: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)c1ccc(cc1)Cl

STK552846
Synonyms: N,N-diethyl-N'-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)ethane-1,2-diamine
Smiles: CCN(CCNc1ncnc2c1[nH]c1c2cc(cc1)F)CC

STK844632
Synonyms: 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(4-ethoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: CCOc1ccc(cc1)C1C(=C(C)NC(=C1C#N)SCC(=O)N)C(=O)Nc1ccccc1

STK844638
Synonyms: (5Z)-3-(3-methoxyphenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-4-one
Smiles: COc1cccc(c1)N1C(=S)S/C(=C\c2cc(OC)c(c(c2)OC)OC)/C1=O

STK552858
Synonyms: (5Z)-2-[(2-bromophenyl)amino]-5-(2,5-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: COc1ccc(c(c1)/C=C/1\SC(=NC1=O)Nc1ccccc1Br)OC

STK552860
Synonyms: 2-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoicacid
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)Cc1ccccc1

STK552863
Synonyms: 2-(4-methoxyphenyl)quinazolin-4-ol
Smiles: COc1ccc(cc1)c1nc(O)c2c(n1)cccc2

STK552869
Synonyms: N-(3,4-dimethylphenyl)-2-[(7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(c(c1)C)C)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK552871
Synonyms: (2Z)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: COc1cc(ccc1OCc1ccccc1)/C=C(\c1scc(n1)c1cccc(c1)Br)/C#N

STK552877
Synonyms: N,N,6-trimethyl-2-(morpholin-4-yl)pyrimidin-4-amine
Smiles: Cc1nc(nc(c1)N(C)C)N1CCOCC1

STK844644
Synonyms: (2Z)-[2-(4-methylphenyl)hydrazinylidene][4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)C)/c1scc(n1)c1cc2ccccc2oc1=O

STK552881
Synonyms: ethyl{[5-cyano-8-(morpholin-4-yl)-3-(propan-2-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(OC2)C(C)C

STK552884
Synonyms: prop-2-en-1-yl5-cyano-6-{[2-(diphenylamino)-2-oxoethyl]sulfanyl}-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1)C#N)SCC(=O)N(c1ccccc1)c1ccccc1

STK552886
Synonyms: (2E)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccccc1C(F)(F)F)/c1scc(n1)c1ccc(cc1Cl)Cl

STK844646
Synonyms: ethyl2-({(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)benzoate
Smiles: CCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1cccc(c1)Br)\C#N

STK552887
Synonyms: (5Z)-3-(3-hydroxyphenyl)-5-(2-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)c1cccc(c1)O

STK552891
Synonyms: 8-chloro-10-(3,4-dichlorophenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Smiles: Clc1ccc2c(c1)n(c1ccc(c(c1)Cl)Cl)c1c(c2)c(=O)[nH]c(=O)n1

STK552894
Synonyms: 2-(diethylamino)ethyl4-({(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)benzoate
Smiles: CCN(CCOC(=O)c1ccc(cc1)N/C=C(\c1scc(n1)c1ccc2c(c1)OCO2)/C#N)CC

STK552895
Synonyms: (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccccc1C(F)(F)F)/c1scc(n1)c1ccc(cc1)Cl

STK844647
Synonyms: 1-benzyl-3-bromo-6-methoxy-2-methylquinolin-4(1H)-one
Smiles: COc1ccc2c(c1)c(=O)c(c(n2Cc1ccccc1)C)Br

STK552908
Synonyms: N-benzyl-4-{(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl}-6-methylpyrimidin-2-amine
Smiles: COc1cc(ccc1OC)/C(=N/Nc1cc(C)nc(n1)NCc1ccccc1)/C

STK552909
Synonyms: 2-methoxyethyl6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(c(c1)Cl)C

STK552912
Synonyms: (5Z)-2-[(3-chlorophenyl)amino]-5-(3-ethoxy-4-hydroxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1cccc(c1)Cl

STK552913
Synonyms: [1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl](5-nitrofuran-2-yl)methanone
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)c1ccc(o1)[N+](=O)[O-]

STK844650
Synonyms: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[4-(benzyloxy)-3-methoxyphenyl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)OC)OCc1ccccc1)/c1scc(n1)c1ccc2c(c1)OCO2

STK844651
Synonyms: 3-(4-chlorophenyl)-5-(2,3-dimethoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazole
Smiles: COc1cccc(c1OC)C1CC(=NN1S(=O)(=O)C)c1ccc(cc1)Cl

STK552917
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-N'-{(E)-[5-(3-nitrophenyl)furan-2-yl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N)N/N=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-]

STK844652
Synonyms: 2-methoxy-4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]phenylacetate
Smiles: COc1cc(ccc1OC(=O)C)/C=C/1\N=C(OC1=O)c1ccccc1

STK844653
Synonyms: 2-methoxyethyl6-[(2-amino-2-oxoethyl)sulfanyl]-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)N

STK552922
Synonyms: 2-methoxyethyl4-(4-chlorophenyl)-5-cyano-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1cccc(c1)OC

STK552923
Synonyms: N~4~-benzyl-N~2~-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COCCNc1nc(NCc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK552925
Synonyms: 4-[5-(4-bromophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)Br)c1cccs1

STK552928
Synonyms: N-[3-(morpholin-4-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine
Smiles: O1CCN(CC1)CCCNc1ncnc2c1[nH]c1c2cccc1

STK552934
Synonyms: 4-phenoxy-2-(pyridin-2-yl)quinazoline
Smiles: c1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccn1

STK844659
Synonyms: (2Z)-3-[(3-acetylphenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1)C(=O)C)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK552949
Synonyms: methyl1-methyl-2-thioxo-1,2-dihydropyridine-3-carboxylate
Smiles: COC(=O)c1cccn(c1=S)C

STK552950
Synonyms: [1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl][3-(difluoromethoxy)phenyl]methanone
Smiles: CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)C(=O)c1cccc(c1)OC(F)F

STK552951
Synonyms: N-(furan-2-ylmethyl)-2-[4-(propan-2-yloxy)phenyl]quinazolin-4-amine
Smiles: CC(Oc1ccc(cc1)c1nc(NCc2ccco2)c2c(n1)cccc2)C

STK552952
Synonyms: tert-butyl(8R,8aS,11aR)-10-(4-methylphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxylate
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=N1)C(=O)OC(C)(C)C

STK552957
Synonyms: 6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-2-(propan-2-yl)-8-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-4H-chromen-4-one
Smiles: CCc1cc2c(c(c1O)CN1CC3(CC1CC(C3)(C)C)C)oc(c(c2=O)c1nc2c(n1C)cccc2)C(C)C

STK844662
Synonyms: 2-(azepan-1-yl)-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Smiles: Fc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCCC1

STK552959
Synonyms: N~2~-(4-ethoxyphenyl)-N~4~-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(N)c(c(n1)Nc1ccc(cc1)C)[N+](=O)[O-]

STK552964
Synonyms: 4-bromo-2-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
Smiles: Clc1ccc(c(c1)Cl)C1NN=C(C1)c1cc(Br)ccc1O

STK552965
Synonyms: 3-(1H-benzimidazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yldiphenylcarbamate
Smiles: CCc1cc2c(cc1OC(=O)N(c1ccccc1)c1ccccc1)occ(c2=O)c1nc2c([nH]1)cccc2

STK552968
Synonyms: 2'-[benzyl(4-methoxyphenyl)carbamoyl]biphenyl-2-carboxylicacid
Smiles: COc1ccc(cc1)N(C(=O)c1ccccc1c1ccccc1C(=O)O)Cc1ccccc1

STK552974
Synonyms: ethyl5-bromo-3-{[3-(4-cyclohexylpiperazin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)C1CCCCC1)cc(cc2)Br

STK844664
Synonyms: 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenylmorpholine-4-carboxylate
Smiles: COc1ccc(c(c1)OC(=O)N1CCOCC1)C(=O)/C=C/c1cccs1

STK844665
Synonyms: 4-hydroxy-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: Oc1ccc(cc1)C(=O)NN1C(=S)S/C(=C\c2cccs2)/C1=O

STK552979
Synonyms: 2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2

STK844666
Synonyms: N-(furan-2-ylmethyl)-1,2-diphenylethanamine
Smiles: c1ccc(cc1)C(Cc1ccccc1)NCc1ccco1

STK552983
Synonyms: (2Z)-3-[(3,4-difluorophenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(c(c1)F)F)/c1scc(n1)c1ccc(cc1)F

STK552987
Synonyms: (3aR,4S,8aR,8bS)-2-(3-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@H](N1[C@@H]2CCC1)C(=O)c1ccccc1

STK552989
Synonyms: N~4~-benzyl-5-nitro-N~2~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(NCc2ccccc2)nc(nc1N)NCC1CCCO1

STK552993
Synonyms: 4-[4-methyl-5-nitro-6-(4-propylphenoxy)pyrimidin-2-yl]morpholine
Smiles: CCCc1ccc(cc1)Oc1nc(nc(c1[N+](=O)[O-])C)N1CCOCC1

STK844667
Synonyms: dimethyl5-({(Z)-2-cyano-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzene-1,3-dicarboxylate
Smiles: N#C/C(=C/Nc1cc(cc(c1)C(=O)OC)C(=O)OC)/c1scc(n1)c1ccc(c(c1)C)C

STK553000
Synonyms: 3-(4-bromophenyl)-4-oxo-4H-chromen-7-yl2-chlorobenzoate
Smiles: Brc1ccc(cc1)c1coc2c(c1=O)ccc(c2)OC(=O)c1ccccc1Cl

STK844670
Synonyms: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propyl-4H-chromen-7-ylmethanesulfonate
Smiles: CCCc1cc2c(cc1OS(=O)(=O)C)occ(c2=O)c1ccc2c(c1)OCCO2

STK844671
Synonyms: ethyl3-{[(3-bromo-6-methoxy-2-methyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1cccc(c1)NC(=O)Cn1c(C)c(Br)c(=O)c2c1ccc(c2)OC

STK553016
Synonyms: (2-chlorophenyl)[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]methanone
Smiles: CCOc1cc(ccc1OCC)CC1c2cc(OCC)c(cc2CCN1C(=O)c1ccccc1Cl)OCC

STK553017
Synonyms: N-(3-methoxypropyl)-2-(pyridin-4-yl)quinazolin-4-amine
Smiles: COCCCNc1nc(nc2c1cccc2)c1ccncc1

STK844672
Synonyms: 4-({(Z)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
Smiles: N#C/C(=C/Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK553023
Synonyms: 4-(3-methoxyphenoxy)-2-(pyridin-4-yl)quinazoline
Smiles: COc1cccc(c1)Oc1nc(nc2c1cccc2)c1ccncc1

STK553024
Synonyms: 3,7-bis(methylsulfanyl)-12-(propan-2-yl)-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Smiles: CSc1nnc2n1c1nnc(n1c1c2c2CC(OCc2s1)C(C)C)SC

STK553027
Synonyms: 2-methoxyethyl5H-benzimidazo[1',2':1,5]pyrrolo[2,3-b]quinoxaline-6-carboxylate
Smiles: COCCOC(=O)c1c2[nH]c3c(n2c2c1nc1ccccc1n2)cccc3

STK844673
Synonyms: 2-[5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol
Smiles: COc1cc(ccc1OC)C1NN=C(C1)c1cc(F)ccc1O

STK553028
Synonyms: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl4-chlorobutanoate
Smiles: ClCCCC(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1scc(n1)c1ccc(cc1)Br

STK844675
Synonyms: ethyl4-{[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)N/C=C(/c1nc2c(s1)cccc2)\C#N

STK844677
Synonyms: 2-(4-methoxyphenyl)-5-(prop-2-yn-1-ylsulfanyl)-1,3,4-oxadiazole
Smiles: COc1ccc(cc1)c1nnc(o1)SCC#C

STK844678
Synonyms: N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]-2-phenoxyacetamide
Smiles: O=C(Nc1cc(ccc1N1CCOCC1)c1nn(C)c(=O)c2c1cccc2)COc1ccccc1

STK553033
Synonyms: N~2~-cyclohexyl-N~4~-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1F)NC1CCCCC1

STK553041
Synonyms: 1,5-dimethyl-3,7-bis[(3-nitrophenyl)carbonyl]-3,7-diazabicyclo[3.3.1]nonan-9-one
Smiles: O=C1C2(C)CN(CC1(C)CN(C2)C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-]

STK553044
Synonyms: ethyl5-{2-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-2-oxoethoxy}-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OCC(=O)N/N=C/c1ccc(cc1)Br)cc2)C

STK844679
Synonyms: (5Z)-5-(4-hydroxy-3-methoxybenzylidene)-2-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4(5H)-one
Smiles: COc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1cccc(c1)C(F)(F)F

STK553047
Synonyms: 4-[(3-fluorobenzyl)sulfanyl]-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: CSc1nc(SCc2cccc(c2)F)c2c(n1)sc1c2CCCC1

STK844681
Synonyms: (4-ethoxyphenyl)(1-hydroxy-1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-yl)methanone
Smiles: CCOc1ccc(cc1)C(=O)c1nc2c(n1O)CCCCC2

STK553050
Synonyms: 2,2,2-trichloro-1-(1H-indol-3-yl)ethanone
Smiles: O=C(C(Cl)(Cl)Cl)c1c[nH]c2c1cccc2

STK844683
Synonyms: 2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine
Smiles: COc1cccc(c1)Nc1nc(nc2c1cccc2)c1ccccc1F

STK553053
Synonyms: 3-(4-bromophenyl)-2-methyl-4-oxo-4H-chromen-7-yl4-chlorobenzoate
Smiles: Clc1ccc(cc1)C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)Br)C

STK844684
Synonyms: N~2~-(4-methoxyphenyl)-N~4~-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(cc1)Nc1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-]

STK844685
Synonyms: 6-({2-[(2-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2Cl)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1)C

STK553057
Synonyms: 2-methoxyethyl4-(4-chlorophenyl)-5-cyano-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1c(C)cc(cc1C)C

STK553058
Synonyms: 2-(azepan-1-yl)-N-benzyl-5-nitropyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(NCc2ccccc2)nc(nc1N)N1CCCCCC1

STK553060
Synonyms: (5Z)-2-[(2,3-dichlorophenyl)amino]-5-(2,5-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: COc1ccc(c(c1)/C=C/1\SC(=NC1=O)Nc1cccc(c1Cl)Cl)OC

STK553063
Synonyms: (5Z)-3-benzyl-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)Cc1ccccc1

STK553067
Synonyms: (2Z)-2-[4-(naphthalen-2-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccccc1C(F)(F)F)/c1scc(n1)c1ccc2c(c1)cccc2

STK553069
Synonyms: 2-methoxy-6-[4-(piperidin-1-yl)quinazolin-2-yl]phenol
Smiles: COc1cccc(c1O)c1nc2ccccc2c(n1)N1CCCCC1

STK844686
Synonyms: (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1F)Br)/c1scc(n1)c1cccc2c1cccc2

STK844687
Synonyms: 5-methyl-2-(propan-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)C1)C(C)C

STK553074
Synonyms: (5Z)-5-(2,5-dimethoxybenzylidene)-2-[(2,3-dimethylphenyl)amino]-1,3-thiazol-4(5H)-one
Smiles: COc1ccc(c(c1)/C=C/1\SC(=NC1=O)Nc1cccc(c1C)C)OC

STK844688
Synonyms: 2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
Smiles: Cc1ccc(cc1S(=O)(=O)NCC1CCCO1)c1nn(C)c(=O)c2c1cccc2

STK553076
Synonyms: 2-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoicacid
Smiles: CSCCC(N1C(=S)S/C(=C\c2cccc(c2)F)/C1=O)C(=O)O

STK844689
Synonyms: (2Z)-3-[(3-acetylphenyl)amino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1)C(=O)C)/c1scc(n1)c1ccc(c(c1)OC)OC

STK553078
Synonyms: 4-[4-(3-chlorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Smiles: Clc1cccc(c1)N1CCN(CC1)c1ncnc2c1[nH]c1c2cccc1

STK553082
Synonyms: 5,7-diiodoquinolin-8-yldimethylcarbamate
Smiles: O=C(N(C)C)Oc1c(I)cc(c2c1nccc2)I

STK844691
Synonyms: (5Z)-3-(3-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cccc(c1)N1C(=S)S/C(=C\c2cccs2)/C1=O

STK844692
Synonyms: (2Z)-3-[(3-acetylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1)C(=O)C)/c1scc(n1)c1ccc(cc1)F

STK553094
Synonyms: ethyl3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-4-oxo-4H-chromene-2-carboxylate
Smiles: CCOC(=O)c1oc2c(CN3CCCCC3C)c(O)c(cc2c(=O)c1c1ccc2c(c1)OCCO2)CC

STK553097
Synonyms: 4-butyl-N-(furan-2-ylmethyl)-2,3,5a,10b-tetrahydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncnc3NCc1ccco1

STK553105
Synonyms: N-[2-{(2Z)-2-[(2E)-3-phenylprop-2-en-1-ylidene]hydrazinyl}-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetamide
Smiles: CC(=O)Nc1sc(nc1c1cccs1)N/N=C\C=C\c1ccccc1

STK844694
Synonyms: 3-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2H-chromen-7-ylmorpholine-4-carboxylate
Smiles: O=C(N1CCOCC1)Oc1ccc2c(c1)oc(=O)c(c2)c1scc(n1)C

STK553112
Synonyms: 7,8-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Smiles: COc1cc2c(cc1OC)[nH]c1c2ncnc1N1CCN(CC1)c1ccccc1OC

STK844695
Synonyms: 3-chloro-N-{(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)Cl

STK553118
Synonyms: 2-hydroxy-N-{(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1O

STK553119
Synonyms: 2-chloro-6-methyl-3-[1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
Smiles: Cc1ccc2c(c1)cc(c(n2)Cl)C1CC(=NN1S(=O)(=O)C)c1cccs1

STK844696
Synonyms: 7-chloroquinolin-4-yldiphenylcarbamate
Smiles: Clc1ccc2c(c1)nccc2OC(=O)N(c1ccccc1)c1ccccc1

STK553123
Synonyms: (5Z)-5-(3-fluorobenzylidene)-3-(3-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)O

STK553124
Synonyms: N'-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]benzohydrazide
Smiles: O=C(c1ccccc1)NNC=C1C(=O)NC(=S)NC1=O

STK553127
Synonyms: 2-{2-[6-methyl-2-phenyl-5-(prop-2-en-1-yl)pyrimidin-4-yl]hydrazinylidene}dihydropyrimidine-4,6(1H,5H)-dione
Smiles: C=CCc1c(NN=C2NC(=O)CC(=O)N2)nc(nc1C)c1ccccc1

STK844697
Synonyms: (5Z)-3-(3,5-dichlorophenyl)-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Clc1cc(Cl)cc(c1)N1C(=S)S/C(=C\c2cccs2)/C1=O

STK553133
Synonyms: 1-methoxypropan-2-yl2-amino-1-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COCC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)F)C

STK844700
Synonyms: N~2~-benzyl-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(cc1)Nc1nc(NCc2ccccc2)nc(c1[N+](=O)[O-])N

STK553136
Synonyms: N-(2,5-dimethoxyphenyl)-2-(pyridin-4-yl)quinazolin-4-amine
Smiles: COc1ccc(c(c1)Nc1nc(nc2c1cccc2)c1ccncc1)OC

STK844701
Synonyms: 5,5,5-trifluoro-4-hydroxy-4-(9-methyl-9H-carbazol-3-yl)pentan-2-one
Smiles: CC(=O)CC(C(F)(F)F)(c1ccc2c(c1)c1ccccc1n2C)O

STK553141
Synonyms: 2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)C1C(=C(SCC(=O)Nc2cccc(c2)OC)NC2=C1C(=O)CC(C2)(C)C)C#N

STK844702
Synonyms: 5-methoxy-2-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]phenylbenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccccc1)C(=O)/C=C/c1cccs1

STK844703
Synonyms: 4-[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]phenylacetate
Smiles: N#C/C(=C/c1ccc(cc1)OC(=O)C)/c1scc(n1)c1ccccc1

STK553148
Synonyms: 2-chloro-N-(4-chlorophenyl)-5-nitropyrimidine-4,6-diamine
Smiles: Clc1ccc(cc1)Nc1nc(Cl)nc(c1[N+](=O)[O-])N

STK553151
Synonyms: 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-4-(piperidin-1-yl)quinazoline
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CCCCC1)c1ccc(c(c1)OC)OC

STK553154
Synonyms: 4-chloro-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
Smiles: CN1CCN(CC1)c1nc2ccccc2nc1NS(=O)(=O)c1ccc(cc1)Cl

STK553155
Synonyms: methyl(4-hydroxy-6-methyl-2-phenylpyrimidin-5-yl)acetate
Smiles: COC(=O)Cc1c(C)nc(nc1O)c1ccccc1

STK553156
Synonyms: 1,5-dimethyl-4-{[4-nitro-7-(piperidin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: [O-][N+](=O)c1c(Nc2c(C)n(n(c2=O)c2ccccc2)C)cc(c2c1non2)N1CCCCC1

STK553158
Synonyms: 9,10-dimethyl-9,10-dihydrophenanthrene-9,10-diol
Smiles: CC1(O)c2ccccc2c2c(C1(C)O)cccc2

STK553169
Synonyms: N-[(E)-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl](phenyl)methylidene]benzenesulfonamide
Smiles: CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)/C(=N/S(=O)(=O)c1ccccc1)/c1ccccc1

STK844712
Synonyms: ethyl5-amino-1-[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]-1H-pyrazole-4-carboxylate
Smiles: CCOC(=O)c1cnn(c1N)c1nc(SC)nc2c1c1CCCc1s2

STK553175
Synonyms: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-6-propyl-4H-chromen-7-yldiphenylcarbamate
Smiles: CCCc1cc2c(cc1OC(=O)N(c1ccccc1)c1ccccc1)oc(c(c2=O)c1ccc2c(c1)OCCO2)C

STK553178
Synonyms: 5-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1ccc(cc1)F)c1cccs1

STK553182
Synonyms: (2Z)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-[4-(naphthalen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)OC)OCc1ccccc1)/c1scc(n1)c1ccc2c(c1)cccc2

STK553190
Synonyms: (2Z)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)OC)OCc1ccccc1)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK553192
Synonyms: (4bR,7aS,8R)-6-(3-fluorophenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Fc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2C=CC=N1)C(=O)c1ccccc1

STK844716
Synonyms: 2-[(9-tert-butyl-1,5-dicyano-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)sulfanyl]-N-phenylacetamide
Smiles: N#CC1C(=O)NC(=C(C21CCC(CC2)C(C)(C)C)C#N)SCC(=O)Nc1ccccc1

STK553201
Synonyms: (5Z)-2-[(2-chlorophenyl)amino]-5-(1H-indol-3-ylmethylidene)-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1c[nH]c2c1cccc2)Nc1ccccc1Cl

STK844718
Synonyms: 4-(3-chlorophenoxy)-2-(pyridin-4-yl)quinazoline
Smiles: Clc1cccc(c1)Oc1nc(nc2c1cccc2)c1ccncc1

STK553212
Synonyms: 2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
Smiles: CCC1(C)OCc2c(C1)c1c(SCC(=O)c3ccc(cc3)F)nc(nc1s2)SC

STK844719
Synonyms: 6-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(SCc2nc3c([nH]2)cccc3)nc(c2c1CC(C)(C)OC2)N1CCOCC1

STK553215
Synonyms: 2-(3,5-dimethylpiperidin-1-yl)-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1CC(C)CN(C1)c1nc(Nc2ccccc2F)c(c(n1)N)[N+](=O)[O-]

STK553216
Synonyms: 3-(4-bromophenyl)-4-oxo-4H-chromen-7-yldiphenylcarbamate
Smiles: Brc1ccc(cc1)c1coc2c(c1=O)ccc(c2)OC(=O)N(c1ccccc1)c1ccccc1

STK553217
Synonyms: 2-(3,4-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)-7-ethoxy-6-methoxyquinazoline
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CC(C)OC(C1)C)c1ccc(c(c1)OC)OC

STK553218
Synonyms: N~2~-(4-chlorophenyl)-N~4~-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Clc1ccc(cc1)Nc1nc(Nc2ccccc2F)c(c(n1)N)[N+](=O)[O-]

STK553223
Synonyms: 1-amino-N,N-dibutyl-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
Smiles: CCCCN(C(=O)c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1)CCCC

STK553225
Synonyms: 4-[(5Z)-5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoicacid
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)CCCC(=O)O

STK844722
Synonyms: 3-amino-5-oxo-N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CCCC1=O)Nc1cccc(c1)C(F)(F)F

STK553228
Synonyms: (3aR,4S,8aS,8bS)-2-(2-methoxy-5-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@H]2CCC1)C(=O)c1ccccc1)[N+](=O)[O-]

STK844723
Synonyms: 4-chloro-3-fluoro[1,4]benzodioxino[2,3-c]pyridin-1-ol
Smiles: Oc1nc(F)c(c2c1Oc1ccccc1O2)Cl

STK553233
Synonyms: methyl5-bromo-1-(5-methyl-1,2-oxazol-3-yl)-6-oxo-1,6-dihydropyridine-3-carboxylate
Smiles: COC(=O)c1cc(Br)c(=O)n(c1)c1noc(c1)C

STK553241
Synonyms: N-[3-(diethylamino)propyl]-9-fluoro-7-hydroxy-3-methyl-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
Smiles: CCN(CCCNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)C(C)CC3)CC

STK553245
Synonyms: 2-methoxyethyl4-(4-chlorophenyl)-5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccccc1CC

STK844724
Synonyms: 4-(4-chlorophenyl)-N,N-diethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
Smiles: CCN(C(=O)c1ccc2c(c1)C1C=CCC1C(N2)c1ccc(cc1)Cl)CC

STK553250
Synonyms: 8-fluoro-4-[4-(4-nitrophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Smiles: Fc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

STK553252
Synonyms: 2-[(5Z)-5-(2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoicacid
Smiles: CSCCC(N1C(=S)S/C(=C\c2ccccc2OC)/C1=O)C(=O)O

STK844725
Synonyms: N',N'-dimethyl-N-(2,2,3,3-tetracyano-4-methylcyclopentyl)acetohydrazide
Smiles: N#CC1(C#N)C(CC(C1(C#N)C#N)C)N(C(=O)C)N(C)C

STK844727
Synonyms: N-[(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-methoxybenzamide
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1OC

STK844728
Synonyms: (2Z)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-fluorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(c(c1)Cl)F)/c1scc(n1)c1cccc(c1)Br

STK844729
Synonyms: N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]-2-(4-methylphenoxy)acetamide
Smiles: O=C(Nc1cc(ccc1N1CCOCC1)c1nn(C)c(=O)c2c1cccc2)COc1ccc(cc1)C

STK553266
Synonyms: 2-methoxyethyl6-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1cccc(c1C)Cl

STK844730
Synonyms: 4-chloro-2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
Smiles: Clc1ccc(c(c1)C1=NNC(C1)c1ccccc1Cl)O

STK553274
Synonyms: N-[(5Z)-5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-methylbenzamide
Smiles: COc1cccc(c1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)C

STK553276
Synonyms: ethyl3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1cccc(c1)NC(=O)Cn1c(C)c(Br)c(=O)c2c1c(C)ccc2

STK844731
Synonyms: 1,1'-[(2-oxo-2,3-dihydro-1H-indole-3,3-diyl)dibenzene-4,1-diyl]dipyrrolidine-2,5-dione
Smiles: O=C1CCC(=O)N1c1ccc(cc1)C1(c2ccc(cc2)N2C(=O)CCC2=O)C(=O)Nc2c1cccc2

STK553281
Synonyms: (2E)-3-(furan-2-yl)-N-[(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]prop-2-enamide
Smiles: S=C(NC(=O)/C=C/c1ccco1)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK844732
Synonyms: (5Z)-3-(2,3-dimethylphenyl)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1C)C

STK844735
Synonyms: N~4~-(2-fluorophenyl)-5-nitro-N~2~-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine
Smiles: C=CCNc1nc(Nc2ccccc2F)c(c(n1)N)[N+](=O)[O-]

STK844736
Synonyms: 2,3,5-trimethyl-6-(thiophen-2-yl)pyrazine1,4-dioxide
Smiles: [O-][n+]1c(c2cccs2)c(C)[n+](c(c1C)C)[O-]

STK553296
Synonyms: 2-[4-(2,6-dimethylmorpholin-4-yl)quinazolin-2-yl]phenol
Smiles: CC1OC(C)CN(C1)c1nc(nc2c1cccc2)c1ccccc1O

STK553297
Synonyms: 2-chloro-N-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1Cl

STK553298
Synonyms: 12-(propan-2-yl)-9-(propan-2-ylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Smiles: CC(Sc1nnc2n1c(=O)c1c(n2C(C)C)c2ccccc2CC21CCCCC2)C

STK844737
Synonyms: 2-bromo-N-{(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1Br

STK553306
Synonyms: 6-{(E)-[(2E)-(5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl}-2,3-dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)/C=N/N=C/1\NC(=O)C(S1)CC(=O)Nc1ccc(cc1)Cl

STK553310
Synonyms: 5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: CCOc1ccc(cc1)C1C(=C(SCC(=O)Nc2ccccc2C)NC(=C1C(=O)Nc1ccccc1)C)C#N

STK844739
Synonyms: ethyl2-({(E)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C/Nc1ccccc1C(=O)OCC)/C#N

STK844741
Synonyms: 2-nitro-N-[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]benzamide
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)NC(=O)c2ccccc2[N+](=O)[O-])cc(c1OC)OC

STK553314
Synonyms: (5Z)-2-[(4-chlorophenyl)amino]-5-(2,3-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: COc1cccc(c1OC)/C=C/1\SC(=NC1=O)Nc1ccc(cc1)Cl

STK553316
Synonyms: diethyl(1H-indol-3-ylmethylidene)propanedioate
Smiles: CCOC(=O)C(=Cc1c[nH]c2c1cccc2)C(=O)OCC

STK844743
Synonyms: (5Z)-5-(2,3-dimethoxybenzylidene)-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cccc(c1OC)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)O

STK553331
Synonyms: (2E)-[2-(4-ethoxyphenyl)hydrazinylidene][4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethanenitrile
Smiles: CCOc1ccc(cc1)N/N=C(/c1scc(n1)c1cc2ccccc2oc1=O)\C#N

STK553334
Synonyms: 4-butyl-7-methoxy-2,3,5a,10b-tetrahydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncnc3OC

STK553335
Synonyms: (4bR,7aS,8R)-6-(4-fluorophenyl)-8-[(4-methoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)F

STK553337
Synonyms: 4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: N#Cc1c(=O)[nH]c(cc1c1ccc(cc1)N(C)C)C

STK553339
Synonyms: 2-(pyridin-4-yl)-4-(2,4,6-trimethylphenoxy)quinazoline
Smiles: Cc1cc(C)c(c(c1)C)Oc1nc(nc2c1cccc2)c1ccncc1

STK553340
Synonyms: N~2~,N~4~-bis(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1cccc(c1)Nc1nc(N)c(c(n1)Nc1cccc(c1)C)[N+](=O)[O-]

STK553346
Synonyms: (5Z)-2-[(4-chlorophenyl)amino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: COc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1ccc(cc1)Cl

STK553348
Synonyms: 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1F)C

STK553353
Synonyms: 1-(4-bromophenyl)-2-[(2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
Smiles: CCc1nc(SCC(=O)c2ccc(cc2)Br)c2c(n1)sc1c2CCC1

STK553357
Synonyms: (5Z)-2-[(3-bromophenyl)amino]-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-1,3-thiazol-4(5H)-one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=NC1=O)Nc1cccc(c1)Br

STK844747
Synonyms: 2-{4-[4-(morpholin-4-yl)phthalazin-1-yl]phenoxy}-1-(piperidin-1-yl)ethanone
Smiles: O=C(N1CCCCC1)COc1ccc(cc1)c1nnc(c2c1cccc2)N1CCOCC1

STK553359
Synonyms: ethyl3-({3-[4-(ethoxycarbonyl)piperazin-1-yl]propanoyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)CCC(=O)Nc1c([nH]c2c1cccc2)C(=O)OCC

STK844749
Synonyms: (2E)-2-(1,3-benzothiazol-2-yl)-3-[(3,4-dimethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)C)C)/c1nc2c(s1)cccc2

STK844750
Synonyms: N-[2-hydroxy-3-(morpholin-4-yl)propyl]-4-methyl-N-phenylbenzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1)CN1CCOCC1

STK801750
Synonyms: N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide
Smiles: COc1ccccc1N(S(=O)(=O)c1ccccc1)CC1CO1

STK844752
Synonyms: (2Z)-[2-(4-chlorophenyl)hydrazinylidene][4-(naphthalen-2-yl)-1,3-thiazol-2-yl]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)Cl)/c1scc(n1)c1ccc2c(c1)cccc2

STK553369
Synonyms: (5Z)-3-[4-(diethylamino)phenyl]-5-(3-fluorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCN(c1ccc(cc1)N1C(=S)S/C(=C\c2cccc(c2)F)/C1=O)CC

STK553372
Synonyms: 7-[(3-chlorobenzyl)oxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4H-chromen-4-one
Smiles: CCc1cc2c(cc1OCc1cccc(c1)Cl)oc(c(c2=O)c1ccc2c(c1)OCCO2)C

STK553373
Synonyms: N~4~-benzyl-N~2~-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CC(CCNc1nc(NCc2ccccc2)c(c(n1)N)[N+](=O)[O-])C

STK553376
Synonyms: 2-(methylsulfanyl)-4-(pyrrolidin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: CSc1nc2sc3c(c2c(n1)N1CCCC1)CCCC3

STK553377
Synonyms: (2E)-3-phenyl-N-{[2-(pyrazin-2-ylcarbonyl)hydrazinyl]carbonothioyl}prop-2-enamide
Smiles: S=C(NC(=O)/C=C/c1ccccc1)NNC(=O)c1cnccn1

STK553378
Synonyms: (5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-3-(phenylamino)-2-thioxo-1,3-thiazolidin-4-one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)Nc1ccccc1

STK553383
Synonyms: ethyl2-({(E)-2-cyano-2-[4-(naphthalen-2-yl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(N/C=C(/c2scc(n2)c2ccc3c(c2)cccc3)\C#N)sc2c1CCCC2

STK553384
Synonyms: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1C(F)(F)F)Cl)/c1scc(n1)c1ccc2c(c1)OCO2

STK553388
Synonyms: 2-amino-3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-4H-chromen-4-one
Smiles: Oc1ccc2c(c1CN1CC3(CC1CC(C3)(C)C)C)oc(c(c2=O)c1nc2c(s1)cccc2)N

STK553394
Synonyms: (5Z)-2-[(3,4-dimethylphenyl)amino]-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1cccs1)Nc1ccc(c(c1)C)C

STK553397
Synonyms: (2Z)-[2-(4-bromophenyl)hydrazinylidene](4-phenyl-1,3-thiazol-2-yl)ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)Br)/c1scc(n1)c1ccccc1

STK553406
Synonyms: 1,1'-methanediylbis{3-[2-hydroxy-3-(2-methyl-1H-imidazol-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione}
Smiles: OC(Cn1ccnc1C)CN1C(=O)N(C(C1=O)(C)C)CN1C(=O)N(C(=O)C1(C)C)CC(Cn1ccnc1C)O

STK553409
Synonyms: 4-({(E)-2-cyano-2-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]ethenyl}amino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)/c1scc(n1)c1cccs1

STK553411
Synonyms: methyl4-{[(1E)-8-hydroxy-3-(morpholin-4-yl)-4-oxonaphthalen-1(4H)-ylidene]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)/N=C/1\C=C(N2CCOCC2)C(=O)c2c1c(O)ccc2

STK553412
Synonyms: N-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-methylbenzamide
Smiles: Cc1ccc(cc1)C(=O)NN1C(=S)S/C(=C\c2cccc(c2)F)/C1=O

STK844758
Synonyms: 3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-yl3-methoxybenzoate
Smiles: COc1cccc(c1)C(=O)Oc1ccc2c(c1)occ(c2=O)c1nc2c(s1)cccc2

STK553419
Synonyms: N-carbamimidoyl-4-({(E)-2-cyano-2-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)NC(=N)N)/c1scc(n1)c1cccs1

STK553421
Synonyms: 2-methoxyethyl4-(4-chlorophenyl)-6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1cccc(c1)Cl

STK553422
Synonyms: 2-[(5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoicacid
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C

STK844760
Synonyms: (2Z)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(c(c1)Cl)F)/c1scc(n1)c1ccc(cc1)OC

STK553423
Synonyms: ethyl5-methoxy-3-phenyl-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1c1ccccc1)cc(cc2)OC

STK844762
Synonyms: 4-(6-methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde
Smiles: O=CN1CCN(CC1)c1nc2ccc(cc2c(n1)c1ccccc1)C

STK553425
Synonyms: 2-[(4-amino-6-propyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-phenylethanone
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCC(=O)c1ccccc1

STK553429
Synonyms: 2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2

STK553430
Synonyms: 3-[1-acetyl-3-(furan-2-yl)-4,5-dihydro-1H-pyrazol-5-yl]-6-methylquinolin-2(1H)-one
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)C1CC(=NN1C(=O)C)c1ccco1

STK553432
Synonyms: 3-bromo-N'-[(4-nitrophenyl)carbonyl]-2-oxo-2H-pyran-5-carbohydrazide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])NNC(=O)c1coc(=O)c(c1)Br

STK553433
Synonyms: 2-amino-9-(3-methoxyphenyl)-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-3-carbonitrile
Smiles: COc1cccc(c1)C1CC(=O)Nc2c1c1nc(N)c(c(c1s2)C)C#N

STK553439
Synonyms: (2E)-N-(2-chlorophenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)ethanamide
Smiles: O=C1CS/C(=C/C(=O)Nc2ccccc2Cl)/N1

STK553441
Synonyms: 2-(3,5-dimethylpiperidin-1-yl)-N-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: COc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CC(C)CC(C1)C

STK553447
Synonyms: 2-(4-ethylpiperazin-1-yl)-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2ccc(cc2)F)c(c(n1)N)[N+](=O)[O-]

STK553449
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)NCc1ccc2c(c1)OCO2

STK844767
Synonyms: 2,3-dihydronaphtho[1,8-bc][1,5]thiazocin-4(5H)-one
Smiles: O=C1CCSc2c3c(N1)cccc3ccc2

STK844768
Synonyms: ethyl4-(2-chlorophenyl)-5-cyano-6-(methylsulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Smiles: CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SC)c1ccccc1

STK553455
Synonyms: 7-[(2-chloro-4-fluorobenzyl)oxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4H-chromen-4-one
Smiles: CCc1cc2c(cc1OCc1ccc(cc1Cl)F)occ(c2=O)c1ccc2c(c1)OCCO2

STK553460
Synonyms: N-[2-hydroxy-3-(pyrrolidin-1-yl)propyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C)CN1CCCC1

STK553461
Synonyms: 4-butyl-N-[2-(morpholin-4-yl)ethyl]-2,3,5a,10b-tetrahydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncnc3NCCN1CCOCC1

STK553463
Synonyms: 9-chloro-6-(trifluoromethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylicacid
Smiles: OC(=O)C1Nc2c(C3C1CC=C3)c(Cl)ccc2C(F)(F)F

STK553464
Synonyms: N~2~-cyclohexyl-N~4~-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Cc1cccc(c1)Nc1nc(NC2CCCCC2)nc(c1[N+](=O)[O-])N

STK553465
Synonyms: [(5Z)-5-(2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl](phenyl)aceticacid
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)C(=O)O

STK553466
Synonyms: N~2~-[3-(dimethylamino)propyl]-N~4~-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CN(CCCNc1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-])C

STK553467
Synonyms: (2E)-[2-(4-chlorophenyl)hydrazinylidene][4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethanenitrile
Smiles: N#C/C(=N\Nc1ccc(cc1)Cl)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK553474
Synonyms: ethyl3-{[3-(3,3-dimethylpiperidin-1-yl)propanoyl]amino}-5,6-dimethoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCC(C1)(C)C)cc(c(c2)OC)OC

STK844774
Synonyms: (2E)-3-[(4-bromo-2-fluorophenyl)amino]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1F)Br)/c1scc(n1)c1ccc(cc1)OC

STK844776
Synonyms: 2-amino-9-(3,4-dimethoxyphenyl)-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-3-carbonitrile
Smiles: COc1cc(ccc1OC)C1CC(=O)Nc2c1c1nc(N)c(c(c1s2)C)C#N

STK553476
Synonyms: 2-(4-tert-butylphenoxy)-6-phenylpyrimidine-4-carbonitrile
Smiles: N#Cc1nc(Oc2ccc(cc2)C(C)(C)C)nc(c1)c1ccccc1

STK553482
Synonyms: 8-[(7-hydroxy-9-oxo-6,10-dioxaspiro[4.5]dec-7-en-8-yl)(phenyl)methyl]-6,10-dioxaspiro[4.5]decane-7,9-dione
Smiles: O=C1OC2(CCCC2)OC(=O)C1C(C1=C(O)OC2(OC1=O)CCCC2)c1ccccc1

STK553486
Synonyms: 4-(2-fluorophenoxy)-2-(pyridin-4-yl)quinazoline
Smiles: Fc1ccccc1Oc1nc(nc2c1cccc2)c1ccncc1

STK553494
Synonyms: 8-methyl-N-[2-(morpholin-4-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
Smiles: Cc1ccc2c(c1)c1ncnc(c1[nH]2)NCCN1CCOCC1

STK553498
Synonyms: 1-[5-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(piperidin-1-yl)ethanone
Smiles: Brc1ccc(cc1)C1=NN(C(C1)c1nc2c([nH]1)cccc2)C(=O)CN1CCCCC1

STK553499
Synonyms: 2-methoxyethyl6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)NC(C)(C)C

STK553500
Synonyms: 1-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-(4-phenylpiperazin-1-yl)ethanone
Smiles: CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)C(=O)CN1CCN(CC1)c1ccccc1

STK553501
Synonyms: 2-methoxyethyl4-(4-chlorophenyl)-5-cyano-6-{[2-(diphenylamino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)N(c1ccccc1)c1ccccc1

STK844779
Synonyms: methyl4-{(Z)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}benzoate
Smiles: N#C/C(=C/c1ccc(cc1)C(=O)OC)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK553505
Synonyms: N-[2-hydroxy-3-(piperidin-1-yl)propyl]-2-methyl-N-phenylbenzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccccc1C)c1ccccc1)CN1CCCCC1

STK553508
Synonyms: ethyl{[3-cyano-4-(3,5-dibromo-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1cc(Br)c(c(c1)Br)O

STK553516
Synonyms: 4-(4-chlorophenoxy)-2-(pyridin-2-yl)quinazoline
Smiles: Clc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccn1

STK553518
Synonyms: 2,4-dichloro-N-[(5Z)-5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: COc1cccc(c1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1Cl)Cl

STK553519
Synonyms: 2-{4-[(3-methoxyphenyl)amino]quinazolin-2-yl}phenol
Smiles: COc1cccc(c1)Nc1nc(nc2c1cccc2)c1ccccc1O

STK553524
Synonyms: prop-2-en-1-yl2-amino-1-(4-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: C=CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)C

STK553526
Synonyms: 2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC2=C(C1c1ccc(cc1)OC)C(=O)CC(C2)(C)C

STK553530
Synonyms: ethyl1-(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)Br

STK844784
Synonyms: 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl3-methoxybenzoate
Smiles: COc1cccc(c1)C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1nc2c(s1)cccc2)C

STK553537
Synonyms: 2-methoxy-6-{4-[(1-phenylethyl)amino]quinazolin-2-yl}phenol
Smiles: COc1cccc(c1O)c1nc(NC(c2ccccc2)C)c2c(n1)cccc2

STK553544
Synonyms: 3-(4-nitrophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Smiles: O=C1N(C(=O)CC21ON=C(C2)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK553546
Synonyms: 4-(2,6-dimethylmorpholin-4-yl)-8-methoxy-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CC(C)OC(C1)C

STK553547
Synonyms: methyl3-{[2-(pyridin-2-yl)quinazolin-4-yl]amino}benzoate
Smiles: COC(=O)c1cccc(c1)Nc1nc(nc2c1cccc2)c1ccccn1

STK553549
Synonyms: 4-(4-hydroxy-3-methoxyphenyl)-2-[(naphthalen-1-ylmethyl)sulfanyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2cccc3c2cccc3)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2

STK844786
Synonyms: 2-(4-bromophenyl)-3,5-dimethyl-6-phenylpyrazine1,4-dioxide
Smiles: Brc1ccc(cc1)c1c(C)[n+]([O-])c(c([n+]1[O-])c1ccccc1)C

STK553550
Synonyms: 4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-methoxyphenyl4-chlorobenzoate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2c2cccc(c2)[N+](=O)[O-])c2nonc2N)ccc1OC(=O)c1ccc(cc1)Cl

STK553558
Synonyms: 7-(4-chlorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: COc1cc(OC)ccc1C1=CC(n2c(N1)nnn2)c1ccc(cc1)Cl

STK553559
Synonyms: 2'-(2,5-dimethylphenyl)-7'-methoxy-4-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCC(CC1)c1ccccc1)N1C2CC(=N1)c1cc(C)ccc1C

STK553563
Synonyms: (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(3-nitrophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-]

STK844787
Synonyms: ethyl4-{[({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]methyl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)CNC(=O)CSc1nnc(o1)c1ccncc1

STK553567
Synonyms: 1-benzyl-2'-(2,4-dimethoxyphenyl)-7'-methoxy-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1ccc(c(c1)OC)C1=NN2C(C1)c1cccc(c1OC12CCN(CC1)Cc1ccccc1)OC

STK553576
Synonyms: 1-benzyl-7'-methoxy-2'-(naphthalen-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)Cc1ccccc1)N1C2CC(=N1)c1ccc2c(c1)cccc2

STK553577
Synonyms: 3-chloro-N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: Clc1cccc(c1)C(=O)NN1C(=S)S/C(=C\c2ccccn2)/C1=O

STK553578
Synonyms: 2-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioicacid
Smiles: OC(=O)C(N1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O)CC(=O)O

STK553580
Synonyms: (3aS,4R,9aS,9bR)-2-(4-methylphenyl)-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Smiles: N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1ccc(cc1)C)C(=O)c1cccc(c1)[N+](=O)[O-]

STK844788
Synonyms: 1-[9'-bromo-2'-(thiophen-2-yl)-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-1-yl]ethanone
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)C(=O)C)c1cccs1

STK553583
Synonyms: 1-[9'-bromo-2'-(2-fluorophenyl)-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-1-yl]ethanone
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)C(=O)C)c1ccccc1F

STK553586
Synonyms: 2-(cyclohexylamino)-1-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]ethanone
Smiles: CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)C(=O)CNC1CCCCC1

STK553588
Synonyms: 9'-bromo-1-ethyl-2'-(furan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccco1)Br

STK553594
Synonyms: N-(1,1,1,3,3,3-hexafluoro-2-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]amino}propan-2-yl)pyridine-3-carboxamide
Smiles: O=C(c1cccnc1)NC(C(F)(F)F)(C(F)(F)F)Nc1nc2c(s1)cc(cc2)S(=O)(=O)C

STK553596
Synonyms: ethyl4-{[(2,6-dimethylmorpholin-4-yl)acetyl]amino}-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CC(C)OC(C1)C)c(OC)cc2)C

STK553602
Synonyms: 2,4-dichloro-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NN1C(=S)S/C(=C\c2cccs2)/C1=O

STK553605
Synonyms: 1-{2'-[2-(difluoromethoxy)phenyl]-7'-methoxy-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-1-yl}ethanone
Smiles: COc1cccc2c1OC1(CCN(CC1)C(=O)C)N1C2CC(=N1)c1ccccc1OC(F)F

STK553612
Synonyms: 2-bromo-N-[(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1Br

STK553627
Synonyms: N-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-hydroxybenzamide
Smiles: Oc1ccc(cc1)C(=O)NN1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O

STK553629
Synonyms: 3-chloro-N-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: Clc1cccc(c1)C(=O)NN1C(=S)S/C(=C\c2cccs2)/C1=O

STK553635
Synonyms: 8-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-5H-pyrimido[5,4-b]indol-4-amine
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)N(CC1OCCO1)C

STK553639
Synonyms: 6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-ol
Smiles: Oc1nnnc2c1c1CC(C)(C)OCc1s2

STK553642
Synonyms: 2-amino-4-(methylsulfanyl)-6-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]sulfanyl}pyrimidine-5-carbonitrile
Smiles: N#Cc1c(SCC(=O)C23CC4CC(C3)CC(C2)C4)nc(nc1SC)N

STK553646
Synonyms: N-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-methoxy-4-methylbenzenesulfonamide
Smiles: CCNc1nc(OC)nc(n1)N(S(=O)(=O)c1ccc(cc1)C)OC

STK844792
Synonyms: ethyl2-[(4-methoxy-4-oxobutanoyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CCC(=O)OC)sc2c1CC(C)(C)SC2

STK553659
Synonyms: 2'-(4-chlorophenyl)-7'-methoxy-4-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCC(CC1)c1ccccc1)N1C2CC(=N1)c1ccc(cc1)Cl

STK553660
Synonyms: 3-{5-[(4-bromobenzyl)sulfanyl]-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl}pyridine
Smiles: Brc1ccc(cc1)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK553661
Synonyms: 2'-[4-(phenylsulfanyl)phenyl]-1-propyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1)Sc1ccccc1

STK844793
Synonyms: 5-(4-bromophenyl)-2,8-disulfanyl-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol
Smiles: Brc1ccc(cc1)C1c2c(O)nc(nc2Oc2c1c(O)nc(n2)S)S

STK553663
Synonyms: 3-chloro-N-[(5Z)-5-(1H-indol-3-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: Clc1cccc(c1)C(=O)NN1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O

STK844795
Synonyms: 5-(4-chlorophenyl)-3-(2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1O

STK844797
Synonyms: 2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-chlorophenyl)acetamide
Smiles: O=C(Cn1nc(c(c1C)Cl)C(F)(F)F)Nc1cccc(c1)Cl

STK553674
Synonyms: methyl5-fluoro-3-({3-[4-(2-fluorophenyl)piperazin-1-yl]propanoyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1ccccc1F)cc(cc2)F

STK553678
Synonyms: 3-hydroxy-N-[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]benzamide
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)NC(=O)c2cccc(c2)O)cc(c1OC)OC

STK553681
Synonyms: 2'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-7'-methoxy-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1c(OC)cccc1C1N2N=C(C1)c1ccc2c(c1)OCCO2

STK844798
Synonyms: 9-phenyltetrazolo[1,5-c]thieno[3,2-e]pyrimidine
Smiles: c1ccc(cc1)c1csc2c1c1nnnn1cn2

STK553688
Synonyms: methyl3-{[3-(4-carbamoylpiperidin-1-yl)propanoyl]amino}-5-fluoro-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C(=O)N)cc(cc2)F

STK553689
Synonyms: (3aS,4R,9aS,9bR)-2-(4-fluorophenyl)-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Smiles: N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1ccc(cc1)F)C(=O)c1cccc(c1)[N+](=O)[O-]

STK553696
Synonyms: methyl3-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-5-methyl-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C1(C)CC1(Br)Br)cc(cc2)C

STK553699
Synonyms: 2'-(4-bromophenyl)-7'-methoxy-1-propyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1c(OC)cccc1C1N2N=C(C1)c1ccc(cc1)Br

STK553700
Synonyms: 2'-(4-bromophenyl)-1-ethyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1)Br

STK844800
Synonyms: (2Z)-2-(1-acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-(3,4-dimethoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1cc(ccc1OC)Cc1nn2c(nc1=O)s/c(=C\1/c3ccccc3N(C1=O)C(=O)C)/c2=O

STK553704
Synonyms: 2-[(E)-(pyridin-2-ylimino)methyl]-1-benzothiophene-3-ol
Smiles: Oc1c(/C=N/c2ccccn2)sc2c1cccc2

STK553710
Synonyms: 6-{(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoicacid
Smiles: OC(=O)CCCCCN1C(=S)S/C(=C\C(=C\c2ccccc2)\C)/C1=O

STK553715
Synonyms: N-(1,3-benzodioxol-5-yl)-N-ethyl-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
Smiles: CCN(C(=O)c1c(C)cc(=O)oc1C)c1ccc2c(c1)OCO2

STK844803
Synonyms: (5Z)-5-(2,3-dimethoxybenzylidene)-2-[(2,4-dimethylphenyl)amino]-1,3-thiazol-4(5H)-one
Smiles: COc1cccc(c1OC)/C=C/1\SC(=NC1=O)Nc1ccc(cc1C)C

STK553718
Synonyms: 9'-bromo-2'-(2,4-dichlorophenyl)-1-ethyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccc(cc1Cl)Cl)Br

STK553724
Synonyms: N-(4-methoxyphenyl)-2-[(10-phenyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc2n1cnc1c2sc2c1c1CCCc1c(n2)c1ccccc1

STK553725
Synonyms: 2'-(3,4-dimethoxyphenyl)-1-ethyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(c(c1)OC)OC

STK553733
Synonyms: (Z)-1-phenyl-2-(5-phenylpyrimidin-2-yl)ethenol
Smiles: O/C(=C\c1ncc(cn1)c1ccccc1)/c1ccccc1

STK553735
Synonyms: 8-bromo-3-{[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1cc(ccc1O)/C=N/n1c(C)nc2c(c1=O)[nH]c1c2cc(cc1)Br