Chemical compounds for High-Throughput screening and
Building Blocks for Combinatorial chemistry

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STK549346
Synonyms: (3a'R,8a'S,8b'S)- 2'- (3- nitrophenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indene- 2,4'- pyrrolo[3,4- a]pyrrolizine]- 1,1',3,3'(2'H)- tetrone
Smiles: O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@]1(N3[C@H]2CCC3)C(=O)c2c(C1=O)cccc2

STK549353
Synonyms: benzyl5- cyano- 4- (furan- 2- yl)- 2- methyl- 6- ({2- [(4- nitrophenyl)amino]- 2- oxoethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])NC(=C(C1c1ccco1)C(=O)OCc1ccccc1)C

STK549356
Synonyms: benzyl4- (4- chlorophenyl)- 5- cyano- 6- ({2- [(4- fluorophenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C

STK549360
Synonyms: (2E)- 3- {[4- chloro- 2- (trifluoromethyl)phenyl]amino}- 2- [4- (4- fluorophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C(F)(F)F)Cl)/c1scc(n1)c1ccc(cc1)F

STK843841
Synonyms: (5Z)- 2- [(4- methylphenyl)amino]- 5- (thiophen- 2- ylmethylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Cc1ccc(cc1)NC1=NC(=O)/C(=C/c2cccs2)/S1

STK549361
Synonyms: 2,4- dichloro- 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)c1ccc(cc1Cl)Cl

STK549362
Synonyms: N~4~- (2- fluorophenyl)- N~2~- (furan- 2- ylmethyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Fc1ccccc1Nc1nc(NCc2ccco2)nc(c1[N+](=O)[O-])N

STK843842
Synonyms: N~2~- (2- methoxyethyl)- N~4~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COCCNc1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-]

STK549366
Synonyms: methyl(2E)- {(2Z)- 2- [1- cyano- 2- oxo- 2- (piperidin- 1- yl)ethylidene]- 4- oxo- 3- phenyl- 1,3- thiazolidin- 5- ylidene}ethanoate
Smiles: N#C/C(=c\1/s/c(=C/C(=O)OC)/c(=O)n1c1ccccc1)/C(=O)N1CCCCC1

STK549371
Synonyms: N'- [(1Z)- 1- (4- hydroxyphenyl)propylidene]pyridine- 4- carbohydrazide
Smiles: CC/C(=N/NC(=O)c1ccncc1)/c1ccc(cc1)O

STK843844
Synonyms: 1,5- dimethyl- 3,7- bis[(4- methylphenyl)carbonyl]- 3,7- diazabicyclo[3.3.1]nonan- 9- one
Smiles: O=C(c1ccc(cc1)C)N1CC2(C)CN(CC(C1)(C2=O)C)C(=O)c1ccc(cc1)C

STK843845
Synonyms: (5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 3- (3- methoxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cccc(c1)N1C(=S)S/C(=C\c2ccc(c(c2)OC)O)/C1=O

STK549373
Synonyms: ethyl2- ({(Z)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc3c(c2)OCO3)/C#N)sc2c1CCCC2

STK549375
Synonyms: benzyl5- cyano- 4- (furan- 2- yl)- 2- methyl- 6- {[2- (naphthalen- 1- ylamino)- 2- oxoethyl]sulfanyl}- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2cccc3c2cccc3)NC(=C(C1c1ccco1)C(=O)OCc1ccccc1)C

STK843846
Synonyms: 1- (4- ethoxyphenyl)- 4- (piperidin- 1- yl)phthalazine
Smiles: CCOc1ccc(cc1)c1nnc(c2c1cccc2)N1CCCCC1

STK549385
Synonyms: 4- fluoro- N- {(5Z)- 4- oxo- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 3- yl}benzamide
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)F

STK549391
Synonyms: 3- (4- hydroxyphenyl)- 5- (3- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Oc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1)C)c1ccccc1

STK549392
Synonyms: 2- [(2- amino- 6- methylphenyl)sulfanyl]cyclohexanol
Smiles: OC1CCCCC1Sc1c(C)cccc1N

STK549393
Synonyms: N~4~- (4- chlorophenyl)- N~2~- (4- ethoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(N)c(c(n1)Nc1ccc(cc1)Cl)[N+](=O)[O-]

STK843848
Synonyms: 2- [4- (6- chloro- 4- phenylquinolin- 2- yl)phenoxy]acetohydrazide
Smiles: NNC(=O)COc1ccc(cc1)c1nc2ccc(cc2c(c1)c1ccccc1)Cl

STK549397
Synonyms: 3- [(8- chloro- 5H- pyrimido[5,4- b]indol- 4- yl)amino]propan- 1- ol
Smiles: OCCCNc1ncnc2c1[nH]c1c2cc(cc1)Cl

STK549398
Synonyms: (5Z)- 5- (2,3- dimethoxybenzylidene)- 3- (naphthalen- 2- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)c1ccc2c(c1)cccc2

STK549406
Synonyms: (5Z)- 3- (2- ethoxyphenyl)- 5- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccccc1N1C(=S)S/C(=C\C(=C\c2ccccc2)\C)/C1=O

STK549407
Synonyms: 5,5- dimethyl- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: O=c1[nH]cnc2c1C(C)(C)Cc1c2cccc1

STK549412
Synonyms: N- (butan- 2- yl)- 2- (pyridin- 4- yl)quinazolin- 4- amine
Smiles: CCC(Nc1nc(nc2c1cccc2)c1ccncc1)C

STK549415
Synonyms: (5Z)- 1- (3- chloro- 4- methoxyphenyl)- 5- {[5- (3,4- dichlorophenyl)furan- 2- yl]methylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C/c2ccc(o2)c2ccc(c(c2)Cl)Cl)/C1=O

STK843852
Synonyms: 3- (1,3- benzoxazol- 2- yl)- 2- oxo- 2H- chromen- 7- yl4- methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1nc2c(o1)cccc2

STK549424
Synonyms: 3- [(3,5- dimethyl- 1H- pyrazol- 1- yl)methyl]- 1- (4- methoxyphenyl)pyrrolidine- 2,5- dione
Smiles: COc1ccc(cc1)N1C(=O)CC(C1=O)Cn1nc(cc1C)C

STK549426
Synonyms: 2- [(5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoicacid
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C

STK549427
Synonyms: 6- hydroxy- 1,3- diphenyl- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)pyrimidine- 2,4(1H,3H)- dione
Smiles: Oc1c(C2NCCc3c2cccc3)c(=O)n(c(=O)n1c1ccccc1)c1ccccc1

STK549433
Synonyms: N- carbamimidoyl- 4- ({(E)- 2- cyano- 2- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)NC(=N)N)/c1scc(n1)c1cccc(c1)OC

STK549436
Synonyms: 2- methoxyethyl4- (4- chlorophenyl)- 5- cyano- 2- methyl- 6- {[2- (naphthalen- 1- ylamino)- 2- oxoethyl]sulfanyl}- 1,4- dihydropyridine- 3- carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1cccc2c1cccc2

STK843856
Synonyms: (1E)- 1- (4- ethoxyphenyl)- N- hydroxy- 1- (hydroxyimino)propan- 2- amine
Smiles: CCOc1ccc(cc1)/C(=N\O)/C(NO)C

STK549450
Synonyms: quinolin- 8- yldiethylcarbamate
Smiles: CCN(C(=O)Oc1cccc2c1nccc2)CC

STK843858
Synonyms: N- [(5Z)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- hydroxybenzamide
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)O

STK549455
Synonyms: (2Z)- 3- [(2,4- difluorophenyl)amino]- 2- [4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1F)F)/c1scc(n1)c1ccc2c(c1)cccc2

STK549456
Synonyms: 4- ({(Z)- 2- cyano- 2- [4- (2,4- dichlorophenyl)- 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)c1ccc(cc1Cl)Cl

STK843860
Synonyms: (2Z)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- [(2,4- difluorophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1F)F)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK549464
Synonyms: N~2~- (furan- 2- ylmethyl)- N~4~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(NCc2ccco2)nc(c1[N+](=O)[O-])N

STK549465
Synonyms: 4- (4- phenylpiperazin- 1- yl)- 2- (pyridin- 2- yl)quinazoline
Smiles: c1ccc(cc1)N1CCN(CC1)c1nc(nc2c1cccc2)c1ccccn1

STK549466
Synonyms: prop- 2- en- 1- yl6- [(2- amino- 2- oxoethyl)sulfanyl]- 4- (2- chlorophenyl)- 5- cyano- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)N

STK549467
Synonyms: (2E)- 3- [4- (benzyloxy)- 3- methoxyphenyl]- 2- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCc1ccccc1)/c1scc(n1)c1ccc(cc1)Br

STK549469
Synonyms: 3- amino- 1,1- dimethoxy- 4- (4- methoxyphenyl)- 4,5,6,7,8,9- hexahydro- 1H- pyrrolo[3,4- c]quinoline- 3a,9b- dicarbonitrile
Smiles: COc1ccc(cc1)C1NC2=C(C3(C1(C#N)C(=NC3(OC)OC)N)C#N)CCCC2

STK549470
Synonyms: 1,1'- {methanediylbis[(2,6- dichlorobenzene- 4,1- diyl)oxy]}bis[3- (dimethylamino)propan- 2- ol]
Smiles: OC(CN(C)C)COc1c(Cl)cc(cc1Cl)Cc1cc(Cl)c(c(c1)Cl)OCC(CN(C)C)O

STK549472
Synonyms: 5- ethyl- 3- (ethylsulfanyl)- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCSc1nnc2n1c(CC)nc1c2c2CC(C)(C)OCc2s1

STK549475
Synonyms: N~2~- [3- (dimethylamino)propyl]- N~4~- (furan- 2- ylmethyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CN(CCCNc1nc(NCc2ccco2)c(c(n1)N)[N+](=O)[O-])C

STK549476
Synonyms: N- (3- chloro- 4- methylphenyl)- 2- {[3- cyano- 4- (4- hydroxy- 3- methoxyphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)C)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2

STK549479
Synonyms: N- butyl- 2- (pyridin- 4- yl)quinazolin- 4- amine
Smiles: CCCCNc1nc(nc2c1cccc2)c1ccncc1

STK843865
Synonyms: dimethyl5- {[(Z)- 2- cyano- 2- (4- phenyl- 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)c1ccccc1

STK549481
Synonyms: 3- bromo- 2- oxo- N- (3- oxo- 1,3- dihydro- 2- benzofuran- 5- yl)- 2H- pyran- 5- carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)Nc1ccc2c(c1)C(=O)OC2

STK549482
Synonyms: 2- (1H- indol- 2- yl)- N'- [(2E)- 4- methyl- 4- (5- methylfuran- 2- yl)pentan- 2- ylidene]acetohydrazide
Smiles: Cc1ccc(o1)C(C/C(=N/NC(=O)Cc1cc2c([nH]1)cccc2)/C)(C)C

STK843866
Synonyms: 2- (2,6- dimethylmorpholin- 4- yl)- N- (3- methylphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1OC(C)CN(C1)c1nc(Nc2cccc(c2)C)c(c(n1)N)[N+](=O)[O-]

STK549485
Synonyms: 5- [3- (6- chloro- 2- oxo- 4- phenyl- 1,2- dihydroquinolin- 3- yl)- 5- (pyridin- 3- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1cccnc1)c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl

STK549490
Synonyms: (5Z)- 5- (2,3- dimethoxybenzylidene)- 3- (2,3- dimethylphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)c1cccc(c1C)C

STK549502
Synonyms: (4bR,7aS,8R)- 6- (1,3- benzodioxol- 5- yl)- 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)c1ccc2c(c1)OCO2

STK843871
Synonyms: 4- ({(Z)- 2- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)benzamide
Smiles: N#C/C(=C/Nc1ccc(cc1)C(=O)N)/c1scc(n1)c1ccc(cc1)Cl

STK549504
Synonyms: (5Z)- 2- [(2- bromophenyl)amino]- 5- (3- ethoxy- 4- hydroxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1ccccc1Br

STK549505
Synonyms: 4- [5- (3,4- dimethoxyphenyl)- 1',3'- diphenyl- 3,4- dihydro- 1'H,2H- 3,4'- bipyrazol- 2- yl]- 4- oxobutanoicacid
Smiles: COc1cc(ccc1OC)C1=NN(C(C1)c1cn(nc1c1ccccc1)c1ccccc1)C(=O)CCC(=O)O

STK843872
Synonyms: (2Z)- [2- (4- methoxyphenyl)hydrazinylidene]{4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- yl}ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)OC)/c1scc(n1)c1ccc(cc1)CC(C)C

STK549511
Synonyms: benzyl5- cyano- 6- ({2- [(2,6- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (furan- 2- yl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cccc2C)NC(=C(C1c1ccco1)C(=O)OCc1ccccc1)C

STK549514
Synonyms: 5- [5- (furan- 2- yl)- 3- (4- methylphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1ccco1)c1ccc(cc1)C

STK843874
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- oxo- 2H- chromen- 7- yl4- chlorobutanoate
Smiles: ClCCCC(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1nc2c(s1)cccc2

STK549516
Synonyms: 4- [5- (2- fluorophenyl)- 3- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1ccccc1F)c1cccs1

STK549518
Synonyms: 2- methoxyethyl6- {[2- (benzylamino)- 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)NCc1ccccc1

STK549519
Synonyms: 1- phenyl- 1H- tetrazol- 5- yl(1E)- N- (4- nitrophenyl)- 2- oxopropanehydrazonothioate
Smiles: CC(=O)/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/Sc1nnnn1c1ccccc1

STK549523
Synonyms: 2- [(5Z)- 5- (2,3- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- phenylpropanoicacid
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)Cc1ccccc1

STK549525
Synonyms: ethyl6- ethyl- 7- hydroxy- 3- (1- methyl- 1H- benzimidazol- 2- yl)- 8- [(2- methylpiperidin- 1- yl)methyl]- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2c(CN3CCCCC3C)c(O)c(cc2c(=O)c1c1nc2c(n1C)cccc2)CC

STK549529
Synonyms: 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

STK549532
Synonyms: (5Z)- 2- [(2- chlorophenyl)amino]- 5- (2,5- dimethoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1ccc(c(c1)/C=C/1\SC(=NC1=O)Nc1ccccc1Cl)OC

STK549534
Synonyms: N- (4- chlorophenyl)- 5- nitro- 2- (pyrrolidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: Clc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCC1

STK549537
Synonyms: 8- chloro- 10- (4- methylphenyl)pyrimido[4,5- b]quinoline- 2,4(3H,10H)- dione
Smiles: Cc1ccc(cc1)n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O

STK549539
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- [(4- bromo- 3,5- dimethyl- 1H- pyrazol- 1- yl)methyl]- 4- methoxyphenyl}methylidene]- 5- (3- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1Cn1nc(c(c1C)Br)C)/C=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N

STK843881
Synonyms: N- (4- bromophenyl)- 2- {2- [(4- hydroxyphenyl)(methyl)amino]- 4- oxo- 4,5- dihydro- 1,3- thiazol- 5- yl}acetamide
Smiles: O=C(CC1SC(=NC1=O)N(c1ccc(cc1)O)C)Nc1ccc(cc1)Br

STK843883
Synonyms: 2- [3- (9H- carbazol- 9- yl)- 2- hydroxypropoxy]- N- phenylbenzamide
Smiles: OC(Cn1c2ccccc2c2c1cccc2)COc1ccccc1C(=O)Nc1ccccc1

STK549543
Synonyms: 2- ({[(4- tert- butylbenzyl)oxy]carbonyl}amino)- 4,5- dimethoxybenzoicacid
Smiles: COc1cc(NC(=O)OCc2ccc(cc2)C(C)(C)C)c(cc1OC)C(=O)O

STK549545
Synonyms: 2- [(4- tert- butylphenoxy)methyl]- 1- (2- methoxybenzyl)- 1H- benzimidazole
Smiles: COc1ccccc1Cn1c(COc2ccc(cc2)C(C)(C)C)nc2c1cccc2

STK549548
Synonyms: (4- methoxyphenyl)[3- (piperidin- 1- yl)quinoxalin- 2- yl]acetonitrile
Smiles: N#CC(c1nc2ccccc2nc1N1CCCCC1)c1ccc(cc1)OC

STK549550
Synonyms: 1- (4- butylphenyl)- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)C

STK549552
Synonyms: N- (4- chlorophenyl)- 2- (3- methylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CCCN(C1)c1nc(Nc2ccc(cc2)Cl)c(c(n1)N)[N+](=O)[O-]

STK843886
Synonyms: ethylN- {[2- methyl- 5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)phenyl]sulfonyl}glycinate
Smiles: CCOC(=O)CNS(=O)(=O)c1cc(ccc1C)c1nn(C)c(=O)c2c1cccc2

STK549557
Synonyms: 4- (4- chloro- 3,5- dimethylphenoxy)- 2- (pyridin- 2- yl)quinazoline
Smiles: Clc1c(C)cc(cc1C)Oc1nc(nc2c1cccc2)c1ccccn1

STK549560
Synonyms: N- (furan- 2- ylmethyl)- 6,6- dimethyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CSc1nc(NCc2ccco2)c2c(n1)sc1c2CC(OC1)(C)C

STK843887
Synonyms: (5Z)- 5- (2- methoxybenzylidene)- 3- (3- methoxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cccc(c1)N1C(=S)S/C(=C\c2ccccc2OC)/C1=O

STK843888
Synonyms: (2Z)- 3- [(2,4- difluorophenyl)amino]- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1F)F)/c1scc(n1)c1ccc(c(c1)OC)OC

STK549561
Synonyms: 2- (2,6- dimethylmorpholin- 4- yl)- 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CC(C)OC(C1)C)c([nH]2)C

STK549567
Synonyms: ethyl4- {[(3- bromo- 2,8- dimethyl- 4- oxoquinolin- 1(4H)- yl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)Cn1c(C)c(Br)c(=O)c2c1c(C)ccc2

STK549577
Synonyms: (5Z)- 2- [(3- chlorophenyl)amino]- 5- (thiophen- 2- ylmethylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Clc1cccc(c1)NC1=NC(=O)/C(=C/c2cccs2)/S1

STK549579
Synonyms: ethyl5- cyano- 6- ({2- [(2,6- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (2- fluorophenyl)- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1c(C)cccc1C

STK549584
Synonyms: 1- (4- bromophenyl)- 3- [(3,5- dimethyl- 1H- pyrazol- 1- yl)methyl]pyrrolidine- 2,5- dione
Smiles: Brc1ccc(cc1)N1C(=O)CC(C1=O)Cn1nc(cc1C)C

STK549586
Synonyms: 4- {(Z)- 2- [4- (3- bromophenyl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}phenylacetate
Smiles: N#C/C(=C/c1ccc(cc1)OC(=O)C)/c1scc(n1)c1cccc(c1)Br

STK843899
Synonyms: (2Z)- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl][2- (4- ethylphenyl)hydrazinylidene]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)CC)/c1scc(n1)c1ccc2c(c1)OCO2

STK549590
Synonyms: N~4~- (4- chlorophenyl)- N~2~- [3- (morpholin- 4- yl)propyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Clc1ccc(cc1)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N

STK843902
Synonyms: 4- {(Z)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}phenylacetate
Smiles: N#C/C(=C/c1ccc(cc1)OC(=O)C)/c1scc(n1)c1ccc2c(c1)OCO2

STK549594
Synonyms: (5Z)- 2- [(2,3- dichlorophenyl)amino]- 5- (2,3- dimethoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1c(cccc1OC)/C=C/1\SC(=NC1=O)Nc1cccc(c1Cl)Cl

STK549598
Synonyms: 3- [1- acetyl- 3- (furan- 2- yl)- 4,5- dihydro- 1H- pyrazol- 5- yl]- 7- ethoxyquinolin- 2(1H)- one
Smiles: CCOc1ccc2c(c1)[nH]c(=O)c(c2)C1CC(=NN1C(=O)C)c1ccco1

STK843904
Synonyms: [4- (diphenylmethyl)piperazin- 1- yl](piperidin- 1- yl)methanone
Smiles: O=C(N1CCCCC1)N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK843905
Synonyms: (2E)- 3- [(4- fluoro- 2- nitrophenyl)amino]- 2- [4- (naphthalen- 1- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1[N+](=O)[O-])F)/c1scc(n1)c1cccc2c1cccc2

STK549611
Synonyms: 1- (dibenzylamino)- 3- (4- methoxyphenoxy)propan- 2- ol
Smiles: COc1ccc(cc1)OCC(CN(Cc1ccccc1)Cc1ccccc1)O

STK549613
Synonyms: [3- amino- 4,6- dimethyl- 5- (prop- 2- en- 1- yl)thieno[2,3- b]pyridin- 2- yl](4- bromophenyl)methanone
Smiles: C=CCc1c(C)nc2c(c1C)c(N)c(s2)C(=O)c1ccc(cc1)Br

STK549618
Synonyms: 7- (4- fluorophenyl)- 3- (4- nitrophenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: Fc1ccc(cc1)N1C(=O)CC2(C1=O)ON=C(C2)c1ccc(cc1)[N+](=O)[O-]

STK801748
Synonyms: N- (4- methoxyphenyl)- N- (oxiran- 2- ylmethyl)benzenesulfonamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccccc1)CC1OC1

STK549631
Synonyms: ethyl6- amino- 5- cyano- 2- methyl- 4- [2- (piperidin- 1- yl)quinolin- 3- yl]- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(C)OC(=C(C1c1cc2ccccc2nc1N1CCCCC1)C#N)N

STK549633
Synonyms: 2- {4- [cyclohexyl(methyl)amino]quinazolin- 2- yl}- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc(N(C2CCCCC2)C)c2c(n1)cccc2

STK549635
Synonyms: 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: CC(C1OCc2c(C1)c1c3nncn3c3n(c1s2)cnn3)C

STK549640
Synonyms: (8R,8aS,11aR)- 8- [(4- methoxyphenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1[C@H]2C(=O)NC(=O)[C@H]2C2N1N=Cc1c2cccc1

STK843914
Synonyms: (5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 2- [(2- methylphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: COc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1ccccc1C

STK549641
Synonyms: 4- [4- (2- phenylpropan- 2- yl)phenoxy]- 2- (pyridin- 4- yl)quinazoline
Smiles: CC(c1ccccc1)(c1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccncc1)C

STK549643
Synonyms: ethyl1- ethyl- 6,7- difluoro- 4- hydroxy- 2- oxo- 1,2- dihydroquinoline- 3- carboxylate
Smiles: CCOC(=O)c1c(O)c2cc(F)c(cc2n(c1=O)CC)F

STK843915
Synonyms: 4- (3,5- dimethylphenoxy)- 2- (2- fluorophenyl)quinazoline
Smiles: Cc1cc(C)cc(c1)Oc1nc(nc2c1cccc2)c1ccccc1F

STK549649
Synonyms: N- (3- {[2- (pyridin- 2- yl)quinazolin- 4- yl]oxy}phenyl)acetamide
Smiles: CC(=O)Nc1cccc(c1)Oc1nc(nc2c1cccc2)c1ccccn1

STK843918
Synonyms: 4- {(Z)- 2- [4- (4- bromophenyl)- 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)c1ccc(cc1)Br

STK843919
Synonyms: 1- (9H- carbazol- 9- yl)- 3- [2- (cyclohex- 3- en- 1- yl)- 1H- benzimidazol- 1- yl]propan- 2- ol
Smiles: OC(Cn1c2ccccc2c2c1cccc2)Cn1c(nc2c1cccc2)C1CCC=CC1

STK549659
Synonyms: N- (1- phenylethyl)- 2- (pyridin- 4- yl)quinazolin- 4- amine
Smiles: CC(c1ccccc1)Nc1nc(nc2c1cccc2)c1ccncc1

STK549660
Synonyms: 1- (dibenzylamino)- 3- (2- methylphenoxy)propan- 2- ol
Smiles: OC(CN(Cc1ccccc1)Cc1ccccc1)COc1ccccc1C

STK549664
Synonyms: 6- (4- chlorophenyl)- 2- phenyl- 4,5- dihydropyridazine- 3(2H)- thione
Smiles: Clc1ccc(cc1)C1=NN(C(=S)CC1)c1ccccc1

STK549666
Synonyms: (2E)- 3- [(3,4- difluorophenyl)amino]- 2- [4- (naphthalen- 1- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)F)F)/c1scc(n1)c1cccc2c1cccc2

STK549668
Synonyms: N- [(5Z)- 5- (2,5- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- nitrobenzamide
Smiles: COc1ccc(cc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)[N+](=O)[O-])OC

STK549669
Synonyms: 1- (1- benzyl- 5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- (4- ethylpiperazin- 1- yl)ethanone
Smiles: CCN1CCN(CC1)CC(=O)c1c2cc(OC)ccc2n(c1C)Cc1ccccc1

STK549671
Synonyms: (3aR,4S,8aR,8bS)- 2- (naphthalen- 2- yl)- 4- (phenylcarbonyl)hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: O=C([C@H]1N2CCC[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2)c1ccccc1

STK549672
Synonyms: (5Z)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 2- [(3- methylphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1cccc(c1)C

STK549676
Synonyms: N- (2- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl)- L- leucine
Smiles: CC(C[C@@H](C(=O)O)Nc1nc(C)nc2c1c1CCCCc1s2)C

STK843921
Synonyms: 5- [(3- bromo- 4- methoxybenzyl)sulfanyl]- 2- methyl- 4- nitro- 1H- imidazole
Smiles: COc1ccc(cc1Br)CSc1[nH]c(nc1[N+](=O)[O-])C

STK549677
Synonyms: 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 4- oxo- 6- propyl- 4H- chromen- 7- yl2- chlorobenzoate
Smiles: CCCc1cc2c(cc1OC(=O)c1ccccc1Cl)occ(c2=O)c1ccc2c(c1)OCCO2

STK549682
Synonyms: (5Z)- 5- (2,3- dimethoxybenzylidene)- 3- (3- hydroxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)O

STK549687
Synonyms: (2Z)- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl][2- (4- bromophenyl)hydrazinylidene]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)Br)/c1scc(n1)c1ccc2c(c1)OCO2

STK549692
Synonyms: 3- [(3,5- dimethyl- 1H- pyrazol- 1- yl)methyl]- 1- (4- ethylphenyl)pyrrolidine- 2,5- dione
Smiles: CCc1ccc(cc1)N1C(=O)CC(C1=O)Cn1nc(cc1C)C

STK549693
Synonyms: (5Z)- 2- [(2- bromophenyl)amino]- 5- (3- fluorobenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Fc1cccc(c1)/C=C/1\SC(=NC1=O)Nc1ccccc1Br

STK549698
Synonyms: 4- chloro- N- [3- (3- methylpiperidin- 1- yl)quinoxalin- 2- yl]benzenesulfonamide
Smiles: CC1CCCN(C1)c1nc2ccccc2nc1NS(=O)(=O)c1ccc(cc1)Cl

STK549704
Synonyms: N- [2- (naphthalen- 2- yl)imidazo[1,2- a]pyridin- 3- yl]acetamide
Smiles: CC(=O)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK843928
Synonyms: (5Z)- 5- (2- methoxybenzylidene)- 2- [(4- methylphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: COc1ccccc1/C=C/1\SC(=NC1=O)Nc1ccc(cc1)C

STK549716
Synonyms: 2,4- dichloro- 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(cc1Cl)Cl

STK549719
Synonyms: 2- [(5Z)- 5- (2,3- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoicacid
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C

STK549721
Synonyms: (5Z)- 2- [(2- chlorophenyl)amino]- 5- (2- methoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1ccccc1/C=C/1\SC(=NC1=O)Nc1ccccc1Cl

STK549730
Synonyms: methyl4- ({[(7,8- dimethoxyphthalazin- 1- yl)sulfanyl]acetyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nncc2c1c(OC)c(cc2)OC

STK549731
Synonyms: (5Z)- 5- (2,5- dimethoxybenzylidene)- 2- [(4- methylphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: COc1ccc(cc1/C=C/1\SC(=NC1=O)Nc1ccc(cc1)C)OC

STK843933
Synonyms: 7- (2- ethoxyethyl)- 3- methyl- 8- [(2- phenylethyl)sulfanyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCOCCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

STK549738
Synonyms: 2- (3,4- dimethoxyphenyl)- 7- ethoxy- 6- methoxy- 4- (4- methylpiperazin- 1- yl)quinazoline
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CCN(CC1)C)c1ccc(c(c1)OC)OC

STK549740
Synonyms: 7,8- dimethoxy- 4- (4- phenylpiperazin- 1- yl)- 5H- pyrimido[5,4- b]indole
Smiles: COc1cc2c(cc1OC)[nH]c1c2ncnc1N1CCN(CC1)c1ccccc1

STK549742
Synonyms: 4- (4- fluorophenoxy)- 2- (pyridin- 2- yl)quinazoline
Smiles: Fc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccn1

STK549743
Synonyms: (3aR,4S,8aR,8bS)- 2- (3- bromophenyl)- 4- (phenylcarbonyl)hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: Brc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2CCC1)C(=O)c1ccccc1

STK843938
Synonyms: [4- (4- chlorophenyl)- 3a,4,5,9b- tetrahydro- 3H- cyclopenta[c]quinolin- 8- yl](2- methylpiperidin- 1- yl)methanone
Smiles: Clc1ccc(cc1)C1Nc2ccc(cc2C2C1CC=C2)C(=O)N1CCCCC1C

STK549748
Synonyms: (5E)- 1- cyclohexyl- 5- (1- {[2- (pyridin- 3- yl)piperidin- 1- yl]amino}ethylidene)- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: C/C(=C\1/C(=O)NC(=S)N(C1=O)C1CCCCC1)/NN1CCCCC1c1cccnc1

STK843939
Synonyms: 2- (4- benzylpiperazin- 1- yl)- N- (4- methoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)Cc1ccccc1

STK549750
Synonyms: N- [3- (azepan- 1- yl)quinoxalin- 2- yl]- 4- chlorobenzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1N1CCCCCC1

STK843940
Synonyms: 5- (3,4- dimethoxyphenyl)- N- methyl- 3- phenyl- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: CNC(=S)N1N=C(CC1c1ccc(c(c1)OC)OC)c1ccccc1

STK843941
Synonyms: 1- benzyl- 7,7- dimethyl- 2- phenyl- 1,5,7,8- tetrahydro- 4H- pyrano[4,3- d]pyrimidine- 4- thione
Smiles: S=c1nc(c2ccccc2)n(c2c1COC(C2)(C)C)Cc1ccccc1

STK549753
Synonyms: N~2~- (3- methylphenyl)- N~4~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(Nc2cccc(c2)C)nc(c1[N+](=O)[O-])N

STK549764
Synonyms: 2- [(2- methoxyphenyl)imino]- 5- nitrodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccccc1/N=C/1\NC(=O)C(C(=O)N1)[N+](=O)[O-]

STK843942
Synonyms: 2- chloro- 7- ethoxy- 3- [3- (furan- 2- yl)- 1- (methylsulfonyl)- 4,5- dihydro- 1H- pyrazol- 5- yl]quinoline
Smiles: CCOc1ccc2c(c1)nc(c(c2)C1CC(=NN1S(=O)(=O)C)c1ccco1)Cl

STK843943
Synonyms: (2Z)- 2- [4- (3- bromophenyl)- 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)c1cccc(c1)Br

STK549771
Synonyms: ethyl2- ({(E)- 2- cyano- 2- [4- (naphthalen- 1- 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)c2cccc3c2cccc3)\C#N)sc2c1CCCC2

STK549773
Synonyms: N~2~- (3- chlorophenyl)- N~4~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(Nc2cccc(c2)Cl)nc(c1[N+](=O)[O-])N

STK549774
Synonyms: 6- [(5Z)- 5- (2,3- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]hexanoicacid
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)CCCCCC(=O)O

STK549776
Synonyms: 1- (morpholin- 4- yl)- 2- [(3- phenylnaphthalen- 1- yl)oxy]propan- 1- one
Smiles: O=C(C(Oc1cc(cc2c1cccc2)c1ccccc1)C)N1CCOCC1

STK549785
Synonyms: N- (4- acetylphenyl)- 1- amino- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1)Nc1ccc(cc1)C(=O)C

STK549786
Synonyms: 1- (dimethylamino)propan- 2- yl1,3- benzodioxole- 5- carboxylate
Smiles: CN(CC(OC(=O)c1ccc2c(c1)OCO2)C)C

STK549789
Synonyms: 3- bromo- 5- (morpholin- 4- ylcarbonyl)- 2H- pyran- 2- one
Smiles: O=C(c1coc(=O)c(c1)Br)N1CCOCC1

STK843946
Synonyms: 2- [4- (4- phenylpiperazin- 1- yl)quinazolin- 2- yl]phenol
Smiles: Oc1ccccc1c1nc2ccccc2c(n1)N1CCN(CC1)c1ccccc1

STK843948
Synonyms: ethyl6- amino- 5- cyano- 4- (furan- 2- yl)- 2- propyl- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(CCC)OC(=C(C1c1ccco1)C#N)N

STK549791
Synonyms: 2- [4- (cyclohexylamino)quinazolin- 2- yl]- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc(NC2CCCCC2)c2c(n1)cccc2

STK549792
Synonyms: 2- amino- 9- (2,5- dimethoxyphenyl)- 4- methyl- 7- oxo- 6,7,8,9- tetrahydrothieno[2,3- b:4,5- b']dipyridine- 3- carbonitrile
Smiles: COc1ccc(cc1C1CC(=O)Nc2c1c1nc(N)c(c(c1s2)C)C#N)OC

STK549793
Synonyms: N- (6- ethylthieno[2,3- d]pyrimidin- 4- yl)- L- valine
Smiles: CCc1sc2c(c1)c(ncn2)N[C@H](C(=O)O)C(C)C

STK843950
Synonyms: (5Z)- 3- [4- (diethylamino)phenyl]- 5- (thiophen- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCN(c1ccc(cc1)N1C(=S)S/C(=C\c2cccs2)/C1=O)CC

STK549796
Synonyms: (9E)- 3- (4- bromophenyl)- 9- (4- methoxybenzylidene)- 5- (4- methoxyphenyl)- 7- methyl- 6,7,8,9- tetrahydro- 5H- pyrido[4,3- d][1,3]thiazolo[3,2- a]pyrimidine
Smiles: COc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)Br)/C(=C/c1ccc(cc1)OC)/CN(C2)C

STK549797
Synonyms: 2- (ethylsulfanyl)- 6- propyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCC

STK549800
Synonyms: benzyl5- cyano- 6- ({2- [(4- fluorophenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (furan- 2- yl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=C(C1c1ccco1)C(=O)OCc1ccccc1)C

STK549804
Synonyms: 2- fluoro- 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)c1ccccc1F)NCCc1c[nH]c2c1cccc2

STK549812
Synonyms: (5Z)- 3- (4- methylphenyl)- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)C

STK549815
Synonyms: 8- butyl- 1- methyl- 7- phenyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: CCCCn1c(cn2c1nc1c2c(=O)[nH]c(=O)n1C)c1ccccc1

STK549816
Synonyms: azepan- 1- yl[4- (2,4- dichlorophenyl)- 3a,4,5,9b- tetrahydro- 3H- cyclopenta[c]quinolin- 8- yl]methanone
Smiles: Clc1ccc(c(c1)Cl)C1Nc2ccc(cc2C2C1CC=C2)C(=O)N1CCCCCC1

STK549817
Synonyms: N~4~- (4- chlorophenyl)- N~2~- methyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CNc1nc(Nc2ccc(cc2)Cl)c(c(n1)N)[N+](=O)[O-]

STK549819
Synonyms: 2- [(5Z)- 4- oxo- 5- (thiophen- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoicacid
Smiles: CCC(N1C(=S)S/C(=C\c2cccs2)/C1=O)C(=O)O

STK549822
Synonyms: 9- (4- fluorophenyl)- 3- methyl- 1- phenyl- 1H- pyrazolo[4',3':5,6]pyrido[2,3- d]pyrimidine- 5,7(6H,9H)- dione
Smiles: Fc1ccc(cc1)n1c2nc(=O)[nH]c(=O)c2cc2c1n(nc2C)c1ccccc1

STK549823
Synonyms: N- (3- fluorophenyl)- 2- [4- (propan- 2- yloxy)phenyl]quinazolin- 4- amine
Smiles: CC(Oc1ccc(cc1)c1nc(Nc2cccc(c2)F)c2c(n1)cccc2)C

STK549825
Synonyms: methyl3- [(4- amino- 6,8- diphenyl- 5,8- dihydro- 6H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]propanoate
Smiles: COC(=O)CCSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1

STK549830
Synonyms: N~2~- benzyl- N~4~- (4- methoxyphenyl)- N~2~- methyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N(Cc1ccccc1)C

STK549831
Synonyms: 3- bromo- N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK843957
Synonyms: 4- {(Z)- 2- cyano- 2- [4- (2,4- 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(cc1Cl)Cl

STK843958
Synonyms: 2- ({4- amino- 6- [(4- methylphenyl)amino]- 5- nitropyrimidin- 2- yl}amino)ethanol
Smiles: OCCNc1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-]

STK549833
Synonyms: prop- 2- en- 1- yl2- amino- 1- (3,4- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: C=CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)C)C

STK549834
Synonyms: 3- methyl- 2- {(5Z)- 5- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}butanoicacid
Smiles: CC(C(N1C(=S)S/C(=C\C(=C\c2ccccc2)\C)/C1=O)C(=O)O)C

STK549836
Synonyms: {(5Z)- 5- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}(phenyl)aceticacid
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)C(=O)O

STK549837
Synonyms: ethyl5- cyano- 4- (2- fluorophenyl)- 2- oxo- 6- {[2- oxo- 2- (phenylamino)ethyl]sulfanyl}- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1ccccc1

STK843961
Synonyms: 4- (azepan- 1- yl)- 2- (2- fluorophenyl)quinazoline
Smiles: Fc1ccccc1c1nc(N2CCCCCC2)c2c(n1)cccc2

STK843963
Synonyms: N~2~- methyl- N~4~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CNc1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-]

STK549842
Synonyms: 6- hydroxy- 3- (4- methylphenyl)- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)pyrimidine- 2,4(1H,3H)- dione
Smiles: Cc1ccc(cc1)n1c(=O)[nH]c(c(c1=O)C1NCCc2c1cccc2)O

STK549844
Synonyms: (3,5- dinitrophenyl)[2- (4- methylphenyl)- 1,3- thiazolidin- 3- yl]methanone
Smiles: Cc1ccc(cc1)C1SCCN1C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK549845
Synonyms:
Smiles: C[C@H]([C@@H](C(=O)O)Nc1ncnc2c1c1CCCc1s2)O

STK549846
Synonyms: 4- {(Z)- 2- cyano- 2- [4- (3- methoxyphenyl)- 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)c1cccc(c1)OC

STK549848
Synonyms: 4- oxo- 4- (1',3',5- triphenyl- 3,4- dihydro- 1'H,2H- 3,4'- bipyrazol- 2- yl)butanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1cn(nc1c1ccccc1)c1ccccc1)c1ccccc1

STK549849
Synonyms: 2- [4- (furan- 2- ylcarbonyl)piperazin- 1- yl]- 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)C(=O)c1ccco1)c([nH]2)C

STK843966
Synonyms: N- [(E)- (2,5- dimethoxyphenyl)methylidene]- 4- (2- methoxyphenyl)piperazin- 1- amine
Smiles: COc1ccc(c(c1)/C=N/N1CCN(CC1)c1ccccc1OC)OC

STK549853
Synonyms: 2- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)- N'- [(E)- furan- 2- ylmethylidene]acetohydrazide
Smiles: O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)N/N=C/c1ccco1

STK549854
Synonyms: 4- chloro- N- (12- cyanoindolizino[2,3- b]quinoxalin- 3- yl)benzamide
Smiles: N#Cc1c2ccc(cn2c2c1nc1ccccc1n2)NC(=O)c1ccc(cc1)Cl

STK549859
Synonyms: 4- [(2E)- 2- (3,4- dimethoxybenzylidene)hydrazinyl]- 2- [4- (propan- 2- yloxy)phenyl]quinazoline
Smiles: COc1cc(/C=N/Nc2nc(nc3c2cccc3)c2ccc(cc2)OC(C)C)ccc1OC

STK843967
Synonyms: (2Z)- 3- [(3- acetylphenyl)amino]- 2- {4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- yl}prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1)C(=O)C)/c1scc(n1)c1ccc(cc1)CC(C)C

STK549864
Synonyms: 2- (4- butoxyphenyl)- 4- (ethylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCCOc1ccc(cc1)c1nc(SCC)c2c(n1)sc1c2CC(OC1)(C)C

STK843969
Synonyms: 6- iodo- 3- (2- methylprop- 2- en- 1- yl)- 2- (propan- 2- ylsulfanyl)quinazolin- 4(3H)- one
Smiles: CC(=C)Cn1c(SC(C)C)nc2c(c1=O)cc(cc2)I

STK549866
Synonyms: 3- [(1,3- benzodioxol- 5- ylmethyl)amino]- 5- (4- methoxyphenyl)cyclohex- 2- en- 1- one
Smiles: COc1ccc(cc1)C1CC(=CC(=O)C1)NCc1ccc2c(c1)OCO2

STK549868
Synonyms: N- benzyl- 2- (4- benzylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NCc1ccccc1)N1CCC(CC1)Cc1ccccc1

STK843973
Synonyms: (2E)- 2- (4- phenyl- 1,3- thiazol- 2- yl)- 3- {[2- (trifluoromethyl)phenyl]amino}prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1C(F)(F)F)/c1scc(n1)c1ccccc1

STK549871
Synonyms: 2- (4- benzylpiperidin- 1- yl)- N- (4- methoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)Cc1ccccc1

STK549873
Synonyms: methyl(2Z)- 3,4- dihydroquinolin- 1(2H)- yl(2- phenylhydrazinylidene)ethanoate
Smiles: COC(=O)/C(=N/Nc1ccccc1)/N1CCCc2c1cccc2

STK549874
Synonyms: dipropan- 2- yl{hydroxy[2- (trifluoromethyl)phenyl]methyl}phosphonate
Smiles: CC(OP(=O)(C(c1ccccc1C(F)(F)F)O)OC(C)C)C

STK843974
Synonyms: (2Z)- [2- (4- methylphenyl)hydrazinylidene][4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)C)/c1scc(n1)c1ccc2c(c1)cccc2

STK549878
Synonyms: N- [(5Z)- 5- (2,3- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2- hydroxybenzamide
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1O

STK549880
Synonyms: 3- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 2- oxo- 2H- chromen- 7- yl4- methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1scc(n1)c1ccc(cc1)Br

STK549881
Synonyms: N- tert- butyl- 2- {[3- cyano- 4- (3,5- dibromo- 4- hydroxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)NC(C)(C)C)NC(=O)CC1c1cc(Br)c(c(c1)Br)O

STK549885
Synonyms: 6,6- dimethyl- 4- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CSc1nc(SCC(=C)C)c2c(n1)sc1c2CC(OC1)(C)C

STK549888
Synonyms: cyclohexyl(phenyl)[3- (piperidin- 1- yl)propyl]silanol
Smiles: O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1

STK549889
Synonyms: 5- cyano- N- (2- fluorophenyl)- 4- (furan- 2- yl)- 2- methyl- 6- ({2- [(2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1F)C

STK843978
Synonyms: 3,3'- [biphenyl- 4,4'- diylbis(oxy)]bis[1- (morpholin- 4- yl)propan- 2- ol]
Smiles: OC(CN1CCOCC1)COc1ccc(cc1)c1ccc(cc1)OCC(CN1CCOCC1)O

STK549897
Synonyms: 4- [(5Z)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzoicacid
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)C(=O)O

STK843979
Synonyms: (2E)- 3- [(4- fluoro- 2- nitrophenyl)amino]- 2- {4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- yl}prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1[N+](=O)[O-])F)/c1scc(n1)c1ccc(cc1)CC(C)C

STK843982
Synonyms: 4- bromo- 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]phenylmorpholine- 4- carboxylate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(Br)ccc1OC(=O)N1CCOCC1

STK549902
Synonyms: [1- (3,4- diethoxybenzyl)- 6,7- diethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl](4- fluorophenyl)methanone
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)c1ccc(cc1)F

STK843983
Synonyms: 2- [4- (azepan- 1- yl)quinazolin- 2- yl]- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc2ccccc2c(n1)N1CCCCCC1

STK549904
Synonyms: 2- methoxyethyl4- (2- chlorophenyl)- 5- cyano- 6- ({2- [(2,6- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1c(C)cccc1C

STK843984
Synonyms: 4- (4- fluorophenyl)- 2,2,5- trimethyl- 2,5- dihydro- 1H- imidazol- 1- ol3- oxide
Smiles: CC1N(O)C([N+](=C1c1ccc(cc1)F)[O-])(C)C

STK549908
Synonyms: 5- cyano- 4- (4- ethoxyphenyl)- 6- ({2- [(2- ethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCOc1ccc(cc1)C1C(=C(SCC(=O)Nc2ccccc2CC)NC(=C1C(=O)Nc1ccccc1)C)C#N

STK549913
Synonyms: {[2- (4- butoxyphenyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}aceticacid
Smiles: CCCCOc1ccc(cc1)c1nc(SCC(=O)O)c2c(n1)sc1c2CC(OC1)(C)C

STK549916
Synonyms: (5Z)- 2- [(2- bromophenyl)amino]- 5- (2- methoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1ccccc1/C=C/1\SC(=NC1=O)Nc1ccccc1Br

STK549919
Synonyms: 4- chloro- 2- [(3- {[(4- chlorophenyl)sulfonyl]amino}quinoxalin- 2- yl)amino]benzoicacid
Smiles: Clc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1cc(Cl)ccc1C(=O)O

STK843985
Synonyms: N- (ethoxymethyl)- N- (2- ethyl- 6- methylphenyl)- 2- {2- [(4- methoxyphenoxy)methyl]- 1H- benzimidazol- 1- yl}acetamide
Smiles: CCOCN(c1c(C)cccc1CC)C(=O)Cn1c(COc2ccc(cc2)OC)nc2c1cccc2

STK549924
Synonyms: 2- {(5Z)- 5- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}propanoicacid
Smiles: CC(N1C(=S)S/C(=C\C(=C\c2ccccc2)\C)/C1=O)C(=O)O

STK549929
Synonyms: 1- [9'- bromo- 2'- (pyridin- 3- 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)c1cccnc1

STK549930
Synonyms: N- (4- methoxyphenyl)- 2- (pyridin- 2- yl)quinazolin- 4- amine
Smiles: COc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccccn1

STK549931
Synonyms: N- (4- methylphenyl)- 2- (morpholin- 4- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Cc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCOCC1

STK843986
Synonyms: N- (2- methoxyethyl)- 2- methyl- 5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)benzenesulfonamide
Smiles: COCCNS(=O)(=O)c1cc(ccc1C)c1nn(C)c(=O)c2c1cccc2

STK549936
Synonyms: N~4~- (2- fluorophenyl)- 5- nitro- N~2~- (2- phenylethyl)pyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1F)NCCc1ccccc1

STK549944
Synonyms: N~4~- (4- methylphenyl)- 5- nitro- N~2~- (2- phenylethyl)pyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N

STK549953
Synonyms: 5,6- di(furan- 2- yl)- 3- (propylsulfanyl)- 1,2,4- triazine
Smiles: CCCSc1nnc(c(n1)c1ccco1)c1ccco1

STK843989
Synonyms: 1- {2- [(4,6- dimethoxypyrimidin- 2- yl)amino]- 4- methyl- 1,3- thiazol- 5- yl}ethanone
Smiles: COc1nc(Nc2sc(c(n2)C)C(=O)C)nc(c1)OC

STK549959
Synonyms: 2- [4- (dipropylamino)quinazolin- 2- yl]phenol
Smiles: CCCN(c1nc(nc2c1cccc2)c1ccccc1O)CCC

STK549962
Synonyms: 3- [4- (2,4- dimethylphenyl)- 1,3- thiazol- 2- yl]- 8- nitro- 2H- chromen- 2- one
Smiles: Cc1ccc(c(c1)C)c1csc(n1)c1cc2cccc(c2oc1=O)[N+](=O)[O-]

STK549967
Synonyms: N~2~- (butan- 2- yl)- N~4~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCC(Nc1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-])C

STK843991
Synonyms: 4- {(E)- 2- cyano- 2- [4- (naphthalen- 1- 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)c1cccc2c1cccc2

STK549970
Synonyms: 2- {(5Z)- 5- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}- 4- (methylsulfanyl)butanoicacid
Smiles: CSCCC(N1C(=S)S/C(=C\C(=C\c2ccccc2)\C)/C1=O)C(=O)O

STK549971
Synonyms: 2- [(9- tert- butyl- 1,5- dicyano- 4- oxo- 3- azaspiro[5.5]undec- 1- en- 2- yl)sulfanyl]- N- (2- ethylphenyl)acetamide
Smiles: N#CC1C(=O)NC(=C(C21CCC(CC2)C(C)(C)C)C#N)SCC(=O)Nc1ccccc1CC

STK549972
Synonyms: 5- cyano- 4- (3,4- dimethoxyphenyl)- 2- methyl- 6- {[2- oxo- 2- (1,3- thiazol- 2- ylamino)ethyl]sulfanyl}- N- phenylpyridine- 3- carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2nccs2)nc(c(c1c1ccc(c(c1)OC)OC)C(=O)Nc1ccccc1)C

STK549976
Synonyms: N~2~- benzyl- N~4~- (4- fluorophenyl)- N~2~- methyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Fc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N(Cc1ccccc1)C

STK549978
Synonyms: 5- cyano- 4- (furan- 2- yl)- 2- methyl- 6- ({2- [(3- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1)C

STK843994
Synonyms: (2Z)- 3- [(3- acetylphenyl)amino]- 2- [4- (2,4- dichlorophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1)C(=O)C)/c1scc(n1)c1ccc(cc1Cl)Cl

STK549999
Synonyms: 1,1'- piperazine- 1,4- diylbis[3- (4- methoxyphenoxy)propan- 2- ol]
Smiles: COc1ccc(cc1)OCC(CN1CCN(CC1)CC(COc1ccc(cc1)OC)O)O

STK550000
Synonyms: N~4~- ethyl- N~6~- (2- iodophenyl)- 7- nitro- 2,1,3- benzoxadiazole- 4,6- diamine
Smiles: CCNc1cc(Nc2ccccc2I)c(c2c1non2)[N+](=O)[O-]

STK550004
Synonyms: N~4~- benzyl- 5- nitro- N~2~- (2- phenylethyl)pyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NCc2ccccc2)nc(nc1N)NCCc1ccccc1

STK550006
Synonyms: 6- ({2- [(4- chlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (4- ethoxyphenyl)- 2- methyl- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCOc1ccc(cc1)C1C(=C(SCC(=O)Nc2ccc(cc2)Cl)NC(=C1C(=O)Nc1ccccc1)C)C#N

STK843999
Synonyms: 3- (1,3- benzoxazol- 2- yl)- 2- oxo- 2H- chromen- 7- ylcyclohexanecarboxylate
Smiles: O=C(C1CCCCC1)Oc1ccc2c(c1)oc(=O)c(c2)c1nc2c(o1)cccc2

STK550014
Synonyms: 4- ({(E)- 2- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)- N- (1,3- thiazol- 2- yl)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)/c1scc(n1)c1ccc(cc1)Br

STK550017
Synonyms: N~2~- (butan- 2- yl)- N~4~- (4- chlorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCC(Nc1nc(Nc2ccc(cc2)Cl)c(c(n1)N)[N+](=O)[O-])C

STK550018
Synonyms: (2Z)- 3- {[4- chloro- 2- (trifluoromethyl)phenyl]amino}- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1C(F)(F)F)Cl)/c1scc(n1)c1cc2ccccc2oc1=O

STK550019
Synonyms: N~4~- (4- chlorophenyl)- N~2~- (4- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(cc1)Nc1nc(Nc2ccc(cc2)Cl)c(c(n1)N)[N+](=O)[O-]

STK550024
Synonyms: 4- [(cyclohexylamino)methyl]- 2- methoxyphenol
Smiles: COc1cc(CNC2CCCCC2)ccc1O

STK550027
Synonyms: N~4~- benzyl- N~2~- [3- (dimethylamino)propyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CN(CCCNc1nc(NCc2ccccc2)c(c(n1)N)[N+](=O)[O-])C

STK550028
Synonyms: 2,4- dichloro- N- [(5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1Cl)Cl

STK844003
Synonyms: ethyl5- cyano- 6- ({2- [(4- fluorophenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (furan- 2- yl)- 2- phenyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: CCOC(=O)C1=C(NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(cc1)F)c1ccccc1

STK550035
Synonyms: N~4~- benzyl- N~2~- cyclohexyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NCc2ccccc2)nc(nc1N)NC1CCCCC1

STK550036
Synonyms: (5Z)- 5- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 3- (naphthalen- 2- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)c1ccc2c(c1)cccc2

STK550037
Synonyms: 4- (2- chlorophenyl)- 5- cyano- 2- methyl- 6- {[2- (naphthalen- 1- ylamino)- 2- oxoethyl]sulfanyl}- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc3c2cccc3)NC(=C(C1c1ccccc1Cl)C(=O)Nc1ccccc1)C

STK550040
Synonyms: N- (3,4- dimethylphenyl)- 7- (morpholin- 4- yl)- 4- nitro- 2,1,3- benzoxadiazol- 5- amine
Smiles: [O-][N+](=O)c1c(Nc2ccc(c(c2)C)C)cc(c2c1non2)N1CCOCC1

STK550041
Synonyms: (2Z)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- [3,4- bis(benzyloxy)phenyl]prop- 2- enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1)/c1scc(n1)c1ccc2c(c1)OCO2

STK550052
Synonyms: 3- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 2- oxo- 2H- chromen- 7- ylmorpholine- 4- carboxylate
Smiles: Brc1ccc(cc1)c1csc(n1)c1cc2ccc(cc2oc1=O)OC(=O)N1CCOCC1

STK550053
Synonyms: (2Z)- [2- (4- bromophenyl)hydrazinylidene][4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)Br)/c1scc(n1)c1ccc(c(c1)OC)OC

STK550056
Synonyms: (5Z)- 2- [(3- chlorophenyl)amino]- 5- (4- hydroxy- 3- methoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1cccc(c1)Cl

STK550060
Synonyms: N~4~- (4- chlorophenyl)- N~2~- methyl- 5- nitro- N~2~- phenylpyrimidine- 2,4,6- triamine
Smiles: Clc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N(c1ccccc1)C

STK550061
Synonyms: ethyl3- (4- bromophenyl)- 7- {[(2- chlorophenyl)carbonyl]oxy}- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1ccc(cc1)Br)OC(=O)c1ccccc1Cl

STK550062
Synonyms: 2- [4- (2- fluorophenyl)piperazin- 1- yl]- 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)c1ccccc1F)c([nH]2)C

STK550063
Synonyms: 4- methoxy- 2- (3- nitrophenyl)quinazoline
Smiles: COc1nc(nc2c1cccc2)c1cccc(c1)[N+](=O)[O-]

STK550066
Synonyms: 3- (quinolin- 8- ylcarbamoyl)bicyclo[2.2.1]hept- 5- ene- 2- carboxylicacid
Smiles: O=C(C1C2C=CC(C1C(=O)O)C2)Nc1cccc2c1nccc2

STK550068
Synonyms: 1- amino- 8,8- dimethyl- 5- (morpholin- 4- yl)- N- (naphthalen- 1- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1)Nc1cccc2c1cccc2

STK550069
Synonyms: 5- [3- (6- chloro- 2- methyl- 4- phenylquinolin- 3- yl)- 5- (2- chlorophenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1ccccc1Cl)c1c(C)nc2c(c1c1ccccc1)cc(cc2)Cl

STK838652
Synonyms: 8- bromo- 1,3- dimethyl- 7- (prop- 2- en- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C=CCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C

STK537424
Synonyms: N- (3,5- dimethyl- 1H- pyrazol- 4- yl)propanamide
Smiles: CCC(=O)Nc1c(C)n[nH]c1C

STK839521
Synonyms: 2- {[(2,4- difluorophenyl)amino]methylidene}- 5,5- dimethylcyclohexane- 1,3- dione
Smiles: Fc1ccc(c(c1)F)NC=C1C(=O)CC(CC1=O)(C)C

STK839541
Synonyms: 2- {[(3,4- difluorophenyl)amino]methylidene}- 5,5- dimethylcyclohexane- 1,3- dione
Smiles: O=C1CC(C)(C)CC(=O)C1=CNc1ccc(c(c1)F)F

STK841512
Synonyms: 4- methyl- N'- (1- methyl- 1H- pyrazolo[3,4- d]pyrimidin- 4- yl)benzohydrazide
Smiles: Cc1ccc(cc1)C(=O)NNc1ncnc2c1cnn2C

STK843832
Synonyms: 4- fluoro- 2- [5- (4- methylphenyl)- 4,5- dihydro- 1H- pyrazol- 3- yl]phenol
Smiles: Cc1ccc(cc1)C1NN=C(C1)c1cc(F)ccc1O

STK550070
Synonyms: 4- [(2E)- 2- (3,4- dimethoxybenzylidene)hydrazinyl]- 2- (2- fluorophenyl)quinazoline
Smiles: COc1cc(/C=N/Nc2nc(nc3c2cccc3)c2ccccc2F)ccc1OC

STK550071
Synonyms: N'- (8- chloro- 5H- pyrimido[5,4- b]indol- 4- yl)- N,N- dimethylethane- 1,2- diamine
Smiles: CN(CCNc1ncnc2c1[nH]c1c2cc(cc1)Cl)C

STK550072
Synonyms: 9- fluoro- 7- hydroxy- 3- methyl- N- [2- (morpholin- 4- yl)ethyl]- 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)NCCN1CCOCC1)C

STK550074
Synonyms: 2- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)- N'- [(1E)- 1- (furan- 2- yl)ethylidene]acetohydrazide
Smiles: O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)N/N=C(/c1ccco1)\C

STK550075
Synonyms: 4- {(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)c1ccc(cc1)C(=O)O

STK550078
Synonyms: N'- cyclohexylidene- 2- oxopiperidine- 3- carbohydrazide
Smiles: O=C(C1CCCNC1=O)NN=C1CCCCC1

STK550082
Synonyms: (5Z)- 2- [(2,3- dichlorophenyl)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(c1Cl)Cl

STK844012
Synonyms: 3- [4- (4- fluorophenyl)- 1,3- thiazol- 2- yl]- 8- nitro- 2H- chromen- 2- one
Smiles: Fc1ccc(cc1)c1csc(n1)c1cc2cccc(c2oc1=O)[N+](=O)[O-]

STK550088
Synonyms: 2- {[(E)- 2- (1,3- benzothiazol- 2- yl)- 2- cyanoethenyl]amino}benzoicacid
Smiles: N#C/C(=C\Nc1ccccc1C(=O)O)/c1nc2c(s1)cccc2

STK550091
Synonyms: (9E)- 9- (4- methoxybenzylidene)- 5- (4- methoxyphenyl)- 7- methyl- 3- phenyl- 6,7,8,9- tetrahydro- 5H- pyrido[4,3- d][1,3]thiazolo[3,2- a]pyrimidine
Smiles: COc1ccc(cc1)/C=C/1\CN(C)CC2=C1N=c1scc(n1C2c1ccc(cc1)OC)c1ccccc1

STK550093
Synonyms: ethyl{[2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc(SC)nc2c1c1CCCCc1s2

STK550094
Synonyms: ethyl1- [2- (3,4- dimethoxyphenyl)- 7- ethoxy- 6- methoxyquinazolin- 4- yl]piperidine- 4- carboxylate
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CCC(CC1)C(=O)OCC)c1ccc(c(c1)OC)OC

STK550100
Synonyms: methyl5- ({4- [(E)- (2- {[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (phenoxymethyl)- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)methyl]- 2- ethoxyphenoxy}methyl)furan- 2- carboxylate
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2COc2ccccc2)c2nonc2N)ccc1OCc1ccc(o1)C(=O)OC

STK550104
Synonyms: 4- {3- (3,4- dimethoxyphenyl)- 5- [4- (dimethylamino)phenyl]- 4,5- dihydro- 1H- pyrazol- 1- yl}- 4- oxobutanoicacid
Smiles: COc1ccc(cc1OC)C1=NN(C(C1)c1ccc(cc1)N(C)C)C(=O)CCC(=O)O

STK550105
Synonyms: 3- bromo- 2- oxo- N- (quinolin- 3- yl)- 2H- pyran- 5- carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)Nc1cnc2c(c1)cccc2

STK844014
Synonyms: (5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 3- (4- hydroxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)O

STK844015
Synonyms: (2Z)- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl][2- (4- methoxyphenyl)hydrazinylidene]ethanenitrile
Smiles: COc1ccc(cc1)N/N=C(\c1scc(n1)c1ccc(c(c1)OC)OC)/C#N

STK550108
Synonyms: 2- {4- [(3,4- difluorophenyl)amino]quinazolin- 2- yl}- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Nc2ccc(c(c2)F)F)c2c(n1)cccc2

STK550113
Synonyms: 2,4- dichloro- 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(cc1Cl)Cl

STK550118
Synonyms: (5Z)- 5- (2,3- dimethoxybenzylidene)- 3- (3- methoxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cccc(c1)N1C(=S)S/C(=C\c2cccc(c2OC)OC)/C1=O

STK550119
Synonyms: [(5Z)- 4- oxo- 5- (thiophen- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl](phenyl)aceticacid
Smiles: OC(=O)C(N1C(=S)S/C(=C\c2cccs2)/C1=O)c1ccccc1

STK550127
Synonyms: N~2~- (4- ethoxyphenyl)- N~4~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(N)c(c(n1)Nc1cccc(c1)C)[N+](=O)[O-]

STK550130
Synonyms: 4- {[(2E,5Z)- 5- (4- fluorobenzylidene)- 3- methyl- 4- oxo- 1,3- thiazolidin- 2- ylidene]amino}benzoicacid
Smiles: Fc1ccc(cc1)/C=C/1\S/C(=N/c2ccc(cc2)C(=O)O)/N(C1=O)C

STK550132
Synonyms: 4- (benzylsulfanyl)- 2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine
Smiles: CSc1nc(SCc2ccccc2)c2c(n1)sc1c2CCCC1

STK550136
Synonyms: N- (3- chlorophenyl)- 2- {[3- cyano- 4- (4- hydroxy- 3- methoxyphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)Cl)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2

STK550138
Synonyms: (4bR,7aS,8R)- 6- (2- fluorophenyl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C([C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1F)c1ccccc1

STK844022
Synonyms: (4,5- diphenyl- 1H- imidazol- 1- yl)(piperidin- 1- yl)methanone
Smiles: O=C(n1cnc(c1c1ccccc1)c1ccccc1)N1CCCCC1

STK550147
Synonyms: 4- ({(Z)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)- N- carbamimidoylbenzenesulfonamide
Smiles: N#C/C(=C/Nc1ccc(cc1)S(=O)(=O)NC(=N)N)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK550148
Synonyms: ethyl2- ({(Z)- 2- cyano- 2- [4- (4- nitrophenyl)- 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)[N+](=O)[O-])/C#N)sc2c1CCCC2

STK550151
Synonyms: 8- bromo- 1,3- dimethyl- 7- [2- (pyrimidin- 2- ylsulfanyl)ethyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCSc1ncccn1)c(n2)Br

STK550152
Synonyms: 5- (2- acetyl- 1,2,3,4- tetrahydroisoquinolin- 1- yl)- 3- cyclohexyl- 6- hydroxy- 2- thioxo- 2,3- dihydropyrimidin- 4(1H)- one
Smiles: CC(=O)N1CCc2c(C1c1c(O)[nH]c(=S)n(c1=O)C1CCCCC1)cccc2

STK550153
Synonyms: 2- [(5Z)- 5- (2- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- methylbutanoicacid
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C(C)C

STK844027
Synonyms: methyl4- {(E)- 2- cyano- 2- [4- (4- nitrophenyl)- 1,3- thiazol- 2- yl]ethenyl}benzoate
Smiles: N#C/C(=C\c1ccc(cc1)C(=O)OC)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK844028
Synonyms: 2- (azepan- 1- yl)- N- (2- fluorophenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1F)N1CCCCCC1

STK844029
Synonyms: 2,4- dichloro- N- [(5Z)- 5- (1H- indol- 3- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NN1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O

STK844030
Synonyms: 2- (azepan- 1- yl)- N- (4- methoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCCC1

STK844031
Synonyms: (5Z)- 3- (4- fluorophenyl)- 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)c1ccc(cc1)F

STK844033
Synonyms: N~4~- (furan- 2- ylmethyl)- N~2~- [3- (morpholin- 4- yl)propyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NCc1ccco1)NCCCN1CCOCC1

STK550177
Synonyms: 1- [2- (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([nH]2)C

STK550178
Synonyms: 5- [(1- benzyl- 1H- indol- 3- yl)methylidene]- 1,3- diethyl- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: CCN1C(=O)C(=Cc2cn(c3c2cccc3)Cc2ccccc2)C(=O)N(C1=S)CC

STK550179
Synonyms: (2Z)- [2- (4- methoxyphenyl)hydrazinylidene][4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]ethanenitrile
Smiles: COc1ccc(cc1)N/N=C(\c1scc(n1)c1ccc(cc1)OC)/C#N

STK550180
Synonyms: 4- {(Z)- 2- cyano- 2- [4- (2,4- dimethylphenyl)- 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(cc1C)C

STK550181
Synonyms: 3- [(5Z)- 2,4- dioxo- 5- (thiophen- 2- ylmethylidene)- 1,3- thiazolidin- 3- yl]propanoicacid
Smiles: OC(=O)CCN1C(=O)S/C(=C\c2cccs2)/C1=O

STK550182
Synonyms: N~4~- (4- chlorophenyl)- N~2~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(Nc2ccc(cc2)Cl)c(c(n1)N)[N+](=O)[O-]

STK550184
Synonyms: (5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 2- [(4- methylphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: COc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1ccc(cc1)C

STK550190
Synonyms: (5Z)- 3- (3,4- dichlorophenyl)- 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)c1ccc(c(c1)Cl)Cl

STK550191
Synonyms: (2Z)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- [(4- butylphenyl)amino]prop- 2- enenitrile
Smiles: CCCCc1ccc(cc1)N/C=C(\c1scc(n1)c1cc2cc(Br)ccc2oc1=O)/C#N

STK550193
Synonyms: 4- (4- methoxyphenyl)- 7,7- dimethyl- 2- {[2- (4- methylphenyl)- 2- oxoethyl]sulfanyl}- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)C)NC2=C(C1c1ccc(cc1)OC)C(=O)CC(C2)(C)C

STK550197
Synonyms: 2- (2,6- dimethylmorpholin- 4- yl)- N- (4- methoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CC(C)OC(C1)C

STK550200
Synonyms: (5Z)- 3- (naphthalen- 2- yl)- 5- (thiophen- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2cccs2)/C(=O)N1c1ccc2c(c1)cccc2

STK550202
Synonyms: 4- (3,5- dimethylphenoxy)- 2- (pyridin- 4- yl)quinazoline
Smiles: Cc1cc(C)cc(c1)Oc1nc(nc2c1cccc2)c1ccncc1

STK550204
Synonyms: methyl3- [({1- [(4,6- dimethyl- 2- oxo- 2H- pyran- 5- yl)carbonyl]- 1H- pyrazol- 3- yl}carbonyl)amino]benzoate
Smiles: COC(=O)c1cccc(c1)NC(=O)c1ccn(n1)C(=O)c1c(C)cc(=O)oc1C

STK844039
Synonyms: 2- {4- [(1- phenylethyl)amino]quinazolin- 2- yl}phenol
Smiles: CC(c1ccccc1)Nc1nc(nc2c1cccc2)c1ccccc1O

STK844042
Synonyms: 6- {[2- (benzylamino)- 2- oxoethyl]sulfanyl}- 5- cyano- 4- (furan- 2- yl)- 2- methyl- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)NCc2ccccc2)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1)C

STK550214
Synonyms: ethyl1- amino- 5- (morpholin- 4- yl)- 8- (propan- 2- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c1CC(OCc1c(n2)N1CCOCC1)C(C)C

STK550215
Synonyms: (2Z)- [2- (4- chlorophenyl)hydrazinylidene][4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)Cl)/c1scc(n1)c1ccc(cc1)OC

STK550216
Synonyms: 4- butyl- 7- ethoxy- 2,3,5a,10b- tetrahydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncnc3OCC

STK550223
Synonyms: N~2~- methyl- N~4~- (3- methylphenyl)- 5- nitro- N~2~- phenylpyrimidine- 2,4,6- triamine
Smiles: Cc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N(c1ccccc1)C

STK550225
Synonyms: (2Z)- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl][2- (4- methylphenyl)hydrazinylidene]ethanenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=N\Nc1ccc(cc1)C)/C#N

STK550230
Synonyms: 8- fluoro- N- [2- (morpholin- 4- yl)ethyl]- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: Fc1ccc2c(c1)c1ncnc(c1[nH]2)NCCN1CCOCC1

STK550234
Synonyms: N~4~- (2- fluorophenyl)- N~2~- (3- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Fc1cccc(c1)Nc1nc(N)c(c(n1)Nc1ccccc1F)[N+](=O)[O-]

STK550237
Synonyms: N- [3- (1H- benzotriazol- 1- yl)- 2- hydroxypropyl]- N- (4- methylphenyl)benzenesulfonamide
Smiles: Cc1ccc(cc1)N(S(=O)(=O)c1ccccc1)CC(Cn1nnc2c1cccc2)O

STK550241
Synonyms: 6- [(2- 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)N)NC(=C(C1c1ccco1)C(=O)Nc1ccc(cc1)F)C

STK550248
Synonyms: (5Z)- 2- {[3- (trifluoromethyl)phenyl]amino}- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1cc(/C=C/2\SC(=NC2=O)Nc2cccc(c2)C(F)(F)F)cc(c1OC)OC

STK844047
Synonyms: (5Z)- 3- [4- (diethylamino)phenyl]- 5- (3- ethoxy- 4- hydroxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)N(CC)CC

STK550254
Synonyms: 2- (methylsulfanyl)- 4- (propan- 2- ylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine
Smiles: CSc1nc(SC(C)C)c2c(n1)sc1c2CCCC1

STK550260
Synonyms: 3- [4- (naphthalen- 1- yl)- 1,3- thiazol- 2- yl]- 8- nitro- 2H- chromen- 2- one
Smiles: O=c1oc2c(cc1c1scc(n1)c1cccc3c1cccc3)cccc2[N+](=O)[O-]

STK550267
Synonyms: (5Z)- 2- [(4- chlorophenyl)amino]- 5- (2,5- dimethoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1ccc(cc1/C=C/1\SC(=NC1=O)Nc1ccc(cc1)Cl)OC

STK550269
Synonyms: 4- {[7- (dimethylamino)- 4- nitro- 2,1,3- benzoxadiazol- 5- yl]amino}- 1,5- dimethyl- 2- phenyl- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: [O-][N+](=O)c1c(Nc2c(C)n(n(c2=O)c2ccccc2)C)cc(c2c1non2)N(C)C

STK550271
Synonyms: 3,5- diethyl- 2- [(2- hydroxyethyl)amino]- 5- methyl- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: OCCNc1nc2c3ccccc3CC(c2c(=O)n1CC)(C)CC

STK550272
Synonyms: 3- [(5Z)- 5- (3- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzoicacid
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)C(=O)O

STK550278
Synonyms: 5- {[4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]carbonyl}- 3- bromo- 2H- pyran- 2- one
Smiles: O=C(c1coc(=O)c(c1)Br)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK844051
Synonyms: N~2~- benzyl- N~4~- (furan- 2- ylmethyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NCc2ccco2)nc(nc1N)NCc1ccccc1

STK550281
Synonyms: (2Z)- 3- [(3- chloro- 4- fluorophenyl)amino]- 2- [4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(c(c1)Cl)F)/c1scc(n1)c1ccc2c(c1)cccc2

STK550283
Synonyms: 9- [(1Z)- N- hydroxyethanimidoyl]- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 4- ol
Smiles: O/N=C(\c1c2CCN(Cc2c(c2c1OCO2)O)C)/C

STK550290
Synonyms: 2- [4- (4- benzylpiperidin- 1- yl)quinazolin- 2- yl]- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc(N2CCC(CC2)Cc2ccccc2)c2c(n1)cccc2

STK550294
Synonyms: N- [(5Z)- 5- (2,3- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- nitrobenzamide
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK844056
Synonyms: (2Z)- 2- [4- (4- bromophenyl)- 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(cc1)Br

STK844057
Synonyms: ethyl2- ({(E)- 2- cyano- 2- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzoate
Smiles: CCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1cccc(c1)OC)\C#N

STK550302
Synonyms: (5Z)- 5- (2,5- dimethoxybenzylidene)- 3- (3- methoxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1ccc(c(c1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)OC)OC

STK550307
Synonyms: 4- (2,4- dichlorophenoxy)- 2- (pyridin- 2- yl)quinazoline
Smiles: Clc1ccc(c(c1)Cl)Oc1nc(nc2c1cccc2)c1ccccn1

STK844059
Synonyms: 1,3- dimethyl- 7- (3- methylbenzyl)- 8- {[2- (morpholin- 4- yl)ethyl]sulfanyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1cccc(c1)Cn1c(SCCN2CCOCC2)nc2c1c(=O)n(c(=O)n2C)C

STK550310
Synonyms: (5Z)- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 3- [3- (trifluoromethyl)phenyl]- 1,3- thiazolidin- 4- one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)C(F)(F)F

STK550313
Synonyms: [5- (2,3- dimethoxyphenyl)- 3- (4- methylphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl](2- fluorophenyl)methanone
Smiles: COc1cccc(c1OC)C1CC(=NN1C(=O)c1ccccc1F)c1ccc(cc1)C

STK550318
Synonyms: 10- butyl- 7,8,9,11a- tetrahydro- 6bH- cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncn1c3ncn1

STK550319
Synonyms: 2- (4- benzylpiperazin- 1- yl)- N'- [(E)- (3- phenoxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1)N/N=C/c1cccc(c1)Oc1ccccc1

STK550321
Synonyms: 1- (furan- 2- yl)- 3- methyl- N- (1- phenylethyl)but- 3- en- 1- amine
Smiles: CC(=C)CC(c1ccco1)NC(c1ccccc1)C

STK844062
Synonyms: 5- cyano- 4- (3,4- dimethoxyphenyl)- 2- methyl- N- (2- methylphenyl)- 6- (methylsulfanyl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SC)NC(=C(C1c1ccc(c(c1)OC)OC)C(=O)Nc1ccccc1C)C

STK550325
Synonyms: N- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 9- yl)acetamide
Smiles: COc1c2CN(C)CCc2c(c2c1OCO2)NC(=O)C

STK550327
Synonyms: 3,5- dimethoxy- N- {[2- (pyrazin- 2- ylcarbonyl)hydrazinyl]carbonothioyl}benzamide
Smiles: COc1cc(OC)cc(c1)C(=O)NC(=S)NNC(=O)c1cnccn1

STK550330
Synonyms: (2Z)- [4- (2,4- dichlorophenyl)- 1,3- thiazol- 2- yl][2- (4- methoxyphenyl)hydrazinylidene]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)OC)/c1scc(n1)c1ccc(cc1Cl)Cl

STK550332
Synonyms: 4- butyl- N- (2- methylpropyl)- 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)ncnc3NCC(C)C

STK550335
Synonyms: (1E)- N- hydroxy- 1- (1H- indol- 5- yl)ethanimine
Smiles: O/N=C(/c1ccc2c(c1)cc[nH]2)\C

STK550338
Synonyms: N~2~- (4- chlorophenyl)- N~4~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(Nc2ccc(cc2)Cl)nc(c1[N+](=O)[O-])N

STK844065
Synonyms: 3- 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)c1cccc(c1)O

STK844066
Synonyms: ethyl2- {[(Z)- 2- cyano- 2- (4- phenyl- 1,3- thiazol- 2- yl)ethenyl]amino}benzoate
Smiles: CCOC(=O)c1ccccc1N/C=C(\c1scc(n1)c1ccccc1)/C#N

STK550347
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- oxo- 2H- chromen- 7- yl2- bromobenzoate
Smiles: O=c1oc2cc(ccc2cc1c1nc2c(s1)cccc2)OC(=O)c1ccccc1Br

STK844067
Synonyms: (2Z)- 3- [(3- chloro- 4- fluorophenyl)amino]- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(c(c1)Cl)F)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK844068
Synonyms: 3- chloro- N- [(5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)Cl

STK550352
Synonyms: 1- (4- chloro- 3- nitrophenyl)- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c2nc3ccccc3nc2n(c1N)c1ccc(c(c1)[N+](=O)[O-])Cl

STK550355
Synonyms: {[2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]sulfanyl}aceticacid
Smiles: CSc1nc(SCC(=O)O)c2c(n1)sc1c2CCCC1

STK550356
Synonyms: (2Z)- [2- (4- methoxyphenyl)hydrazinylidene][4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)OC)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK550357
Synonyms: 6- ({2- [(4- bromophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (4- ethoxyphenyl)- 2- methyl- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCOc1ccc(cc1)C1C(=C(SCC(=O)Nc2ccc(cc2)Br)NC(=C1C(=O)Nc1ccccc1)C)C#N

STK844071
Synonyms: N- [5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)- 2- (morpholin- 4- yl)phenyl]- 2- (3- methylphenoxy)acetamide
Smiles: O=C(Nc1cc(ccc1N1CCOCC1)c1nn(C)c(=O)c2c1cccc2)COc1cccc(c1)C

STK550362
Synonyms: N- (3- methylphenyl)- 2- (4- methylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CCN(CC1)c1nc(Nc2cccc(c2)C)c(c(n1)N)[N+](=O)[O-]

STK550363
Synonyms: 4- (ethylsulfanyl)- 2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine
Smiles: CCSc1nc(SC)nc2c1c1CCCCc1s2

STK550365
Synonyms: 5- cyano- 4- (furan- 2- yl)- 6- ({2- [(3- methoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)OC)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1)C

STK550368
Synonyms: 2- [(5Z)- 5- (2,5- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- methylbutanoicacid
Smiles: COc1ccc(cc1/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C(C)C)OC

STK550370
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 6- ethyl- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- yl2- chlorobenzoate
Smiles: CCc1cc2c(cc1OC(=O)c1ccccc1Cl)oc(c(c2=O)c1nc2c(s1)cccc2)C(F)(F)F

STK550372
Synonyms: 1- benzyl- 4- [5- (trifluoromethyl)- 1,3,4- thiadiazol- 2- yl]piperazine
Smiles: FC(c1nnc(s1)N1CCN(CC1)Cc1ccccc1)(F)F

STK844074
Synonyms: 2- [2- hydroxy- 3- (4- methoxyphenoxy)propoxy]- 1H- isoindole- 1,3(2H)- dione
Smiles: COc1ccc(cc1)OCC(CON1C(=O)c2c(C1=O)cccc2)O

STK550381
Synonyms: N- (4- methylphenyl)- 2- [(3,4,8- trimethyl- 2- oxo- 2H- chromen- 7- yl)oxy]acetamide
Smiles: O=C(Nc1ccc(cc1)C)COc1ccc2c(c1C)oc(=O)c(c2C)C

STK550382
Synonyms: dipropan- 2- yl[(2,4- dimethoxyphenyl)(hydroxy)methyl]phosphonate
Smiles: COc1cc(OC)ccc1C(P(=O)(OC(C)C)OC(C)C)O

STK550383
Synonyms: 2- {[2- hydroxy- 3- (4- methylphenoxy)propyl]carbamoyl}benzoicacid
Smiles: OC(COc1ccc(cc1)C)CNC(=O)c1ccccc1C(=O)O

STK844075
Synonyms: (2Z)- 3- [(4- fluoro- 2- nitrophenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1[N+](=O)[O-])F)/c1scc(n1)c1cc2ccccc2oc1=O

STK550386
Synonyms: (2Z)- 3- {[4- chloro- 3- (trifluoromethyl)phenyl]amino}- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(c(c1)C(F)(F)F)Cl)/c1scc(n1)c1cc2ccccc2oc1=O

STK550387
Synonyms: 2- {[3- cyano- 4- (4- hydroxy- 3- methoxyphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C(F)(F)F)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2

STK844078
Synonyms: (2Z)- [2- (4- fluorophenyl)hydrazinylidene][4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)F)/c1scc(n1)c1cc2ccccc2oc1=O

STK550402
Synonyms: 5- (3,5- diphenyl- 4,5- dihydro- 1H- pyrazol- 1- yl)- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1ccccc1)c1ccccc1

STK844082
Synonyms: ethyl2- ({(E)- 2- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)benzoate
Smiles: CCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1ccc(cc1)Br)\C#N

STK550418
Synonyms: N- [(5Z)- 5- (2,5- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- hydroxybenzamide
Smiles: COc1ccc(c(c1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)O)OC

STK550420
Synonyms: 1,5- dimethyl- 4- {[7- (3- methylpiperidin- 1- yl)- 4- nitro- 2,1,3- benzoxadiazol- 5- yl]amino}- 2- phenyl- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: CC1CCCN(C1)c1cc(Nc2c(C)n(n(c2=O)c2ccccc2)C)c(c2c1non2)[N+](=O)[O-]

STK844085
Synonyms: 2- methoxy- 6- [4- (3- methylpiperidin- 1- yl)quinazolin- 2- yl]phenol
Smiles: COc1cccc(c1O)c1nc2ccccc2c(n1)N1CCCC(C1)C

STK550430
Synonyms: 2- (4- benzylpiperidin- 1- yl)- N- (4- chlorophenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Clc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)Cc1ccccc1

STK550431
Synonyms: 3,7- bis[(2- bromophenyl)carbonyl]- 1,5- dimethyl- 3,7- diazabicyclo[3.3.1]nonan- 9- one
Smiles: O=C1C2(C)CN(CC1(C)CN(C2)C(=O)c1ccccc1Br)C(=O)c1ccccc1Br

STK844087
Synonyms: 1- (piperidin- 1- yl)- 2- {4- [4- (piperidin- 1- yl)phthalazin- 1- yl]phenoxy}ethanone
Smiles: O=C(N1CCCCC1)COc1ccc(cc1)c1nnc(c2c1cccc2)N1CCCCC1

STK844088
Synonyms: 4- methyl- N- [5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)- 2- (morpholin- 4- yl)phenyl]benzamide
Smiles: Cc1ccc(cc1)C(=O)Nc1cc(ccc1N1CCOCC1)c1nn(C)c(=O)c2c1cccc2

STK550435
Synonyms: 2- [(5Z)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoicacid
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)CC

STK550440
Synonyms: 4- {[2- (2- fluorophenyl)quinazolin- 4- yl]oxy}benzonitrile
Smiles: N#Cc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccc1F

STK550444
Synonyms: 3- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]- 8- nitro- 2H- chromen- 2- one
Smiles: COc1cccc(c1)c1csc(n1)c1cc2cccc(c2oc1=O)[N+](=O)[O-]

STK550447
Synonyms: (2E)- 3- [(3- chloro- 4- fluorophenyl)amino]- 2- [4- (4- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)Cl)F)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK550448
Synonyms: 1- (3- methylphenoxy)- 3- (pyrrolidin- 1- yl)propan- 2- ol
Smiles: OC(CN1CCCC1)COc1cccc(c1)C

STK550451
Synonyms: 2- bromo- N- [(5Z)- 5- (2,3- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1Br

STK550457
Synonyms: 1- amino- 5- (morpholin- 4- yl)- N- (2- phenylethyl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1)NCCc1ccccc1

STK550462
Synonyms: 2- {[3- cyano- 4- (4- hydroxy- 3- methoxyphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2

STK550467
Synonyms: N- carbamimidoyl- 4- ({(E)- 2- cyano- 2- [4- (4- cyclohexylphenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)NC(=N)N)/c1scc(n1)c1ccc(cc1)C1CCCCC1

STK844093
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- methyl- 4- oxo- 4H- chromen- 7- ylmorpholine- 4- carboxylate
Smiles: O=C(N1CCOCC1)Oc1ccc2c(c1)oc(c(c2=O)c1nc2c(s1)cccc2)C

STK550474
Synonyms: N- [(5Z)- 5- (2,3- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- fluorobenzamide
Smiles: COc1cccc(c1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)F

STK550476
Synonyms: 7- hydroxy- 6- (prop- 2- en- 1- yl)- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidin- 5- one
Smiles: C=CCc1c(O)nc2n(c1=O)CCS2

STK844094
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 8- methyl- 4- oxo- 4H- chromen- 7- yl2- chlorobenzoate
Smiles: O=C(c1ccccc1Cl)Oc1ccc2c(c1C)occ(c2=O)c1nc2c(s1)cccc2

STK550478
Synonyms: 2- amino- 9- (2- fluorophenyl)- 4- methyl- 7- oxo- 6,7,8,9- tetrahydrothieno[2,3- b:4,5- b']dipyridine- 3- carbonitrile
Smiles: N#Cc1c(N)nc2c(c1C)sc1c2C(CC(=O)N1)c1ccccc1F

STK844096
Synonyms: 2- methoxy- N- [5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)- 2- (morpholin- 4- yl)phenyl]benzamide
Smiles: COc1ccccc1C(=O)Nc1cc(ccc1N1CCOCC1)c1nn(C)c(=O)c2c1cccc2

STK844097
Synonyms: 4- [(Z)- 2- cyano- 2- {4- [4- (2- methylpropyl)phenyl]- 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)CC(C)C

STK550485
Synonyms: 2- (2- fluorophenyl)- 4- (4- methylphenoxy)quinazoline
Smiles: Cc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccc1F

STK550487
Synonyms: benzyl5- cyano- 4- (furan- 2- yl)- 6- ({2- [(4- methoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)OC)NC(=C(C1c1ccco1)C(=O)OCc1ccccc1)C

STK844098
Synonyms: methyl4- {(Z)- 2- cyano- 2- [4- (4- fluorophenyl)- 1,3- thiazol- 2- yl]ethenyl}benzoate
Smiles: N#C/C(=C/c1ccc(cc1)C(=O)OC)/c1scc(n1)c1ccc(cc1)F

STK550489
Synonyms: (2Z)- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl][2- (4- ethylphenyl)hydrazinylidene]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)CC)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK550491
Synonyms: ethyl5- bromo- 3- {[3- (3,5- dimethylpiperidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CC(C)CC(C1)C)cc(cc2)Br

STK550496
Synonyms: 1- methyl- 4- [5- (trifluoromethyl)- 1,3,4- thiadiazol- 2- yl]piperazine
Smiles: CN1CCN(CC1)c1nnc(s1)C(F)(F)F

STK550498
Synonyms: N- [(5Z)- 5- (2,3- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- hydroxybenzamide
Smiles: COc1cccc(c1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)O

STK550502
Synonyms: 3- bromo- N- (6- methylpyridin- 2- yl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: Cc1cccc(n1)NC(=O)c1coc(=O)c(c1)Br

STK844105
Synonyms: dimethyl5- ({(Z)- 2- cyano- 2- [4- (4- methylphenyl)- 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(cc1)C

STK550512
Synonyms: 3- (4- chlorophenyl)- 2- [(Z)- (5- methyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)n1c(/C=C/2\C(=O)Nc3c2cc(C)cc3)nc2c(c1=O)cccc2

STK844109
Synonyms: N~2~,N~4~- dibenzyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NCc2ccccc2)nc(nc1N)NCc1ccccc1

STK550523
Synonyms: [1- (3,4- diethoxybenzyl)- 6,7- diethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl](4- methyl- 1,3- thiazol- 5- yl)methanone
Smiles: CCOc1cc(ccc1OCC)CC1c2cc(OCC)c(cc2CCN1C(=O)c1scnc1C)OCC

STK844110
Synonyms: N- [(5Z)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2- methoxybenzamide
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1OC

STK550524
Synonyms: 3- [(2,4- dimethylphenyl)sulfonyl]- 2- (4- methylphenyl)- 1,3- thiazolidine
Smiles: Cc1ccc(cc1)C1SCCN1S(=O)(=O)c1ccc(cc1C)C

STK550531
Synonyms: N~6~- (3,4- dimethylphenyl)- N~4~- ethyl- 7- nitro- 2,1,3- benzoxadiazole- 4,6- diamine
Smiles: CCNc1cc(Nc2ccc(c(c2)C)C)c(c2c1non2)[N+](=O)[O-]

STK844113
Synonyms: (2Z)- 3- [(3,4- difluorophenyl)amino]- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(c(c1)F)F)/c1scc(n1)c1ccc(c(c1)OC)OC

STK550534
Synonyms: N- [3- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 3- phenylpropyl]thiophene- 2- carboxamide
Smiles: O=C(c1cccs1)NCCC(c1ccccc1)C1CCOC(C1)(C)C

STK844114
Synonyms: 2- chloro- N- [5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)- 2- (morpholin- 4- yl)phenyl]benzamide
Smiles: O=C(c1ccccc1Cl)Nc1cc(ccc1N1CCOCC1)c1nn(C)c(=O)c2c1cccc2

STK844115
Synonyms: 4- {(Z)- 2- cyano- 2- [4- (4- fluorophenyl)- 1,3- thiazol- 2- yl]ethenyl}phenylacetate
Smiles: N#C/C(=C/c1ccc(cc1)OC(=O)C)/c1scc(n1)c1ccc(cc1)F

STK844116
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 8- methyl- 4- oxo- 4H- chromen- 7- yl2- methoxybenzoate
Smiles: COc1ccccc1C(=O)Oc1ccc2c(c1C)occ(c2=O)c1nc2c(s1)cccc2

STK550541
Synonyms: 10- (4- ethylphenyl)pyrimido[4,5- b]quinoline- 2,4(3H,10H)- dione
Smiles: CCc1ccc(cc1)n1c2ccccc2cc2c1nc(=O)[nH]c2=O

STK844117
Synonyms: 2- {[5,6- di(furan- 2- yl)- 1,2,4- triazin- 3- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(c(n1)c1ccco1)c1ccco1

STK550543
Synonyms: 2- [4- (diethylamino)quinazolin- 2- yl]- 6- methoxyphenol
Smiles: CCN(c1nc(nc2c1cccc2)c1cccc(c1O)OC)CC

STK550547
Synonyms: 5- [5- (2- chlorophenyl)- 3- (4- ethylphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 5- oxopentanoicacid
Smiles: CCc1ccc(cc1)C1=NN(C(C1)c1ccccc1Cl)C(=O)CCCC(=O)O

STK550557
Synonyms: ethyl7- [(3,4- dihydroisoquinolin- 2(1H)- ylacetyl)amino]- 5H- [1,3]dioxolo[4,5- f]indole- 6- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c(C1)cccc3)cc1c(c2)OCO1

STK550558
Synonyms: N~2~,N~2~- dimethyl- N~4~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N(C)C

STK550560
Synonyms: 1- {1,4- dioxo- 3- [(phenylsulfonyl)amino]- 1,4- dihydronaphthalen- 2- yl}piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)C1=C(NS(=O)(=O)c2ccccc2)C(=O)c2c(C1=O)cccc2

STK550561
Synonyms: N~4~- (4- chlorophenyl)- N~2~- cyclohexyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Clc1ccc(cc1)Nc1nc(NC2CCCCC2)nc(c1[N+](=O)[O-])N

STK844120
Synonyms: N- (4- {[4- (4- ethoxyphenyl)phthalazin- 1- yl]amino}phenyl)acetamide
Smiles: CCOc1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc(cc1)NC(=O)C

STK550572
Synonyms: 2,4- dichloro- N- {(5Z)- 4- oxo- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 3- yl}benzamide
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1Cl)Cl

STK550573
Synonyms: (2E)- 3- {[4- chloro- 2- (trifluoromethyl)phenyl]amino}- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C(F)(F)F)Cl)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK550575
Synonyms: prop- 2- en- 1- yl5- cyano- 6- {[2- (diphenylamino)- 2- oxoethyl]sulfanyl}- 4- (4- hydroxy- 3- methoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)C#N)SCC(=O)N(c1ccccc1)c1ccccc1

STK550578
Synonyms: 4- (2,3- dimethylphenoxy)- 2- (pyridin- 4- yl)quinazoline
Smiles: Cc1cccc(c1C)Oc1nc(nc2c1cccc2)c1ccncc1

STK550582
Synonyms: 2- [(4- amino- 6- propyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCC(=O)N

STK550583
Synonyms: 2- methoxyethyl6- [(2- chlorobenzyl)sulfanyl]- 4- (2- chlorophenyl)- 5- cyano- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCc1ccccc1Cl

STK844122
Synonyms: 9- chloro- 5- phenyl- 2- (thiophen- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1ccccc1)c1cccs1

STK844123
Synonyms: (2Z)- 3- [(4- fluoro- 2- nitrophenyl)amino]- 2- [4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1[N+](=O)[O-])F)/c1scc(n1)c1ccc2c(c1)cccc2

STK550592
Synonyms: (4- chlorophenyl)[1- (3,4- diethoxybenzyl)- 6,7- diethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl]methanone
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)c1ccc(cc1)Cl

STK550593
Synonyms: 1- (cyclohex- 3- en- 1- ylmethoxy)- 3- (dibenzylamino)propan- 2- ol
Smiles: OC(CN(Cc1ccccc1)Cc1ccccc1)COCC1CCC=CC1

STK550594
Synonyms: 2- (2,4- dichlorophenoxy)- 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)COc1ccc(cc1Cl)Cl

STK550597
Synonyms: (5Z)- 2- [(3,4- dimethylphenyl)amino]- 5- (2- methoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1ccccc1/C=C/1\SC(=NC1=O)Nc1ccc(c(c1)C)C

STK550598
Synonyms: 5- (2- methoxyphenyl)- 1- phenyl- 3- (phenylcarbonyl)- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: COc1ccccc1N1C(=O)C2C(C1=O)N(N=C2C(=O)c1ccccc1)c1ccccc1

STK550599
Synonyms: N,N- dimethyl- N'- [2- (pyridin- 4- yl)quinazolin- 4- yl]propane- 1,3- diamine
Smiles: CN(CCCNc1nc(nc2c1cccc2)c1ccncc1)C

STK844126
Synonyms: (2Z)- [2- (4- chlorophenyl)hydrazinylidene][4- (4- fluorophenyl)- 1,3- thiazol- 2- yl]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)Cl)/c1scc(n1)c1ccc(cc1)F

STK550600
Synonyms: N- [(5Z)- 5- (2,5- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2- hydroxybenzamide
Smiles: COc1ccc(c(c1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1O)OC

STK550608
Synonyms: N- [(4E)- 2- (4- methoxyphenyl)- 4H- chromen- 4- ylidene]- N'- phenylbenzene- 1,4- diamine
Smiles: COc1ccc(cc1)c1c/c(=N\c2ccc(cc2)Nc2ccccc2)/c2c(o1)cccc2

STK550609
Synonyms: (4E)- 4- [(2E)- (4- phenyl- 1,3- thiazol- 2(3H)- ylidene)hydrazinylidene]- 1,3- thiazolidin- 2- one
Smiles: O=C1SC/C(=N\N=c/2\scc([nH]2)c2ccccc2)/N1

STK550611
Synonyms: 4- bromo- 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(cc1)Br

STK550612
Synonyms: 1- [1- (3,4- diethoxybenzyl)- 6,7- diethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl]- 2- [(1- methyl- 1H- imidazol- 2- yl)sulfanyl]ethanone
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)CSc1nccn1C

STK550613
Synonyms: 4- [(5Z)- 5- (2- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzoicacid
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)C(=O)O

STK844128
Synonyms: (5Z)- 3- (4- ethoxyphenyl)- 5- (2- methoxybenzylidene)- 1,3- thiazolidine- 2,4- dione
Smiles: CCOc1ccc(cc1)N1C(=O)S/C(=C\c2ccccc2OC)/C1=O

STK844129
Synonyms: dimethyl5- {[(Z)- 2- cyano- 2- {4- [4- (2- methylpropyl)phenyl]- 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(cc1)CC(C)C

STK550633
Synonyms: 2- {[4- amino- 6- (benzylamino)- 5- nitropyrimidin- 2- yl]amino}ethanol
Smiles: OCCNc1nc(NCc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK550637
Synonyms: 2- [(5Z)- 5- (2,5- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoicacid
Smiles: CCC(N1C(=S)S/C(=C\c2cc(OC)ccc2OC)/C1=O)C(=O)O

STK550645
Synonyms: 2- (3,4- dimethoxyphenyl)- 7- ethoxy- 6- methoxy- N- [3- (morpholin- 4- yl)propyl]quinazolin- 4- amine
Smiles: CCOc1cc2nc(nc(c2cc1OC)NCCCN1CCOCC1)c1ccc(c(c1)OC)OC

STK550650
Synonyms: (2E)- [2- (4- methylphenyl)hydrazinylidene][4- (naphthalen- 1- yl)- 1,3- thiazol- 2- yl]ethanenitrile
Smiles: N#C/C(=N\Nc1ccc(cc1)C)/c1scc(n1)c1cccc2c1cccc2

STK844133
Synonyms: 4'- [2- hydroxy- 3- (morpholin- 4- yl)propoxy]biphenyl- 4- carbonitrile
Smiles: OC(CN1CCOCC1)COc1ccc(cc1)c1ccc(cc1)C#N

STK550653
Synonyms: N- carbamimidoyl- 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(=N)N)/c1scc(n1)c1ccc(cc1)F

STK844134
Synonyms: N- [5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)- 2- (morpholin- 4- yl)phenyl]benzenesulfonamide
Smiles: O=c1n(C)nc(c2c1cccc2)c1ccc(c(c1)NS(=O)(=O)c1ccccc1)N1CCOCC1

STK550654
Synonyms: 2- [4- (benzylamino)quinazolin- 2- yl]- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc(NCc2ccccc2)c2c(n1)cccc2

STK550655
Synonyms: 2- (methylsulfanyl)- 4- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine
Smiles: CSc1nc(SC/C=C/c2ccccc2)c2c(n1)sc1c2CCCC1

STK550660
Synonyms: 1- (2,5- dimethoxyphenyl)- 3- [(2R)- 1- hydrazinyl- 1- oxo- 3- phenylpropan- 2- yl]urea(non- preferredname)
Smiles: NNC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cc(OC)ccc1OC

STK844139
Synonyms: N- (8- methyl- 2- phenylimidazo[1,2- a]pyridin- 3- yl)- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: O=C(c1cc2ccccc2oc1=O)Nc1c(nc2n1cccc2C)c1ccccc1

STK550664
Synonyms: N- [(5Z)- 5- (2,3- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2- nitrobenzamide
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1[N+](=O)[O-]

STK550668
Synonyms: 2- methoxy- 6- [4- (2- methylpiperidin- 1- yl)quinazolin- 2- yl]phenol
Smiles: COc1cccc(c1O)c1nc2ccccc2c(n1)N1CCCCC1C

STK844142
Synonyms: N,N- diethyl- 4,5- diphenyl- 1H- imidazole- 1- carboxamide
Smiles: CCN(C(=O)n1cnc(c1c1ccccc1)c1ccccc1)CC

STK550669
Synonyms: N'- [(1E,2Z)- 2- chloro- 3- phenylprop- 2- en- 1- ylidene]- 2- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)acetohydrazide
Smiles: Cl/C(=C\c1ccccc1)/C=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

STK550675
Synonyms: N- (4- chlorophenyl)- 2- (2,6- dimethylmorpholin- 4- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1OC(C)CN(C1)c1nc(Nc2ccc(cc2)Cl)c(c(n1)N)[N+](=O)[O-]

STK844143
Synonyms: ethyl2- ({(E)- 2- cyano- 2- [4- (4- fluorophenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzoate
Smiles: CCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1ccc(cc1)F)\C#N

STK550680
Synonyms: (2Z)- 3- [(2,4- difluorophenyl)amino]- 2- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C\Nc1ccc(cc1F)F)/C#N

STK550681
Synonyms: 2- methoxyethyl4- (4- chlorophenyl)- 5- cyano- 6- {[2- (cyclohexylamino)- 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)NC1CCCCC1

STK844144
Synonyms: dimethyl5- ({(Z)- 2- [4- (1,3- benzodioxol- 5- yl)- 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)c1ccc2c(c1)OCO2

STK550682
Synonyms: N- [(5Z)- 5- (3- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- nitrobenzamide
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK550689
Synonyms: N~4~- (4- fluorophenyl)- N~2~- (furan- 2- ylmethyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Fc1ccc(cc1)Nc1nc(NCc2ccco2)nc(c1[N+](=O)[O-])N

STK550690
Synonyms: (5Z)- 2- [(3- 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)Nc1cccc(c1)Cl

STK844147
Synonyms: N~4~- benzyl- N~2~- [3- (morpholin- 4- yl)propyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NCc1ccccc1)NCCCN1CCOCC1

STK550691
Synonyms: N,N'- bis(3- chloro- 2,5,6- trifluoropyridin- 4- yl)benzene- 1,2- diamine
Smiles: Fc1nc(F)c(c(c1F)Nc1ccccc1Nc1c(F)c(F)nc(c1Cl)F)Cl

STK550697
Synonyms: 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- (3- methylpiperidin- 1- yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCCC(C1)C)c([nH]2)C

STK550699
Synonyms: (5Z)- 5- (2,3- dimethoxybenzylidene)- 3- (phenylamino)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)Nc1ccccc1

STK844149
Synonyms: ethyl2- ({(Z)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)benzoate
Smiles: CCOC(=O)c1ccccc1N/C=C(\c1scc(n1)c1ccc2c(c1)OCO2)/C#N

STK844150
Synonyms: propan- 2- yl5- {[(2- chlorophenyl)carbonyl]oxy}- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CC(OC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1ccccc1Cl)C

STK550702
Synonyms: 12- ethyl- 9- (ethylsulfanyl)- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclohexan]- 7(12H)- one
Smiles: CCSc1nnc2n1c(=O)c1c(n2CC)c2ccccc2CC21CCCCC2

STK550710
Synonyms: (2E,5Z)- 2- [(2,4- dichlorophenyl)imino]- 5- (3- ethoxy- 4- hydroxybenzylidene)- 1,3- thiazolidin- 4- one
Smiles: CCOc1cc(ccc1O)/C=C/1\S/C(=N/c2ccc(cc2Cl)Cl)/NC1=O

STK550712
Synonyms: 3- {[(E)- (3- fluorophenyl)methylidene]amino}- 7,8- dimethoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1cc2c(cc1OC)[nH]c1c2ncn(c1=O)/N=C/c1cccc(c1)F

STK844154
Synonyms: dipropan- 2- yl[(2,4- dichlorophenyl)(phenylamino)methyl]phosphonate
Smiles: CC(OP(=O)(C(c1ccc(cc1Cl)Cl)Nc1ccccc1)OC(C)C)C

STK550723
Synonyms: 4- (4- methylphenyl)- 1- [(naphthalen- 2- ylmethyl)sulfanyl]- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccc2c(c1)cccc2

STK550726
Synonyms: (4E)- 4- {[4- (dimethylamino)phenyl]imino}- 5- hydroxy- 2- (morpholin- 4- yl)naphthalen- 1(4H)- one
Smiles: CN(c1ccc(cc1)/N=C/1\C=C(N2CCOCC2)C(=O)c2c1c(O)ccc2)C

STK550728
Synonyms: 4- {(Z)- 2- [4- (3- bromophenyl)- 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)c1cccc(c1)Br

STK550742
Synonyms: (5Z)- 2- [(3,4- dimethylphenyl)amino]- 5- (4- hydroxy- 3- methoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1ccc(c(c1)C)C

STK550743
Synonyms: prop- 2- en- 1- yl4- (2- chlorophenyl)- 5- cyano- 6- [(2- ethoxy- 2- oxoethyl)sulfanyl]- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)OCC

STK550747
Synonyms: 5- cyano- 6- ({2- [(2,4- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (4- ethoxyphenyl)- 2- methyl- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCOc1ccc(cc1)C1C(=C(SCC(=O)Nc2ccc(cc2C)C)NC(=C1C(=O)Nc1ccccc1)C)C#N

STK550752
Synonyms: 3,3'- {sulfonylbis[(2- chlorobenzene- 4,1- diyl)oxy]}bis[1- (dimethylamino)propan- 2- ol]
Smiles: CN(CC(COc1ccc(cc1Cl)S(=O)(=O)c1ccc(c(c1)Cl)OCC(CN(C)C)O)O)C

STK550755
Synonyms: (5Z)- 2- [(2,3- dichlorophenyl)amino]- 5- (2- methoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1ccccc1/C=C/1\SC(=NC1=O)Nc1cccc(c1Cl)Cl

STK550759
Synonyms: N~4~- benzyl- 5- nitro- N~2~- (prop- 2- en- 1- yl)pyrimidine- 2,4,6- triamine
Smiles: C=CCNc1nc(NCc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK550765
Synonyms: 3- ethyl- 2- [(4- methylbenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCn1c(SCc2ccc(cc2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK844159
Synonyms: (2Z)- 2- [4- (2,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 3- [(2,4- difluorophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1F)F)/c1scc(n1)c1ccc(cc1Cl)Cl

STK550771
Synonyms: (2- chloro- 5- nitrophenyl)[1- (3,4- diethoxybenzyl)- 6,7- diethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl]methanone
Smiles: CCOc1cc(ccc1OCC)CC1c2cc(OCC)c(cc2CCN1C(=O)c1cc(ccc1Cl)[N+](=O)[O-])OCC

STK844160
Synonyms: (5Z)- 2- [(2,3- dimethylphenyl)amino]- 5- (4- hydroxy- 3- methoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1cccc(c1C)C

STK550774
Synonyms: prop- 2- en- 1- yl5- cyano- 4- (furan- 2- yl)- 2- methyl- 6- ({2- [(4- nitrophenyl)amino]- 2- oxoethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK550775
Synonyms: N~4~- (4- chlorophenyl)- N~2~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Clc1ccc(cc1)Nc1nc(Nc2cccc(c2)C)nc(c1[N+](=O)[O-])N

STK844161
Synonyms: 2- {[3- cyano- 4- (4- methoxyphenyl)- 7,7- dimethyl- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)C1C(=C(SCC(=O)N)NC2=C1C(=O)CC(C2)(C)C)C#N

STK550776
Synonyms: 3- {[3- chloro- 2,5- difluoro- 6- (morpholin- 4- yl)pyridin- 4- yl]oxy}phenol
Smiles: Oc1cccc(c1)Oc1c(F)c(nc(c1Cl)F)N1CCOCC1

STK844164
Synonyms: N- (4- methylphenyl)- 2- (pyridin- 4- yl)quinazolin- 4- amine
Smiles: Cc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccncc1

STK550778
Synonyms: (2Z)- [2- (4- ethoxyphenyl)hydrazinylidene][4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]ethanenitrile
Smiles: CCOc1ccc(cc1)N/N=C(\c1scc(n1)c1cccc(c1)[N+](=O)[O-])/C#N

STK550779
Synonyms: 6- ethyl- 4- (ethylsulfanyl)- 6- methyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCSc1nc(SC)nc2c1c1CC(C)(CC)OCc1s2

STK550782
Synonyms: ethyl3- [({4- hydroxy- 4- [3- (trifluoromethyl)phenyl]piperidin- 1- yl}acetyl)amino]- 5,6- dimethoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCC(CC1)(O)c1cccc(c1)C(F)(F)F)cc(c(c2)OC)OC

STK550785
Synonyms: 3- (2- methylpropyl)- 2- (propylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCC3

STK550788
Synonyms: (2E)- 2- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]- 3- [2- (trifluoromethyl)phenyl]prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccccc1C(F)(F)F)/c1scc(n1)c1cccc(c1)OC

STK550790
Synonyms: 2- [4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]- 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)c1cc(Cl)ccc1C)c([nH]2)C

STK550791
Synonyms: 2- amino- 3- (piperidin- 1- yl)naphthalene- 1,4- dione
Smiles: NC1=C(N2CCCCC2)C(=O)c2c(C1=O)cccc2

STK550793
Synonyms: 2- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- oxoethyl(diphenylphosphoryl)acetate
Smiles: O=C(CP(=O)(c1ccccc1)c1ccccc1)OCC(=O)c1ccc2c(c1)OCCO2

STK844167
Synonyms: (5Z)- 3- [4- (diethylamino)phenyl]- 5- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCN(c1ccc(cc1)N1C(=S)S/C(=C\C(=C\c2ccccc2)\C)/C1=O)CC

STK844168
Synonyms: 1- phenyl- 4- [1- (prop- 2- en- 1- yl)- 1H- benzimidazol- 2- yl]pyrrolidin- 2- one
Smiles: C=CCn1c(nc2c1cccc2)C1CC(=O)N(C1)c1ccccc1

STK801749
Synonyms: N- [1- (furan- 2- yl)- 3- methylbut- 3- en- 1- yl]- 4- methoxyaniline
Smiles: COc1ccc(cc1)NC(c1ccco1)CC(=C)C

STK550798
Synonyms: 1- amino- N- benzyl- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1)NCc1ccccc1

STK550799
Synonyms: 1- (2- chloro- 10H- phenothiazin- 10- yl)- 3- (4- methylpiperazin- 1- yl)propan- 1- one
Smiles: CN1CCN(CC1)CCC(=O)N1c2ccccc2Sc2c1cc(Cl)cc2

STK844170
Synonyms: (5Z)- 2- [(4- chlorophenyl)amino]- 5- (3- ethoxy- 4- hydroxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1ccc(cc1)Cl

STK844171
Synonyms: 4- [(morpholin- 4- ylcarbonyl)amino]phenylmorpholine- 4- carboxylate
Smiles: O=C(N1CCOCC1)Nc1ccc(cc1)OC(=O)N1CCOCC1

STK844172
Synonyms: N~2~- (furan- 2- ylmethyl)- N~4~- (4- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(cc1)Nc1nc(NCc2ccco2)nc(c1[N+](=O)[O-])N

STK550815
Synonyms: benzyl4- (4- chlorophenyl)- 5- cyano- 2- methyl- 6- [(2- oxo- 2- {[3- (trifluoromethyl)phenyl]amino}ethyl)sulfanyl]- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C(F)(F)F)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C

STK550816
Synonyms: N- (4- methoxyphenyl)- 5- nitro- 2- (piperidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: COc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1

STK550820
Synonyms: 4- {3- [3- (furan- 2- yl)- 1H- pyrazol- 5- yl]- 5- sulfanyl- 4H- 1,2,4- triazol- 4- yl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)n1c(S)nnc1c1[nH]nc(c1)c1ccco1

STK550821
Synonyms: N~2~- (2,5- dimethoxyphenyl)- N~4~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(c(c1)Nc1nc(N)c(c(n1)Nc1cccc(c1)C)[N+](=O)[O-])OC

STK844173
Synonyms: N~2~- (2,5- dimethoxyphenyl)- N~4~- (2- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(c(c1)Nc1nc(N)c(c(n1)Nc1ccccc1F)[N+](=O)[O-])OC

STK844174
Synonyms: 2- (azepan- 1- yl)- N- (4- methylphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Cc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCCC1

STK550835
Synonyms: ethyl2- {[(Z)- 2- cyano- 2- (4- phenyl- 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)c2ccccc2)/C#N)sc2c1CCCC2

STK550838
Synonyms: 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)c1cccc(c1)C(F)(F)F)c([nH]2)C

STK550840
Synonyms: 2- (azepan- 1- yl)- N- (3- methylphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Cc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCCC1

STK550842
Synonyms: N- [(2- {[(1S,2S)- 2- phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]thiophene- 2- carboxamide
Smiles: S=C(NC(=O)c1cccs1)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK550843
Synonyms: 4- [4- (2- fluorophenyl)piperazin- 1- yl]- 7,8- dimethoxy- 5H- pyrimido[5,4- b]indole
Smiles: COc1cc2c(cc1OC)[nH]c1c2ncnc1N1CCN(CC1)c1ccccc1F

STK844175
Synonyms: 4- ({(Z)- 2- cyano- 2- [4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzamide
Smiles: N#C/C(=C/Nc1ccc(cc1)C(=O)N)/c1scc(n1)c1ccc2c(c1)cccc2

STK844176
Synonyms: (5Z)- 3- (3- hydroxyphenyl)- 5- (thiophen- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Oc1cccc(c1)N1C(=S)S/C(=C\c2cccs2)/C1=O

STK550849
Synonyms: 4- chloro- N- [3- (4- ethylpiperazin- 1- yl)quinoxalin- 2- yl]benzenesulfonamide
Smiles: CCN1CCN(CC1)c1nc2ccccc2nc1NS(=O)(=O)c1ccc(cc1)Cl

STK550853
Synonyms: N- cyclopentyl- 2- (2- fluorophenyl)quinazolin- 4- amine
Smiles: Fc1ccccc1c1nc(NC2CCCC2)c2c(n1)cccc2

STK550857
Synonyms: (2Z)- 2- {1- [(4- methoxyphenyl)amino]ethylidene}- 1- benzothiophen- 3(2H)- one
Smiles: COc1ccc(cc1)N/C(=C/1\Sc2c(C1=O)cccc2)/C

STK550858
Synonyms: ethyl3- ({3- [4- (ethoxycarbonyl)piperidin- 1- yl]propanoyl}amino)- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CCC(=O)Nc1c([nH]c2c1cc(OC)cc2)C(=O)OCC

STK844181
Synonyms: 4- {(Z)- 2- cyano- 2- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]ethenyl}phenylacetate
Smiles: N#C/C(=C/c1ccc(cc1)OC(=O)C)/c1scc(n1)c1cccc(c1)OC

STK550862
Synonyms: 5- bromo- N'- [(E)- 1H- indol- 3- ylmethylidene]- 3- phenyl- 1H- indole- 2- carbohydrazide
Smiles: Brc1ccc2c(c1)c(c1ccccc1)c([nH]2)C(=O)N/N=C/c1c[nH]c2c1cccc2

STK844183
Synonyms: 11- methyl- 1,2,3,4,4a,12a- hexahydrodibenzo[d,g][1,6,3]oxathiazocin- 6(7H)- one
Smiles: O=C1OC2CCCCC2Sc2c(N1)cccc2C

STK550863
Synonyms: 3- [(8- bromo- 5H- pyrimido[5,4- b]indol- 4- yl)amino]propan- 1- ol
Smiles: OCCCNc1ncnc2c1[nH]c1c2cc(cc1)Br

STK550868
Synonyms: N- ({2- [(2,4- dihydroxyphenyl)carbonyl]hydrazinyl}carbonothioyl)- 5- methyl- 3- phenyl- 1,2- oxazole- 4- carboxamide
Smiles: S=C(NC(=O)c1c(C)onc1c1ccccc1)NNC(=O)c1ccc(cc1O)O

STK844185
Synonyms: (2Z)- 2- [4- (2,4- dimethylphenyl)- 1,3- thiazol- 2- yl]- 3- (3,4,5- trimethoxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C/c1cc(OC)c(c(c1)OC)OC)/c1scc(n1)c1ccc(cc1C)C

STK550873
Synonyms: 2- chloro- 7- methyl- 3- [1- (methylsulfonyl)- 3- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazol- 5- yl]quinoline
Smiles: Cc1ccc2c(c1)nc(c(c2)C1CC(=NN1S(=O)(=O)C)c1cccs1)Cl

STK550880
Synonyms: 1- (1- methoxycyclohexyl)- 3- phenylpropane- 1,3- dione
Smiles: COC1(CCCCC1)C(=O)CC(=O)c1ccccc1

STK550882
Synonyms: (3aR,4S,8aS,8bS)- 2- (4- chlorophenyl)- 4- (phenylcarbonyl)hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1N([C@@H]2C(=O)c2ccccc2)CCC1

STK550884
Synonyms: 2- (3,4- dimethoxyphenyl)- 7- ethoxy- 6- methoxy- 4- (morpholin- 4- yl)quinazoline
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CCOCC1)c1ccc(c(c1)OC)OC

STK550896
Synonyms: 2- [(2- ethyl- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- yl)sulfanyl]acetamide
Smiles: CCc1nc(SCC(=O)N)c2c(n1)sc1c2CCC1

STK844187
Synonyms: (2Z)- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl][2- (4- chlorophenyl)hydrazinylidene]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)Cl)/c1scc(n1)c1ccc2c(c1)OCO2

STK550906
Synonyms: ethyl1- (8- chloro- 5H- pyrimido[5,4- b]indol- 4- yl)piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)Cl

STK550908
Synonyms: (5Z)- 2- [(3,4- dimethylphenyl)amino]- 5- (3- ethoxy- 4- hydroxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1ccc(c(c1)C)C

STK550911
Synonyms: ethyl2- {[(Z)- 2- cyano- 2- {4- [4- (2- methylpropyl)phenyl]- 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)CC(C)C)/C#N)sc2c1CCCC2

STK550912
Synonyms: N- [(5Z)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- nitrobenzamide
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK844189
Synonyms: benzyl5- cyano- 6- {[2- (cyclohexylamino)- 2- oxoethyl]sulfanyl}- 4- (furan- 2- yl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: N#CC1=C(SCC(=O)NC2CCCCC2)NC(=C(C1c1ccco1)C(=O)OCc1ccccc1)C

STK844190
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 8- methyl- 4- oxo- 4H- chromen- 7- yl4- chlorobenzoate
Smiles: Clc1ccc(cc1)C(=O)Oc1ccc2c(c1C)occ(c2=O)c1nc2c(s1)cccc2

STK550913
Synonyms: 2- methoxy- 6- {4- [(4- methylphenyl)amino]quinazolin- 2- yl}phenol
Smiles: COc1cccc(c1O)c1nc(Nc2ccc(cc2)C)c2c(n1)cccc2

STK550914
Synonyms: 3- {(E)- [2- ({[3- (ethoxycarbonyl)- 1,2- dimethyl- 1H- indol- 5- yl]oxy}acetyl)hydrazinylidene]methyl}- 1H- indole- 7- carboxylicacid
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OCC(=O)N/N=C/c1c[nH]c3c1cccc3C(=O)O)cc2)C

STK550916
Synonyms: 4- fluoro- N'- [(3Z)- 2- oxo- 1- {[(1R,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 1,2- dihydro- 3H- indol- 3- ylidene]benzohydrazide
Smiles: Fc1ccc(cc1)C(=O)N/N=C\1/c2ccccc2N(C1=O)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STK844191
Synonyms: (5Z)- 3- [4- (diethylamino)phenyl]- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 4- one
Smiles: CCN(c1ccc(cc1)N1C(=S)S/C(=C\c2cc(OC)c(c(c2)OC)OC)/C1=O)CC

STK550918
Synonyms: 4- [(2- methyl- 5- phenyl- 1H- pyrrol- 1- yl)methyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)Cn1c(C)ccc1c1ccccc1

STK844192
Synonyms: 1- (methylsulfonyl)- 5- phenyl- 3- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazole
Smiles: CS(=O)(=O)N1N=C(CC1c1ccccc1)c1cccs1

STK550923
Synonyms: 5- [(2,6- dimethylmorpholin- 4- yl)carbonyl]- 4,6- dimethyl- 2H- pyran- 2- one
Smiles: CC1OC(C)CN(C1)C(=O)c1c(C)cc(=O)oc1C

STK550928
Synonyms: 2- [(E)- (2,3- dihydro- 1,4- benzodioxin- 6- ylimino)methyl]- 6- nitrophenol
Smiles: [O-][N+](=O)c1cccc(c1O)/C=N/c1ccc2c(c1)OCCO2

STK844198
Synonyms: N'- [(E)- (3- hydroxyphenyl)methylidene]thiophene- 2- carbohydrazide
Smiles: Oc1cccc(c1)/C=N/NC(=O)c1cccs1

STK844200
Synonyms: N- {(5Z)- 5- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}- 3- nitrobenzamide
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK844201
Synonyms: 3- [4- (3,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 8- nitro- 2H- chromen- 2- one
Smiles: O=c1oc2c(cc1c1scc(n1)c1ccc(c(c1)Cl)Cl)cccc2[N+](=O)[O-]

STK550930
Synonyms: 5- chloro- N'- [(E)- (4- hydroxyphenyl)methylidene]- 3- phenyl- 1H- indole- 2- carbohydrazide
Smiles: Oc1ccc(cc1)/C=N/NC(=O)c1[nH]c2c(c1c1ccccc1)cc(cc2)Cl

STK844202
Synonyms: methyl4- {(Z)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}benzoate
Smiles: N#C/C(=C/c1ccc(cc1)C(=O)OC)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK550937
Synonyms: 2- [(7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl)sulfanyl]- N- [4- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(F)(F)F)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK844203
Synonyms: ethyl5- cyano- 4- (furan- 2- yl)- 6- ({2- [(4- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- phenyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: CCOC(=O)C1=C(NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(cc1)C)c1ccccc1

STK550942
Synonyms: (9E)- 9- (4- methoxybenzylidene)- 3,5- bis(4- methoxyphenyl)- 7- methyl- 6,7,8,9- tetrahydro- 5H- pyrido[4,3- d][1,3]thiazolo[3,2- a]pyrimidine
Smiles: COc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)OC)/C(=C/c1ccc(cc1)OC)/CN(C2)C

STK550943
Synonyms: 3- bromo- N- (5- methyl- 1,2- oxazol- 3- yl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: Cc1onc(c1)NC(=O)c1coc(=O)c(c1)Br

STK550944
Synonyms: ethyl3- (1,3- benzothiazol- 2- yl)- 4- oxo- 7- (propanoyloxy)- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)CC

STK550950
Synonyms: 4- (2,4- difluorophenyl)- 2- methylcyclohex- 2- en- 1- one
Smiles: Fc1ccc(c(c1)F)C1CCC(=O)C(=C1)C

STK550951
Synonyms: N~4~- (4- chlorophenyl)- 5- nitro- N~2~- (prop- 2- en- 1- yl)pyrimidine- 2,4,6- triamine
Smiles: C=CCNc1nc(Nc2ccc(cc2)Cl)c(c(n1)N)[N+](=O)[O-]

STK550952
Synonyms: 5- oxo- 5- [3- phenyl- 5- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]pentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1cccs1)c1ccccc1

STK550955
Synonyms: 2- [4- (4- fluorophenyl)piperazin- 1- yl]- 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)c1ccc(cc1)F)c([nH]2)C

STK550956
Synonyms: 2- [(5Z)- 5- (2- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- phenylpropanoicacid
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)C(C(=O)O)Cc1ccccc1

STK844207
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- (ethoxycarbonyl)- 4- oxo- 4H- chromen- 7- ylmorpholine- 4- carboxylate
Smiles: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)N1CCOCC1

STK844208
Synonyms: 3- (1- benzofuran- 2- yl)- 1- ethoxyquinoxalin- 2(1H)- one4- oxide
Smiles: CCOn1c(=O)c(c2cc3c(o2)cccc3)[n+](c2c1cccc2)[O-]

STK550963
Synonyms: 4- 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)c1ccc(cc1)Br

STK844209
Synonyms: benzyl5- cyano- 6- [(2- ethoxy- 2- oxoethyl)sulfanyl]- 4- (furan- 2- yl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: CCOC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OCc1ccccc1)c1ccco1

STK550974
Synonyms: tert- butyl(8R,8aS,11aR)- 10- (3- fluorophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 8- carboxylate
Smiles: Fc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=N1)C(=O)OC(C)(C)C

STK550982
Synonyms: 2- imino- 1- (4- methoxybenzyl)- 3- [(4- methylphenyl)sulfonyl]- 1,2- dihydro- 5H- dipyrido[1,2- a:2',3'- d]pyrimidin- 5- one
Smiles: COc1ccc(cc1)Cn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccc(cc1)C

STK550992
Synonyms: 4- {(Z)- 2- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}phenylacetate
Smiles: N#C/C(=C/c1ccc(cc1)OC(=O)C)/c1scc(n1)c1ccc(cc1)Br

STK844211
Synonyms: 2- [3- (4,4- dimethyl- 2,5- dioxoimidazolidin- 1- yl)- 2- hydroxypropyl]- 1H- isoindole- 1,3(2H)- dione
Smiles: OC(CN1C(=O)c2c(C1=O)cccc2)CN1C(=O)NC(C1=O)(C)C

STK844213
Synonyms: (2E)- 3- [(4- bromo- 2- fluorophenyl)amino]- 2- {4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- yl}prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1F)Br)/c1scc(n1)c1ccc(cc1)CC(C)C

STK551003
Synonyms: 2- (methylsulfanyl)- 4- [(naphthalen- 2- ylmethyl)sulfanyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine
Smiles: CSc1nc(SCc2ccc3c(c2)cccc3)c2c(n1)sc1c2CCCC1

STK844214
Synonyms: ethyl3- (1,3- benzothiazol- 2- yl)- 7- [(2,2- dimethylpropanoyl)oxy]- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)C(C)(C)C

STK551007
Synonyms: (2Z)- 3- [(3,4- difluorophenyl)amino]- 2- (4- phenyl- 1,3- thiazol- 2- yl)prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(c(c1)F)F)/c1scc(n1)c1ccccc1

STK551008
Synonyms: (2E)- [2- (4- fluorophenyl)hydrazinylidene][4- (naphthalen- 1- yl)- 1,3- thiazol- 2- yl]ethanenitrile
Smiles: N#C/C(=N\Nc1ccc(cc1)F)/c1scc(n1)c1cccc2c1cccc2

STK551010
Synonyms: (5Z)- 2- [(2- chlorophenyl)amino]- 5- (3- fluorobenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Fc1cccc(c1)/C=C/1\SC(=NC1=O)Nc1ccccc1Cl

STK551011
Synonyms: 7,8- dimethoxy- 3- [2- (piperidin- 1- yl)ethyl]- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1cc2c(cc1OC)[nH]c1c2ncn(c1=O)CCN1CCCCC1

STK551016
Synonyms: [(5Z)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl](phenyl)aceticacid
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)C(=O)O

STK551017
Synonyms: 2- {4- [(2- hydroxyethyl)(methyl)amino]quinazolin- 2- yl}- 6- methoxyphenol
Smiles: OCCN(c1nc(nc2c1cccc2)c1cccc(c1O)OC)C

STK551018
Synonyms: (2Z)- [2- (4- bromophenyl)hydrazinylidene][4- (4- fluorophenyl)- 1,3- thiazol- 2- yl]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)Br)/c1scc(n1)c1ccc(cc1)F

STK551020
Synonyms: 1- chloro- 8- (diethylcarbamoyl)- 2- [(2- nitrophenyl)sulfanyl]- 2,3,3a,4,5,9b- hexahydro- 1H- cyclopenta[c]quinoline- 4- carboxylicacid
Smiles: CCN(C(=O)c1ccc2c(c1)C1C(Cl)C(CC1C(N2)C(=O)O)Sc1ccccc1[N+](=O)[O-])CC

STK844217
Synonyms: N- [5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)- 2- (morpholin- 4- yl)phenyl]methanesulfonamide
Smiles: Cn1nc(c2ccc(c(c2)NS(=O)(=O)C)N2CCOCC2)c2c(c1=O)cccc2

STK551023
Synonyms: (2Z)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- [(2,6- dimethylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1c(C)cccc1C)/c1scc(n1)c1ccc2c(c1)OCO2

STK551025
Synonyms: 2- ethyl- 5- [(2- hydroxy- 5- nitrophenyl)amino]- 5- oxopentanoicacid
Smiles: CCC(C(=O)O)CCC(=O)Nc1cc(ccc1O)[N+](=O)[O-]

STK844218
Synonyms: N- (4- methylphenyl)- 5- nitro- 2- (piperidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: Cc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1

STK844219
Synonyms: 1- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 3- (2- nitrophenoxy)propan- 2- ol
Smiles: OC(Cn1nc(cc1C)C)COc1ccccc1[N+](=O)[O-]

STK551029
Synonyms: 7- [(2- chloro- 6- fluorobenzyl)oxy]- 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 6- ethyl- 2- methyl- 4H- chromen- 4- one
Smiles: CCc1cc2c(cc1OCc1c(F)cccc1Cl)oc(c(c2=O)c1ccc2c(c1)OCCO2)C

STK551031
Synonyms: 2- fluoro- N- [1- (furan- 2- yl)- 3- methylbut- 3- en- 1- yl]aniline
Smiles: CC(=C)CC(c1ccco1)Nc1ccccc1F

STK551033
Synonyms: 2- methoxyethyl6- ({2- [(4- bromophenyl)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(cc1)Br

STK551035
Synonyms: (2Z)- 3- [(3,4- difluorophenyl)amino]- 2- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(c(c1)F)F)/c1scc(n1)c1ccc(cc1)OC

STK551036
Synonyms: 4- (2- methylphenyl)- 5- [(1R,2R)- 2- phenylcyclopropyl]- 4H- 1,2,4- triazole- 3- thiol
Smiles: Cc1ccccc1n1c(S)nnc1[C@@H]1C[C@H]1c1ccccc1

STK844221
Synonyms: 2,2'- {[2- (benzylamino)- 6- methylpyrimidin- 4- yl]imino}diethanol
Smiles: OCCN(c1nc(NCc2ccccc2)nc(c1)C)CCO

STK551042
Synonyms: 3- (4- bromophenyl)- 7- hydroxy- 2- methyl- 8- [(2- methylpiperidin- 1- yl)methyl]- 4H- chromen- 4- one
Smiles: Brc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2CN1CCCCC1C)O

STK551044
Synonyms: ethyl1- {3- [cyano(4- methoxyphenyl)methyl]quinoxalin- 2- yl}piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(c1ccc(cc1)OC)C#N

STK551045
Synonyms: 3- [(1- amino- 9,10- dioxo- 9,10- dihydroanthracen- 2- yl)sulfanyl]propanoicacid
Smiles: OC(=O)CCSc1ccc2c(c1N)C(=O)c1c(C2=O)cccc1

STK551047
Synonyms: (2Z)- 3- [(2- fluoro- 5- nitrophenyl)amino]- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(ccc1F)[N+](=O)[O-])/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK551048
Synonyms: N~2~- benzyl- N~2~- methyl- N~4~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N(Cc1ccccc1)C

STK844223
Synonyms: 2- {[5,6- di(furan- 2- yl)- 1,2,4- triazin- 3- yl]sulfanyl}- N- (2,6- dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(c(n1)c1ccco1)c1ccco1

STK551052
Synonyms: (2E)- 3- {[4- chloro- 2- (trifluoromethyl)phenyl]amino}- 2- (4- phenyl- 1,3- thiazol- 2- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C(F)(F)F)Cl)/c1scc(n1)c1ccccc1

STK844224
Synonyms: (5Z)- 3- (4- hydroxyphenyl)- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 4- one
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)c2ccc(cc2)O)cc(c1OC)OC

STK844225
Synonyms: N~4~- (4- fluorophenyl)- N~2~,N~2~- dimethyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Fc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N(C)C

STK551061
Synonyms: 5- cyano- 4- (4- ethoxyphenyl)- 2- methyl- 6- {[2- oxo- 2- (1,3- thiazol- 2- ylamino)ethyl]sulfanyl}- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCOc1ccc(cc1)C1C(=C(SCC(=O)Nc2nccs2)NC(=C1C(=O)Nc1ccccc1)C)C#N

STK551064
Synonyms: 2- ({4- amino- 6- [(4- methoxyphenyl)amino]- 5- nitropyrimidin- 2- yl}amino)ethanol
Smiles: OCCNc1nc(Nc2ccc(cc2)OC)c(c(n1)N)[N+](=O)[O-]

STK551068
Synonyms: (5Z)- 5- (2,3- dimethoxybenzylidene)- 3- (3- fluorophenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)F

STK551069
Synonyms: 7,7- dimethyl- 4- (methylsulfanyl)- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidine
Smiles: CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK551071
Synonyms: 4- [5- (2- chloro- 7- ethoxyquinolin- 3- yl)- 3- (3,4- dimethoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 4- oxobutanoicacid
Smiles: CCOc1ccc2c(c1)nc(c(c2)C1CC(=NN1C(=O)CCC(=O)O)c1ccc(c(c1)OC)OC)Cl

STK551076
Synonyms: 4- ({(E)- 2- [4- (3- bromophenyl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)- N- carbamimidoylbenzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)NC(=N)N)/c1scc(n1)c1cccc(c1)Br

STK844228
Synonyms: (2E)- 2- [4- (4- fluorophenyl)- 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(cc1)F

STK551086
Synonyms: methyl4- {[4- cyano- 6- (4- methoxyphenyl)pyrimidin- 2- yl]oxy}benzoate
Smiles: COc1ccc(cc1)c1nc(Oc2ccc(cc2)C(=O)OC)nc(c1)C#N

STK551088
Synonyms: 2- {4- [(furan- 2- ylmethyl)amino]quinazolin- 2- yl}- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc(NCc2ccco2)c2c(n1)cccc2

STK551089
Synonyms: 4- butyl- 7- (propan- 2- yloxy)- 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(C)C

STK551091
Synonyms: ethyl4- (4- chlorophenyl)- 5- cyano- 6- {[2- oxo- 2- (phenylamino)ethyl]sulfanyl}- 2- phenyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: CCOC(=O)C1=C(NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccccc1)c1ccccc1

STK551092
Synonyms: N- (4- chlorophenyl)- 2- (4- methylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CCN(CC1)c1nc(Nc2ccc(cc2)Cl)c(c(n1)N)[N+](=O)[O-]

STK551098
Synonyms: 4- (4- chloro- 3,5- dimethylphenoxy)- 2- (pyridin- 4- yl)quinazoline
Smiles: Clc1c(C)cc(cc1C)Oc1nc(nc2c1cccc2)c1ccncc1

STK551099
Synonyms: ethyl5,6- dimethoxy- 3- {[3- (pyrrolidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCC1)cc(c(c2)OC)OC

STK551100
Synonyms: 4- [4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: Clc1ccc(c(c1)N1CCN(CC1)c1ncnc2c1[nH]c1c2cccc1)C

STK844230
Synonyms: (2Z)- 2- [4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]- 3- (3,4,5- trimethoxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C/c1cc(OC)c(c(c1)OC)OC)/c1scc(n1)c1ccc2c(c1)cccc2

STK551102
Synonyms: 2- (4- benzylpiperazin- 1- yl)- N'- [(1E,2E)- 3- (2- methoxyphenyl)prop- 2- en- 1- ylidene]acetohydrazide
Smiles: COc1ccccc1/C=C/C=N/NC(=O)CN1CCN(CC1)Cc1ccccc1

STK551111
Synonyms: 2- [2- ({4- amino- 6- [(furan- 2- ylmethyl)amino]- 5- nitropyrimidin- 2- yl}amino)ethoxy]ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)NCc1ccco1)[N+](=O)[O-]

STK551112
Synonyms: 3- bromo- N- [4- (furan- 2- yl)butan- 2- yl]- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: CC(NC(=O)c1coc(=O)c(c1)Br)CCc1ccco1

STK551113
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)cyclohexylacetate
Smiles: CC(=O)OC1CCCCC1n1nc(cc1C)C

STK844234
Synonyms: N- [(5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2- nitrobenzamide
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1[N+](=O)[O-]

STK551116
Synonyms: 4- {(Z)- 2- [4- (4- chlorophenyl)- 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)Cl

STK551117
Synonyms: 3- amino- 4,6- dimethyl- N,N- diphenyl- 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)N(c1ccccc1)c1ccccc1

STK551120
Synonyms: 2- (3,4- dihydroisoquinolin- 2(1H)- yl)- 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCc3c(C1)cccc3)c([nH]2)C

STK551123
Synonyms: 3- [(E)- 2- (5- nitrofuran- 2- yl)ethenyl]- 1,3- oxazolidin- 2- one
Smiles: O=C1OCCN1/C=C/c1ccc(o1)[N+](=O)[O-]

STK551125
Synonyms: 2- (4- chlorophenyl)- N- {2- oxo- 2- [(2E)- 2- (1- phenylpropan- 2- ylidene)hydrazinyl]ethyl}acetamide(non- preferredname)
Smiles: O=C(N/N=C(/Cc1ccccc1)\C)CNC(=O)Cc1ccc(cc1)Cl

STK551127
Synonyms: 7- (ethylsulfanyl)- 4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCSc1ncnc2c1sc1c2c2CCCc2c(n1)C(C)C

STK551130
Synonyms: 4- [3,5- di(furan- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1ccco1)c1ccco1

STK844239
Synonyms: 4- ({(Z)- 2- cyano- 2- [4- (2,4- dichlorophenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzamide
Smiles: N#C/C(=C/Nc1ccc(cc1)C(=O)N)/c1scc(n1)c1ccc(cc1Cl)Cl

STK551137
Synonyms: (5Z)- 2- [(2- chlorophenyl)amino]- 5- (4- fluorobenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Fc1ccc(cc1)/C=C/1\SC(=NC1=O)Nc1ccccc1Cl

STK551138
Synonyms: N- carbamoyl- 4- ({(Z)- 2- cyano- 2- [4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C/Nc1ccc(cc1)S(=O)(=O)NC(=O)N)/c1scc(n1)c1ccc2c(c1)cccc2

STK844240
Synonyms: 1- (4- hydroxyphenyl)piperidine- 2,6- dione
Smiles: O=C1CCCC(=O)N1c1ccc(cc1)O

STK551139
Synonyms: N- (2- fluorophenyl)- 2- (4- methylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CCN(CC1)c1nc(Nc2ccccc2F)c(c(n1)N)[N+](=O)[O-]

STK551150
Synonyms: 4- {[(2E,5Z)- 5- (3,5- dichloro- 4- hydroxybenzylidene)- 3- ethyl- 4- oxo- 1,3- thiazolidin- 2- ylidene]amino}benzoicacid
Smiles: CCN1/C(=N\c2ccc(cc2)C(=O)O)/S/C(=C\c2cc(Cl)c(c(c2)Cl)O)/C1=O

STK551152
Synonyms: 2- {4- [(4- fluorophenyl)amino]quinazolin- 2- yl}- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Nc2ccc(cc2)F)c2c(n1)cccc2

STK844243
Synonyms: (2E,5Z)- 5- (2,3- dimethoxybenzylidene)- 2- [(4- hydroxyphenyl)imino]- 1,3- thiazolidin- 4- one
Smiles: COc1cccc(c1OC)/C=C/1\S/C(=N/c2ccc(cc2)O)/NC1=O

STK551156
Synonyms: N- [2- (4- methoxyphenyl)ethyl]- 8- methyl- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: COc1ccc(cc1)CCNc1ncnc2c1[nH]c1c2cc(cc1)C

STK844248
Synonyms: 2- [(2Z)- 2- [(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)imino]- 4- oxo- 3- (prop- 2- en- 1- yl)- 1,3- thiazolidin- 5- yl]- N- phenylacetamide
Smiles: C=CCN1/C(=N/c2c(=O)n(n(c2C)C)c2ccccc2)/SC(C1=O)CC(=O)Nc1ccccc1

STK844250
Synonyms: (5Z)- 2- [(2- chlorophenyl)amino]- 5- (2,4- dimethoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=NC1=O)Nc1ccccc1Cl

STK551163
Synonyms: 4- chloro- N- [1,1,1,3,3,3- hexafluoro- 2- ({5- [(4- nitrophenyl)sulfonyl]- 1,3- thiazol- 2- yl}amino)propan- 2- yl]benzamide
Smiles: Clc1ccc(cc1)C(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

STK844251
Synonyms: 9- bromo- 6- (propan- 2- yl)- 6H- indolo[2,3- b]quinoxaline
Smiles: Brc1ccc2c(c1)c1nc3ccccc3nc1n2C(C)C

STK551169
Synonyms: ethyl6- ({2- [(3- chloro- 4- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (furan- 2- yl)- 2- phenyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: CCOC(=O)C1=C(NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(c(c1)Cl)C)c1ccccc1

STK551172
Synonyms: 1,1'- (1R,2S)- cyclohexane- 1,2- diylbis(oxohydrazinol)
Smiles: O=NN([C@@H]1CCCC[C@@H]1N(N=O)O)O

STK551174
Synonyms: 2- [(cyclohexylamino)methyl]- 6- methoxyphenol
Smiles: COc1cccc(c1O)CNC1CCCCC1

STK551179
Synonyms: 2- [(5Z)- 5- (3- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoicacid
Smiles: CCC(N1C(=S)S/C(=C\c2cccc(c2)F)/C1=O)C(=O)O

STK551188
Synonyms: (5Z)- 3- (2- ethoxyphenyl)- 5- (thiophen- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccccc1N1C(=S)S/C(=C\c2cccs2)/C1=O

STK551192
Synonyms: ethyl3- {[2- (1,4- dioxa- 8- azaspiro[4.5]dec- 8- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCC3(CC1)OCCO3)C)cccc2

STK551194
Synonyms: 3- bromo- N- (furan- 2- ylmethyl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)NCc1ccco1

STK844257
Synonyms: ethyl2- ({(Z)- 2- cyano- 2- [4- (2,4- dichlorophenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzoate
Smiles: CCOC(=O)c1ccccc1N/C=C(\c1scc(n1)c1ccc(cc1Cl)Cl)/C#N

STK551195
Synonyms: 10- butyl- 7,8,9,11a- tetrahydro- 6bH- cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3- e]tetrazolo[1,5- c]pyrimidine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncn1c3nnn1

STK551198
Synonyms: 2- methoxyethyl6- ({2- [(3- chloro- 2- methylphenyl)amino]- 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)Nc1cccc(c1C)Cl

STK551199
Synonyms: 3,3'- [(5- phenyl- 1,3,4- thiadiazol- 2- yl)imino]dipropanenitrile
Smiles: N#CCCN(c1nnc(s1)c1ccccc1)CCC#N

STK844259
Synonyms: 3- hydroxy- N- [(5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)O

STK844260
Synonyms: N~4~- (4- methylphenyl)- 5- nitro- N~2~- (prop- 2- en- 1- yl)pyrimidine- 2,4,6- triamine
Smiles: C=CCNc1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-]

STK551209
Synonyms: 1- amino- N,N- diethyl- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: CCN(C(=O)c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1)CC

STK844262
Synonyms: 2- methyl- 5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)- N- (propan- 2- yl)benzenesulfonamide
Smiles: CC(NS(=O)(=O)c1cc(ccc1C)c1nn(C)c(=O)c2c1cccc2)C

STK844263
Synonyms: 3- (furan- 2- yl)- N- (4- methoxyphenyl)- 3- phenylpropanamide
Smiles: COc1ccc(cc1)NC(=O)CC(c1ccco1)c1ccccc1

STK551212
Synonyms: 4- [3- (6- methyl- 2- oxo- 4- phenyl- 1,2- dihydroquinolin- 3- yl)- 5- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1cccs1)c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)C

STK551213
Synonyms: 2- [3- (dipropylamino)- 2- hydroxypropoxy]- N- phenylbenzamide
Smiles: CCCN(CC(COc1ccccc1C(=O)Nc1ccccc1)O)CCC

STK551217
Synonyms: (5Z)- 5- (3- fluorobenzylidene)- 2- [(4- methylphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: Cc1ccc(cc1)NC1=NC(=O)/C(=C/c2cccc(c2)F)/S1

STK551223
Synonyms: 2- methoxyethyl4- (2- chlorophenyl)- 5- cyano- 2- methyl- 6- ({2- [(2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccccc1C

STK551224
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {4- methoxy- 3- [(3- methyl- 4- nitrophenoxy)methyl]phenyl}methylidene]- 5- (3- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])/C=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N

STK551226
Synonyms: 2- (2- fluorophenyl)- 4- [4- (propan- 2- yl)phenoxy]quinazoline
Smiles: Fc1ccccc1c1nc(Oc2ccc(cc2)C(C)C)c2c(n1)cccc2

STK844267
Synonyms: 4- {(Z)- 2- cyano- 2- [4- (4- fluorophenyl)- 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)F

STK551231
Synonyms: 4- ({(Z)- 2- cyano- 2- [4- (2,4- dimethylphenyl)- 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)c1ccc(cc1C)C

STK551232
Synonyms: (5Z)- 2- [(3,4- dimethylphenyl)amino]- 5- (3- fluorobenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Fc1cccc(c1)/C=C/1\SC(=NC1=O)Nc1ccc(c(c1)C)C

STK551233
Synonyms: ethyl6- bromo- 5- [(diphenylcarbamoyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OC(=O)N(c1ccccc1)c1ccccc1)c(c2)Br

STK551234
Synonyms: 2- [(4- amino- 6- propyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- 1- (4- fluorophenyl)ethanone
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCC(=O)c1ccc(cc1)F

STK551239
Synonyms: 2- (diethylamino)ethyl4- ({(Z)- 2- cyano- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzoate
Smiles: CCN(CCOC(=O)c1ccc(cc1)N/C=C(\c1scc(n1)c1ccc(c(c1)OC)OC)/C#N)CC

STK844271
Synonyms: N~2~,N~4~- bis(4- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(cc1)Nc1nc(N)c(c(n1)Nc1ccc(cc1)OC)[N+](=O)[O-]

STK551243
Synonyms: 3- 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)c1cccc(c1)Cl

STK844273
Synonyms: 1- (9H- carbazol- 9- yl)- 3- (propan- 2- yloxy)propan- 2- ol
Smiles: OC(Cn1c2ccccc2c2c1cccc2)COC(C)C

STK551245
Synonyms: [(5Z)- 4- oxo- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 3- yl](phenyl)aceticacid
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)C(c2ccccc2)C(=O)O)cc(c1OC)OC

STK844275
Synonyms: 3- (1H- benzimidazol- 2- yl)- 6- ethyl- 4- oxo- 4H- chromen- 7- ylmorpholine- 4- carboxylate
Smiles: CCc1cc2c(cc1OC(=O)N1CCOCC1)occ(c2=O)c1nc2c([nH]1)cccc2

STK844276
Synonyms: N~2~- benzyl- N~4~- (2- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1F)NCc1ccccc1

STK551247
Synonyms: (2E,5Z)- 2- [(2,4- dichlorophenyl)imino]- 5- (4- hydroxy- 3- methoxybenzylidene)- 1,3- thiazolidin- 4- one
Smiles: COc1cc(ccc1O)/C=C/1\S/C(=N/c2ccc(cc2Cl)Cl)/NC1=O

STK551249
Synonyms: 11- (furan- 2- yl)- 10- methyl- 8- phenyl- N- [3- (trifluoromethyl)phenyl]- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1nn(c2c1C(c1ccco1)n1c(=N2)c(Nc2cccc(c2)C(F)(F)F)nc2c1cccc2)c1ccccc1

STK551255
Synonyms: 6- methyl- 3- (pyridin- 4- yl)[1,3]thiazolo[2,3- c][1,2,4]triazole
Smiles: Cc1cn2c(s1)nnc2c1ccncc1

STK551259
Synonyms: N- {[2- (pyrazin- 2- ylcarbonyl)hydrazinyl]carbonothioyl}thiophene- 2- carboxamide
Smiles: S=C(NC(=O)c1cccs1)NNC(=O)c1cnccn1

STK844280
Synonyms: N- (4- methoxyphenyl)- 2- (3- methylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCC(C1)C

STK551262
Synonyms: 6- ({2- [(4- bromophenyl)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)Nc2ccc(cc2)Br)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1)C

STK551263
Synonyms: (5aS,9aR)- 2- phenyl- 1,2,3,4,5a,6,7,8,9,9a- decahydropyridazino[4,5- b]quinoxaline5,10- dioxide
Smiles: [O-][N+]1=C2CN(NCC2=[N+]([C@@H]2[C@H]1CCCC2)[O-])c1ccccc1

STK844281
Synonyms: ethyl2- ({(E)- 2- cyano- 2- [4- (2,4- dimethylphenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzoate
Smiles: CCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1ccc(cc1C)C)\C#N

STK551268
Synonyms: (2E)- 3- [(4- fluoro- 2- nitrophenyl)amino]- 2- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C/Nc1ccc(cc1[N+](=O)[O-])F)/C#N

STK844283
Synonyms: 2,4- dichloro- N- [(5Z)- 5- (2,4- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1Cl)Cl

STK844284
Synonyms: (2E)- 1- (5- chloro- 2- hydroxyphenyl)- 3- (3,4,5- trimethoxyphenyl)prop- 2- en- 1- one
Smiles: COc1cc(/C=C/C(=O)c2cc(Cl)ccc2O)cc(c1OC)OC

STK551275
Synonyms: 4- [(2,6- dichlorophenyl)amino]- 2,3,5,6- tetrafluorobenzonitrile
Smiles: N#Cc1c(F)c(F)c(c(c1F)F)Nc1c(Cl)cccc1Cl

STK551276
Synonyms: 4- {[4- (4- ethoxyphenyl)phthalazin- 1- yl]amino}- N- phenylbenzamide
Smiles: CCOc1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc(cc1)C(=O)Nc1ccccc1

STK551277
Synonyms: N'- [(2E)- butan- 2- ylidene]- 3- methyl- 7- nitro- 1H- indole- 2- carbohydrazide
Smiles: CC/C(=N/NC(=O)c1[nH]c2c(c1C)cccc2[N+](=O)[O-])/C

STK551281
Synonyms: 3- (4- fluorophenyl)- 2- benzofuran- 1(3H)- one
Smiles: Fc1ccc(cc1)C1OC(=O)c2c1cccc2

STK551285
Synonyms: ethyl3- bromo- 4- [(3- bromophenyl)amino]- 2- methyl- 5- oxo- 1- phenyl- 2,5- dihydro- 1H- pyrrole- 2- carboxylate
Smiles: CCOC(=O)C1(C)C(=C(C(=O)N1c1ccccc1)Nc1cccc(c1)Br)Br

STK844286
Synonyms: 2- {[6- methyl- 2- (methylsulfanyl)pyrimidin- 4- yl]sulfanyl}- 3- oxo- N- phenylbutanamide
Smiles: CSc1nc(cc(n1)C)SC(C(=O)Nc1ccccc1)C(=O)C

STK551288
Synonyms: 2- (4- benzylpiperidin- 1- yl)- N- (3- methylphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Cc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)Cc1ccccc1

STK551290
Synonyms: 4- chloro- N- {3- [(4- methoxybenzyl)amino]quinoxalin- 2- yl}benzenesulfonamide
Smiles: COc1ccc(cc1)CNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(cc1)Cl

STK551292
Synonyms: ethyl4- (4- methoxyphenyl)- 5- [(4- methylphenyl)carbonyl]- 4,5- dihydro- 1H- pyrazole- 3- carboxylate
Smiles: CCOC(=O)C1=NNC(C1c1ccc(cc1)OC)C(=O)c1ccc(cc1)C

STK551293
Synonyms: N- [3- (1H- benzimidazol- 1- yl)- 2- hydroxypropyl]- 4- methyl- N- (3- methylphenyl)benzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccc(cc1)C)c1cccc(c1)C)Cn1cnc2c1cccc2

STK551297
Synonyms: 4- (2,4- dichlorophenyl)- 6- methyl- 2- oxo- 1,2- dihydropyridine- 3- carbonitrile
Smiles: N#Cc1c(=O)[nH]c(cc1c1ccc(cc1Cl)Cl)C

STK551298
Synonyms: 2- amino- 1- cyclohexyl- N- (4- methoxybenzyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1c(N)n(c2c1nc1ccccc1n2)C1CCCCC1

STK844289
Synonyms: (5Z)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 3- (3- hydroxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)O

STK551299
Synonyms: 5- cyano- 4- (4- ethoxyphenyl)- 2- methyl- 6- {[2- (naphthalen- 1- ylamino)- 2- oxoethyl]sulfanyl}- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCOc1ccc(cc1)C1C(=C(SCC(=O)Nc2cccc3c2cccc3)NC(=C1C(=O)Nc1ccccc1)C)C#N

STK844291
Synonyms: 1- methyl- N- (tetrahydrofuran- 2- ylmethyl)[1,2,4]triazolo[4,3- a]quinoxalin- 4- amine
Smiles: Cc1nnc2n1c1ccccc1nc2NCC1CCCO1

STK551302
Synonyms: [(2Z)- 2- [(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)imino]- 4- oxo- 3- (prop- 2- en- 1- yl)- 1,3- thiazolidin- 5- yl]aceticacid
Smiles: C=CCN1/C(=N/c2c(C)n(n(c2=O)c2ccccc2)C)/SC(C1=O)CC(=O)O

STK551310
Synonyms: 2- (azepan- 1- yl)- N- (4- chlorophenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Clc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCCC1

STK551318
Synonyms: 4- (2,6- dimethylmorpholin- 4- yl)- 2- (pyridin- 4- yl)quinazoline
Smiles: CC1OC(C)CN(C1)c1nc(nc2c1cccc2)c1ccncc1

STK551320
Synonyms: 4- chloro- N- (3- {4- [(2E)- 3- phenylprop- 2- en- 1- yl]piperazin- 1- yl}quinoxalin- 2- yl)benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1N1CCN(CC1)C/C=C/c1ccccc1

STK551322
Synonyms: 5- [2- ({[3- (ethoxycarbonyl)- 2- methyl- 1- benzofuran- 5- yl]oxy}acetyl)hydrazinyl]- 5- oxopentanoicacid
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)NNC(=O)CCCC(=O)O)cc2

STK551325
Synonyms: N- (4- {[(3- cyano- 1- methyl- 1H- indol- 2- yl)methyl]amino}phenyl)acetamide
Smiles: N#Cc1c(CNc2ccc(cc2)NC(=O)C)n(c2c1cccc2)C

STK551329
Synonyms: N- [(5Z)- 5- (3- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- nitrobenzamide
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK844295
Synonyms: N'- [(E)- (3,4- dimethoxyphenyl)methylidene]- 1H- indole- 3- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2c[nH]c3c2cccc3)ccc1OC

STK551334
Synonyms: 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 6- ethyl- 2- methyl- 4- oxo- 4H- chromen- 7- yl2- chlorobenzoate
Smiles: CCc1cc2c(cc1OC(=O)c1ccccc1Cl)oc(c(c2=O)c1ccc2c(c1)OCCO2)C

STK551336
Synonyms: 6- chloro- N- phenylpyridazin- 3- amine
Smiles: Clc1ccc(nn1)Nc1ccccc1

STK551339
Synonyms: 5- [5- (4- methylphenyl)- 3- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1ccc(cc1)C)c1cccs1

STK551340
Synonyms: (5Z)- 2- [(4- 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)Nc1ccc(cc1)C

STK551345
Synonyms: prop- 2- en- 1- yl5- cyano- 6- ({2- [(3,4- dichlorophenyl)amino]- 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)Nc1ccc(c(c1)Cl)Cl

STK844298
Synonyms: (2Z)- 3- [(4- butylphenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: CCCCc1ccc(cc1)N/C=C(\c1scc(n1)c1cc2ccccc2oc1=O)/C#N

STK551352
Synonyms: 2- methoxyethyl4- (4- chlorophenyl)- 5- cyano- 6- ({2- [(3,4- dichlorophenyl)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(c(c1)Cl)Cl

STK551354
Synonyms: 2- {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- bromo- 6- ethoxyphenoxy}acetamide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2c2cccc(c2)[N+](=O)[O-])c2nonc2N)cc(c1OCC(=O)N)Br

STK551357
Synonyms: 2- (benzylsulfanyl)- 6- propyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCc1ccccc1

STK551359
Synonyms: N- cyclohexyl- 2- (2- fluorophenyl)quinazolin- 4- amine
Smiles: Fc1ccccc1c1nc(NC2CCCCC2)c2c(n1)cccc2

STK551366
Synonyms: N- (1,3- dioxo- 2,3- dihydro- 1H- isoindol- 5- yl)- 4,6- dimethyl- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)Nc1ccc2c(c1)C(=O)NC2=O

STK551368
Synonyms: N~2~- methyl- N~4~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CNc1nc(Nc2cccc(c2)C)c(c(n1)N)[N+](=O)[O-]

STK551370
Synonyms: N~2~- [3- (dimethylamino)propyl]- N~4~- (2- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CN(CCCNc1nc(Nc2ccccc2F)c(c(n1)N)[N+](=O)[O-])C

STK844301
Synonyms: N- [3- (9H- carbazol- 9- yl)- 2- hydroxypropyl]- N- phenylbenzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccccc1)c1ccccc1)Cn1c2ccccc2c2c1cccc2

STK551376
Synonyms: 4- imino- 6,6- dimethyl- N- phenyl- 5,8- dihydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 3(6H)- amine
Smiles: N=c1n(cnc2c1c1CC(C)(C)OCc1s2)Nc1ccccc1

STK551377
Synonyms: N- carbamoyl- 4- ({(E)- 2- cyano- 2- [4- (4- methylphenyl)- 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)C

STK551378
Synonyms: 3- chloro- N- [(5Z)- 5- (2,3- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)Cl

STK551380
Synonyms: (5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 1- (4- ethoxyphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2nc3c([nH]2)cccc3)/C1=O

STK844303
Synonyms: (2Z)- 3- [(2,4- difluorophenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1F)F)/c1scc(n1)c1cc2ccccc2oc1=O

STK844304
Synonyms: 4- ({(Z)- 2- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)benzamide
Smiles: N#C/C(=C/Nc1ccc(cc1)C(=O)N)/c1scc(n1)c1ccc(cc1)Br

STK551388
Synonyms: 2- cyano- N- hexyl- 2- [3- (4- phenylpiperazin- 1- yl)quinoxalin- 2- yl]acetamide
Smiles: CCCCCCNC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)c1ccccc1)C#N

STK551389
Synonyms: methyl5- bromo- 6- oxo- 1- (1,3- thiazol- 2- yl)- 1,6- dihydropyridine- 3- carboxylate
Smiles: COC(=O)c1cc(Br)c(=O)n(c1)c1nccs1

STK551393
Synonyms: 9'- (4- methylphenyl)- 8',9'- dihydro- 1'H- spiro[cyclohexane- 1,2'- pyrido[3',2':4,5]thieno[3,2- d]pyrimidine]- 4',7'(3'H,6'H)- dione
Smiles: O=C1Nc2sc3c(c2C(C1)c1ccc(cc1)C)NC1(NC3=O)CCCCC1

STK551395
Synonyms: (5Z)- 3- (3,5- dichlorophenyl)- 5- (4- hydroxy- 3- methoxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)c1cc(Cl)cc(c1)Cl

STK551396
Synonyms: [1- (3,4- diethoxybenzyl)- 6,7- diethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl][3- (morpholin- 4- ylsulfonyl)phenyl]methanone
Smiles: CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)C(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1

STK551398
Synonyms: (2Z)- [2- (4- bromophenyl)hydrazinylidene][4- (3- bromophenyl)- 1,3- thiazol- 2- yl]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)Br)/c1scc(n1)c1cccc(c1)Br

STK844307
Synonyms: 4- (ethylsulfanyl)- 6,6- dimethyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCSc1nc(SC)nc2c1c1CC(C)(C)OCc1s2

STK551407
Synonyms: 4- chloro- 2- (methylsulfanyl)- 6- (propan- 2- yl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CSc1nc(Cl)c2c(n1)sc1c2CC(OC1)C(C)C

STK551410
Synonyms: [3- amino- 4- (4- fluorophenyl)- 6- (4- methoxyphenyl)thieno[2,3- b]pyridin- 2- yl](4- bromophenyl)methanone
Smiles: COc1ccc(cc1)c1nc2sc(c(c2c(c1)c1ccc(cc1)F)N)C(=O)c1ccc(cc1)Br

STK551412
Synonyms: 4- (3,5- dimethylpiperidin- 1- yl)- 2- (pyridin- 4- yl)quinazoline
Smiles: CC1CC(C)CN(C1)c1nc(nc2c1cccc2)c1ccncc1

STK551413
Synonyms: 2- methoxyethyl4- (4- chlorophenyl)- 5- cyano- 2- methyl- 6- ({2- [(2- 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)Nc1ccccc1C

STK844309
Synonyms: 1- [4- (morpholin- 4- yl)- 3- nitrophenyl]- 4- (piperidin- 1- yl)phthalazine
Smiles: [O-][N+](=O)c1cc(ccc1N1CCOCC1)c1nnc(c2c1cccc2)N1CCCCC1

STK551418
Synonyms: methyl4- {[(2,2- dichloro- 1- phenylcyclopropyl)carbonyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)C1(CC1(Cl)Cl)c1ccccc1

STK844311
Synonyms: 4- bromo- 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)Br

STK551424
Synonyms: 2- [(5Z)- 4- oxo- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 3- yl]butanoicacid
Smiles: CCC(N1C(=S)S/C(=C\c2cc(OC)c(c(c2)OC)OC)/C1=O)C(=O)O

STK551426
Synonyms: methyl5- (3,5- dimethylphenyl)- 4,6- dioxo- 1- (3- oxobutyl)- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1cc(C)cc(c1)C)CCC(=O)C

STK551429
Synonyms: (5Z)- 2- [(2,3- dimethylphenyl)amino]- 5- (3- fluorobenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Fc1cccc(c1)/C=C/1\SC(=NC1=O)Nc1cccc(c1C)C

STK551430
Synonyms: 4- (4- benzylpiperazin- 1- yl)- 7,8- dimethoxy- 5H- pyrimido[5,4- b]indole
Smiles: COc1cc2c(cc1OC)[nH]c1c2ncnc1N1CCN(CC1)Cc1ccccc1

STK551431
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [4- (2,4- dinitrophenoxy)- 3- ethoxyphenyl]methylidene}- 5- (3- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2c2cccc(c2)[N+](=O)[O-])c2nonc2N)ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

STK551433
Synonyms: 3,3'- {[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]imino}dipropanoicacid(non- preferredname)
Smiles: OC(=O)CCN(c1nnc(s1)SCc1ccccc1)CCC(=O)O

STK551443
Synonyms: 2- (pyridin- 4- yl)- N- (tetrahydrofuran- 2- ylmethyl)quinazolin- 4- amine
Smiles: n1ccc(cc1)c1nc(NCC2CCCO2)c2c(n1)cccc2

STK844314
Synonyms: 3- (1,3- benzoxazol- 2- yl)- 2- oxo- 2H- chromen- 7- yl4- chlorobutanoate
Smiles: ClCCCC(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1nc2c(o1)cccc2

STK551446
Synonyms: 8- {[2- (methoxycarbonyl)phenoxy]carbonyl}- 3a,4,5,9b- tetrahydro- 3H- cyclopenta[c]quinoline- 4- carboxylicacid
Smiles: COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C=CCC1C(N2)C(=O)O

STK844316
Synonyms: 3,3'- (piperazine- 1,4- diyldimethanediyl)bis(5,5- dimethylimidazolidine- 2,4- dione)
Smiles: O=C1NC(C(=O)N1CN1CCN(CC1)CN1C(=O)NC(C1=O)(C)C)(C)C

STK844317
Synonyms: (2Z)- 2- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]- 3- (3,4,5- trimethoxyphenyl)prop- 2- enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C\c1cc(OC)c(c(c1)OC)OC)/C#N

STK844319
Synonyms: [5- (furan- 2- yl)- 3- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl](thiophen- 2- yl)methanone
Smiles: O=C(N1N=C(CC1c1ccco1)c1cccs1)c1cccs1

STK551458
Synonyms: 3- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 4- oxo- 6- propyl- 4H- chromen- 7- yldiphenylcarbamate
Smiles: CCCc1cc2c(cc1OC(=O)N(c1ccccc1)c1ccccc1)occ(c2=O)c1ccc2c(c1)OCCCO2

STK844320
Synonyms: (2E)- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]- 3- [2- (trifluoromethyl)phenyl]prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccccc1C(F)(F)F)/c1scc(n1)c1ccc(c(c1)OC)OC

STK551461
Synonyms: N'- (8- bromo- 5H- pyrimido[5,4- b]indol- 4- yl)- N,N- dimethylethane- 1,2- diamine
Smiles: CN(CCNc1ncnc2c1[nH]c1c2cc(cc1)Br)C

STK551462
Synonyms: 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- (4- methylpiperidin- 1- yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCC(CC1)C)c([nH]2)C

STK551467
Synonyms: N'- [(E)- (5- bromo- 2- hydroxyphenyl)methylidene]- 5- methoxy- 1,2- dimethyl- 1H- indole- 3- carbohydrazide
Smiles: COc1ccc2c(c1)c(C(=O)N/N=C/c1cc(Br)ccc1O)c(n2C)C

STK551468
Synonyms: 2- [(5Z)- 5- (3- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoicacid
Smiles: OC(=O)C(N1C(=S)S/C(=C\c2cccc(c2)F)/C1=O)C

STK551469
Synonyms: 5- cyano- N- (2- fluorophenyl)- 6- ({2- [(4- fluorophenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (furan- 2- yl)- 2- methyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1F)C

STK844322
Synonyms: ethyl4- (2- chlorophenyl)- 5- cyano- 6- {[2- (diethylamino)- 2- oxoethyl]sulfanyl}- 2- phenyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)N(CC)CC)c1ccccc1

STK551473
Synonyms: 2,4- dichloro- N- [(5Z)- 5- (2,5- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1ccc(cc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1Cl)Cl)OC

STK551475
Synonyms: ethyl2- amino- 4- (1- cyano- 2- ethoxy- 2- oxoethyl)- 4H- chromene- 3- carboxylate
Smiles: CCOC(=O)C(C1C(=C(N)Oc2c1cccc2)C(=O)OCC)C#N

STK551478
Synonyms: 3- {[1- (3,4- diethoxybenzyl)- 6,7- diethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl]carbonyl}- N,N- diethylbenzenesulfonamide
Smiles: CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)C(=O)c1cccc(c1)S(=O)(=O)N(CC)CC

STK551480
Synonyms: 4- hydroxy- N- [(5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)O

STK844324
Synonyms: 6- ethyl- 3- (1- methyl- 1H- benzimidazol- 2- yl)- 4- oxo- 4H- chromen- 7- yl2- chlorobenzoate
Smiles: CCc1cc2c(cc1OC(=O)c1ccccc1Cl)occ(c2=O)c1nc2c(n1C)cccc2

STK551482
Synonyms: N- [(5Z)- 5- (3- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- hydroxybenzamide
Smiles: Oc1ccc(cc1)C(=O)NN1C(=S)S/C(=C\c2cccc(c2)F)/C1=O

STK551483
Synonyms: dimethyl5- ({(Z)- 2- cyano- 2- [4- (naphthalen- 2- yl)- 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)c1ccc2c(c1)cccc2

STK844325
Synonyms: 2- chloro- 3- [3- (furan- 2- yl)- 1- (methylsulfonyl)- 4,5- dihydro- 1H- pyrazol- 5- yl]- 6- methoxyquinoline
Smiles: COc1ccc2c(c1)cc(c(n2)Cl)C1CC(=NN1S(=O)(=O)C)c1ccco1

STK844326
Synonyms: 3- (3- hydroxyphenyl)- 2- [(E)- 2- (3- methylphenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Cc1cccc(c1)/C=C/c1nc2ccccc2c(=O)n1c1cccc(c1)O

STK551490
Synonyms: 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 4- oxo- 6- propyl- 4H- chromen- 7- yldiphenylcarbamate
Smiles: CCCc1cc2c(cc1OC(=O)N(c1ccccc1)c1ccccc1)occ(c2=O)c1ccc2c(c1)OCCO2

STK551491
Synonyms: (5Z)- 2- [(2,3- dichlorophenyl)amino]- 5- (3- ethoxy- 4- hydroxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=NC1=O)Nc1cccc(c1Cl)Cl

STK844327
Synonyms: N- (4- bromophenyl)- 2- (6- oxo- 5,6- dihydro[1,3]thiazolo[3,2- b][1,2,4]triazol- 5- yl)acetamide
Smiles: O=C(CC1Sc2n(C1=O)ncn2)Nc1ccc(cc1)Br

STK844328
Synonyms: methyl4- ({[5- (4- methoxyphenyl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}methyl)benzoate
Smiles: COc1ccc(cc1)c1nnc(o1)SCc1ccc(cc1)C(=O)OC

STK844329
Synonyms: N- butyl- 2- methyl- 5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)benzenesulfonamide
Smiles: CCCCNS(=O)(=O)c1cc(ccc1C)c1nn(C)c(=O)c2c1cccc2

STK551499
Synonyms: (5Z)- 3- (4- methoxyphenyl)- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1ccc(cc1)N1C(=S)S/C(=C\c2ccc(cc2)OCC=C)/C1=O

STK551501
Synonyms: 3- methyl- 9- (3- methylphenyl)- 1- phenyl- 1H- pyrazolo[4',3':5,6]pyrido[2,3- d]pyrimidine- 5,7(6H,9H)- dione
Smiles: Cc1cccc(c1)n1c2c(cc3c1nc(=O)[nH]c3=O)c(nn2c1ccccc1)C

STK551512
Synonyms: 2- (1H- benzimidazol- 2- yl)- 8,8- dimethyl- 5- (morpholin- 4- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridin- 1- amine
Smiles: Nc1c(sc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1)c1nc2c([nH]1)cccc2

STK844331
Synonyms: 2- [(4- methoxyphenoxy)methyl]- 1- methyl- 1H- indole- 3- carbonitrile
Smiles: COc1ccc(cc1)OCc1c(C#N)c2c(n1C)cccc2

STK551513
Synonyms: 8- methoxy- N- (pyridin- 2- ylmethyl)- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)NCc1ccccn1

STK551521
Synonyms: 2- [4- (butan- 2- ylamino)quinazolin- 2- yl]- 6- methoxyphenol
Smiles: CCC(Nc1nc(nc2c1cccc2)c1cccc(c1O)OC)C

STK844333
Synonyms: N- [1- (furan- 2- yl)- 3- methylbut- 3- en- 1- yl]- 2- methylaniline
Smiles: CC(=C)CC(c1ccco1)Nc1ccccc1C

STK551526
Synonyms: 3- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 6- ethyl- 4- oxo- 4H- chromen- 7- yldiphenylcarbamate
Smiles: CCc1cc2c(cc1OC(=O)N(c1ccccc1)c1ccccc1)occ(c2=O)c1ccc2c(c1)OCCCO2

STK844336
Synonyms: (2Z)- 2- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]- 3- (3,4,5- trimethoxyphenyl)prop- 2- enenitrile
Smiles: COc1ccc(cc1)c1csc(n1)/C(=C\c1cc(OC)c(c(c1)OC)OC)/C#N

STK844337
Synonyms: 2- methoxyethyl6- amino- 5- cyano- 4- (furan- 2- yl)- 2- methyl- 4H- pyran- 3- carboxylate
Smiles: COCCOC(=O)C1=C(C)OC(=C(C1c1ccco1)C#N)N

STK844338
Synonyms: N- (2- fluorophenyl)- 2- (morpholin- 4- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1F)N1CCOCC1

STK551532
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 11- (furan- 2- yl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccc(cc1Cl)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccco2)c(nn1c1ccccc1)C

STK844339
Synonyms: 4- chloro- N- [5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)- 2- (morpholin- 4- yl)phenyl]benzamide
Smiles: Clc1ccc(cc1)C(=O)Nc1cc(ccc1N1CCOCC1)c1nn(C)c(=O)c2c1cccc2

STK551536
Synonyms: ethyl7- {[(4- carbamoylpiperidin- 1- yl)acetyl]amino}- 5H- [1,3]dioxolo[4,5- f]indole- 6- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCC(CC1)C(=O)N)cc1c(c2)OCO1

STK551538
Synonyms: (5Z)- 5- (3- fluorobenzylidene)- 3- (4- hydroxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Oc1ccc(cc1)N1C(=S)S/C(=C\c2cccc(c2)F)/C1=O

STK551540
Synonyms: 1- {(2Z)- 2- [3- chloro- 2- (4- methylphenyl)- 5- phenyl- 1- benzoxepin- 4(5H)- ylidene]ethyl}piperidine
Smiles: Cc1ccc(cc1)C1=C(Cl)/C(=C\CN2CCCCC2)/C(c2c(O1)cccc2)c1ccccc1

STK844344
Synonyms: (2Z)- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl][2- (4- ethylphenyl)hydrazinylidene]ethanenitrile
Smiles: CCc1ccc(cc1)N/N=C(\c1scc(n1)c1ccc(c(c1)OC)OC)/C#N

STK551547
Synonyms: 2,4- dichloro- 6- [5- (2,4- dichlorophenyl)- 4,5- dihydro- 1H- pyrazol- 3- yl]phenol
Smiles: Clc1ccc(c(c1)Cl)C1NN=C(C1)c1cc(Cl)cc(c1O)Cl

STK844345
Synonyms: 4- {(Z)- 2- cyano- 2- [4- (4- ethoxyphenyl)- 1,3- thiazol- 2- yl]ethenyl}phenylacetate
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C\c1ccc(cc1)OC(=O)C)/C#N

STK551554
Synonyms: 3- {[7- (dimethylamino)- 4- nitro- 2,1,3- benzoxadiazol- 5- yl]amino}phenol
Smiles: Oc1cccc(c1)Nc1cc(N(C)C)c2c(c1[N+](=O)[O-])non2

STK844346
Synonyms: N~4~- (4- methylphenyl)- 5- nitro- N~2~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N

STK551564
Synonyms: 2- amino- 9- (4- fluorophenyl)- 4- methyl- 7- oxo- 6,7,8,9- tetrahydrothieno[2,3- b:4,5- b']dipyridine- 3- carbonitrile
Smiles: N#Cc1c(N)nc2c(c1C)sc1c2C(CC(=O)N1)c1ccc(cc1)F

STK844349
Synonyms: ethyl3- (1,3- benzothiazol- 2- yl)- 8- methyl- 4- oxo- 7- [(thiophen- 2- ylcarbonyl)oxy]- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2c(C)c(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)c1cccs1

STK551568
Synonyms: 4- butyl- 7- hydrazinyl- 2,3,5a,10b- tetrahydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncnc3NN

STK844350
Synonyms: (2E)- 1- (5- fluoro- 2- hydroxyphenyl)- 3- (3,4,5- trimethoxyphenyl)prop- 2- en- 1- one
Smiles: COc1cc(/C=C/C(=O)c2cc(F)ccc2O)cc(c1OC)OC

STK551575
Synonyms: 2- methoxyethyl5- cyano- 4- (furan- 2- yl)- 2- methyl- 6- ({2- [(4- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(cc1)C

STK551577
Synonyms: 2,2- dimethyl- N- [(E)- thiophen- 2- ylmethylidene]tetrahydro- 2H- pyran- 4- amine
Smiles: CC1(C)OCCC(C1)/N=C/c1cccs1

STK551578
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (3,4- dimethoxyphenyl)methylidene]- 5- (phenoxymethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2COc2ccccc2)c2nonc2N)ccc1OC

STK844355
Synonyms: 1- (diphenylmethyl)- 4- [5- (trifluoromethyl)- 1,3,4- thiadiazol- 2- yl]piperazine
Smiles: FC(c1nnc(s1)N1CCN(CC1)C(c1ccccc1)c1ccccc1)(F)F

STK551583
Synonyms: 3- amino- N- (2- ethylphenyl)- 4- (2- methoxyphenyl)- 6- phenylthieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1ccccc1c1cc(nc2c1c(N)c(s2)C(=O)Nc1ccccc1CC)c1ccccc1

STK551589
Synonyms: 3- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 8- nitro- 2H- chromen- 2- one
Smiles: Brc1ccc(cc1)c1csc(n1)c1cc2cccc(c2oc1=O)[N+](=O)[O-]

STK551590
Synonyms: (5Z)- 2- [(3- chlorophenyl)amino]- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1cc(/C=C/2\SC(=NC2=O)Nc2cccc(c2)Cl)cc(c1OC)OC

STK551597
Synonyms: (2E)- 2- {4- [4- (2- methylpropyl)phenyl]- 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(cc1)CC(C)C

STK551599
Synonyms: (2Z)- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl][2- (4- chlorophenyl)hydrazinylidene]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)Cl)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK551603
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)cyclohexyl2- fluorobenzoate
Smiles: Cc1nn(c(c1)C)C1CCCCC1OC(=O)c1ccccc1F

STK844358
Synonyms: 2- [2- hydroxy- 3- (morpholin- 4- yl)propoxy]- N- phenylbenzamide
Smiles: OC(CN1CCOCC1)COc1ccccc1C(=O)Nc1ccccc1

STK551605
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- butyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)OC(COC)C

STK551611
Synonyms: (2Z)- 3- [(2- fluoro- 5- nitrophenyl)amino]- 2- [4- (4- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(ccc1F)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK844359
Synonyms: 4- (4- methylphenyl)- 6- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)- 3,4- dihydropyrimidine- 2(1H)- thione
Smiles: S=C1NC(=CC(N1)c1ccc(cc1)C)C12CC3CC(C2)CC(C1)C3

STK551613
Synonyms: 5- [5- (4- bromophenyl)- 3- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1ccc(cc1)Br)c1cccs1

STK844360
Synonyms: (5Z)- 3- (phenylamino)- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 4- one
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)Nc2ccccc2)cc(c1OC)OC

STK844361
Synonyms: N~4~- benzyl- N~2~- (furan- 2- ylmethyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NCc2ccccc2)nc(nc1N)NCc1ccco1

STK551619
Synonyms: N- (4- methylphenyl)- 2- {(2E)- 4- oxo- 2- [(2E)- (2- oxo- 1,3- thiazolidin- 4- ylidene)hydrazinylidene]- 1,3- thiazolidin- 5- yl}acetamide
Smiles: O=C(Nc1ccc(cc1)C)CC1S/C(=N/N=C/2\CSC(=O)N2)/NC1=O

STK551620
Synonyms: 4- acetyl- 1- (5- bromopyridin- 2- yl)- 5- (2- fluorophenyl)- 3- hydroxy- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Brc1ccc(nc1)N1C(=O)C(=C(C1c1ccccc1F)C(=O)C)O

STK551622
Synonyms: 2- methoxyethyl5- cyano- 6- ({2- [(3,4- dichlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (furan- 2- yl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(c(c1)Cl)Cl

STK844362
Synonyms: 3- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]- 8- nitro- 2H- chromen- 2- one
Smiles: COc1cc(ccc1OC)c1csc(n1)c1cc2cccc(c2oc1=O)[N+](=O)[O-]

STK551634
Synonyms: ethyl3- (1,3- benzothiazol- 2- yl)- 7- {[(3- methoxyphenyl)carbonyl]oxy}- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)c1cccc(c1)OC

STK551639
Synonyms: (2E)- 3- [(2,4- difluorophenyl)amino]- 2- [4- (4- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1F)F)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK551641
Synonyms: N- cyclohexyl- 3- (furan- 2- yl)- 4- phenylbutanamide
Smiles: O=C(CC(c1ccco1)Cc1ccccc1)NC1CCCCC1

STK551644
Synonyms: N~4~- (2- fluorophenyl)- N~2~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1cccc(c1)Nc1nc(N)c(c(n1)Nc1ccccc1F)[N+](=O)[O-]

STK551651
Synonyms: N~2~- (furan- 2- ylmethyl)- N~4~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1cccc(c1)Nc1nc(NCc2ccco2)nc(c1[N+](=O)[O-])N

STK551654
Synonyms: N~2~- (4- methoxyphenyl)- N~4~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(cc1)Nc1nc(N)c(c(n1)Nc1cccc(c1)C)[N+](=O)[O-]

STK551655
Synonyms: (5Z)- 2- [(2,3- dichlorophenyl)amino]- 5- (thiophen- 2- ylmethylidene)- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1cccs1)Nc1cccc(c1Cl)Cl

STK551656
Synonyms: (5Z)- 3- (3- methylphenyl)- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)C

STK551658
Synonyms: 1- (1- chloro- 2- methylpropan- 2- yl)- 1H- tetrazol- 5- amine
Smiles: ClCC(n1nnnc1N)(C)C

STK551663
Synonyms: methyl4- [(6- chloro- 4- phenylquinolin- 2- yl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)Nc1nc2ccc(cc2c(c1)c1ccccc1)Cl

STK551665
Synonyms: N- [(5Z)- 5- (2,5- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- hydroxybenzamide
Smiles: COc1ccc(cc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)O)OC

STK551666
Synonyms: 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- [4- (4- nitrophenyl)piperazin- 1- yl]ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])c([nH]2)C

STK551667
Synonyms: methyl1- acetyl- 7- (4- iodophenyl)- 6,8- dioxo- 1,2,7- triazaspiro[4.4]non- 2- ene- 3- carboxylate
Smiles: COC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1ccc(cc1)I)C(=O)C

STK551668
Synonyms: methyl4- {(Z)- 2- cyano- 2- [4- (2,4- dichlorophenyl)- 1,3- thiazol- 2- yl]ethenyl}benzoate
Smiles: N#C/C(=C/c1ccc(cc1)C(=O)OC)/c1scc(n1)c1ccc(cc1Cl)Cl

STK551672
Synonyms: 6- phenyl- 2- [(2- phenylethyl)amino]pyrimidine- 4- carbonitrile
Smiles: N#Cc1nc(NCCc2ccccc2)nc(c1)c1ccccc1

STK551673
Synonyms: (8R,8aS,11aR)- 8- [(4- methoxyphenyl)carbonyl]- 10- (naphthalen- 1- yl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc2c1cccc2)cccc3

STK844368
Synonyms: 4- {(Z)- 2- [4- (1,3- benzodioxol- 5- 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)c1ccc2c(c1)OCO2

STK844370
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 4- oxo- 4H- chromen- 7- ylmorpholine- 4- carboxylate
Smiles: O=C(N1CCOCC1)Oc1ccc2c(c1)occ(c2=O)c1nc2c(s1)cccc2

STK844371
Synonyms: ethyl2- ({[(4- amino- 5,6- dimethylthieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetyl}amino)- 4,5- dimethylthiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nc(N)c3c(n2)sc(c3C)C)sc(c1C)C

STK551685
Synonyms: 4,6- dimethyl- 2- oxo- N- (quinolin- 6- yl)- 2H- pyran- 5- carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)Nc1ccc2c(c1)cccn2

STK551689
Synonyms: 3- amino- N- (2,6- dimethylphenyl)- 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)Nc1c(C)cccc1C

STK551692
Synonyms: 2- [(5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- methylbutanoicacid
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C(C)C

STK551694
Synonyms: 5- amino- 1- [(4- methylphenyl)carbonyl]- 1H- pyrazole- 3,4- dicarbonitrile
Smiles: N#Cc1nn(c(c1C#N)N)C(=O)c1ccc(cc1)C

STK551696
Synonyms: 5- chloro- N'- [(1E,2E)- 2- methyl- 4- (2,6,6- trimethylcyclohex- 1- en- 1- yl)but- 2- en- 1- ylidene]- 3- phenyl- 1H- indole- 2- carbohydrazide
Smiles: C/C(=C\CC1=C(C)CCCC1(C)C)/C=N/NC(=O)c1[nH]c2c(c1c1ccccc1)cc(cc2)Cl

STK551697
Synonyms: 3,3'- {[5- (methylsulfanyl)- 1,3,4- thiadiazol- 2- yl]imino}dipropanenitrile
Smiles: CSc1nnc(s1)N(CCC#N)CCC#N

STK844373
Synonyms: methyl2- ({(Z)- 2- cyano- 2- [4- (6- nitro- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzoate
Smiles: N#C/C(=C/Nc1ccccc1C(=O)OC)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK844375
Synonyms: 3- (benzylsulfanyl)- 5,6- di(furan- 2- yl)- 1,2,4- triazine
Smiles: c1ccc(cc1)CSc1nnc(c(n1)c1ccco1)c1ccco1

STK551700
Synonyms: 2- butoxy- 5- (4- {(E)- [4- (4- pentylpiperazin- 1- yl)phenyl]diazenyl}phenyl)pyrimidine
Smiles: CCCCCN1CCN(CC1)c1ccc(cc1)/N=N/c1ccc(cc1)c1cnc(nc1)OCCCC

STK844376
Synonyms: 2- (2- fluorophenyl)- 4- (piperidin- 1- yl)quinazoline
Smiles: Fc1ccccc1c1nc(N2CCCCC2)c2c(n1)cccc2

STK844377
Synonyms: (5Z)- 5- (2,3- dimethoxybenzylidene)- 2- [(4- methylphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: COc1cccc(c1OC)/C=C/1\SC(=NC1=O)Nc1ccc(cc1)C

STK551705
Synonyms: (2Z)- 2- [4- (4- 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)c1ccc(cc1)Br

STK844378
Synonyms: N- (4- methoxyphenyl)- 2- (4- methylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)C

STK551709
Synonyms: 2- (4- benzylpiperidin- 1- yl)- 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCC(CC1)Cc1ccccc1)c([nH]2)C

STK844379
Synonyms: 2- [2- ({4- amino- 6- [(4- methylphenyl)amino]- 5- nitropyrimidin- 2- yl}amino)ethoxy]ethanol
Smiles: OCCOCCNc1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-]

STK551711
Synonyms: ethyl3- {[3- (piperidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCCC1)cccc2

STK844382
Synonyms: 2- (4- {4- [(4- fluorophenyl)amino]phthalazin- 1- yl}phenoxy)- 1- (piperidin- 1- yl)ethanone
Smiles: Fc1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(cc1)OCC(=O)N1CCCCC1

STK551715
Synonyms: 2- {[3- cyano- 4- (4- hydroxy- 3- methoxyphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2

STK844384
Synonyms: ethyl5- cyano- 4- (furan- 2- yl)- 6- ({2- [(2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- phenyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: CCOC(=O)C1=C(NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccccc1C)c1ccccc1

STK551721
Synonyms: N,N'- bis(2- acetyl- 6,6- dimethylbicyclo[3.1.0]hex- 2- en- 3- yl)benzene- 1,4- dicarboxamide
Smiles: CC(=O)C1=C(CC2C1C2(C)C)NC(=O)c1ccc(cc1)C(=O)NC1=C(C(=O)C)C2C(C1)C2(C)C

STK551722
Synonyms: N- [3- (imidazo[1,2- a]pyridin- 2- yl)phenyl]- 3- methylbenzamide
Smiles: Cc1cccc(c1)C(=O)Nc1cccc(c1)c1nc2n(c1)cccc2

STK551727
Synonyms: 2- (2- {(Z)- 1- amino- 2- [(4- chloro- 2,5- dimethoxyphenyl)amino]ethenyl}- 1,3- thiazol- 4- yl)- 3H- benzo[f]chromen- 3- one
Smiles: COc1cc(Cl)c(cc1N/C=C(/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1)\N)OC

STK551728
Synonyms: (2Z)- 2- {4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- yl}- 3- (3,4,5- trimethoxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C/c1cc(OC)c(c(c1)OC)OC)/c1scc(n1)c1ccc(cc1)CC(C)C

STK844388
Synonyms: 4- (4- ethoxyphenyl)- N- (4- methylphenyl)phthalazin- 1- amine
Smiles: CCOc1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc(cc1)C

STK844389
Synonyms: 2- [(2E)- 3- (2- fluorophenyl)prop- 2- enoyl]- 5- methoxyphenylmorpholine- 4- carboxylate
Smiles: COc1ccc(c(c1)OC(=O)N1CCOCC1)C(=O)/C=C/c1ccccc1F

STK551730
Synonyms: (2Z)- 2- [4- (4- nitrophenyl)- 1,3- thiazol- 2- yl]- 3- (3,4,5- trimethoxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C/c1cc(OC)c(c(c1)OC)OC)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK844390
Synonyms: 3- chloro- 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)c1cccc(c1)Cl

STK551731
Synonyms: 2- amino- 9- (4- ethoxyphenyl)- 4- methyl- 7- oxo- 6,7,8,9- tetrahydrothieno[2,3- b:4,5- b']dipyridine- 3- carbonitrile
Smiles: CCOc1ccc(cc1)C1CC(=O)Nc2c1c1nc(N)c(c(c1s2)C)C#N

STK844391
Synonyms: (2Z)- [4- (2,4- dichlorophenyl)- 1,3- thiazol- 2- yl][2- (4- ethylphenyl)hydrazinylidene]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)CC)/c1scc(n1)c1ccc(cc1Cl)Cl

STK551737
Synonyms: 2- ethyl- 5- [(3- nitrophenyl)amino]- 5- oxopentanoicacid
Smiles: CCC(C(=O)O)CCC(=O)Nc1cccc(c1)[N+](=O)[O-]

STK551740
Synonyms: 2- [(5Z)- 5- (2- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoicacid
Smiles: CCC(N1C(=S)S/C(=C\c2ccccc2OC)/C1=O)C(=O)O

STK844393
Synonyms: (5Z)- 5- (3- fluorobenzylidene)- 3- (phenylamino)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)Nc1ccccc1

STK551749
Synonyms: (2Z)- 3- [3,4- bis(benzyloxy)phenyl]- 2- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C\c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1)/C#N

STK844396
Synonyms: (5Z)- 3- (4- ethoxyphenyl)- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidine- 2,4- dione
Smiles: CCOc1ccc(cc1)N1C(=O)S/C(=C\c2cc(OC)c(c(c2)OC)OC)/C1=O

STK844397
Synonyms: (2Z)- 3- [(3- chloro- 4- fluorophenyl)amino]- 2- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C\Nc1ccc(c(c1)Cl)F)/C#N

STK844398
Synonyms: 2- {4- [4- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 5- methyl- 1H- pyrazol- 3- yl]- 2- ethyl- 5- hydroxyphenoxy}acetohydrazide
Smiles: NNC(=O)COc1cc(O)c(cc1CC)c1n[nH]c(c1c1ccc2c(c1)OCCO2)C

STK551755
Synonyms: N~4~- (4- chlorophenyl)- N~2~,N~2~- diethyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCN(c1nc(Nc2ccc(cc2)Cl)c(c(n1)N)[N+](=O)[O-])CC

STK551756
Synonyms: 2,4- diamino- 5- imino- 8- oxo- 10- phenyl- 7,8,9,10- tetrahydro- 5H- thiopyrano[2,3- b:4,5- b']dipyridine- 3- carbonitrile
Smiles: N#Cc1c(N)nc2c(c1N)c(=N)sc1c2C(CC(=O)N1)c1ccccc1

STK551759
Synonyms: 2- [4- (3- chlorophenyl)piperazin- 1- yl]- 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)c1cccc(c1)Cl)c([nH]2)C

STK844399
Synonyms: 2- {[3- cyano- 4- (4- hydroxy- 3- methoxyphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (2,4,6- trimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2

STK551762
Synonyms: 3- {[2- (5- methylfuran- 2- yl)phenyl]carbamoyl}bicyclo[2.2.1]hept- 5- ene- 2- carboxylicacid
Smiles: O=C(C1C2C=CC(C1C(=O)O)C2)Nc1ccccc1c1ccc(o1)C

STK551764
Synonyms: 4- [(4- methylphenyl)sulfanyl]- 2- (pyridin- 4- yl)quinazoline
Smiles: Cc1ccc(cc1)Sc1nc(nc2c1cccc2)c1ccncc1

STK551765
Synonyms: 4- [2- methyl- 5- (propan- 2- yl)phenoxy]- 2- (pyridin- 4- yl)quinazoline
Smiles: CC(c1ccc(c(c1)Oc1nc(nc2c1cccc2)c1ccncc1)C)C

STK551767
Synonyms: N- [(5Z)- 5- (3- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2- hydroxybenzamide
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1O

STK551772
Synonyms: 2- (2- chlorophenyl)- 3- [(4- phenoxyphenyl)sulfonyl]- 1,3- thiazolidine
Smiles: Clc1ccccc1C1SCCN1S(=O)(=O)c1ccc(cc1)Oc1ccccc1

STK551774
Synonyms: (2Z)- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl][2- (4- methylphenyl)hydrazinylidene]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)C)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK551777
Synonyms: 3- (4- bromophenyl)- 4- oxo- 4H- chromen- 7- yl4- chlorobenzoate
Smiles: Clc1ccc(cc1)C(=O)Oc1ccc2c(c1)occ(c2=O)c1ccc(cc1)Br

STK551778
Synonyms: (2Z)- [2- (4- ethoxyphenyl)hydrazinylidene][4- (naphthalen- 1- yl)- 1,3- thiazol- 2- yl]ethanenitrile
Smiles: CCOc1ccc(cc1)N/N=C(\c1scc(n1)c1cccc2c1cccc2)/C#N

STK551780
Synonyms: 2,2'- [(7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidine- 2,4- diyl)disulfanediyl]diacetamide
Smiles: CN1CCc2c(C1)sc1c2c(SCC(=O)N)nc(n1)SCC(=O)N

STK551782
Synonyms: N,N- dimethyl- N'- (5H- pyrimido[5,4- b]indol- 4- yl)propane- 1,3- diamine
Smiles: CN(CCCNc1ncnc2c1[nH]c1c2cccc1)C

STK551789
Synonyms: 2- [(5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoicacid
Smiles: CCC(N1C(=S)S/C(=C\c2ccc(c(c2)OC)O)/C1=O)C(=O)O

STK551794
Synonyms: ethyl6- bromo- 1- cyclohexyl- 4- [(dimethylamino)methyl]- 5- hydroxy- 2- [(phenylsulfanyl)methyl]- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(CSc2ccccc2)n(c2c1c(CN(C)C)c(O)c(c2)Br)C1CCCCC1

STK551810
Synonyms: 5- cyano- 4- (4- ethoxyphenyl)- 6- ({2- [(4- ethoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1ccc(cc1)OCC

STK551813
Synonyms: 2- [(5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- phenylpropanoicacid
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)Cc1ccccc1

STK551820
Synonyms: 5- nitro- 3- phenyl- 1H- indole- 2- carboxylicacid
Smiles: OC(=O)c1[nH]c2c(c1c1ccccc1)cc(cc2)[N+](=O)[O-]

STK844406
Synonyms: (2Z)- 2- ({[(4- methylphenyl)carbonyl]oxy}imino)- 1- benzothiophen- 3(2H)- one
Smiles: Cc1ccc(cc1)C(=O)O/N=C/1\Sc2c(C1=O)cccc2

STK551822
Synonyms: 2- {3- [(1H- benzimidazol- 2- ylsulfanyl)methyl]- 4- methoxyphenyl}- 2,3- dihydro- 4H- chromen- 4- one
Smiles: COc1ccc(cc1CSc1nc2c([nH]1)cccc2)C1CC(=O)c2c(O1)cccc2

STK551823
Synonyms: 4,6- dimethyl- N- {2- [(4- methylpiperazin- 1- yl)carbonyl]phenyl}- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: CN1CCN(CC1)C(=O)c1ccccc1NC(=O)c1c(C)cc(=O)oc1C

STK551824
Synonyms: (3aR,4S,8aS,8bS)- 2- (4- nitrophenyl)- 4- (phenylcarbonyl)hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@H](N1[C@H]2CCC1)C(=O)c1ccccc1

STK551831
Synonyms: (2Z)- 3- (azepan- 1- yl)- 3- oxo- 2- (4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene)propanenitrile
Smiles: N#C/C(=C\1/SCC(=O)N1c1ccccc1)/C(=O)N1CCCCCC1

STK844410
Synonyms: (2Z)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- [(2,4- difluorophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1F)F)/c1scc(n1)c1ccc2c(c1)OCO2

STK844411
Synonyms: 6- {[2- (tert- butylamino)- 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)NC(C)(C)C)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1F)C

STK551833
Synonyms: 5- cyano- 4- (4- ethoxyphenyl)- 2- methyl- 6- {[2- (naphthalen- 2- ylamino)- 2- oxoethyl]sulfanyl}- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCOc1ccc(cc1)C1C(=C(SCC(=O)Nc2ccc3c(c2)cccc3)NC(=C1C(=O)Nc1ccccc1)C)C#N

STK551835
Synonyms: 4- (4- propoxyphenoxy)- 2- (pyridin- 4- yl)quinazoline
Smiles: CCCOc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccncc1

STK551836
Synonyms: (5Z)- 5- (3- fluorobenzylidene)- 3- (naphthalen- 2- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)c1ccc2c(c1)cccc2

STK551838
Synonyms: tert- butyl(8R,8aS,11aR)- 10- (4- fluorophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 8- carboxylate
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=N1)C(=O)OC(C)(C)C

STK551841
Synonyms: N~2~,N~2~- diethyl- N~4~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCN(c1nc(Nc2cccc(c2)C)c(c(n1)N)[N+](=O)[O-])CC

STK551850
Synonyms: N~2~- benzyl- N~4~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1cccc(c1)Nc1nc(NCc2ccccc2)nc(c1[N+](=O)[O-])N

STK551857
Synonyms: (2Z)- 3- [(3- chloro- 4- fluorophenyl)amino]- 2- {4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- yl}prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(c(c1)Cl)F)/c1scc(n1)c1ccc(cc1)CC(C)C

STK844414
Synonyms: 8- [(2- hydroxyethyl)(methyl)amino]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCN(c1[nH]c2c(n1)n(C)c(=O)[nH]c2=O)C

STK551869
Synonyms: (5Z)- 5- (2,5- dimethoxybenzylidene)- 3- (3- hydroxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1ccc(c(c1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)O)OC

STK551870
Synonyms: N,N'- dibenzylquinoxaline- 2,3- diamine
Smiles: c1ccc(cc1)CNc1nc2ccccc2nc1NCc1ccccc1

STK844417
Synonyms: 6- (piperidin- 1- ylcarbonyl)- N- (4- sulfamoylphenyl)cyclohex- 3- ene- 1- carboxamide
Smiles: O=C(C1CC=CCC1C(=O)N1CCCCC1)Nc1ccc(cc1)S(=O)(=O)N

STK844418
Synonyms: 2- (4- benzylpiperazin- 1- yl)- N- (furan- 2- ylmethyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NCc1ccco1)N1CCN(CC1)Cc1ccccc1

STK551877
Synonyms: 3- {[(E)- (3- fluorophenyl)methylidene]amino}- 7,8- dimethoxy- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1cc2c(cc1OC)[nH]c1c2[nH]c(=O)n(c1=O)/N=C/c1cccc(c1)F

STK551879
Synonyms: N- (4- methylphenyl)- 5- nitro- 2- (pyrrolidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: Cc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCC1

STK551883
Synonyms: N~2~- (3- fluorophenyl)- N~4~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(Nc2cccc(c2)F)nc(c1[N+](=O)[O-])N

STK551884
Synonyms: (2E)- 3- [(3- chloro- 4- fluorophenyl)amino]- 2- [4- (naphthalen- 1- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)Cl)F)/c1scc(n1)c1cccc2c1cccc2

STK551886
Synonyms: methyl4- {[(1E)- 3- (butylamino)- 8- hydroxy- 4- oxonaphthalen- 1(4H)- ylidene]amino}benzoate
Smiles: CCCCNC1=C/C(=N\c2ccc(cc2)C(=O)OC)/c2c(C1=O)cccc2O

STK551888
Synonyms: chromeno[4,3- c]pyrazole
Smiles: n1cc2c(n1)c1ccccc1oc2

STK551889
Synonyms: 6- ethyl- 2- methyl- 3- (1- methyl- 1H- benzimidazol- 2- yl)- 4- oxo- 4H- chromen- 7- yl2- chlorobenzoate
Smiles: CCc1cc2c(cc1OC(=O)c1ccccc1Cl)oc(c(c2=O)c1nc2c(n1C)cccc2)C

STK551890
Synonyms: N- ({2- [(2- hydroxyphenyl)carbonyl]hydrazinyl}carbonothioyl)- 5- methyl- 3- phenyl- 1,2- oxazole- 4- carboxamide
Smiles: S=C(NC(=O)c1c(C)onc1c1ccccc1)NNC(=O)c1ccccc1O

STK844422
Synonyms: (2Z)- 3- [(2- fluoro- 5- nitrophenyl)amino]- 2- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C\Nc1cc(ccc1F)[N+](=O)[O-])/C#N

STK551894
Synonyms: (2E)- [2- (4- chlorophenyl)hydrazinylidene][4- (naphthalen- 1- yl)- 1,3- thiazol- 2- yl]ethanenitrile
Smiles: N#C/C(=N\Nc1ccc(cc1)Cl)/c1scc(n1)c1cccc2c1cccc2

STK844423
Synonyms: 8- nitro- 3- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 2H- chromen- 2- one
Smiles: O=c1oc2c(cc1c1scc(n1)c1cc3ccccc3oc1=O)cccc2[N+](=O)[O-]

STK551902
Synonyms: 3- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 2- oxo- 2H- chromen- 7- yl2- chlorobenzoate
Smiles: Brc1ccc(cc1)c1csc(n1)c1cc2ccc(cc2oc1=O)OC(=O)c1ccccc1Cl

STK551904
Synonyms: (3a'R,8a'S,8b'S)- 2'- (2- methyl- 5- nitrophenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indene- 2,4'- pyrrolo[3,4- a]pyrrolizine]- 1,1',3,3'(2'H)- tetrone
Smiles: O=C1N(C(=O)[C@H]2[C@@H]1[C@]1(N3[C@H]2CCC3)C(=O)c2c(C1=O)cccc2)c1cc(ccc1C)[N+](=O)[O-]

STK551905
Synonyms: (2E)- 3- [3,4- bis(benzyloxy)phenyl]- 2- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1)/c1scc(n1)c1ccc(cc1)OC

STK551907
Synonyms: 2- [(E)- (2- {[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- methyl- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)methyl]- 6- methoxyphenyl4- chlorobenzoate
Smiles: COc1cccc(c1OC(=O)c1ccc(cc1)Cl)/C=N/NC(=O)c1nnn(c1C)c1nonc1N

STK551910
Synonyms: 5- cyano- 4- (4- ethoxyphenyl)- 2- methyl- 6- ({2- [(4- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCOc1ccc(cc1)C1C(=C(SCC(=O)Nc2ccc(cc2)C)NC(=C1C(=O)Nc1ccccc1)C)C#N

STK551911
Synonyms: 1- (pyridin- 2- yl)- 4- [5- (trifluoromethyl)- 1,3,4- thiadiazol- 2- yl]piperazine
Smiles: FC(c1nnc(s1)N1CCN(CC1)c1ccccn1)(F)F

STK551916
Synonyms:
Smiles: C[C@H]([C@@H](C(=O)O)Nc1ncnc2c1c1CCCCc1s2)O

STK844429
Synonyms: 8- chloro- 10- (2,3- dimethylphenyl)pyrimido[4,5- b]quinoline- 2,4(3H,10H)- dione
Smiles: Clc1ccc2c(c1)n(c1cccc(c1C)C)c1c(c2)c(=O)[nH]c(=O)n1

STK551920
Synonyms: ethyl7- ({[4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]acetyl}amino)- 5H- [1,3]dioxolo[4,5- f]indole- 6- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1cc(Cl)ccc1C)cc1c(c2)OCO1

STK551921
Synonyms: 2- (prop- 2- en- 1- ylsulfanyl)- 6- propyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCC=C

STK551922
Synonyms: (5Z)- 3- (3- chloro- 4- fluorophenyl)- 5- (2- methoxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)c1ccc(c(c1)Cl)F

STK551923
Synonyms: 4- phenyl- 5- [(1R,2R)- 2- phenylcyclopropyl]- 4H- 1,2,4- triazole- 3- thiol
Smiles: Sc1nnc(n1c1ccccc1)[C@@H]1C[C@H]1c1ccccc1

STK551924
Synonyms: 4- [4- (propan- 2- yl)phenoxy]- 2- (pyridin- 4- yl)quinazoline
Smiles: CC(c1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccncc1)C

STK551930
Synonyms: N- (6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- yl)- L- serine
Smiles: OC[C@@H](C(=O)O)Nc1ncnc2c1c1CCCc1s2

STK844432
Synonyms: dimethyl5- ({(Z)- 2- [4- (3- bromophenyl)- 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)c1cccc(c1)Br

STK551941
Synonyms: N- carbamoyl- 4- {[(E)- 2- cyano- 2- (4- phenyl- 1,3- thiazol- 2- yl)ethenyl]amino}benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)NC(=O)N)/c1scc(n1)c1ccccc1

STK551944
Synonyms: 1- [(2,2- diethoxyethyl)sulfanyl]- 4- (4- methylphenyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCOC(CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CCCC3)OCC

STK551946
Synonyms: 9- fluoro- 6- [2- (5- fluoro- 3- hydroxy- 9- methyl- 1- oxo- 7,8,9,9a- tetrahydro- 1H- phenalen- 2- yl)ethyl]- 7- hydroxy- 3- methyl- 2,3- dihydro- 1H,5H- pyrido[3,2,1- ij]quinolin- 5- one
Smiles: Fc1cc2CCC(C3c2c(c1)C(=C(C3=O)CCc1c(O)c2cc(F)cc3c2n(c1=O)C(C)CC3)O)C

STK551947
Synonyms: 2- {(5Z)- 5- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}butanoicacid
Smiles: CCC(N1C(=S)S/C(=C\C(=C\c2ccccc2)\C)/C1=O)C(=O)O

STK551949
Synonyms: 4,6- dimethyl- 2- oxo- N- [2- (piperidin- 1- yl)ethyl]- 2H- pyran- 5- carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)NCCN1CCCCC1

STK551951
Synonyms: N- carbamimidoyl- 4- ({(Z)- 2- cyano- 2- [4- (3,4- dichlorophenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C/Nc1ccc(cc1)S(=O)(=O)NC(=N)N)/c1scc(n1)c1ccc(c(c1)Cl)Cl

STK551954
Synonyms: (2E)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- [2- (trifluoromethyl)phenyl]prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccccc1C(F)(F)F)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK551958
Synonyms: 9- fluoro- 7- hydroxy- 3- methyl- 5- oxo- N- [2- (piperazin- 1- yl)ethyl]- 2,3- dihydro- 1H,5H- pyrido[3,2,1- ij]quinoline- 6- carboxamide
Smiles: Fc1cc2CCC(n3c2c(c1)c(O)c(c3=O)C(=O)NCCN1CCNCC1)C

STK551960
Synonyms: 4- {5- chloro- 4- [(2,2- dimethyl- 1,3- dioxolan- 4- yl)methoxy]- 3,6- difluoropyridin- 2- yl}morpholine
Smiles: Fc1nc(N2CCOCC2)c(c(c1Cl)OCC1COC(O1)(C)C)F

STK844433
Synonyms: (2E)- 2- [4- (naphthalen- 1- 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)c1cccc2c1cccc2

STK551964
Synonyms: ethyl5- cyano- 4- (2- fluorophenyl)- 2- oxo- 6- [(2- oxo- 2- {[3- (trifluoromethyl)phenyl]amino}ethyl)sulfanyl]- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1cccc(c1)C(F)(F)F

STK551966
Synonyms: 2- (piperidin- 1- yl)quinoline- 3- carbonitrile
Smiles: N#Cc1cc2ccccc2nc1N1CCCCC1

STK844435
Synonyms: dimethyl5- ({(Z)- 2- cyano- 2- [4- (3- nitrophenyl)- 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)c1cccc(c1)[N+](=O)[O-]

STK844436
Synonyms: 2- {[3- cyano- 4- (furan- 2- yl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (2- nitrophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(=O)CC1c1ccco1

STK551971
Synonyms: 2- methoxyethyl4- (4- chlorophenyl)- 5- cyano- 6- ({2- [(4- 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)Nc1ccc(cc1)OC

STK551974
Synonyms: 1- (dibenzylamino)- 3- (3- methylphenoxy)propan- 2- ol
Smiles: OC(CN(Cc1ccccc1)Cc1ccccc1)COc1cccc(c1)C

STK551975
Synonyms: (2Z)- 3- [4- (benzyloxy)- 3- methoxyphenyl]- 2- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)OC)OCc1ccccc1)/c1scc(n1)c1cccc(c1)OC

STK551983
Synonyms: 1,1'- [1- (2- amino- 4- methylphenyl)- 2,5- dimethyl- 1H- pyrrole- 3,4- diyl]diethanone
Smiles: Cc1ccc(c(c1)N)n1c(C)c(c(c1C)C(=O)C)C(=O)C

STK551985
Synonyms: 1- (naphthalen- 2- ylmethyl)- 1H- benzimidazole- 2- thiol
Smiles: Sc1nc2c(n1Cc1ccc3c(c1)cccc3)cccc2

STK551986
Synonyms: 1- (butan- 2- yl)- 1H- benzimidazole- 2- sulfonicacid
Smiles: CCC(n1c2ccccc2nc1S(=O)(=O)O)C

STK551988
Synonyms: 1- amino- N- (4- methoxyphenyl)- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1

STK844440
Synonyms: N~2~,N~4~- bis(4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-]