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

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STK543327
Synonyms: 3- benzyl- 2- (benzylsulfanyl)- 6- iodoquinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SCc1ccccc1)Cc1ccccc1

STK841592
Synonyms: prop- 2- en- 1- yl6- [(2- amino- 2- oxoethyl)sulfanyl]- 4- (4- chlorophenyl)- 5- cyano- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)N

STK841594
Synonyms: 1- (thiophen- 2- ylsulfonyl)piperidine- 3- carbohydrazide
Smiles: NNC(=O)C1CCCN(C1)S(=O)(=O)c1cccs1

STK841597
Synonyms: N- (3,4- difluorophenyl)- 4- (3- ethoxy- 4- hydroxyphenyl)- 6- methyl- 2- oxo- 1,2,3,4- tetrahydropyrimidine- 5- carboxamide
Smiles: CCOc1cc(ccc1O)C1NC(=O)NC(=C1C(=O)Nc1ccc(c(c1)F)F)C

STK841598
Synonyms: 2- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]- 4- fluorophenyl2- bromobenzoate
Smiles: COc1cc(/C=C/C(=O)c2cc(F)ccc2OC(=O)c2ccccc2Br)ccc1OC

STK543349
Synonyms: 3- acetyl- 2- methyl- 4- phenyl- 5H- indeno[1,2- b]pyridin- 5- one
Smiles: CC(=O)c1c(C)nc2c(c1c1ccccc1)C(=O)c1c2cccc1

STK841600
Synonyms: 4- methyl- 2- [2- (morpholin- 4- yl)ethoxy]quinoline
Smiles: Cc1cc(OCCN2CCOCC2)nc2c1cccc2

STK543353
Synonyms: 2- {4- [6- (benzylamino)- 7- nitro- 2,1,3- benzoxadiazol- 4- yl]piperazin- 1- yl}ethanol
Smiles: OCCN1CCN(CC1)c1cc(NCc2ccccc2)c(c2c1non2)[N+](=O)[O-]

STK841602
Synonyms: 6- iodo- 3- (2- methylphenyl)- 2- [(E)- 2- (pyridin- 3- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1cccnc1)c1ccccc1C

STK543357
Synonyms: 2- [4- (4- chlorobenzyl)piperazin- 1- yl]- N'- [(1E,2E)- 3- (2- nitrophenyl)prop- 2- en- 1- ylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)Cl)N/N=C/C=C/c1ccccc1[N+](=O)[O-]

STK543360
Synonyms: 1- [1- hydroxy- 3,3- dimethyl- 11- (pyridin- 3- yl)- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl]- 2- methylpropan- 1- one
Smiles: CC(C(=O)N1C(c2cccnc2)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C)C

STK543362
Synonyms: 2,2'- butane- 1,4- diylbis(6- chloro- 1,3- benzothiazole)
Smiles: Clc1ccc2c(c1)sc(n2)CCCCc1nc2c(s1)cc(cc2)Cl

STK543363
Synonyms: (6aS,6bR,9aS,10R)- 10- (1H- benzotriazol- 1- ylcarbonyl)- 8- (3- fluorophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Fc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2

STK543366
Synonyms: ethyl(3- methyl- 4- oxo- 4,5,6,7- tetrahydro- 1H- indazol- 1- yl)acetate
Smiles: CCOC(=O)Cn1nc(c2c1CCCC2=O)C

STK543373
Synonyms: N~4~- (furan- 2- ylmethyl)- N~2~- (naphthalen- 1- yl)quinazoline- 2,4- diamine
Smiles: c1coc(c1)CNc1nc(nc2c1cccc2)Nc1cccc2c1cccc2

STK543375
Synonyms: 1- (4- cyclopentylpiperazin- 1- yl)- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: N#Cc1c(C)cc(n2c1nc1c2cccc1)N1CCN(CC1)C1CCCC1

STK841606
Synonyms: 2- (benzylsulfanyl)- 4- (2,3- dichlorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccccc2)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CCC2

STK841607
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[3- cyano- 4- (2- methylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)NC(=O)CC1c1ccccc1C

STK543379
Synonyms: 5- [(2- hydroxyethyl)(methyl)sulfamoyl]- 2- methoxybenzoicacid
Smiles: OCCN(S(=O)(=O)c1ccc(c(c1)C(=O)O)OC)C

STK841609
Synonyms: 2- {[3- cyano- 4- (2,3- dichlorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)N)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CCC2

STK543385
Synonyms: 2- {[3- cyano- 4- (2,3- dichlorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (2- ethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2CC)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CCC2

STK841611
Synonyms: N- (diethylcarbamothioyl)pyridine- 3- carboxamide
Smiles: CCN(C(=S)NC(=O)c1cccnc1)CC

STK543393
Synonyms: methyl(1S,2S,3S)- 1- acetyl- 3- cyano- 7- methoxy- 2- (4- methoxyphenyl)- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinoline- 3- carboxylate
Smiles: COc1ccc(cc1)[C@@H]1[C@@H](C(=O)C)N2C([C@@]1(C#N)C(=O)OC)C=Cc1c2ccc(c1)OC

STK841616
Synonyms: (4Z)- 4- [(4- bromophenyl)(hydroxy)methylidene]- 5- (4- fluorophenyl)- 1- methylpyrrolidine- 2,3- dione
Smiles: Fc1ccc(cc1)C1/C(=C(\c2ccc(cc2)Br)/O)/C(=O)C(=O)N1C

STK543398
Synonyms: 6- chloro- 2- [(2E)- 2- (1- phenylethylidene)hydrazinyl]- 1,3- benzoxazole
Smiles: Clc1ccc2c(c1)oc(n2)N/N=C(/c1ccccc1)\C

STK543400
Synonyms: 1- [(4- methoxy- 3- nitrophenyl)sulfonyl]- 4- (pyridin- 2- yl)piperazine
Smiles: COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCN(CC1)c1ccccn1

STK543402
Synonyms: methyl6- [(2- chlorobenzyl)sulfanyl]- 5- cyano- 4- (4- methylphenyl)- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCc1ccccc1Cl

STK543411
Synonyms: 4- bromo- 2- [(2E)- 3- (4- fluorophenyl)prop- 2- enoyl]phenyl3- nitrobenzoate
Smiles: Brc1ccc(c(c1)C(=O)/C=C/c1ccc(cc1)F)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK841620
Synonyms: 3- {[5- (4- chlorophenyl)thieno[2,3- d]pyrimidin- 4- yl]amino}propan- 1- ol
Smiles: OCCCNc1ncnc2c1c(cs2)c1ccc(cc1)Cl

STK543423
Synonyms: 1- benzyl- 2'- (5- bromothiophen- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc(s1)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)Cc1ccccc1

STK841622
Synonyms: 2- (4- fluorophenyl)- 2- oxoethyl1- (quinolin- 8- ylsulfonyl)piperidine- 4- carboxylate
Smiles: Fc1ccc(cc1)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)c1cccc2c1nccc2

STK841623
Synonyms: 2- [(2E)- 3- (2- chlorophenyl)prop- 2- enoyl]- 5- methoxyphenyl3,4- dimethoxybenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccc(c(c1)OC)OC)C(=O)/C=C/c1ccccc1Cl

STK841624
Synonyms: methyl3- (4- chlorophenyl)- 4- methyl- 2- thioxo- 2,3- dihydro- 1,3- thiazole- 5- carboxylate
Smiles: COC(=O)c1sc(=S)n(c1C)c1ccc(cc1)Cl

STK543430
Synonyms: 2- {4- [6- (morpholin- 4- yl)- 7- nitro- 2,1,3- benzoxadiazol- 4- yl]piperazin- 1- yl}ethanol
Smiles: OCCN1CCN(CC1)c1cc(N2CCOCC2)c(c2c1non2)[N+](=O)[O-]

STK543433
Synonyms: 8- ethyl- 2- [4- (naphthalen- 1- ylcarbamothioyl)piperazin- 1- yl]- 5- oxo- 5,8- dihydropyrido[2,3- d]pyrimidine- 6- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)Nc1cccc2c1cccc2

STK543438
Synonyms: 6- [(4- methoxy- 6- methylpyrimidin- 2- yl)oxy]- 2- methylpyridazin- 3(2H)- one
Smiles: COc1nc(nc(c1)C)Oc1ccc(=O)n(n1)C

STK841628
Synonyms: ethyl5- methoxy- 1,2- dimethyl- 1H- benzo[g]indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OC)c1c2cccc1)C

STK543446
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 8- methyl- 4- oxo- 2- (propan- 2- yl)- 4H- chromen- 7- yl3- cyclopentylpropanoate
Smiles: O=C(Oc1ccc2c(c1C)oc(c(c2=O)c1nc2c(s1)cccc2)C(C)C)CCC1CCCC1

STK543449
Synonyms: 1- [(2E)- 2- (1- cyclododecylethylidene)hydrazinyl]methanediamine
Smiles: NC(N/N=C(/C1CCCCCCCCCCC1)\C)N

STK841630
Synonyms: 6- [1- (methylsulfonyl)- 3- phenyl- 4,5- dihydro- 1H- pyrazol- 5- yl]quinoxaline
Smiles: CS(=O)(=O)N1N=C(CC1c1ccc2c(c1)nccn2)c1ccccc1

STK841632
Synonyms: ethyl2- tert- butyl- 5- [(pentafluorobenzyl)oxy]- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3c(F)c(F)c(c(c3F)F)F)ccc2oc1C(C)(C)C

STK841633
Synonyms: N- {[1- (3,4- dichlorobenzyl)- 1H- benzimidazol- 2- yl]methyl}benzamide
Smiles: O=C(c1ccccc1)NCc1nc2c(n1Cc1ccc(c(c1)Cl)Cl)cccc2

STK543461
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[3- cyano- 4- (2- methylphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)NC2=C(C1c1ccccc1C)C(=O)CCC2

STK543463
Synonyms: (2E,5Z)- 2- [(3,5- dichlorophenyl)imino]- 5- (2,4- dimethoxybenzylidene)- 1,3- thiazolidin- 4- one
Smiles: COc1cc(OC)ccc1/C=C/1\S/C(=N/c2cc(Cl)cc(c2)Cl)/NC1=O

STK543466
Synonyms: 1- (4- bromophenyl)- 3- [(4- bromophenyl)amino]- 5- (4- fluorophenyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Fc1ccc(cc1)C1C=C(C(=O)N1c1ccc(cc1)Br)Nc1ccc(cc1)Br

STK841637
Synonyms: N~2~- (2,5- dimethylphenyl)- N~4~- (furan- 2- ylmethyl)quinazoline- 2,4- diamine
Smiles: Cc1ccc(c(c1)Nc1nc(NCc2ccco2)c2c(n1)cccc2)C

STK841638
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 7- hydroxy- 8- methyl- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: Oc1ccc2c(c1C)oc(c(c2=O)c1nc2c(s1)cccc2)C(F)(F)F

STK543468
Synonyms: 6- [(2- chlorobenzyl)sulfanyl]- 5- cyano- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCc2ccccc2Cl)NC(=O)C(C1)C(=O)N

STK543474
Synonyms: 2,6- bis(4- chlorophenyl)- 3- methyl- 4,5- dipropylpiperidin- 4- ol
Smiles: CCCC1C(NC(C(C1(O)CCC)C)c1ccc(cc1)Cl)c1ccc(cc1)Cl

STK841640
Synonyms: 2- methoxyethyl6- bromo- 5- [(4- chlorobenzyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1ccc(cc1)Cl)c(c2)Br

STK841642
Synonyms: 4- fluoro- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenyl2- methylbenzoate
Smiles: Fc1ccc(c(c1)C(=O)/C=C/c1cccs1)OC(=O)c1ccccc1C

STK841643
Synonyms: 4- fluoro- 2- [(2E)- 3- (4- fluorophenyl)prop- 2- enoyl]phenyl2- bromobenzoate
Smiles: Fc1ccc(c(c1)C(=O)/C=C/c1ccc(cc1)F)OC(=O)c1ccccc1Br

STK841644
Synonyms: dimethyl2,2'- (quinoxaline- 2,3- diyldisulfanediyl)diacetate
Smiles: COC(=O)CSc1nc2ccccc2nc1SCC(=O)OC

STK841645
Synonyms: methyl4- {[(2,4- dimethyl- 5- nitrophenyl)sulfonyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NS(=O)(=O)c1cc([N+](=O)[O-])c(cc1C)C

STK841646
Synonyms: 2- [(2E)- 3- (2- chlorophenyl)prop- 2- enoyl]- 4- fluorophenylthiophene- 2- carboxylate
Smiles: Fc1ccc(c(c1)C(=O)/C=C/c1ccccc1Cl)OC(=O)c1cccs1

STK543488
Synonyms: (2E)- 4- {benzyl[1- (3- chlorophenyl)- 2,5- dioxopyrrolidin- 3- yl]amino}- 4- oxobut- 2- enoicacid
Smiles: OC(=O)/C=C/C(=O)N(C1CC(=O)N(C1=O)c1cccc(c1)Cl)Cc1ccccc1

STK543491
Synonyms: (4E)- 4- [hydroxy(4- methoxyphenyl)methylidene]- 1- (pyrimidin- 2- yl)- 5- (thiophen- 2- yl)pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)c1ncccn1)/O

STK841650
Synonyms: 1- hydroxy- 3- (naphthalen- 1- yl)quinoxalin- 2(1H)- one4- oxide
Smiles: [O-][n+]1c(c2cccc3c2cccc3)c(=O)n(c2c1cccc2)O

STK841652
Synonyms: 4- hydroxy- 3- nitro- 1- phenylquinolin- 2(1H)- one
Smiles: [O-][N+](=O)c1c(O)c2ccccc2n(c1=O)c1ccccc1

STK841653
Synonyms: 2- {[4- (3- bromophenyl)- 3- cyano- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (3- chloro- 2- methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)NC(=O)CC1c1cccc(c1)Br

STK543500
Synonyms: ethyl5- {[(4- bromophenyl)carbonyl]oxy}- 2- tert- butyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)c1ccc(cc1)Br

STK543501
Synonyms: 2- [6- chloro- 2- (trifluoromethyl)- 1H- benzimidazol- 1- yl]- 1- (morpholin- 4- yl)ethanone
Smiles: O=C(N1CCOCC1)Cn1c(nc2c1cc(Cl)cc2)C(F)(F)F

STK841654
Synonyms: 2- (4- methylphenyl)- 5- (thiophen- 2- yl)- 5,6- dihydro- 7H- [1,2,4]triazolo[5,1- b][1,3]thiazin- 7- one
Smiles: Cc1ccc(cc1)c1nn2c(n1)SC(CC2=O)c1cccs1

STK543502
Synonyms: 2- hydroxy- N- [(5Z)- 5- (1H- indol- 3- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: S=C1S/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1NC(=O)c1ccccc1O

STK543509
Synonyms: 2- {[3- cyano- 4- (2- methylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C)NC(=O)CC1c1ccccc1C

STK543512
Synonyms: (2E,5E)- 2- [(2,4- dichlorophenyl)imino]- 5- (2,4- dimethoxybenzylidene)- 1,3- thiazolidin- 4- one
Smiles: COc1cc(OC)ccc1/C=C\1/S/C(=N/c2ccc(cc2Cl)Cl)/NC1=O

STK543520
Synonyms: ethyl5- amino- 3- methyl- 4- thiocyanatothiophene- 2- carboxylate
Smiles: CCOC(=O)c1sc(c(c1C)SC#N)N

STK543523
Synonyms: (2E)- 3- {3- [(furan- 2- ylmethyl)sulfamoyl]- 4- methylphenyl}prop- 2- enoicacid
Smiles: OC(=O)/C=C/c1ccc(c(c1)S(=O)(=O)NCc1ccco1)C

STK841661
Synonyms: 7- (azepan- 1- yl)- N- (2,5- dichlorophenyl)- 4- nitro- 2,1,3- benzoxadiazol- 5- amine
Smiles: Clc1ccc(c(c1)Nc1cc(N2CCCCCC2)c2c(c1[N+](=O)[O-])non2)Cl

STK543525
Synonyms: (2E,5Z)- 5- (2,4- dimethoxybenzylidene)- 2- {[2- (trifluoromethyl)phenyl]imino}- 1,3- thiazolidin- 4- one
Smiles: COc1cc(OC)ccc1/C=C/1\S/C(=N/c2ccccc2C(F)(F)F)/NC1=O

STK841662
Synonyms: 4- bromo- 2- [(2E)- 3- (2- chlorophenyl)prop- 2- enoyl]phenylfuran- 2- carboxylate
Smiles: Brc1ccc(c(c1)C(=O)/C=C/c1ccccc1Cl)OC(=O)c1ccco1

STK543526
Synonyms: 2- (4- fluorophenyl)tetrahydro- 1H- 4,7- ethanoisoindole- 1,3,5,8(2H,4H)- tetrone
Smiles: O=C1C2C(C(=O)N1c1ccc(cc1)F)C1CC(=O)C2CC1=O

STK543527
Synonyms: (4E)- 5- (4- tert- butylphenyl)- 1- [2- (dimethylamino)ethyl]- 4- [hydroxy(4- methoxyphenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCN(C)C)/O

STK543528
Synonyms: 1- hydroxy- 3- (4- methoxyphenyl)quinoxalin- 2(1H)- one4- oxide
Smiles: COc1ccc(cc1)c1c(=O)n(O)c2c([n+]1[O-])cccc2

STK543531
Synonyms: ethyl2- tert- butyl- 5- {[(4- methoxyphenyl)carbonyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)c1ccc(cc1)OC

STK841663
Synonyms: 4- chloro- 2- [(2E)- 3- (4- fluorophenyl)prop- 2- enoyl]phenylfuran- 2- carboxylate
Smiles: Clc1ccc(c(c1)C(=O)/C=C/c1ccc(cc1)F)OC(=O)c1ccco1

STK543537
Synonyms: 3- benzyl- 6- iodo- 2- [(E)- 2- (3- methylphenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Cc1cccc(c1)/C=C/c1nc2ccc(cc2c(=O)n1Cc1ccccc1)I

STK543542
Synonyms: prop- 2- en- 1- yl6- ({2- [(4- chloro- 2,5- dimethoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 2- methyl- 4- (4- methylphenyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1cc(OC)c(cc1OC)Cl

STK543548
Synonyms: 2- (4- {[(2- chlorophenyl)carbonyl]carbamothioyl}piperazin- 1- yl)- 8- ethyl- 5- oxo- 5,8- dihydropyrido[2,3- d]pyrimidine- 6- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)NC(=O)c1ccccc1Cl

STK841667
Synonyms: 2- [(2E)- 3- (2- fluorophenyl)prop- 2- enoyl]- 5- methoxyphenyl2- methoxybenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccccc1OC)C(=O)/C=C/c1ccccc1F

STK841669
Synonyms: 2- {[3- cyano- 4- (2- fluorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)OC)NC(=O)CC1c1ccccc1F

STK543553
Synonyms: 1- (furan- 2- ylmethyl)- 4- hydroxy- N- (4- methoxyphenyl)- 2- oxo- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(O)c2CCCCc2n(c1=O)Cc1ccco1

STK543560
Synonyms: 3- acetyl- 4- (4- fluorophenyl)- 2- methyl- 5H- indeno[1,2- b]pyridin- 5- one
Smiles: Fc1ccc(cc1)c1c(C(=O)C)c(C)nc2c1C(=O)c1c2cccc1

STK543562
Synonyms: 8- ethyl- 2- {4- [(2- methoxyphenyl)carbamothioyl]piperazin- 1- yl}- 5- oxo- 5,8- dihydropyrido[2,3- d]pyrimidine- 6- carboxylicacid
Smiles: COc1ccccc1NC(=S)N1CCN(CC1)c1ncc2c(n1)n(CC)cc(c2=O)C(=O)O

STK543571
Synonyms: (2E)- 2- (furan- 2- ylmethylidene)- N- methylhydrazinecarbothioamide
Smiles: CNC(=S)N/N=C/c1ccco1

STK841677
Synonyms: prop- 2- en- 1- yl6- [(2- amino- 2- oxoethyl)sulfanyl]- 5- cyano- 4- (4- ethoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)OCC)C#N)SCC(=O)N

STK841681
Synonyms: 3- benzyl- 2- [(E)- 2- (4- fluorophenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Fc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1Cc1ccccc1

STK841682
Synonyms: 1- (1,3- dimethyl- 2,6- dioxo- 7- propyl- 2,3,6,7- tetrahydro- 1H- purin- 8- yl)piperidine- 4- carboxamide
Smiles: CCCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCC(CC1)C(=O)N

STK841683
Synonyms: N- [5- (4- fluorobenzyl)- 1,3- thiazol- 2- yl]tetrahydrofuran- 2- carboxamide
Smiles: O=C(C1CCCO1)Nc1ncc(s1)Cc1ccc(cc1)F

STK543588
Synonyms: 2,2'- (methanediylbis{[4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazole- 5,3- diyl]sulfanediyl})bis[1- (4- chlorophenyl)ethanone]
Smiles: C=CCn1c(nnc1SCC(=O)c1ccc(cc1)Cl)Cc1nnc(n1CC=C)SCC(=O)c1ccc(cc1)Cl

STK841687
Synonyms: 4- chloro- N- {2- [(furan- 2- ylmethyl)amino]- 1,2- dihydroacenaphthylen- 1- yl}benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)NC1c2cccc3c2c(C1NCc1ccco1)ccc3

STK543591
Synonyms: 6- {(2E)- 2- [1- (pyridin- 2- yl)ethylidene]hydrazinyl}[1,2,4]triazolo[4,3- b]pyridazine
Smiles: C/C(=N\Nc1ccc2n(n1)cnn2)/c1ccccn1

STK543594
Synonyms: methyl4- {2- [(2E)- 2- (2- chlorobenzylidene)hydrazinyl]- 2- oxoethoxy}benzoate
Smiles: COC(=O)c1ccc(cc1)OCC(=O)N/N=C/c1ccccc1Cl

STK841690
Synonyms: prop- 2- en- 1- yl5- cyano- 4- (4- hydroxy- 3- methoxyphenyl)- 2- methyl- 6- ({2- [(4- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)C#N)SCC(=O)Nc1ccc(cc1)C

STK841691
Synonyms: 5- methoxy- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenylthiophene- 2- carboxylate
Smiles: COc1ccc(c(c1)OC(=O)c1cccs1)C(=O)/C=C/c1cccs1

STK543601
Synonyms: (2E)- 3- [4- methyl- 3- (morpholin- 4- ylsulfonyl)phenyl]prop- 2- enoicacid
Smiles: OC(=O)/C=C/c1ccc(c(c1)S(=O)(=O)N1CCOCC1)C

STK543606
Synonyms: 5- cyano- 6- ({2- [(2- ethylphenyl)amino]- 2- oxoethyl}sulfanyl)- N- (2- methoxyphenyl)- 2- methyl- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2CC)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1OC)C

STK841695
Synonyms: ethyl6- bromo- 5- hydroxy- 2- (4- methoxyphenyl)- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(O)c(c2)Br)c1ccc(cc1)OC

STK841696
Synonyms: 2- ({5- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 4- methyl- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- [3- (morpholin- 4- yl)propyl]acetamide
Smiles: O=C(CSc1nnc(n1C)CSc1nc2c(s1)cccc2)NCCCN1CCOCC1

STK841698
Synonyms: 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]- 4- methylphenyl2- bromobenzoate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(C)ccc1OC(=O)c1ccccc1Br

STK543612
Synonyms: 2'- (5- methylfuran- 2- yl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Cc1ccc(o1)C1=NN2C(C1)c1ccccc1OC12CCC(CC1)c1ccccc1

STK543618
Synonyms: 5- {4- [(4- bromophenyl)amino]phthalazin- 1- yl}- 2- methyl- N- (pyridin- 3- ylmethyl)benzenesulfonamide
Smiles: Brc1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCc1cccnc1)C

STK841701
Synonyms: N~4~- (furan- 2- ylmethyl)- N~2~- (2- methylphenyl)quinazoline- 2,4- diamine
Smiles: Cc1ccccc1Nc1nc(NCc2ccco2)c2c(n1)cccc2

STK543623
Synonyms: 2- (6- methylpyridin- 2- yl)hexahydro- 4,6- ethenocyclopropa[f]isoindole- 1,3(2H,3aH)- dione
Smiles: O=C1C2C3C=CC(C2C(=O)N1c1cccc(n1)C)C1C3C1

STK543624
Synonyms: ethyl3- {[(3- chlorophenyl)carbamoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)Nc1cccc(c1)Cl)cccc2

STK543627
Synonyms: 2- (ethylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCSc1nc(N)c2c(n1)sc1c2CC(SC1)(C)C

STK543638
Synonyms: 2- {4- [(4- bromophenyl)sulfonyl]piperazin- 1- yl}- N'- [(E)- (2- methylphenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/c1ccccc1C

STK543639
Synonyms: (2E)- 2- cyano- 3- (2- hydroxyphenyl)- N- (6- methylpyridin- 2- yl)prop- 2- enamide
Smiles: N#C/C(=C\c1ccccc1O)/C(=O)Nc1cccc(n1)C

STK841702
Synonyms: propan- 2- yl5- [(4- fluorobenzyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CC(OC(=O)c1c(C)oc2c1cc(OCc1ccc(cc1)F)cc2)C

STK543642
Synonyms: 5- bromo- 2- [(E)- (3,5- dimethyl- 1H- pyrazol- 4- yl)diazenyl]benzoicacid
Smiles: Brc1ccc(c(c1)C(=O)O)/N=N/c1c(C)n[nH]c1C

STK841703
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]quinoline- 8- sulfonamide
Smiles: COc1cc(CCNS(=O)(=O)c2cccc3c2nccc3)ccc1OC

STK841705
Synonyms: ethyl[4- cyano- 5- methyl- 2- oxo- 3- (trifluoromethyl)- 2,3- dihydro- 1H- pyrrol- 3- yl]carbamate
Smiles: CCOC(=O)NC1(C(=O)NC(=C1C#N)C)C(F)(F)F

STK841706
Synonyms: 4- fluoro- 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]phenylfuran- 2- carboxylate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(F)ccc1OC(=O)c1ccco1

STK543653
Synonyms: N- benzyl- 2- (6- methoxy- 2- methyl- 4- oxoquinolin- 1(4H)- yl)acetamide
Smiles: COc1ccc2c(c1)c(=O)cc(n2CC(=O)NCc1ccccc1)C

STK841708
Synonyms: N- [3- (difluoromethoxy)phenyl]- 4- (4- nitrophenyl)piperazine- 1- carbothioamide
Smiles: FC(Oc1cccc(c1)NC(=S)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])F

STK543656
Synonyms: (2E)- 3- (4- fluorophenyl)- 1- [4- (pyridin- 2- yl)piperazin- 1- yl]prop- 2- en- 1- one
Smiles: Fc1ccc(cc1)/C=C/C(=O)N1CCN(CC1)c1ccccn1

STK841710
Synonyms: ethyl2- tert- butyl- 5- [(2- methylbenzyl)oxy]- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccccc3C)ccc2oc1C(C)(C)C

STK841711
Synonyms: 1- (phenylsulfonyl)- N'- [(E)- pyridin- 3- ylmethylidene]piperidine- 3- carbohydrazide
Smiles: O=C(C1CCCN(C1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1

STK841712
Synonyms: 2- [(2E)- 3- (4- chlorophenyl)prop- 2- enoyl]- 5- methoxyphenylbenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccccc1)C(=O)/C=C/c1ccc(cc1)Cl

STK543659
Synonyms: 4- chloro- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenyl3- nitrobenzoate
Smiles: Clc1ccc(c(c1)C(=O)/C=C/c1cccs1)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK543660
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 4- (4- methylphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccccc2Cl)NC2=C(C1c1ccc(cc1)C)C(=O)CCC2

STK543664
Synonyms: 6- hexyl- 7- hydroxy- 3- {2- [(E)- 2- phenylethenyl]- 1,3- thiazol- 4- yl}- 2H- chromen- 2- one
Smiles: CCCCCCc1cc2cc(c3csc(n3)/C=C/c3ccccc3)c(=O)oc2cc1O

STK543665
Synonyms: 5- [3- (3,4- dimethoxyphenyl)- 5- (3- nitrophenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 5- oxopentanoicacid
Smiles: COc1ccc(cc1OC)C1=NN(C(C1)c1cccc(c1)[N+](=O)[O-])C(=O)CCCC(=O)O

STK543669
Synonyms: methyl5- methyl- 3- [(methylcarbamothioyl)amino]- 1H- indole- 2- carboxylate
Smiles: CNC(=S)Nc1c([nH]c2c1cc(C)cc2)C(=O)OC

STK841715
Synonyms: 2- methoxyethyl6- bromo- 5- [2- (4- chlorophenyl)- 2- oxoethoxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCC(=O)c1ccc(cc1)Cl)c(c2)Br

STK543670
Synonyms: 2'- (1,3- benzodioxol- 5- yl)- 1- benzyl- 7'- methoxy- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)Cc1ccccc1)N1C2CC(=N1)c1ccc2c(c1)OCO2

STK841716
Synonyms: 3- amino- N- (3- chloro- 2- methylphenyl)- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CCCC1=O)Nc1cccc(c1C)Cl

STK841717
Synonyms: 4- hydroxy- 2- oxo- 1- propyl- N- (pyridin- 2- yl)- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: CCCn1c2CCCCc2c(c(c1=O)C(=O)Nc1ccccn1)O

STK841718
Synonyms: 3,3,5- trimethyl- 6- oxo- 2- phenyl- 3,6- dihydro- 2H- pyran- 4- yl4- methylbenzenesulfonate
Smiles: Cc1ccc(cc1)S(=O)(=O)OC1=C(C)C(=O)OC(C1(C)C)c1ccccc1

STK543677
Synonyms: 3- bromo- 2,8- dimethylquinolin- 4- ol
Smiles: Cc1nc2c(C)cccc2c(c1Br)O

STK543684
Synonyms: ethyl2- {[3- (azepan- 1- yl)quinoxalin- 2- yl]amino}- 4,5- dimethylthiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCCCCC2)sc(c1C)C

STK543685
Synonyms: 3- amino- 2- [(2- ethylphenyl)carbamoyl]- 6- oxo- 6,7- dihydrothieno[2,3- b]pyridine- 5- carboxylicacid
Smiles: CCc1ccccc1NC(=O)c1sc2c(c1N)cc(c(=O)[nH]2)C(=O)O

STK841721
Synonyms: 1- (4- chlorophenyl)- 2- {[4- phenyl- 5- (3,4,5- trimethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(=O)c1ccc(cc1)Cl

STK543686
Synonyms: 2'- (4- chlorophenyl)- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Clc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)C(C)C

STK543687
Synonyms: 1- ethyl- 6- fluoro- 4- oxo- 7- [4- (phenylcarbamoyl)piperazin- 1- yl]- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=O)Nc1ccccc1)c(c2)F

STK543688
Synonyms: ethyl(2- chlorophenyl)[hydroxy(phenyl)methyl]phosphinate
Smiles: CCOP(=O)(c1ccccc1Cl)C(c1ccccc1)O

STK543690
Synonyms: 3- benzyl- 6- iodo- 2- [(E)- 2- (2- methylphenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1C)Cc1ccccc1

STK543691
Synonyms: 5- chloro- 2- oxo- N- phenyl- 1,3- benzoxazole- 3(2H)- carboxamide
Smiles: Clc1ccc2c(c1)n(C(=O)Nc1ccccc1)c(=O)o2

STK841722
Synonyms: ethyl6- bromo- 5- (3,3- dimethyl- 2- oxobutoxy)- 2- phenyl- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)C(C)(C)C)c(c2)Br)c1ccccc1

STK841723
Synonyms: 4- amino- 2- (ethylamino)- 5- (thiophen- 2- ylcarbonyl)thiophene- 3- carbonitrile
Smiles: CCNc1sc(c(c1C#N)N)C(=O)c1cccs1

STK841724
Synonyms: 3- (2- methoxyphenyl)- 2- [(E)- 2- (5- nitrofuran- 2- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: COc1ccccc1n1c(/C=C/c2ccc(o2)[N+](=O)[O-])nc2c(c1=O)cccc2

STK841725
Synonyms: 2- {[3- (3,4- dichlorophenyl)- 5,6- dimethyl- 4- oxo- 3,4- dihydrothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nc2sc(c(c2c(=O)n1c1ccc(c(c1)Cl)Cl)C)C

STK543699
Synonyms: (4E)- 5- (2,4- dichlorophenyl)- 4- (1- hydroxyethylidene)- 1- (pyridin- 3- ylmethyl)pyrrolidine- 2,3- dione
Smiles: Clc1ccc(c(c1)Cl)C1/C(=C(\O)/C)/C(=O)C(=O)N1Cc1cccnc1

STK543700
Synonyms: 5- oxo- N'- (propan- 2- ylidene)- 4,5- dihydro- 1H- pyrazole- 3- carbohydrazide
Smiles: O=C(C1=NNC(=O)C1)NN=C(C)C

STK543704
Synonyms: 1- (3,5- dimethylpiperidin- 1- yl)- 3- propylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCCc1cc(N2CC(C)CC(C2)C)n2c(c1C#N)nc1c2cccc1

STK543708
Synonyms: 2'- (2,5- dimethylphenyl)- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1cc(C)ccc1C

STK543711
Synonyms: N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- [2- (1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)ethyl]- 4,5- dimethoxybenzenesulfonamide
Smiles: COc1cc(CCn2c(=O)c3cccc4c3c(c2=O)ccc4)c(cc1OC)S(=O)(=O)NC1CCS(=O)(=O)C1

STK841729
Synonyms: methyl5- [2- (4- chlorophenyl)- 2- oxoethoxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COC(=O)c1c(C)oc2c1cc(OCC(=O)c1ccc(cc1)Cl)cc2

STK841731
Synonyms: 2- [(2E)- 3- (2- chlorophenyl)prop- 2- enoyl]- 4- fluorophenyl4- nitrobenzoate
Smiles: Fc1ccc(c(c1)C(=O)/C=C/c1ccccc1Cl)OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK841732
Synonyms: prop- 2- en- 1- yl4- (4- chlorophenyl)- 5- cyano- 2- methyl- 6- ({2- [(2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccccc1C

STK841733
Synonyms: butyl3- amino- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxylate
Smiles: CCCCOC(=O)c1sc2c(c1N)cc1c(n2)CCCC1=O

STK841734
Synonyms: 3- amino- N- (5- chloro- 2- methylphenyl)- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Clc1ccc(c(c1)NC(=O)c1sc2c(c1N)cc1c(n2)CCCC1=O)C

STK543724
Synonyms: ethyl5- methoxy- 3- {[3- (4- methylpiperidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C)cc(cc2)OC

STK543725
Synonyms: 4- [4- (2,3- dimethylphenyl)piperazin- 1- yl]- 7,8- dimethoxy- 5H- pyrimido[5,4- b]indole
Smiles: COc1cc2c(cc1OC)[nH]c1c2ncnc1N1CCN(CC1)c1cccc(c1C)C

STK841736
Synonyms: ethyl2- (4- methoxyphenyl)- 5- {[4- (trifluoromethyl)benzyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccc(cc1)C(F)(F)F)cc2)c1ccc(cc1)OC

STK543729
Synonyms: 3- bromo- 1- benzoselenophene- 2- carboxylicacid
Smiles: OC(=O)c1[se]c2c(c1Br)cccc2

STK543732
Synonyms: 2- [2- (1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)ethyl]- 4,5- dimethoxy- N- (pyridin- 3- ylmethyl)benzenesulfonamide
Smiles: COc1cc(c(cc1OC)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)S(=O)(=O)NCc1cccnc1

STK543736
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)cyclohexylbenzoate
Smiles: Cc1nn(c(c1)C)C1CCCCC1OC(=O)c1ccccc1

STK543744
Synonyms: 5- (4- bromophenyl)- 3- chloro- N- (naphthalen- 1- yl)- 7- (trifluoromethyl)- 4,5,6,7- tetrahydropyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: Brc1ccc(cc1)C1Nc2c(Cl)c(nn2C(C1)C(F)(F)F)C(=O)Nc1cccc2c1cccc2

STK543750
Synonyms: 5- cyano- N- (2- methoxyphenyl)- 2- methyl- 6- ({2- oxo- 2- [(2,4,6- trimethylphenyl)amino]ethyl}sulfanyl)- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)NC(=C(C1c1cccs1)C(=O)Nc1ccccc1OC)C

STK543751
Synonyms: (2E)- 3- [3- (3,4- dihydroisoquinolin- 2(1H)- ylsulfonyl)- 4- methoxyphenyl]prop- 2- enoicacid
Smiles: COc1ccc(cc1S(=O)(=O)N1CCc2c(C1)cccc2)/C=C/C(=O)O

STK543753
Synonyms: 1,5- diethyl- 3,7- dihexanoyl- 3,7- diazabicyclo[3.3.1]nonan- 9- one
Smiles: CCC12CN(CC(C2=O)(CN(C1)C(=O)CCCCC)CC)C(=O)CCCCC

STK841744
Synonyms: benzyl4- methyl- 3- phenyl- 2- thioxo- 2,3- dihydro- 1,3- thiazole- 5- carboxylate
Smiles: O=C(c1sc(=S)n(c1C)c1ccccc1)OCc1ccccc1

STK841745
Synonyms: 4- (1,3- benzodioxol- 5- ylmethyl)- N- (4- chloro- 2- fluorophenyl)piperazine- 1- carbothioamide
Smiles: Clc1ccc(c(c1)F)NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK543756
Synonyms: 4- [4- (4- chlorophenyl)- 5- phenyl- 1H- imidazol- 2- yl]phenol
Smiles: Oc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccc(cc1)Cl

STK841746
Synonyms: 2- [(2E)- 3- (4- chlorophenyl)prop- 2- enoyl]- 5- methoxyphenylthiophene- 2- carboxylate
Smiles: COc1ccc(c(c1)OC(=O)c1cccs1)C(=O)/C=C/c1ccc(cc1)Cl

STK543757
Synonyms: 6- [9- bromo- 2- (2- chlorophenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl]- 2,3- dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccccc1Cl)Br

STK841747
Synonyms: 4- fluoro- 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]phenylthiophene- 2- carboxylate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(F)ccc1OC(=O)c1cccs1

STK543774
Synonyms: 4- bromo- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenyl4- methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1ccc(cc1C(=O)/C=C/c1cccs1)Br

STK543775
Synonyms: 1- (3- chlorophenyl)- 3- [(2- methylpropyl)amino]pyrrolidine- 2,5- dione
Smiles: CC(CNC1CC(=O)N(C1=O)c1cccc(c1)Cl)C

STK543779
Synonyms: N- (butan- 2- yl)- 5,7- diphenylpyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: CCC(NC(=O)c1nn2c(c1)nc(cc2c1ccccc1)c1ccccc1)C

STK543786
Synonyms: (1E,2E)- bis[1- (3- bromo- 4- methoxyphenyl)ethylidene]hydrazine
Smiles: COc1ccc(cc1Br)/C(=N/N=C(/c1ccc(c(c1)Br)OC)\C)/C

STK543792
Synonyms: (8E)- 2- amino- 8- (4- methoxybenzylidene)- 4- (4- methoxyphenyl)- 6- propyl- 5,6,7,8- tetrahydro- 4H- pyrano[3,2- c]pyridine- 3- carbonitrile
Smiles: CCCN1C/C(=C\c2ccc(cc2)OC)/C2=C(C1)C(c1ccc(cc1)OC)C(=C(O2)N)C#N

STK841751
Synonyms: 4- fluoro- 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]phenylbenzoate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(F)ccc1OC(=O)c1ccccc1

STK543796
Synonyms: 1- (4- methylpiperidin- 1- yl)- 3- propylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCCc1cc(N2CCC(CC2)C)n2c(c1C#N)nc1c2cccc1

STK841753
Synonyms: [4- (4- fluorophenyl)piperazin- 1- yl][4- (morpholin- 4- ylsulfonyl)phenyl]methanone
Smiles: O=C(c1ccc(cc1)S(=O)(=O)N1CCOCC1)N1CCN(CC1)c1ccc(cc1)F

STK841755
Synonyms: N~2~- (3- chlorophenyl)- N~4~- (furan- 2- ylmethyl)quinazoline- 2,4- diamine
Smiles: Clc1cccc(c1)Nc1nc(NCc2ccco2)c2c(n1)cccc2

STK543812
Synonyms: N'- [(E)- (5- nitrofuran- 2- yl)methylidene]octanehydrazide
Smiles: [O-][N+](=O)c1ccc(o1)/C=N/NC(=O)CCCCCCC

STK841757
Synonyms: 4- fluoro- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenyl2- bromobenzoate
Smiles: Fc1ccc(c(c1)C(=O)/C=C/c1cccs1)OC(=O)c1ccccc1Br

STK543819
Synonyms: [(5Z)- 5- (2,4- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl](phenyl)aceticacid
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)C(=O)O

STK841760
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[3- cyano- 4- (4- methylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)NC(=O)CC1c1ccc(cc1)C

STK841761
Synonyms: 1- [(2,4- dimethyl- 5- nitrophenyl)sulfonyl]- 2,3- dihydro- 1H- indole
Smiles: Cc1cc(C)c(cc1S(=O)(=O)N1CCc2c1cccc2)[N+](=O)[O-]

STK543820
Synonyms: (2E)- 3- {3- [bis(2- hydroxyethyl)sulfamoyl]- 4- methylphenyl}prop- 2- enoicacid
Smiles: OCCN(S(=O)(=O)c1cc(/C=C/C(=O)O)ccc1C)CCO

STK543822
Synonyms: N- (4- methoxyphenyl)- 2- [(3,6,6- trimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C

STK543823
Synonyms: 2- methyl- 4- (morpholin- 4- yl)- 6H- pyrimido[5,4- b][1,4]oxazin- 7(8H)- one
Smiles: O=C1COc2c(N1)nc(nc2N1CCOCC1)C

STK543828
Synonyms: 3- [(5- acetyl- 2- propoxybenzyl)sulfanyl]propanenitrile
Smiles: CCCOc1ccc(cc1CSCCC#N)C(=O)C

STK841763
Synonyms: 1- [1,3- dimethyl- 2,6- dioxo- 7- (prop- 2- en- 1- yl)- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]piperidine- 4- carboxamide
Smiles: C=CCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCC(CC1)C(=O)N

STK841765
Synonyms: 2- {[3- cyano- 4- (2- fluorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (3- methoxyphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)OC)NC(=O)CC1c1ccccc1F

STK841769
Synonyms: [3- chloro- 5- phenyl- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 2- yl](pyrrolidin- 1- yl)methanone
Smiles: O=C(c1nn2c(c1Cl)nc(cc2C(F)(F)F)c1ccccc1)N1CCCC1

STK543852
Synonyms: 3,3'- methanediylbis{5- [(4- nitrobenzyl)sulfanyl]- 4- phenyl- 4H- 1,2,4- triazole}
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)Cc1nnc(n1c1ccccc1)SCc1ccc(cc1)[N+](=O)[O-]

STK543853
Synonyms: 3- [(3Z)- 2- (4- chlorophenyl)- 3- (1- hydroxyethylidene)- 4,5- dioxopyrrolidin- 1- yl]propanoicacid
Smiles: OC(=O)CCN1C(=O)C(=O)/C(=C(\O)/C)/C1c1ccc(cc1)Cl

STK841773
Synonyms: N~4~- benzyl- N~2~- (4- methylphenyl)quinazoline- 2,4- diamine
Smiles: Cc1ccc(cc1)Nc1nc(NCc2ccccc2)c2c(n1)cccc2

STK841774
Synonyms: 2,2- dichloro- N- (4- methoxyphenyl)- 1- phenylcyclopropanecarboxamide
Smiles: COc1ccc(cc1)NC(=O)C1(CC1(Cl)Cl)c1ccccc1

STK543855
Synonyms: 4- (5- chloro- 2- propoxybenzyl)morpholine
Smiles: CCCOc1ccc(cc1CN1CCOCC1)Cl

STK543861
Synonyms: (5Z)- 3- (3- hydroxyphenyl)- 5- (pyridin- 4- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Oc1cccc(c1)N1C(=S)S/C(=C\c2ccncc2)/C1=O

STK543863
Synonyms: 4- methyl- 2- (3- methyl- 5- phenyl- 1H- pyrazol- 1- yl)quinoline
Smiles: Cc1cc(n(n1)c1cc(C)c2c(n1)cccc2)c1ccccc1

STK543868
Synonyms: (2E,5Z)- 2- [(2,4- dichlorophenyl)imino]- 5- (pyridin- 3- ylmethylidene)- 1,3- thiazolidin- 4- one
Smiles: Clc1ccc(c(c1)Cl)/N=C/1\NC(=O)/C(=C/c2cccnc2)/S1

STK543869
Synonyms: (2E)- 3- (2- fluorophenyl)- 1- (2- hydroxy- 5- methylphenyl)prop- 2- en- 1- one
Smiles: Cc1ccc(c(c1)C(=O)/C=C/c1ccccc1F)O

STK543876
Synonyms: N- benzyl- 4- hydroxy- 2- oxo- 1- propyl- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: CCCn1c2CCCCc2c(c(c1=O)C(=O)NCc1ccccc1)O

STK543878
Synonyms: 2- {[3- (3- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)n1c(SCC(=O)N)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK841779
Synonyms: 1- (3- nitrophenyl)- 2- {[4- (prop- 2- en- 1- yl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: C=CCn1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1c1ccncc1

STK543888
Synonyms: (6aS,6bR,9aS,10R)- 10- (1H- benzotriazol- 1- ylcarbonyl)- 8- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C1N(c2ccc3c(c2)OCCO3)C(=O)[C@@H]2[C@H]1[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2

STK543891
Synonyms: 2- {[3- cyano- 4- (2,3- dichlorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (4- fluorophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CCC2

STK841782
Synonyms: 3- amino- 2- [(4- methoxyphenyl)carbonyl]- 7,8- dihydrothieno[2,3- b]quinolin- 5(6H)- one
Smiles: COc1ccc(cc1)C(=O)c1sc2c(c1N)cc1c(n2)CCCC1=O

STK543896
Synonyms: 3- hydroxy- N- [(5Z)- 4- oxo- 5- (pyridin- 3- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: Oc1cccc(c1)C(=O)NN1C(=S)S/C(=C\c2cccnc2)/C1=O

STK841784
Synonyms: 5- (2,3- dimethoxyphenyl)- 1- (methylsulfonyl)- 3- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazole
Smiles: COc1c(OC)cccc1C1CC(=NN1S(=O)(=O)C)c1cccs1

STK543897
Synonyms: 8- bromo- 4- [4- (4- fluorophenyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: Fc1ccc(cc1)N1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)Br

STK543899
Synonyms: 4,4- dimethyl- 2,6- bis(2- methylphenyl)- 3,5- dinitropiperidine
Smiles: [O-][N+](=O)C1C(NC(C(C1(C)C)[N+](=O)[O-])c1ccccc1C)c1ccccc1C

STK841785
Synonyms: prop- 2- en- 1- yl5- cyano- 4- (2- methoxyphenyl)- 2- methyl- 6- (methylsulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1OC)C#N)SC

STK543907
Synonyms: 2,2- dimethyl- 2'- (naphthalen- 1- yl)- 1',2,3,5,6,10b'- hexahydrospiro[pyran- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CC1(C)OCCC2(C1)Oc1ccccc1C1N2N=C(C1)c1cccc2c1cccc2

STK543908
Synonyms: (5Z)- 3- (2- methylphenyl)- 5- [4- (octyloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccccc1C

STK841790
Synonyms: ethyl2- (4- methoxyphenyl)- 5- [(4- nitrobenzyl)oxy]- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccc(cc1)[N+](=O)[O-])cc2)c1ccc(cc1)OC

STK841792
Synonyms: 8- [benzyl(2- hydroxyethyl)amino]- 7- (2- chlorobenzyl)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCN(c1nc2c(n1Cc1ccccc1Cl)c(=O)[nH]c(=O)n2C)Cc1ccccc1

STK841793
Synonyms: 4- fluoro- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenylmorpholine- 4- carboxylate
Smiles: Fc1ccc(c(c1)C(=O)/C=C/c1cccs1)OC(=O)N1CCOCC1

STK543917
Synonyms: 2,2'- {methanediylbis[(4- phenyl- 4H- 1,2,4- triazole- 5,3- diyl)sulfanediylpropane- 3,1- diyl]}bis(1H- isoindole- 1,3(2H)- dione)
Smiles: O=C1N(CCCSc2nnc(n2c2ccccc2)Cc2nnc(n2c2ccccc2)SCCCN2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2

STK841795
Synonyms: 3,6- diamino- 4- (4- methoxyphenyl)- 2- [(4- methoxyphenyl)carbonyl]thieno[2,3- b]pyridine- 5- carbonitrile
Smiles: COc1ccc(cc1)C(=O)c1sc2c(c1N)c(c1ccc(cc1)OC)c(c(n2)N)C#N

STK543932
Synonyms: methyl3- [(cyclohexylcarbamoyl)amino]- 5- methyl- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)NC1CCCCC1)cc(cc2)C

STK543935
Synonyms: 2- (5- bromo- 2,4- dimethoxyphenyl)- 4,5- bis(4- fluorophenyl)- 1H- imidazole
Smiles: COc1cc(OC)c(cc1Br)c1[nH]c(c(n1)c1ccc(cc1)F)c1ccc(cc1)F

STK543937
Synonyms: 2- [(5- {[(6- ethoxy- 1,3- benzothiazol- 2- yl)sulfanyl]methyl}- 4- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- 1- (4- fluorophenyl)ethanone
Smiles: CCOc1ccc2c(c1)sc(n2)SCc1nnc(n1c1ccccc1)SCC(=O)c1ccc(cc1)F

STK543940
Synonyms: N- (3,4- dichlorophenyl)- 4- (morpholin- 4- yl)quinazolin- 2- amine
Smiles: Clc1ccc(cc1Cl)Nc1nc2ccccc2c(n1)N1CCOCC1

STK543946
Synonyms: (4- chlorophenyl)(1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)methanone
Smiles: Clc1ccc(cc1)C(=O)N1CCc2c(C1)c1ccccc1[nH]2

STK543948
Synonyms: N~4~- benzyl- N~2~- (3- methylphenyl)quinazoline- 2,4- diamine
Smiles: Cc1cccc(c1)Nc1nc(NCc2ccccc2)c2c(n1)cccc2

STK841799
Synonyms: 8- {[4- (2- methoxyphenyl)piperazin- 1- yl]sulfonyl}quinoline
Smiles: COc1ccccc1N1CCN(CC1)S(=O)(=O)c1cccc2c1nccc2

STK543955
Synonyms: prop- 2- en- 1- yl6- ({2- [(5- chloro- 2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 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)Nc1cc(Cl)ccc1C

STK841800
Synonyms: ethyl5- [(4- chlorobenzyl)oxy]- 2- (4- methoxyphenyl)- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccc(cc1)Cl)cc2)c1ccc(cc1)OC

STK841802
Synonyms: 2- methoxyethyl5- {[(4- fluorophenyl)carbonyl]oxy}- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1ccc(cc1)F

STK543962
Synonyms: 2- (8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)- N'- [(E)- (5- nitrofuran- 2- yl)methylidene]acetohydrazide
Smiles: O=C(CN1CCn2c3C1CCCc3c1c2ccc(c1)C)N/N=C/c1ccc(o1)[N+](=O)[O-]

STK543963
Synonyms: 2- ({5- [3- (1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)propyl]- 4- phenyl- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- methoxyethyl)acetamide
Smiles: COCCNC(=O)CSc1nnc(n1c1ccccc1)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK543966
Synonyms: (4Z)- 4- (1- hydroxyethylidene)- 1- (4- methylphenyl)- 5- phenylpyrrolidine- 2,3- dione
Smiles: Cc1ccc(cc1)N1C(c2ccccc2)/C(=C(/O)\C)/C(=O)C1=O

STK841804
Synonyms: ethyl2- ({[(5- {[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]methyl}- 1,3,4- oxadiazol- 2- yl)sulfanyl]acetyl}amino)- 4,5- dimethylthiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nnc(o2)CSc2nc(C)cc(n2)C)sc(c1C)C

STK543970
Synonyms: 1- benzyl- 2'- (2,5- dimethylphenyl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Cc1ccc(c(c1)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)Cc1ccccc1)C

STK543980
Synonyms: 4- [5- (2- chloro- 6- methoxyquinolin- 3- yl)- 3- (3,4- dimethoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 4- oxobutanoicacid
Smiles: COc1ccc2c(c1)cc(c(n2)Cl)C1CC(=NN1C(=O)CCC(=O)O)c1ccc(c(c1)OC)OC

STK841811
Synonyms: 2- methoxyethyl6- bromo- 5- hydroxy- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: Cc1oc2c(c1C(=O)OCCOC)cc(c(c2)Br)O

STK543990
Synonyms: 9'- bromo- 2'- (4- methoxyphenyl)- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccc(cc1)OC)Br

STK841816
Synonyms: 2- (4- chloropyridin- 2- yl)- 3a,4,7,7a- tetrahydro- 1H- 4,7- methanoisoindole- 1,3(2H)- dione
Smiles: O=C1C2C3C=CC(C2C(=O)N1c1nccc(c1)Cl)C3

STK543994
Synonyms: (2E)- 3- [4- methyl- 3- (piperidin- 1- ylsulfonyl)phenyl]prop- 2- enoicacid
Smiles: OC(=O)/C=C/c1ccc(c(c1)S(=O)(=O)N1CCCCC1)C

STK543995
Synonyms: 2- {[2- (morpholin- 4- ylcarbonyl)- 1,2,3,4- tetrahydroisoquinolin- 1- yl]methyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C(N1CCc2c(C1CN1C(=O)c3c(C1=O)cccc3)cccc2)N1CCOCC1

STK841817
Synonyms: 3- (3- chloro- 4- methoxyphenyl)- 5,6- dihydroimidazo[2,1- b][1,3]thiazole
Smiles: COc1ccc(cc1Cl)c1csc2=NCCn12

STK543997
Synonyms: 1- (4- methoxyphenyl)octahydroisoquinolin- 4a(2H)- ol
Smiles: COc1ccc(cc1)C1NCCC2(C1CCCC2)O

STK543998
Synonyms: (2Z)- 3- (1H- benzotriazol- 1- yl)- 2- (tert- butylimino)- 4- hydroxynaphthalen- 1(2H)- one
Smiles: O=C1c2ccccc2C(=C(/C/1=N/C(C)(C)C)n1nnc2c1cccc2)O

STK544000
Synonyms: 2- [4- (benzyloxy)- 3- methoxyphenyl]- 5- (4- chlorophenyl)- 4- phenyl- 1H- imidazole
Smiles: COc1cc(ccc1OCc1ccccc1)c1[nH]c(c(n1)c1ccccc1)c1ccc(cc1)Cl

STK841820
Synonyms: 3- benzyl- 6- iodo- 2- [(E)- 2- phenylethenyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1)Cc1ccccc1

STK544001
Synonyms: (5Z)- 3- (3- methoxyphenyl)- 5- [4- (octyloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)OC

STK544003
Synonyms: 1- [(2,6- difluorobenzyl)oxy]- 3- (furan- 2- yl)quinoxalin- 2(1H)- one4- oxide
Smiles: Fc1cccc(c1COn1c(=O)c(c2ccco2)[n+](c2c1cccc2)[O-])F

STK841822
Synonyms: 2- {[4- (3- bromophenyl)- 3- cyano- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)OC)NC(=O)CC1c1cccc(c1)Br

STK544010
Synonyms: 2- {[4- chloro- 6- (hexylamino)- 1,3,5- triazin- 2- yl]amino}- 2- methylpropan- 1- ol
Smiles: CCCCCCNc1nc(Cl)nc(n1)NC(CO)(C)C

STK841825
Synonyms: 1- (furan- 2- ylmethyl)- 4- hydroxy- N- [4- (6- methyl- 1,3- benzothiazol- 2- yl)phenyl]- 2- oxo- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: Cc1ccc2c(c1)sc(n2)c1ccc(cc1)NC(=O)c1c(O)c2CCCCc2n(c1=O)Cc1ccco1

STK841826
Synonyms: N- [(5Z)- 5- (1H- indol- 3- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2- nitrobenzamide
Smiles: S=C1S/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1NC(=O)c1ccccc1[N+](=O)[O-]

STK841827
Synonyms: N- (4- methoxyphenyl)- 4- (morpholin- 4- yl)quinazolin- 2- amine
Smiles: COc1ccc(cc1)Nc1nc2ccccc2c(n1)N1CCOCC1

STK544018
Synonyms: 2'- (1,3- benzodioxol- 5- yl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: c1ccc(cc1)C1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)OCO2

STK544021
Synonyms: prop- 2- en- 1- yl6- ({2- [(5- chloro- 2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 2- methyl- 4- [2- (trifluoromethyl)phenyl]- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1C(F)(F)F)C#N)SCC(=O)Nc1cc(Cl)ccc1C

STK544023
Synonyms: 2,2'- (methanediylbis{[4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazole- 5,3- diyl]sulfanediyl})bis(1- phenylethanone)
Smiles: C=CCn1c(nnc1SCC(=O)c1ccccc1)Cc1nnc(n1CC=C)SCC(=O)c1ccccc1

STK544037
Synonyms: (5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 3- (3- hydroxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)O

STK544039
Synonyms: (E)- [(4E)- 2- ethyl- 4- [(4- methoxyphenyl)imino]- 1,1- dioxido- 2H- 1,2- benzothiazin- 3(4H)- ylidene](phenyl)methanol
Smiles: COc1ccc(cc1)/N=C\1/C(=C(/c2ccccc2)\O)/N(CC)S(=O)(=O)c2c1cccc2

STK841829
Synonyms: methyl4- ({[(4- oxo- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1[nH]c(=O)c2c(n1)sc1c2CCC1

STK841830
Synonyms: (5Z)- 3- (4- hydroxyphenyl)- 5- (1H- indol- 3- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Oc1ccc(cc1)N1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O

STK841831
Synonyms: 9- [(benzyloxy)methyl]- 3- methyl- 9H- carbazole
Smiles: Cc1ccc2c(c1)c1ccccc1n2COCc1ccccc1

STK544046
Synonyms: 9'- bromo- 2,2- dimethyl- 2'- phenyl- 1',2,3,5,6,10b'- hexahydrospiro[pyran- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCOC(C1)(C)C)c1ccccc1

STK544047
Synonyms: ethyl(2Z)- 3- [4- (4- benzylpiperazin- 1- yl)phenyl]- 2- cyanoprop- 2- enoate
Smiles: CCOC(=O)/C(=C\c1ccc(cc1)N1CCN(CC1)Cc1ccccc1)/C#N

STK544052
Synonyms: 8- ethyl- 2- {4- [(2- methylphenyl)carbamothioyl]piperazin- 1- yl}- 5- oxo- 5,8- dihydropyrido[2,3- d]pyrimidine- 6- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)Nc1ccccc1C

STK841834
Synonyms: 5- [4- (benzylamino)phthalazin- 1- yl]- 2- methyl- N- (pyridin- 3- ylmethyl)benzenesulfonamide
Smiles: Cc1ccc(cc1S(=O)(=O)NCc1cccnc1)c1nnc(c2c1cccc2)NCc1ccccc1

STK841836
Synonyms: (5aS)- 10- bromo- 5a- methyl- 3,5a,6,11b- tetrahydro- 2H,5H- chromeno[4',3':4,5]thiopyrano[2,3- d][1,3]thiazol- 2- one
Smiles: Brc1ccc2c(c1)C1c3sc(=O)[nH]c3SC[C@@]1(CO2)C

STK544054
Synonyms: 3,4,5- trimethyl- 2,6- diphenylpiperidin- 4- ol
Smiles: CC1C(NC(C(C1(C)O)C)c1ccccc1)c1ccccc1

STK841838
Synonyms: ethylN- {4- chloro- 6- [(4- chlorophenyl)amino]- 1,3,5- triazin- 2- yl}glycinate
Smiles: CCOC(=O)CNc1nc(Nc2ccc(cc2)Cl)nc(n1)Cl

STK544055
Synonyms: (4Z)- 4- (1- hydroxyethylidene)- 5- (3- methoxyphenyl)- 1- [3- (morpholin- 4- yl)propyl]pyrrolidine- 2,3- dione
Smiles: COc1cccc(c1)C1N(CCCN2CCOCC2)C(=O)C(=O)/C/1=C(\O)/C

STK544056
Synonyms: 2- [4- (4- chlorobenzyl)piperazin- 1- yl]- N'- [(E)- (2,3,4- trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1c(/C=N/NC(=O)CN2CCN(CC2)Cc2ccc(cc2)Cl)ccc(c1OC)OC

STK841839
Synonyms: 3- benzyl- 7- methylthieno[3,2- d]pyrimidin- 4(3H)- one
Smiles: Cc1csc2c1ncn(c2=O)Cc1ccccc1

STK544066
Synonyms: 3- [(3- bromo- 4- methoxybenzyl)sulfanyl]- 5- methyl- 4H- 1,2,4- triazol- 4- amine
Smiles: COc1ccc(cc1Br)CSc1nnc(n1N)C

STK841843
Synonyms: 2- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]- 4- fluorophenyl4- nitrobenzoate
Smiles: COc1ccc(cc1OC)/C=C/C(=O)c1cc(F)ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK544072
Synonyms: 2- [(3Z)- 3- (6- benzyl- 3,7- dioxo- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazin- 2(3H)- ylidene)- 2- oxo- 2,3- dihydro- 1H- indol- 1- yl]acetamide
Smiles: NC(=O)CN1C(=O)/C(=c/2\sc3n(c2=O)nc(c(=O)n3)Cc2ccccc2)/c2c1cccc2

STK544074
Synonyms: 1- (4- fluorophenyl)- 4- (4- phenylpiperazin- 1- yl)butan- 1- one
Smiles: Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccc1

STK841847
Synonyms: 4- bromo- 2- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]phenylfuran- 2- carboxylate
Smiles: COc1ccc(cc1OC)/C=C/C(=O)c1cc(Br)ccc1OC(=O)c1ccco1

STK841848
Synonyms: 2- (2,6- dichlorophenyl)- 2,3- dihydro- 1H- perimidine
Smiles: Clc1cccc(c1C1Nc2cccc3c2c(N1)ccc3)Cl

STK841849
Synonyms: (5Z)- 3- (3,5- dichlorophenyl)- 5- (1H- indol- 3- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Clc1cc(Cl)cc(c1)N1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O

STK841850
Synonyms: 5- methoxy- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenyl2- methylbenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccccc1C)C(=O)/C=C/c1cccs1

STK841851
Synonyms: N- (4- ethoxyphenyl)- 4- (morpholin- 4- yl)quinazolin- 2- amine
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2c(n1)N1CCOCC1

STK544082
Synonyms: ethyl3- (4- bromophenyl)- 7- {[(5- ethoxy- 2- phenyl- 1- benzofuran- 3- yl)carbonyl]oxy}- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(ccc2c(=O)c1c1ccc(cc1)Br)OC(=O)c1c(oc2c1cc(OCC)cc2)c1ccccc1

STK841852
Synonyms: 3,6- diamino- 4- (4- ethoxyphenyl)- 2- [(4- methoxyphenyl)carbonyl]thieno[2,3- b]pyridine- 5- carbonitrile
Smiles: CCOc1ccc(cc1)c1c(C#N)c(N)nc2c1c(N)c(s2)C(=O)c1ccc(cc1)OC

STK841853
Synonyms: 1- phenyl- 2- {[4- phenyl- 5- (3,4,5- trimethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(=O)c1ccccc1

STK544088
Synonyms: 1- {[3,3,4,4,5,5- hexafluoro- 2- (trifluoromethyl)cyclopent- 1- en- 1- yl]sulfanyl}pyrrolidine- 2,5- dione
Smiles: O=C1CCC(=O)N1SC1=C(C(F)(F)F)C(C(C1(F)F)(F)F)(F)F

STK544095
Synonyms: 5- [(3- bromobenzyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylicacid
Smiles: Brc1cccc(c1)COc1ccc2c(c1)c(C(=O)O)c(o2)C

STK544101
Synonyms: 2- [5- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 4,5- dihydro- 1H- pyrazol- 3- yl]- 4- fluorophenol
Smiles: Fc1ccc(c(c1)C1=NNC(C1)c1ccc2c(c1)OCCO2)O

STK841859
Synonyms: [3,5- bis(3,4- dimethoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl](phenyl)methanone
Smiles: COc1ccc(cc1OC)C1=NN(C(C1)c1ccc(c(c1)OC)OC)C(=O)c1ccccc1

STK544111
Synonyms: ethyl2- (4- methoxyphenyl)- 5- {[(4- methylphenyl)carbonyl]oxy}- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1ccc(cc1)C)c1ccc(cc1)OC

STK544116
Synonyms: 8- chloro- N- (3- chlorophenyl)- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indole- 2- carboxamide
Smiles: Clc1cccc(c1)NC(=O)N1CCc2c(C1)c1cc(Cl)ccc1[nH]2

STK841866
Synonyms: 7- [(2- chloro- 6- fluorobenzyl)oxy]- 3- (quinolin- 2- yl)- 2H- chromen- 2- one
Smiles: Fc1cccc(c1COc1ccc2c(c1)oc(=O)c(c2)c1ccc2c(n1)cccc2)Cl

STK841867
Synonyms: N- {2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- 1,2- dihydroacenaphthylen- 1- yl}benzenesulfonamide
Smiles: Cn1cnnc1SC1c2cccc3c2c(C1NS(=O)(=O)c1ccccc1)ccc3

STK841868
Synonyms: 1- benzyl- 2- methyl- 8- phenyl- 1,5,6,7- tetrahydrocyclopenta[b]pyrrolo[2,3- e]pyridine- 3- carboxamide
Smiles: NC(=O)c1c2nc3CCCc3c(c2n(c1C)Cc1ccccc1)c1ccccc1

STK544121
Synonyms: 3,3'- {ethane- 1,2- diylbis[sulfanediyl(4- phenyl- 4H- 1,2,4- triazole- 5,3- diyl)]}dipyridine
Smiles: c1ccc(cc1)n1c(SCCSc2nnc(n2c2ccccc2)c2cccnc2)nnc1c1cccnc1

STK544125
Synonyms: {[6,6- dimethyl- 4- oxo- 3- (2- phenylethyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}aceticacid
Smiles: OC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C

STK841874
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 4- (1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)butanamide
Smiles: COc1cc(CCNC(=O)CCCn2c(=O)c3cccc4c3c(c2=O)ccc4)ccc1OC

STK544134
Synonyms: 6- {2- [2- (difluoromethoxy)phenyl]- 7- methoxy- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl}- 2,3- dimethoxybenzoicacid
Smiles: COc1cccc2c1OC(N1C2CC(=N1)c1ccccc1OC(F)F)c1ccc(c(c1C(=O)O)OC)OC

STK544141
Synonyms: (4Z)- 5- (2- fluorophenyl)- 4- (1- hydroxyethylidene)- 1- (hydroxymethyl)pyrrolidine- 2,3- dione
Smiles: OCN1C(=O)C(=O)/C(=C(\O)/C)/C1c1ccccc1F

STK544142
Synonyms: (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methylN- [(4- butoxyphenyl)acetyl]glycinate
Smiles: CCCCOc1ccc(cc1)CC(=O)NCC(=O)OCN1C(=O)c2c(C1=O)cccc2

STK544143
Synonyms: 8- ethyl- 5- oxo- 2- [4- (phenylcarbamoyl)piperazin- 1- yl]- 5,8- dihydropyrido[2,3- d]pyrimidine- 6- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=O)Nc1ccccc1

STK544145
Synonyms: 2- [(5Z)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- methylbutanoicacid
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C(C)C

STK841878
Synonyms: 1- methyl- 2- (2,4,5- trimethoxyphenyl)- 1H- imidazo[4,5- c]pyridine
Smiles: COc1cc(OC)c(cc1c1nc2c(n1C)ccnc2)OC

STK544150
Synonyms: 2- cyclopentyl- 2- phenylacetamide
Smiles: NC(=O)C(c1ccccc1)C1CCCC1

STK841879
Synonyms: 4- fluoro- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenyl2- methoxybenzoate
Smiles: COc1ccccc1C(=O)Oc1ccc(cc1C(=O)/C=C/c1cccs1)F

STK841881
Synonyms: 2- (1H- benzotriazol- 1- yl)- 3- (methylamino)naphthalene- 1,4- dione
Smiles: CNC1=C(C(=O)c2c(C1=O)cccc2)n1nnc2c1cccc2

STK544160
Synonyms: 3- benzyl- 2- [(E)- 2- (4- fluorophenyl)ethenyl]- 6- iodoquinazolin- 4(3H)- one
Smiles: Fc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1Cc1ccccc1)I

STK544162
Synonyms: 4- [(E)- {2- [(1,3- benzoxazol- 2- ylsulfanyl)acetyl]hydrazinylidene}methyl]- 2,6- dimethoxyphenylacetate
Smiles: COc1cc(/C=N/NC(=O)CSc2nc3c(o2)cccc3)cc(c1OC(=O)C)OC

STK544163
Synonyms: ethyl5- fluoro- 3- {[(prop- 2- en- 1- yloxy)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)OCC=C)c2c([nH]1)ccc(c2)F

STK544167
Synonyms: 2,2'- {[4,4'- di(prop- 2- en- 1- yl)- 4H,4'H- 3,3'- bi- 1,2,4- triazole- 5,5'- diyl]bis(sulfanediylpropane- 3,1- diyl)}bis(1H- isoindole- 1,3(2H)- dione)
Smiles: C=CCn1c(SCCCN2C(=O)c3c(C2=O)cccc3)nnc1c1nnc(n1CC=C)SCCCN1C(=O)c2c(C1=O)cccc2

STK841886
Synonyms: 4- chloro- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenyl3- methoxybenzoate
Smiles: COc1cccc(c1)C(=O)Oc1ccc(cc1C(=O)/C=C/c1cccs1)Cl

STK841887
Synonyms: ethyl5- [2- (4- chlorophenyl)- 2- oxoethoxy]- 2- (4- methoxyphenyl)- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)c1ccc(cc1)Cl)cc2)c1ccc(cc1)OC

STK841888
Synonyms: 2- [(2E)- 3- (2- chlorophenyl)prop- 2- enoyl]- 5- methoxyphenylfuran- 2- carboxylate
Smiles: COc1ccc(c(c1)OC(=O)c1ccco1)C(=O)/C=C/c1ccccc1Cl

STK544170
Synonyms: prop- 2- en- 1- yl5- cyano- 6- ({2- [(2,4- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 4- (4- methylphenyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccc(cc1C)C

STK544171
Synonyms: 3- (4- bromophenyl)- 2- methyl- 4- oxo- 4H- chromen- 7- yl5- (acetyloxy)- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CC(=O)Oc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)oc(c(c3=O)c1ccc(cc1)Br)C)c(o2)C

STK544182
Synonyms: 4- hydroxy- 2- oxo- N- (pyridin- 4- yl)- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: O=C(c1c(=O)[nH]c2c(c1O)CCCC2)Nc1ccncc1

STK841889
Synonyms: 2,3- diethoxy- 6- methyl- 6H- indolo[2,3- b]quinoxaline
Smiles: CCOc1cc2nc3n(C)c4c(c3nc2cc1OCC)cccc4

STK841890
Synonyms: 4- [2- (1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)ethyl]- N- (4- methylphenyl)piperazine- 1- carbothioamide
Smiles: Cc1ccc(cc1)NC(=S)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK544185
Synonyms: 8- fluoro- N- [3- (morpholin- 4- yl)propyl]- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: Fc1ccc2c(c1)c1ncnc(c1[nH]2)NCCCN1CCOCC1

STK544191
Synonyms: N- [(1Z)- 1- (4- nitrophenyl)ethylidene]- 4- (pyridin- 2- yl)piperazin- 1- amine
Smiles: C/C(=N/N1CCN(CC1)c1ccccn1)/c1ccc(cc1)[N+](=O)[O-]

STK544193
Synonyms: (5Z)- 5- (2,4- dimethoxybenzylidene)- 3- (3- methoxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1ccc(c(c1)OC)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)OC

STK841895
Synonyms: propan- 2- yl5- {[(2- bromophenyl)carbonyl]oxy}- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CC(OC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1ccccc1Br)C

STK841896
Synonyms: 2- (4- methylphenyl)- N- [2- (morpholin- 4- yl)ethyl]quinazolin- 4- amine
Smiles: Cc1ccc(cc1)c1nc(NCCN2CCOCC2)c2c(n1)cccc2

STK544202
Synonyms: N- [(2- hydroxyquinolin- 3- yl)methyl]- 3- methyl- N- (2- methylphenyl)benzamide
Smiles: Cc1cccc(c1)C(=O)N(c1ccccc1C)Cc1cc2ccccc2nc1O

STK544203
Synonyms: 6- [(2E)- 2- (pyridin- 2- ylmethylidene)hydrazinyl][1,2,4]triazolo[4,3- b]pyridazine
Smiles: c1ccc(nc1)/C=N/Nc1ccc2n(n1)cnn2

STK841902
Synonyms: 2- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]- 5- methoxyphenylthiophene- 2- carboxylate
Smiles: COc1ccc(c(c1)OC(=O)c1cccs1)C(=O)/C=C/c1ccc(c(c1)OC)OC

STK544209
Synonyms: ethyl({3- [4- (decyloxy)phenyl]- 4- oxido- 2- oxoquinoxalin- 1(2H)- yl}oxy)acetate
Smiles: CCCCCCCCCCOc1ccc(cc1)c1[n+]([O-])c2ccccc2n(c1=O)OCC(=O)OCC

STK841904
Synonyms: 4- bromo- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenyl4- nitrobenzoate
Smiles: Brc1ccc(c(c1)C(=O)/C=C/c1cccs1)OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK544211
Synonyms: 2- {[2- (ethoxycarbonyl)- 5- fluoro- 1H- indol- 3- yl]carbamoyl}benzoicacid
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1ccccc1C(=O)O)cc(cc2)F

STK841906
Synonyms: N'- [(1Z)- 1- (thiophen- 2- yl)ethylidene]pyrazine- 2- carbohydrazide
Smiles: O=C(c1cnccn1)N/N=C(\c1cccs1)/C

STK544214
Synonyms: ethyl3- [(cyclohexylcarbamothioyl)amino]- 5- fluoro- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=S)NC1CCCCC1)cc(cc2)F

STK841907
Synonyms: 2- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]- 4- fluorophenyl3,4- dimethoxybenzoate
Smiles: COc1ccc(cc1OC)/C=C/C(=O)c1cc(F)ccc1OC(=O)c1ccc(c(c1)OC)OC

STK841908
Synonyms: (2E)- 1- (5- bromo- 2- hydroxyphenyl)- 3- (2- methoxyphenyl)prop- 2- en- 1- one
Smiles: COc1ccccc1/C=C/C(=O)c1cc(Br)ccc1O

STK544219
Synonyms: (3aR,4S,9aR,9bS)- 2- (4- methoxyphenyl)- 1,3- dioxo- 4- (phenylcarbonyl)- 2,3,3a,4,9a,9b- hexahydro- 1H- pyrrolo[3,4- a]indolizine- 8- carbonitrile
Smiles: N#CC1=C[C@H]2N(C=C1)[C@@H]([C@H]1[C@@H]2C(=O)N(C1=O)c1ccc(cc1)OC)C(=O)c1ccccc1

STK544224
Synonyms: 3- bromo- 5- ({4- [hydroxy(diphenyl)methyl]piperidin- 1- yl}carbonyl)- 2H- pyran- 2- one
Smiles: O=C(c1coc(=O)c(c1)Br)N1CCC(CC1)C(c1ccccc1)(c1ccccc1)O

STK544225
Synonyms: 1,1'- (1,5- diethyl- 9- hydroxy- 3,7- diazabicyclo[3.3.1]nonane- 3,7- diyl)dipropan- 1- one
Smiles: CCC12CN(CC(C2O)(CN(C1)C(=O)CC)CC)C(=O)CC

STK841911
Synonyms: 4- chloro- 2- [(2E)- 3- (4- fluorophenyl)prop- 2- enoyl]phenyl4- nitrobenzoate
Smiles: Clc1ccc(c(c1)C(=O)/C=C/c1ccc(cc1)F)OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK841913
Synonyms: methyl[5,6- dimethyl- 4- oxo- 2- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}thieno[2,3- d]pyrimidin- 3(4H)- yl]acetate
Smiles: COC(=O)Cn1c(SC/C=C/c2ccccc2)nc2c(c1=O)c(C)c(s2)C

STK544229
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- 8- fluoro- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: Fc1ccc2c(c1)c1ncnc(c1[nH]2)NCCC1=CCCCC1

STK841916
Synonyms: 2- [(2E)- 3- (2- fluorophenyl)prop- 2- enoyl]- 5- methoxyphenyl2- bromobenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccccc1Br)C(=O)/C=C/c1ccccc1F

STK544231
Synonyms: 4- {[(1E,2Z)- 3- (2,4- dimethoxyphenyl)- 3- hydroxyprop- 2- en- 1- ylidene]amino}benzenesulfonamide
Smiles: COc1ccc(c(c1)OC)/C(=C/C=N/c1ccc(cc1)S(=O)(=O)N)/O

STK544233
Synonyms: (4Z)- 4- [ethoxy(hydroxy)methylidene]- 5- (4- fluorophenyl)- 1- (4- methylphenyl)pyrrolidine- 2,3- dione
Smiles: CCO/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)c1ccc(cc1)C)/O

STK841922
Synonyms: prop- 2- en- 1- yl5- cyano- 6- ({2- [(2,5- dimethylphenyl)amino]- 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)Nc1cc(C)ccc1C

STK841923
Synonyms: N- [4- ({[4- (prop- 2- en- 1- yl)- 5- (thiophen- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)phenyl]benzenesulfonamide
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)NS(=O)(=O)c2ccccc2)nnc1c1cccs1

STK841924
Synonyms: 3- ethyl- 6- iodo- 2- [(E)- 2- (pyridin- 3- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: CCn1c(/C=C/c2cccnc2)nc2c(c1=O)cc(cc2)I

STK544246
Synonyms: 4- (4- {[(2E)- 3- phenylprop- 2- en- 1- yl]oxy}but- 2- yn- 1- yl)morpholine
Smiles: O(CC#CCN1CCOCC1)C/C=C/c1ccccc1

STK544247
Synonyms: 4- (1- benzyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazin]- 2'- yl)- 2- methoxyphenol
Smiles: COc1cc(ccc1O)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)Cc1ccccc1

STK544252
Synonyms: methyl4,5- dimethyl- 2- {[3- (piperidin- 1- yl)quinoxalin- 2- yl]amino}thiophene- 3- carboxylate
Smiles: COC(=O)c1c(Nc2nc3ccccc3nc2N2CCCCC2)sc(c1C)C

STK544254
Synonyms: 3- (4- bromophenyl)- 2- methyl- 4- oxo- 4H- chromen- 7- yl5- ethoxy- 2- phenyl- 1- benzofuran- 3- carboxylate
Smiles: CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)oc(c(c3=O)c1ccc(cc1)Br)C)c(o2)c1ccccc1

STK544255
Synonyms: 3- (3- methoxypropyl)- 11- (3- methylphenyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1cccc(c1)C

STK544256
Synonyms: N- (4- ethoxyphenyl)- N- [(2- hydroxyquinolin- 3- yl)methyl]- 4- nitrobenzamide
Smiles: CCOc1ccc(cc1)N(C(=O)c1ccc(cc1)[N+](=O)[O-])Cc1cc2ccccc2nc1O

STK544264
Synonyms: prop- 2- en- 1- yl6- ({2- [(4- bromophenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (4- chlorophenyl)- 5- cyano- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(cc1)Br

STK544266
Synonyms: 2- (3- bromo- 4- fluorophenyl)- 5- (4- methoxyphenyl)- 4- phenyl- 1H- imidazole
Smiles: COc1ccc(cc1)c1[nH]c(nc1c1ccccc1)c1ccc(c(c1)Br)F

STK841933
Synonyms: 4- chloro- 2- [(2E)- 3- (2- fluorophenyl)prop- 2- enoyl]phenyl3- nitrobenzoate
Smiles: Clc1ccc(c(c1)C(=O)/C=C/c1ccccc1F)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK841934
Synonyms: 2- [(4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl)amino]ethanol
Smiles: OCCNc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK544270
Synonyms: (5Z)- 3- (4- methylphenyl)- 5- [4- (octyloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)C

STK544271
Synonyms: ethyl3- [4- cyano- 1- (1H- imidazol- 1- yl)- 3- methylpyrido[1,2- a]benzimidazol- 2- yl]propanoate
Smiles: CCOC(=O)CCc1c(C)c(C#N)c2n(c1n1cncc1)c1ccccc1n2

STK544272
Synonyms: 2- (4- chlorophenyl)tetrahydro- 1H- 4,7- ethanoisoindole- 1,3,5,8(2H,4H)- tetrone
Smiles: O=C1C2C(C(=O)N1c1ccc(cc1)Cl)C1CC(=O)C2CC1=O

STK841935
Synonyms: 1- [(4- methoxy- 3- nitrophenyl)sulfonyl]- 3,5- dimethyl- 1H- pyrazole
Smiles: COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)n1nc(cc1C)C

STK841940
Synonyms: 3- (2,6- dichlorophenyl)- 2- [(E)- 2- (5- nitrofuran- 2- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: O=c1n(c(/C=C/c2ccc(o2)[N+](=O)[O-])nc2c1cccc2)c1c(Cl)cccc1Cl

STK544284
Synonyms: methyl6- [(4- chlorobenzyl)sulfanyl]- 5- cyano- 4- (4- methylphenyl)- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCc1ccc(cc1)Cl

STK544289
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- oxo- 2H- chromen- 7- yl5- (acetyloxy)- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CC(=O)Oc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)oc(=O)c(c3)c1nc3c(s1)cccc3)c(o2)C

STK544291
Synonyms: N'- (but- 3- enethioyl)- 1- [(4- chlorophenyl)sulfonyl]piperidine- 3- carbohydrazide
Smiles: C=CCC(=S)NNC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)Cl

STK544296
Synonyms: 3- (4- bromophenyl)- 4- oxo- 4H- chromen- 7- yl5- (acetyloxy)- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CC(=O)Oc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)occ(c3=O)c1ccc(cc1)Br)c(o2)C

STK544298
Synonyms: (2Z,5Z)- 2- [(3,5- dichlorophenyl)imino]- 5- (1H- indol- 3- ylmethylidene)- 1,3- thiazolidin- 4- one
Smiles: Clc1cc(Cl)cc(c1)/N=C\1/NC(=O)/C(=C/c2c[nH]c3c2cccc3)/S1

STK544306
Synonyms: 2- [(5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoicacid
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C

STK544308
Synonyms: (2E)- 3- {4- methyl- 3- [(tetrahydrofuran- 2- ylmethyl)sulfamoyl]phenyl}prop- 2- enoicacid
Smiles: OC(=O)/C=C/c1ccc(c(c1)S(=O)(=O)NCC1CCCO1)C

STK544314
Synonyms: (2E,5Z)- 2- [(2,4- dichlorophenyl)imino]- 5- (4- fluorobenzylidene)- 1,3- thiazolidin- 4- one
Smiles: Fc1ccc(cc1)/C=C/1\S/C(=N/c2ccc(cc2Cl)Cl)/NC1=O

STK544316
Synonyms: 2- [4- (4- methylbenzyl)piperazin- 1- yl]- N'- [(E)- (3- phenoxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccc(cc1)C)N/N=C/c1cccc(c1)Oc1ccccc1

STK841950
Synonyms: 2- [(4- methylphenyl)amino]- 3- (morpholin- 4- yl)naphthalene- 1,4- dione
Smiles: Cc1ccc(cc1)NC1=C(N2CCOCC2)C(=O)c2c(C1=O)cccc2

STK544323
Synonyms: 4- (1- hydroxy- 3,3- dimethyl- 3,4,10,11- tetrahydro- 2H- dibenzo[b,e][1,4]diazepin- 11- yl)benzonitrile
Smiles: N#Cc1ccc(cc1)C1Nc2ccccc2N=C2C1=C(O)CC(C2)(C)C

STK544325
Synonyms: 3'- (4- bromophenyl)- 5'- (phenylcarbonyl)spiro[indole- 3,4'- [1,2]oxazol]- 2(1H)- one
Smiles: Brc1ccc(cc1)C1=NOC(C21C(=O)Nc1c2cccc1)C(=O)c1ccccc1

STK841951
Synonyms: 2- [(2E)- 3- (2- chlorophenyl)prop- 2- enoyl]- 4- fluorophenyl3,4- dimethoxybenzoate
Smiles: COc1ccc(cc1OC)C(=O)Oc1ccc(cc1C(=O)/C=C/c1ccccc1Cl)F

STK544327
Synonyms: 6- {(2E)- 2- [2- (pentyloxy)benzylidene]hydrazinyl}[1,2,4]triazolo[4,3- b]pyridazine
Smiles: CCCCCOc1ccccc1/C=N/Nc1ccc2n(n1)cnn2

STK544329
Synonyms: 2- {[4- (3- bromophenyl)- 3- cyano- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc3c2cccc3)NC(=O)CC1c1cccc(c1)Br

STK544332
Synonyms: 5- chloro- 6- [(1- chloronaphthalen- 2- yl)oxy]- 2- (methylsulfanyl)- 1H- benzimidazole
Smiles: CSc1nc2c([nH]1)cc(c(c2)Cl)Oc1ccc2c(c1Cl)cccc2

STK544334
Synonyms: 9'- bromo- 2'- (4- methoxyphenyl)- 2,2- dimethyl- 1',2,3,5,6,10b'- hexahydrospiro[pyran- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC12CCOC(C1)(C)C

STK841953
Synonyms: 5- (4- chlorophenyl)thieno[2,3- d]pyrimidin- 4- ol
Smiles: Clc1ccc(cc1)c1csc2c1c(O)ncn2

STK544336
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 4- (2,3- dichlorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccc(cc2)Cl)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CCC2

STK841955
Synonyms: prop- 2- en- 1- yl5- cyano- 6- (ethylsulfanyl)- 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

STK544340
Synonyms: N- [1- benzyl- 3- (phenylsulfonyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl]- 4- fluorobenzenesulfonamide
Smiles: Fc1ccc(cc1)S(=O)(=O)Nc1n(Cc2ccccc2)c2c(c1S(=O)(=O)c1ccccc1)nc1c(n2)cccc1

STK841957
Synonyms: 4- methyl- N- {2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]ethyl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)NCCSc1nncn1C

STK841958
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 6- (1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)hexanamide
Smiles: COc1cc(CCNC(=O)CCCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)ccc1OC

STK841959
Synonyms: 4- bromo- N- (1,3- dioxooctahydro- 4,6- ethenocyclopropa[f]isoindol- 2(1H)- yl)- 1- methyl- 1H- pyrazole- 3- carboxamide
Smiles: O=C1N(NC(=O)c2nn(cc2Br)C)C(=O)C2C1C1C=CC2C2C1C2

STK544347
Synonyms: (2E)- 1- (5- chloro- 2- hydroxyphenyl)- 3- (2- fluorophenyl)prop- 2- en- 1- one
Smiles: Clc1ccc(c(c1)C(=O)/C=C/c1ccccc1F)O

STK841961
Synonyms: 5- chloroquinolin- 8- yl2,5- dichlorobenzenesulfonate
Smiles: Clc1ccc(c(c1)S(=O)(=O)Oc1ccc(c2c1nccc2)Cl)Cl

STK841964
Synonyms: 2,3,7- triphenyl- 6,7- dihydro- 5H- imidazo[2,1- b][1,3]thiazin- 5- one
Smiles: O=C1CC(Sc2n1c(c1ccccc1)c(n2)c1ccccc1)c1ccccc1

STK841965
Synonyms: (2Z)- 2- cyano- 2- (4- methyl- 3- phenyl- 1,3- thiazol- 2(3H)- ylidene)ethanamide
Smiles: N#C/C(=c\1/scc(n1c1ccccc1)C)/C(=O)N

STK544357
Synonyms: 2- (1,3- benzoxazol- 2- ylsulfanyl)- N'- [(E)- (4- ethoxy- 3- methoxyphenyl)methylidene]acetohydrazide
Smiles: CCOc1ccc(cc1OC)/C=N/NC(=O)CSc1nc2c(o1)cccc2

STK544358
Synonyms: 2- {[5- (3- chloro- 1- benzothiophen- 2- yl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (4- fluorophenyl)ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)F)nnc1c1sc2c(c1Cl)cccc2

STK544360
Synonyms: 8- (ethylsulfanyl)- 2,2- dimethyl- 5- propyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3SCC

STK544365
Synonyms: 2,2- dimethyl- 2'- (naphthalen- 2- yl)- 1',2,3,5,6,10b'- hexahydrospiro[pyran- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CC1(C)OCCC2(C1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)cccc2

STK544369
Synonyms: 2- [({5- [(E)- 2- carboxyethenyl]- 2- methylphenyl}sulfonyl)amino]benzoicacid
Smiles: OC(=O)/C=C/c1ccc(c(c1)S(=O)(=O)Nc1ccccc1C(=O)O)C

STK841971
Synonyms: 4- [4- (diphenylmethoxy)but- 2- yn- 1- yl]morpholine
Smiles: O1CCN(CC1)CC#CCOC(c1ccccc1)c1ccccc1

STK841972
Synonyms: methyl2- hydroxy- 4- oxo- 4- [4- (propan- 2- yl)phenyl]- 2- (trifluoromethyl)butanoate
Smiles: COC(=O)C(C(F)(F)F)(CC(=O)c1ccc(cc1)C(C)C)O

STK841975
Synonyms: 2,3- bis(4- chlorophenyl)tetrahydro- 1H,5H- pyrazolo[1,2- a][1,2,4]triazol- 1- one
Smiles: Clc1ccc(cc1)C1N(c2ccc(cc2)Cl)C(=O)N2N1CCC2

STK544375
Synonyms: N- {1,1,1,3,3,3- hexafluoro- 2- [(6- methylpyridin- 2- yl)amino]propan- 2- yl}- 2- phenylacetamide
Smiles: O=C(NC(C(F)(F)F)(C(F)(F)F)Nc1cccc(n1)C)Cc1ccccc1

STK544377
Synonyms: N,N'- {4- methyl- 6- [(E)- phenyldiazenyl]benzene- 1,3- diyl}diacetamide
Smiles: CC(=O)Nc1cc(NC(=O)C)c(cc1/N=N/c1ccccc1)C

STK841979
Synonyms: 2,5- bis(4- methylphenyl)- 5,6- dihydro- 7H- [1,2,4]triazolo[5,1- b][1,3]thiazin- 7- one
Smiles: Cc1ccc(cc1)C1CC(=O)n2c(S1)nc(n2)c1ccc(cc1)C

STK841980
Synonyms: 3- benzyl- 2- [(E)- 2- (4- hydroxyphenyl)ethenyl]- 6- iodoquinazolin- 4(3H)- one
Smiles: Oc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1Cc1ccccc1)I

STK544393
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- 9- (pyridin- 2- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8(9H)- one
Smiles: O=c1c2sc3c(c2ncn1c1ccccn1)c1CC(C)(C)OCc1c(n3)N1CCOCC1

STK841982
Synonyms: 3- (1,3- benzoxazol- 2- yl)- 2- oxo- 2H- chromen- 7- yl5- (acetyloxy)- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CC(=O)Oc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)oc(=O)c(c3)c1nc3c(o1)cccc3)c(o2)C

STK544398
Synonyms: 8- bromo- N- (1,3- dioxolan- 2- ylmethyl)- N- methyl- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: Brc1ccc2c(c1)c1ncnc(c1[nH]2)N(CC1OCCO1)C

STK544400
Synonyms: 2- (1,3- benzoxazol- 2- ylsulfanyl)- N'- [(1Z)- 1- (pyridin- 4- yl)ethylidene]acetohydrazide
Smiles: O=C(N/N=C(\c1ccncc1)/C)CSc1nc2c(o1)cccc2

STK841983
Synonyms: 4- bromo- 2- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]phenylthiophene- 2- carboxylate
Smiles: COc1ccc(cc1OC)/C=C/C(=O)c1cc(Br)ccc1OC(=O)c1cccs1

STK544408
Synonyms: [3- (4- chloro- 2- hydroxyphenyl)- 1H- pyrazol- 4- yl](furan- 2- yl)methanone
Smiles: Clc1ccc(c(c1)O)c1n[nH]cc1C(=O)c1ccco1

STK544418
Synonyms: 1,5- diethyl- 3,7- bis[(4- nitrophenyl)carbonyl]- 3,7- diazabicyclo[3.3.1]nonan- 9- one
Smiles: CCC12CN(CC(C2=O)(CN(C1)C(=O)c1ccc(cc1)[N+](=O)[O-])CC)C(=O)c1ccc(cc1)[N+](=O)[O-]

STK544421
Synonyms: (3aR,6aS)- 5- (3,5- dichlorophenyl)- 3- (3,4- dimethoxyphenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl

STK544422
Synonyms: 2- {[5- (3- chloro- 6- methoxy- 1- benzothiophen- 2- yl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (4- fluorophenyl)ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)F)nnc1c1sc2c(c1Cl)ccc(c2)OC

STK544428
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 4- (4- methylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccc(cc2)Cl)NC(=O)CC1c1ccc(cc1)C

STK544429
Synonyms: ethyl3- (3,4- dimethoxyphenyl)- 4- oxo- 7- {[4- (trifluoromethyl)benzyl]oxy}- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(OCc3ccc(cc3)C(F)(F)F)ccc2c(=O)c1c1ccc(c(c1)OC)OC

STK841988
Synonyms: ethyl4- ({[(5- {[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]methyl}- 1,3,4- oxadiazol- 2- yl)sulfanyl]acetyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(o1)CSc1nc(C)cc(n1)C

STK841989
Synonyms: 5- phenyl- 2,4- di(thiophen- 2- yl)- 1H- imidazole
Smiles: c1ccc(cc1)c1[nH]c(nc1c1cccs1)c1cccs1

STK841991
Synonyms: 1- (4- chlorophenyl)- 3,6- dihydro[1,4]diazepino[6,5- b]indol- 2(1H)- one4- oxide
Smiles: [O-][N+]1=Cc2[nH]c3c(c2N(C(=O)C1)c1ccc(cc1)Cl)cccc3

STK544441
Synonyms: ethyl2- {[3- (4- ethylpiperazin- 1- yl)quinoxalin- 2- yl]amino}- 4,5- dimethylthiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCN(CC2)CC)sc(c1C)C

STK544448
Synonyms: 4- (4- bromophenyl)- 2- (2,4- dimethoxy- 3- methylphenyl)- 5- phenyl- 1H- imidazole
Smiles: COc1ccc(c(c1C)OC)c1[nH]c(c(n1)c1ccc(cc1)Br)c1ccccc1

STK544455
Synonyms: 5- tert- butyl- 3- ethoxy- 2- (4- fluorophenyl)- 2,3- dihydro- 1,3- oxaphosphole3- oxide
Smiles: CCOP1(=O)C=C(OC1c1ccc(cc1)F)C(C)(C)C

STK544456
Synonyms: 3- nitro- 4- (pentyloxy)benzylcarbamimidothioate
Smiles: CCCCCOc1ccc(cc1[N+](=O)[O-])CSC(=N)N

STK841994
Synonyms: ethyl5- [2- (4- fluorophenyl)- 2- oxoethoxy]- 2- (4- methoxyphenyl)- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)c1ccc(cc1)F)cc2)c1ccc(cc1)OC

STK841995
Synonyms: 4- fluoro- 2- [(2E)- 3- (4- methylphenyl)prop- 2- enoyl]phenyl2- methoxybenzoate
Smiles: COc1ccccc1C(=O)Oc1ccc(cc1C(=O)/C=C/c1ccc(cc1)C)F

STK544458
Synonyms: 2- {(5Z)- 5- [4- (octyloxy)benzylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}propanoicacid
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C

STK841997
Synonyms: 2- (butylsulfanyl)- 4- (4- methylphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: CCCCSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)C

STK841999
Synonyms: (2Z,5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 2- [(4- hydroxyphenyl)imino]- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\S/C(=N\c2ccc(cc2)O)/NC1=O

STK544465
Synonyms: 6- chloro- N- hexyl- N'- phenyl- 1,3,5- triazine- 2,4- diamine
Smiles: CCCCCCNc1nc(Cl)nc(n1)Nc1ccccc1

STK544472
Synonyms: N,N'- [(4- fluorophenyl)methanediyl]bis(2- methylbenzamide)
Smiles: Fc1ccc(cc1)C(NC(=O)c1ccccc1C)NC(=O)c1ccccc1C

STK842003
Synonyms: 2- (butylsulfanyl)- 4- (2,3- dichlorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: CCCCSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1cccc(c1Cl)Cl

STK544477
Synonyms: ethyl3- (4- cyano- 1- hydroxy- 3- methylpyrido[1,2- a]benzimidazol- 2- yl)propanoate
Smiles: CCOC(=O)CCc1c(C)c(C#N)c2n(c1O)c1ccccc1n2

STK544478
Synonyms: diethyl2- (furan- 2- yl)- 6- methyl- 4- [(4- methylphenyl)amino]cyclohexa- 3,5- diene- 1,3- dicarboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)C)C=C(C(C1c1ccco1)C(=O)OCC)C

STK544481
Synonyms: 3- chloro- N- ({4- [(5- ethyl- 1,3,4- thiadiazol- 2- yl)sulfamoyl]phenyl}carbamothioyl)- 6- fluoro- 1- benzothiophene- 2- carboxamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1sc2c(c1Cl)ccc(c2)F

STK544483
Synonyms: 2- [(2E)- 3- (4- fluorophenyl)prop- 2- enoyl]- 5- methoxyphenyl2- bromobenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccccc1Br)C(=O)/C=C/c1ccc(cc1)F

STK842007
Synonyms: 2- [(2E)- 3- (2- chlorophenyl)prop- 2- enoyl]- 4- methylphenylfuran- 2- carboxylate
Smiles: Cc1ccc(c(c1)C(=O)/C=C/c1ccccc1Cl)OC(=O)c1ccco1

STK842008
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 8- methyl- 4- oxo- 4H- chromen- 7- ylthiophene- 2- carboxylate
Smiles: O=C(c1cccs1)Oc1ccc2c(c1C)occ(c2=O)c1nc2c(s1)cccc2

STK842009
Synonyms: methyl2- {[({5- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=O)CSc1nnc(o1)CSc1nc2c(s1)cccc2

STK842011
Synonyms: (2E)- 3- (4- fluorophenyl)- 1- [2- (prop- 2- en- 1- ylsulfanyl)- 1H- benzimidazol- 1- yl]prop- 2- en- 1- one
Smiles: C=CCSc1nc2c(n1C(=O)/C=C/c1ccc(cc1)F)cccc2

STK842014
Synonyms: 2- [(2,4- dimethyl- 5- nitrophenyl)sulfonyl]- 1,2,3,4- tetrahydroisoquinoline
Smiles: Cc1cc(C)c(cc1S(=O)(=O)N1CCc2c(C1)cccc2)[N+](=O)[O-]

STK544498
Synonyms: 2- amino- 1- (4- fluorobenzyl)- N- (3- methylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Fc1ccc(cc1)Cn1c2nc3ccccc3nc2c(c1N)C(=O)Nc1cccc(c1)C

STK544502
Synonyms: 3,7- bis[(4- nitrophenyl)carbonyl]- 1,5- di(propan- 2- yl)- 3,7- diazabicyclo[3.3.1]nonan- 9- one
Smiles: CC(C12CN(CC(C2=O)(CN(C1)C(=O)c1ccc(cc1)[N+](=O)[O-])C(C)C)C(=O)c1ccc(cc1)[N+](=O)[O-])C

STK842016
Synonyms: (E)- N- (1,3- benzodioxol- 5- yl)- 2- phenylethenesulfonamide
Smiles: O=S(=O)(Nc1ccc2c(c1)OCO2)/C=C/c1ccccc1

STK842017
Synonyms: 3- (3- chlorophenyl)- 5,6- dimethylthieno[2,3- d]pyrimidine- 2,4(1H,3H)- dione
Smiles: Clc1cccc(c1)n1c(=O)[nH]c2c(c1=O)c(C)c(s2)C

STK842018
Synonyms: 4- bromo- 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]phenyl2- methoxybenzoate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(Br)ccc1OC(=O)c1ccccc1OC

STK544509
Synonyms: N- {3- [(2,4- dimethoxyphenyl)amino]quinoxalin- 2- yl}benzenesulfonamide
Smiles: COc1cc(OC)ccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1

STK544511
Synonyms: 2- [3- (azepan- 1- yl)quinoxalin- 2- yl]- 2- cyano- N- cyclohexylacetamide
Smiles: N#CC(c1nc2ccccc2nc1N1CCCCCC1)C(=O)NC1CCCCC1

STK544516
Synonyms: propan- 2- yl5- [(2- chlorobenzyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CC(OC(=O)c1c(C)oc2c1cc(OCc1ccccc1Cl)cc2)C

STK842021
Synonyms: N- cyclohexyl- 2- {[5- (pyridin- 4- yl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}acetamide
Smiles: O=C(NC1CCCCC1)CSc1nnc(o1)c1ccncc1

STK842022
Synonyms: 2- methoxyethyl5- [2- (4- chlorophenyl)- 2- oxoethoxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCC(=O)c1ccc(cc1)Cl)cc2

STK544524
Synonyms: 3- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 7- {[(2E)- 3- phenylprop- 2- en- 1- yl]oxy}- 2H- chromen- 2- one
Smiles: Brc1ccc(cc1)c1csc(n1)c1cc2ccc(cc2oc1=O)OC/C=C/c1ccccc1

STK842026
Synonyms: 4- fluoro- N'- {[(5E)- 4- oxo- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 3- yl]acetyl}benzohydrazide
Smiles: COc1cc(/C=C\2/SC(=S)N(C2=O)CC(=O)NNC(=O)c2ccc(cc2)F)cc(c1OC)OC

STK842027
Synonyms: 2- [(2E)- 3- (2- fluorophenyl)prop- 2- enoyl]- 5- methoxyphenyl2- methylbenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccccc1C)C(=O)/C=C/c1ccccc1F

STK544529
Synonyms: 1- benzyl- 2'- (naphthalen- 1- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: c1ccc(cc1)CN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1cccc2c1cccc2

STK842029
Synonyms: 5,7- dichloroquinolin- 8- yl2- methoxy- 4- methylbenzenesulfonate
Smiles: COc1cc(C)ccc1S(=O)(=O)Oc1c(Cl)cc(c2c1nccc2)Cl

STK842030
Synonyms: (5Z)- 5- (4- fluorobenzylidene)- 3- (3- hydroxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Fc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)O

STK842031
Synonyms: prop- 2- en- 1- yl5- cyano- 2- methyl- 4- (4- methylphenyl)- 6- ({2- [(4- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccc(cc1)C

STK544533
Synonyms: 2- (3- bromo- 4- methoxyphenyl)- 5- (4- fluorophenyl)- 4- phenyl- 1H- imidazole
Smiles: COc1ccc(cc1Br)c1[nH]c(c(n1)c1ccccc1)c1ccc(cc1)F

STK544537
Synonyms: (3aS,6aS)- 5- (4- methoxyphenyl)- 3- (4- nitrophenyl)- 1- phenyl- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NN2c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK842034
Synonyms: N~4~- (furan- 2- ylmethyl)- N~2~- phenylquinazoline- 2,4- diamine
Smiles: c1ccc(cc1)Nc1nc(NCc2ccco2)c2c(n1)cccc2

STK544543
Synonyms: 8- chloro- N- (2- methoxyphenyl)- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indole- 2- carboxamide
Smiles: COc1ccccc1NC(=O)N1CCc2c(C1)c1cc(Cl)ccc1[nH]2

STK544546
Synonyms: ethyl2- tert- butyl- 5- [(3- nitrobenzyl)oxy]- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3cccc(c3)[N+](=O)[O-])ccc2oc1C(C)(C)C

STK544548
Synonyms: ethyl(2- chlorophenyl)(1- hydroxycyclohexyl)phosphinate
Smiles: CCOP(=O)(C1(O)CCCCC1)c1ccccc1Cl

STK842039
Synonyms: 4- [4- (benzyloxy)phenyl]- 2- [(4- chlorobenzyl)sulfanyl]- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccc(cc2)Cl)NC(=O)CC1c1ccc(cc1)OCc1ccccc1

STK544550
Synonyms: methyl5- cyano- 6- ({2- [(4- fluorophenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (4- methylphenyl)- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccc(cc1)F

STK544553
Synonyms: 2'- (2,4- dimethoxyphenyl)- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1OC)OC

STK544558
Synonyms: 4- cyano- 3- methyl- 5- phenylthiophene- 2- carboxylicacid
Smiles: N#Cc1c(sc(c1C)C(=O)O)c1ccccc1

STK842043
Synonyms: 4- [4- (benzyloxy)phenyl]- 2- (butylsulfanyl)- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: CCCCSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)OCc1ccccc1

STK842044
Synonyms: prop- 2- en- 1- yl5- cyano- 2- methyl- 4- (4- methylphenyl)- 6- ({2- [(2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccccc1C

STK544559
Synonyms: 1- benzyl- 2'- (naphthalen- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: c1ccc(cc1)CN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)cccc2

STK842048
Synonyms: N- [3- (difluoromethoxy)phenyl]- 4- (4- methoxyphenyl)piperazine- 1- carbothioamide
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=S)Nc1cccc(c1)OC(F)F

STK544566
Synonyms: (2E)- 1- (5- fluoro- 2- hydroxyphenyl)- 3- (2- fluorophenyl)prop- 2- en- 1- one
Smiles: Fc1ccc(c(c1)C(=O)/C=C/c1ccccc1F)O

STK544567
Synonyms: 3- phenyl- 1- [(pyridin- 3- ylmethyl)amino]pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: N#Cc1c(cc(n2c1nc1c2cccc1)NCc1cccnc1)c1ccccc1

STK842052
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 4- (2,3- dichlorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccccc2Cl)NC2=C(C1c1cccc(c1Cl)Cl)C(=O)CCC2

STK544573
Synonyms: N- [(5Z)- 5- (2,4- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- hydroxybenzamide
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)O

STK842056
Synonyms: 4- (propan- 2- yloxy)benzylcarbamimidothioate
Smiles: CC(Oc1ccc(cc1)CSC(=N)N)C

STK544581
Synonyms: 5- (4- fluorophenyl)- 4- [4- (2- phenoxyethyl)piperazin- 1- yl]thieno[2,3- d]pyrimidine
Smiles: Fc1ccc(cc1)c1csc2c1c(ncn2)N1CCN(CC1)CCOc1ccccc1

STK544584
Synonyms: 9'- bromo- 2'- (5- methylfuran- 2- yl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCC(CC1)c1ccccc1)c1ccc(o1)C

STK544601
Synonyms: N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 2- [2- (1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)ethyl]- 4,5- dimethoxybenzenesulfonamide
Smiles: COc1cc(CCn2c(=O)c3cccc4c3c(c2=O)ccc4)c(cc1OC)S(=O)(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1

STK544602
Synonyms: 3- (3,4- dichlorophenyl)- 11- (2- methoxyethyl)- 2- methyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COCCn1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)Cl

STK842059
Synonyms: 2- {[3- cyano- 4- (4- methylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)C

STK544613
Synonyms: 2- {[3- cyano- 4- (2,3- dichlorophenyl)- 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(C1c1cccc(c1Cl)Cl)C(=O)CCC2

STK544614
Synonyms: 2- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]- 5- methoxyphenyl4- fluorobenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccc(cc1)F)C(=O)/C=C/c1ccc(c(c1)OC)OC

STK544622
Synonyms: 4- hydroxy- N- methyl- 2- oxo- 1- propyl- 1,2,5,6,7,8- hexahydroquinoline- 3- carboxamide
Smiles: CCCn1c2CCCCc2c(c(c1=O)C(=O)NC)O

STK842066
Synonyms: propan- 2- yl5- {2- [(2E)- 2- (2- methoxybenzylidene)hydrazinyl]- 2- oxoethoxy}- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COc1ccccc1/C=N/NC(=O)COc1ccc2c(c1)c(C(=O)OC(C)C)c(o2)C

STK544626
Synonyms: 1- benzyl- 2'- (2- chlorophenyl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Clc1ccccc1C1=NN2C(C1)c1ccccc1OC12CCN(CC1)Cc1ccccc1

STK544634
Synonyms: prop- 2- en- 1- yl6- ({2- [(3- chlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 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)Nc1cccc(c1)Cl

STK544641
Synonyms: 7- (4- {[(6- chloropyridin- 3- yl)carbonyl]carbamothioyl}piperazin- 1- yl)- 1- ethyl- 6- fluoro- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)NC(=O)c1ccc(nc1)Cl)c(c2)F

STK544650
Synonyms: 2- (4- ethoxy- 4- oxido- 1,3- diphenyl- 1,4- dihydro- 1,2,4- diazaphosphinin- 5- yl)ethanol
Smiles: OCCC1=CN(N=C(P1(=O)OCC)c1ccccc1)c1ccccc1

STK842071
Synonyms: 2- [(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]- 4- fluorophenylbenzoate
Smiles: COc1cc(/C=C/C(=O)c2cc(F)ccc2OC(=O)c2ccccc2)ccc1OC

STK544651
Synonyms: methyl3,3,3- trifluoro- 2- (1H- indol- 3- ylsulfanyl)- 2- (trifluoromethyl)propanoate
Smiles: COC(=O)C(C(F)(F)F)(C(F)(F)F)Sc1c[nH]c2c1cccc2

STK842072
Synonyms: N- (4- fluorophenyl)- 4- (morpholin- 4- yl)quinazolin- 2- amine
Smiles: Fc1ccc(cc1)Nc1nc2ccccc2c(n1)N1CCOCC1

STK544654
Synonyms: prop- 2- en- 1- yl6- ({2- [(4- chloro- 2,5- dimethoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (2- methoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1OC)C#N)SCC(=O)Nc1cc(OC)c(cc1OC)Cl

STK544656
Synonyms: ethyl5- fluoro- 3- [(prop- 2- en- 1- ylcarbamothioyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NCC=C)c2c([nH]1)ccc(c2)F

STK842076
Synonyms: 3- methyl- 8- (piperidin- 1- yl)- 7- (prop- 2- en- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C=CCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCC1

STK842079
Synonyms: ethyl5- (benzyloxy)- 2- (4- methoxyphenyl)- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccccc1)cc2)c1ccc(cc1)OC

STK842081
Synonyms: (4E)- 5- (2,4- dichlorophenyl)- 4- (1- hydroxyethylidene)- 1- (2- methoxyethyl)pyrrolidine- 2,3- dione
Smiles: COCCN1C(=O)C(=O)/C(=C(/O)\C)/C1c1ccc(cc1Cl)Cl

STK544666
Synonyms: N'- [(E)- (5- nitrofuran- 2- yl)methylidene]- 1- benzofuran- 2- carbohydrazide
Smiles: O=C(c1cc2c(o1)cccc2)N/N=C/c1ccc(o1)[N+](=O)[O-]

STK544667
Synonyms: 2- (3- bromo- 4- methoxyphenyl)- 4- (3- chlorophenyl)- 5- phenyl- 1H- imidazole
Smiles: COc1ccc(cc1Br)c1nc(c([nH]1)c1ccccc1)c1cccc(c1)Cl

STK842083
Synonyms: (2E)- 3- (3,5- dichloro- 2- hydroxyphenyl)- 1- phenylprop- 2- en- 1- one
Smiles: Clc1cc(/C=C/C(=O)c2ccccc2)c(c(c1)Cl)O

STK842084
Synonyms: 2- {[4- (3- bromophenyl)- 3- cyano- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- phenylacetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)CC1c1cccc(c1)Br

STK544679
Synonyms: (2E,5Z)- 5- (4- fluorobenzylidene)- 2- {[3- (trifluoromethyl)phenyl]imino}- 1,3- thiazolidin- 4- one
Smiles: Fc1ccc(cc1)/C=C/1\S/C(=N/c2cccc(c2)C(F)(F)F)/NC1=O

STK842087
Synonyms: propan- 2- yl2- methyl- 5- (2- {2- [(4- methylphenyl)carbonyl]hydrazinyl}- 2- oxoethoxy)- 1- benzofuran- 3- carboxylate
Smiles: O=C(COc1ccc2c(c1)c(C(=O)OC(C)C)c(o2)C)NNC(=O)c1ccc(cc1)C

STK544681
Synonyms: 3,6- diamino- 5- cyano- 4- [4- (propan- 2- yl)phenyl]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: N#Cc1c(N)nc2c(c1c1ccc(cc1)C(C)C)c(N)c(s2)C(=O)N

STK544683
Synonyms: 4- chloro- 8,9,9a,10- tetrahydro- 5aH- pyrimido[5,4- b][1,4]benzoxazin- 6(7H)- one
Smiles: O=C1CCCC2C1Oc1c(N2)ncnc1Cl

STK544686
Synonyms: 2'- (3,4- dimethoxyphenyl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cc(ccc1OC)C1=NN2C(C1)c1ccccc1OC12CCC(CC1)c1ccccc1

STK544691
Synonyms: N- [3- (difluoromethoxy)phenyl]- 4- (pyridin- 2- yl)piperazine- 1- carbothioamide
Smiles: FC(Oc1cccc(c1)NC(=S)N1CCN(CC1)c1ccccn1)F

STK544693
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 2- [2- (1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)ethyl]- 4,5- dimethoxybenzenesulfonamide
Smiles: COc1cc(c(cc1OC)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)S(=O)(=O)NCCc1ccc(c(c1)OC)OC

STK544698
Synonyms: 1- (ethylsulfanyl)- 4- (2- phenylethyl)- 7- (propan- 2- yl)- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)C(C)C

STK842091
Synonyms: 2- (2,4- dichlorophenoxy)- N- (2- {[6- methyl- 2- (methylsulfanyl)pyrimidin- 4- yl]oxy}ethyl)acetamide
Smiles: CSc1nc(OCCNC(=O)COc2ccc(cc2Cl)Cl)cc(n1)C

STK544702
Synonyms: 2- [(2E)- 3- (2- fluorophenyl)prop- 2- enoyl]- 5- methoxyphenyl4- methylbenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccc(cc1)C)C(=O)/C=C/c1ccccc1F

STK842094
Synonyms: methyl5- cyano- 4- (2- fluorophenyl)- 2- oxo- 6- ({2- oxo- 2- [(2,4,6- trimethylphenyl)amino]ethyl}sulfanyl)- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1c(C)cc(cc1C)C

STK842095
Synonyms: (5Z)- 1- (4- fluorobenzyl)- 5- [(1- methyl- 1H- pyrrol- 2- yl)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Fc1ccc(cc1)CN1C(=O)NC(=O)/C(=C/c2cccn2C)/C1=O

STK544715
Synonyms: (2E)- 3- [3- (2,3- dihydro- 1H- indol- 1- ylsulfonyl)- 4- methylphenyl]prop- 2- enoicacid
Smiles: OC(=O)/C=C/c1ccc(c(c1)S(=O)(=O)N1CCc2c1cccc2)C

STK544717
Synonyms: (3aS,6aS)- 3- (4- bromophenyl)- 5- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 1- phenyl- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: Brc1ccc(cc1)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)c1ccccc1

STK842103
Synonyms: N- (4- ethoxyphenyl)- 2- methoxyquinoline- 4- carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1cc(OC)nc2c1cccc2

STK842106
Synonyms: 5- methoxy- 2- [(2E)- 3- (thiophen- 2- yl)prop- 2- enoyl]phenyl2- bromobenzoate
Smiles: COc1ccc(c(c1)OC(=O)c1ccccc1Br)C(=O)/C=C/c1cccs1

STK842108
Synonyms: 4- bromo- N- [(5Z)- 5- (1H- indol- 3- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: Brc1ccc(cc1)C(=O)NN1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O

STK544729
Synonyms: prop- 2- en- 1- yl5- cyano- 6- ({2- [(3,4- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (4- ethoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)OCC)C#N)SCC(=O)Nc1ccc(c(c1)C)C

STK544731
Synonyms: methyl5- cyano- 4- (4- ethoxyphenyl)- 2- oxo- 6- ({2- oxo- 2- [(2,4,6- trimethylphenyl)amino]ethyl}sulfanyl)- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: CCOc1ccc(cc1)C1C(C(=O)OC)C(=O)NC(=C1C#N)SCC(=O)Nc1c(C)cc(cc1C)C

STK544732
Synonyms: 4- [(Z)- 2- (1,3- benzothiazol- 2- yl)- 1- hydroxyethenyl]- 2- methylbenzene- 1,3- diol
Smiles: O/C(=C\c1nc2c(s1)cccc2)/c1ccc(c(c1O)C)O

STK544735
Synonyms: 2- [(2E)- 3- (4- chlorophenyl)prop- 2- enoyl]- 4- fluorophenyl4- nitrobenzoate
Smiles: Fc1ccc(c(c1)C(=O)/C=C/c1ccc(cc1)Cl)OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK544737
Synonyms: {[3- cyano- 4- (4- fluorophenyl)- 6- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}aceticacid
Smiles: N#Cc1c(SCC(=O)O)nc(cc1c1ccc(cc1)F)c1cccs1

STK544741
Synonyms: 3- (2- methoxyethyl)- 11- (4- methylphenyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)C

STK544746
Synonyms: 1- benzyl- 2'- (3,4- dimethoxyphenyl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cc(ccc1OC)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)Cc1ccccc1

STK544749
Synonyms: 4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- ol
Smiles: Oc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK544752
Synonyms: methyl5- (2- nitrophenyl)- 4,6- dioxo- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: COC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccccc1[N+](=O)[O-]

STK544759
Synonyms: 2- (2,6- dimethylmorpholin- 4- yl)- 1- (1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: CC1CN(CC(O1)C)CC(=O)N1CCc2c(C1)c1ccccc1[nH]2

STK544760
Synonyms: 1- ethyl- 6- fluoro- 4- oxo- 7- [4- (phenylcarbamothioyl)piperazin- 1- yl]- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1ccccc1)c(c2)F

STK544765
Synonyms: (2E,5Z)- 5- (pyridin- 3- ylmethylidene)- 2- {[3- (trifluoromethyl)phenyl]imino}- 1,3- thiazolidin- 4- one
Smiles: O=C1N/C(=N\c2cccc(c2)C(F)(F)F)/S/C/1=C\c1cccnc1

STK842115
Synonyms: 5- (4- fluorophenyl)thieno[2,3- d]pyrimidin- 4- ol
Smiles: Fc1ccc(cc1)c1csc2c1c(O)ncn2

STK842116
Synonyms: ethyl2- {[(1,3- benzodioxol- 5- ylcarbonyl)carbamothioyl]amino}- 4,5- dimethylthiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(=O)c2ccc3c(c2)OCO3)sc(c1C)C

STK544777
Synonyms: 6- (2,4- dichlorophenyl)- N,N- dimethyl- 4,4- bis(trifluoromethyl)- 4H- 1,3,5- oxadiazin- 2- amine
Smiles: Clc1ccc(c(c1)Cl)C1=NC(N=C(O1)N(C)C)(C(F)(F)F)C(F)(F)F

STK544783
Synonyms: 1- [5- (1- benzyl- 1H- indol- 3- yl)- 3- phenyl- 4,5- dihydro- 1H- pyrazol- 1- yl]ethanone
Smiles: CC(=O)N1N=C(CC1c1cn(c2c1cccc2)Cc1ccccc1)c1ccccc1

STK842123
Synonyms: 2- ({4- [4- (benzyloxy)phenyl]- 3- cyano- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl}sulfanyl)- N- (4- fluorophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=O)CC1c1ccc(cc1)OCc1ccccc1

STK544788
Synonyms: 2'- (2,5- dimethylphenyl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Cc1ccc(c(c1)C1=NN2C(C1)c1ccccc1OC12CCC(CC1)c1ccccc1)C

STK544790
Synonyms: (4Z)- 5- (4- chlorophenyl)- 1- (2- hydroxyethyl)- 4- (1- hydroxyethylidene)pyrrolidine- 2,3- dione
Smiles: OCCN1C(=O)C(=O)/C(=C(\O)/C)/C1c1ccc(cc1)Cl

STK544792
Synonyms: 1,4- bis[4- (diphenylmethoxy)but- 2- yn- 1- yl]piperazine
Smiles: O(C(c1ccccc1)c1ccccc1)CC#CCN1CCN(CC1)CC#CCOC(c1ccccc1)c1ccccc1

STK842125
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[3- cyano- 4- (2- fluorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)NC(=O)CC1c1ccccc1F

STK842127
Synonyms: 3- amino- 5- oxo- N- (4- phenoxyphenyl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CCCC1=O)Nc1ccc(cc1)Oc1ccccc1

STK544796
Synonyms: {(5Z)- 5- [4- (octyloxy)benzylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}(phenyl)aceticacid
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)C(=O)O

STK544804
Synonyms: N~4~- [5- (diethylamino)pentan- 2- yl]- 2- [(E)- 2- (2,4,6- tribromophenyl)ethenyl]quinazoline- 4,6- diamine
Smiles: CCN(CCCC(Nc1nc(/C=C/c2c(Br)cc(cc2Br)Br)nc2c1cc(N)cc2)C)CC

STK842132
Synonyms: 2- {[3- cyano- 4- (2- methoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (2,4,6- trimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)NC(=O)CC1c1ccccc1OC

STK842133
Synonyms: 7- (3- chlorophenyl)- 5- hydroxy- 1,3- benzoxathiol- 2- one
Smiles: Oc1cc2sc(=O)oc2c(c1)c1cccc(c1)Cl

STK842134
Synonyms: 4,6- dimethyl- 2- {[(5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 1,3,4- oxadiazol- 2- yl)methyl]sulfanyl}pyrimidine
Smiles: Cc1cc(C)nc(n1)SCc1nnc(o1)SC/C=C/c1ccccc1

STK842135
Synonyms: 2- methoxyethyl2- methyl- 5- [(3- nitrobenzyl)oxy]- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1cccc(c1)[N+](=O)[O-])cc2

STK842137
Synonyms: 1- (4- chlorophenyl)- 2- ({4- phenyl- 5- [(quinolin- 8- yloxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)ethanone
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc(n1c1ccccc1)COc1cccc2c1nccc2

STK544823
Synonyms: 2- methyl- 5- {4- [(4- methylphenyl)amino]phthalazin- 1- yl}- N- (pyridin- 3- ylmethyl)benzenesulfonamide
Smiles: Cc1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCc1cccnc1)C

STK842141
Synonyms: (5Z)- 5- (1H- indol- 3- ylmethylidene)- 3- (3- methoxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cccc(c1)N1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O

STK842142
Synonyms: methyl6- bromo- 5- [2- (4- fluorophenyl)- 2- oxoethoxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COC(=O)c1c(C)oc2c1cc(OCC(=O)c1ccc(cc1)F)c(c2)Br

STK544832
Synonyms: 1- benzyl- 2'- (3,4- dichlorophenyl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Clc1ccc(cc1Cl)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)Cc1ccccc1

STK544838
Synonyms: 1- {[2- (diethylamino)ethyl]amino}- 2- ethyl- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCN(CCNc1c(CC)c(C)c(c2n1c1ccccc1n2)C#N)CC

STK544840
Synonyms: 2- {[(2E)- 3- chlorobut- 2- en- 1- yl]sulfanyl}- 3- (2- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccccc1n1c(SC/C=C(/Cl)\C)nc2c(c1=O)cccc2

STK544842
Synonyms: 9'- bromo- 2,2- dimethyl- 2'- (4- methylphenyl)- 1',2,3,5,6,10b'- hexahydrospiro[pyran- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Cc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC12CCOC(C1)(C)C

STK544846
Synonyms: 2- {3- [(3aS,6aS)- 5- (4- acetylphenyl)- 4,6- dioxo- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazol- 3- yl]- 3- oxopropyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1N(c2ccc(cc2)C(=O)C)C(=O)[C@@H]2[C@H]1C(=NN2)C(=O)CCN1C(=O)c2c(C1=O)cccc2

STK544850
Synonyms: N- (3- acetylphenyl)- 3- amino- 7,7- dimethyl- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CC(CC1=O)(C)C)Nc1cccc(c1)C(=O)C

STK544856
Synonyms: 2'- (2- methoxyphenyl)- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1ccccc1C1=NN2C(C1)c1ccccc1OC12CCN(CC1)C(C)C

STK544859
Synonyms: (3aS,6aS)- 5- (3- fluorophenyl)- 3- (quinolin- 2- ylcarbonyl)- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: Fc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NN2)C(=O)c1ccc2c(n1)cccc2

STK544862
Synonyms: 8- bromo- 4- (4- methylpiperazin- 1- yl)- 5H- pyrimido[5,4- b]indole
Smiles: CN1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)Br

STK842152
Synonyms: 2,2'- {[4,4'- di(prop- 2- en- 1- yl)- 4H,4'H- 3,3'- bi- 1,2,4- triazole- 5,5'- diyl]disulfanediyl}bis(1- phenylethanone)
Smiles: C=CCn1c(SCC(=O)c2ccccc2)nnc1c1nnc(n1CC=C)SCC(=O)c1ccccc1

STK544864
Synonyms: 6- iodo- 3- methyl- 2- [(E)- 2- (pyridin- 3- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1cccnc1)C

STK842153
Synonyms: prop- 2- en- 1- yl6- ({2- [(3- acetylphenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (2- methoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1OC)C#N)SCC(=O)Nc1cccc(c1)C(=O)C

STK842157
Synonyms: 1,5- dimethyl- 4- {[(E)- (4- oxo- 4H- chromen- 3- yl)methylidene]amino}- 2- phenyl- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: O=c1c(/C=N/c2c(=O)n(n(c2C)C)c2ccccc2)coc2c1cccc2

STK544875
Synonyms: (2Z,5Z)- 2- [(2,4- dichlorophenyl)imino]- 5- (4- ethoxy- 3- methoxybenzylidene)- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\S/C(=N\c2ccc(cc2Cl)Cl)/NC1=O

STK544880
Synonyms: N- benzyl- N- [1- (3- chlorophenyl)- 2,5- dioxopyrrolidin- 3- yl]acetamide
Smiles: Clc1cccc(c1)N1C(=O)CC(C1=O)N(C(=O)C)Cc1ccccc1

STK544881
Synonyms: 1- (2- hydroxyethyl)- 3- methyl- 1,5,6,7- tetrahydro- 4H- indazol- 4- one
Smiles: OCCn1nc(c2c1CCCC2=O)C

STK544884
Synonyms: 2'- [4- (phenylsulfanyl)phenyl]- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CC(N1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1)Sc1ccccc1)C

STK842162
Synonyms: prop- 2- en- 1- yl5- cyano- 4- (2- methoxyphenyl)- 2- methyl- 6- ({2- [(4- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1OC)C#N)SCC(=O)Nc1ccc(cc1)C

STK544888
Synonyms: N- (benzylcarbamoyl)- 3- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- 3- phenylpropanamide
Smiles: O=C(CC(N1C(=O)c2c(C1=O)cccc2)c1ccccc1)NC(=O)NCc1ccccc1

STK842165
Synonyms: 3- (3- chloro- 1- benzothiophen- 2- yl)- 5- [(4- nitrobenzyl)sulfanyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazole
Smiles: C=CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1sc2c(c1Cl)cccc2

STK544891
Synonyms: 1- [3- (morpholin- 4- yl)propyl]guanidine
Smiles: NC(=N)NCCCN1CCOCC1

STK842167
Synonyms: (3- amino- 6- ethyl- 5- methylthieno[2,3- b]pyridin- 2- yl)(1,3- benzodioxol- 5- yl)methanone
Smiles: CCc1nc2sc(c(c2cc1C)N)C(=O)c1ccc2c(c1)OCO2

STK544898
Synonyms: N- [(4,6- dimethylpyrimidin- 2- yl)sulfanyl]- 2- methoxyaniline
Smiles: COc1ccccc1NSc1nc(C)cc(n1)C

STK842169
Synonyms: 3- (4- methyl- 1,3- thiazol- 2- yl)- 7- [(pentafluorobenzyl)oxy]- 2H- chromen- 2- one
Smiles: Cc1csc(n1)c1cc2ccc(cc2oc1=O)OCc1c(F)c(F)c(c(c1F)F)F

STK544901
Synonyms: N- methyl- 3- [3- (phenylsulfanyl)- 1H- indol- 2- yl]propanamide
Smiles: CNC(=O)CCc1[nH]c2c(c1Sc1ccccc1)cccc2

STK544902
Synonyms: 4- chloro- 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]phenyl3,4- dimethoxybenzoate
Smiles: COc1cc(ccc1OC)C(=O)Oc1ccc(cc1C(=O)/C=C/c1ccccc1OC)Cl

STK544904
Synonyms: 9'- bromo- 2'- phenyl- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccccc1)Br

STK544905
Synonyms: [2- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)ethyl](2- phenylethyl)phosphinicacid
Smiles: O=C1N(CCP(=O)(CCc2ccccc2)O)C(=O)c2c1cccc2

STK544911
Synonyms: 5,10,10- trimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Cc1nc2sc3c(c2c2n1cnn2)CC(OC3)(C)C

STK842173
Synonyms: 5- nitro- 4,6- di(pyrrolidin- 1- yl)pyrimidine
Smiles: [O-][N+](=O)c1c(ncnc1N1CCCC1)N1CCCC1

STK544923
Synonyms: 2- [(5Z)- 5- (4- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- phenylpropanoicacid
Smiles: OC(=O)C(N1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O)Cc1ccccc1

STK544937
Synonyms: 3,5- bis(4- bromophenyl)- 1- (methylsulfonyl)- 4,5- dihydro- 1H- pyrazole
Smiles: Brc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)Br)S(=O)(=O)C

STK544938
Synonyms: 5- (2,5- dimethylphenyl)- 4- phenyl- 2- [4- (propan- 2- yl)phenyl]- 1H- imidazole
Smiles: Cc1ccc(c(c1)c1[nH]c(nc1c1ccccc1)c1ccc(cc1)C(C)C)C

STK544945
Synonyms: (2E)- 3- {3- [(2- hydroxyethyl)sulfamoyl]- 4- methylphenyl}prop- 2- enoicacid
Smiles: OCCNS(=O)(=O)c1cc(/C=C/C(=O)O)ccc1C

STK842178
Synonyms: ethyl2- tert- butyl- 5- [(thiophen- 2- ylcarbonyl)oxy]- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)c1cccs1

STK842179
Synonyms: 1- [5- (4- fluorophenyl)- 3- (5- methylfuran- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]ethanone
Smiles: Fc1ccc(cc1)C1CC(=NN1C(=O)C)c1ccc(o1)C

STK544949
Synonyms: (2E)- 3- [3- (3,4- dihydroquinolin- 1(2H)- ylsulfonyl)- 4- methylphenyl]prop- 2- enoicacid
Smiles: OC(=O)/C=C/c1ccc(c(c1)S(=O)(=O)N1CCCc2c1cccc2)C

STK544950
Synonyms: 2- [4- (2- fluorophenyl)piperazin- 1- yl]- 1- (1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)propan- 1- one
Smiles: CC(C(=O)N1CCc2c(C1)c1ccccc1[nH]2)N1CCN(CC1)c1ccccc1F

STK842184
Synonyms: 1- [(1- phenyl- 1H- 1,2,4- triazol- 5- yl)methyl]pyrrolidin- 2- one
Smiles: O=C1CCCN1Cc1ncnn1c1ccccc1

STK544961
Synonyms: 3,5- dimethyl- 2,4,6- triphenylpiperidin- 4- ol
Smiles: CC1C(NC(C(C1(O)c1ccccc1)C)c1ccccc1)c1ccccc1

STK544962
Synonyms: 2- ({2- [(4- methylbenzyl)sulfanyl]- 1H- benzimidazol- 1- yl}carbonyl)benzoicacid
Smiles: Cc1ccc(cc1)CSc1nc2c(n1C(=O)c1ccccc1C(=O)O)cccc2

STK842185
Synonyms: 3,5- dimethyl- 1- {[(E)- 2- phenylethenyl]sulfonyl}- 1H- pyrazole
Smiles: Cc1cc(n(n1)S(=O)(=O)/C=C/c1ccccc1)C

STK544967
Synonyms: (2E)- 3- [3- (3,4- dihydroisoquinolin- 2(1H)- ylsulfonyl)- 4- methylphenyl]prop- 2- enoicacid
Smiles: OC(=O)/C=C/c1ccc(c(c1)S(=O)(=O)N1CCc2c(C1)cccc2)C

STK842188
Synonyms: ethyl3,6- diamino- 4- (4- chlorophenyl)- 5- cyanothieno[2,3- b]pyridine- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c(c1ccc(cc1)Cl)c(c(n2)N)C#N

STK842190
Synonyms: ethyl2- tert- butyl- 5- [(2- chloro- 6- fluorobenzyl)oxy]- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3c(F)cccc3Cl)ccc2oc1C(C)(C)C

STK842191
Synonyms: 2- (2,4- dimethoxy- 3- methylphenyl)- 4,5- di(thiophen- 2- yl)- 1H- imidazole
Smiles: COc1ccc(c(c1C)OC)c1[nH]c(c(n1)c1cccs1)c1cccs1

STK842193
Synonyms: 5- (4- fluorophenyl)- 3- (4- methylphenyl)- 1- (methylsulfonyl)- 4,5- dihydro- 1H- pyrazole
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)F)S(=O)(=O)C

STK544981
Synonyms: N,N- dimethyl- N'- (4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl)propane- 1,3- diamine
Smiles: CN(CCCNc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1)C

STK544982
Synonyms: (2E,5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 2- {[3- (trifluoromethyl)phenyl]imino}- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\S/C(=N/c2cccc(c2)C(F)(F)F)/NC1=O

STK544984
Synonyms: 4- chloro- N- (3- cyano- 1- cyclohexyl- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl)benzenesulfonamide
Smiles: N#Cc1c(NS(=O)(=O)c2ccc(cc2)Cl)n(c2c1nc1ccccc1n2)C1CCCCC1

STK544986
Synonyms: 4- [4- (2,3- dichlorophenyl)- 5- phenyl- 1H- imidazol- 2- yl]benzonitrile
Smiles: N#Cc1ccc(cc1)c1[nH]c(c(n1)c1cccc(c1Cl)Cl)c1ccccc1

STK544993
Synonyms: 2- [(3- phenylprop- 2- yn- 1- yl)sulfanyl]- 1,3- benzothiazole
Smiles: c1ccc(cc1)C#CCSc1nc2c(s1)cccc2

STK544996
Synonyms: (2E)- 3- (naphthalen- 1- yl)- 1- [2- (prop- 2- yn- 1- ylsulfanyl)- 1H- benzimidazol- 1- yl]prop- 2- en- 1- one
Smiles: C#CCSc1nc2c(n1C(=O)/C=C/c1cccc3c1cccc3)cccc2

STK842198
Synonyms: ethyl(6,7- dihydro- 5H- pyrrolo[1,2- a]imidazol- 2- ylsulfanyl)acetate
Smiles: CCOC(=O)CSc1cn2c(n1)CCC2

STK842199
Synonyms: 4- methyl- 2- [(2E)- 3- (4- methylphenyl)prop- 2- enoyl]phenylfuran- 2- carboxylate
Smiles: Cc1ccc(c(c1)C(=O)/C=C/c1ccc(cc1)C)OC(=O)c1ccco1

STK545009
Synonyms: 2- (5- bromo- 2- methoxyphenyl)- 4,5- bis(4- methoxyphenyl)- 1H- imidazole
Smiles: COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1cc(Br)ccc1OC

STK842203
Synonyms: 4- (4- fluorophenyl)- 2- [(naphthalen- 1- ylmethyl)sulfanyl]- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCc2cccc3c2cccc3)NC(=O)CC1c1ccc(cc1)F

STK842206
Synonyms: N,N- diethyl- 2- methyl- 5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)benzenesulfonamide
Smiles: CCN(S(=O)(=O)c1cc(ccc1C)c1nn(C)c(=O)c2c1cccc2)CC

STK842207
Synonyms: N- (2- {[3- (9H- carbazol- 9- yl)- 2- hydroxypropyl][(4- methylphenyl)sulfonyl]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccccc1N(S(=O)(=O)c1ccc(cc1)C)CC(Cn1c2ccccc2c2c1cccc2)O

STK545024
Synonyms: 3- [2- (2,3- dichlorophenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1cccc(c1Cl)Cl

STK842213
Synonyms: 3- chloro- 4- (morpholin- 4- yl)- 1- (2- phenylethyl)- 1H- pyrrole- 2,5- dione
Smiles: O=C1C(=C(C(=O)N1CCc1ccccc1)Cl)N1CCOCC1

STK545031
Synonyms: 4- [3- acetyl- 2- (4- bromophenyl)- 4- hydroxy- 5- oxo- 2,5- dihydro- 1H- pyrrol- 1- yl]benzoicacid
Smiles: Brc1ccc(cc1)C1N(c2ccc(cc2)C(=O)O)C(=O)C(=C1C(=O)C)O

STK545033
Synonyms: 2,7- bis[2- (4- chlorophenyl)ethyl]benzo[lmn][3,8]phenanthroline- 1,3,6,8(2H,7H)- tetrone
Smiles: Clc1ccc(cc1)CCn1c(=O)c2ccc3c4c2c(c1=O)ccc4c(=O)n(c3=O)CCc1ccc(cc1)Cl

STK842216
Synonyms: ethyl4- {[4- (acetylamino)phenyl]amino}- 6,8- dichloroquinoline- 3- carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)NC(=O)C)cc(cc2Cl)Cl

STK545035
Synonyms: methyl5- bromo- 1- [2- (dipropan- 2- ylamino)ethyl]- 6- oxo- 1,6- dihydropyridine- 3- carboxylate
Smiles: COC(=O)c1cn(CCN(C(C)C)C(C)C)c(=O)c(c1)Br

STK842219
Synonyms: 5- cyano- 6- ({2- [(4- fluorophenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (furan- 2- yl)- N- (2- methoxyphenyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK842221
Synonyms: 4- (1,3- benzothiazol- 2- yl)butanehydrazide
Smiles: NNC(=O)CCCc1nc2c(s1)cccc2

STK545044
Synonyms: ethyl({5- [5- (1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)pentyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)acetate
Smiles: CCOC(=O)CSc1nnc(o1)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK545045
Synonyms: N- ({2- [(2,4- dihydroxyphenyl)carbonyl]hydrazinyl}carbonothioyl)benzamide
Smiles: S=C(NC(=O)c1ccccc1)NNC(=O)c1ccc(cc1O)O

STK545047
Synonyms: N- (3- cyano- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl)- 2- {[3- cyano- 4- methyl- 6- (trifluoromethyl)pyridin- 2- yl]sulfanyl}acetamide
Smiles: N#Cc1c(C)cc(nc1SCC(=O)Nc1sc2c(c1C#N)CCC2)C(F)(F)F

STK842225
Synonyms: N~2~- benzyl- N~4~- (3- chloro- 4- methylphenyl)- 6- methylpyrimidine- 2,4- diamine
Smiles: Cc1cc(Nc2ccc(c(c2)Cl)C)nc(n1)NCc1ccccc1

STK545052
Synonyms: N- [(5Z)- 5- (2,4- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2- nitrobenzamide
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1[N+](=O)[O-]

STK842228
Synonyms: 1- cyclopentyl- 3- hydroxy- 4- methyl- 1,7- dihydro- 6H- pyrazolo[3,4- b]pyridin- 6- one
Smiles: Oc1nn(c2c1c(C)cc(=O)[nH]2)C1CCCC1

STK545060
Synonyms: 3- hydroxy- 1- (3- hydroxypropyl)- 4- [(4- methylphenyl)carbonyl]- 5- phenyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: OCCCN1C(=O)C(=C(C1c1ccccc1)C(=O)c1ccc(cc1)C)O

STK545076
Synonyms: (3S)- 2- (2- methylphenyl)- 3- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)cyclopropane- 1,1- dicarbonitrile
Smiles: N#CC1(C#N)[C@H](C1c1ccccc1C)C(=O)C12CC3CC(C2)CC(C1)C3

STK545079
Synonyms: 4- acetyl- 3- hydroxy- 1- [3- (morpholin- 4- yl)propyl]- 5- [4- (propan- 2- yl)phenyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CC(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)C(C)C)CCCN1CCOCC1

STK842237
Synonyms: 3- ethyl6- methyl4- [(4- acetylphenyl)amino]quinoline- 3,6- dicarboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)C(=O)C)cc(cc2)C(=O)OC

STK842239
Synonyms: N- (furan- 2- ylmethyl)- 2- (4- oxo- 5- phenylthieno[2,3- d]pyrimidin- 3(4H)- yl)acetamide
Smiles: O=C(Cn1cnc2c(c1=O)c(cs2)c1ccccc1)NCc1ccco1

STK545087
Synonyms: ethyl4- cyano- 5- [({[3- cyano- 4- (4- fluorophenyl)- 6- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}acetyl)amino]- 3- methylthiophene- 2- carboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nc(cc(c1C#N)c1ccc(cc1)F)c1cccs1

STK842242
Synonyms: 2- {[3- cyano- 4- (3- ethoxy- 4- hydroxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (4- nitrophenyl)acetamide
Smiles: CCOc1cc(ccc1O)C1CC(=O)NC(=C1C#N)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK842244
Synonyms: 3- (3,4- dimethoxyphenyl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- yl2- methylpropanoate
Smiles: COc1cc(ccc1OC)c1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)C(C)C

STK545105
Synonyms: 3- ({5- [(2- amino- 2- oxoethyl)(4- methylphenyl)amino]- 2,4- dioxo- 1,3- thiazolidin- 3- yl}methyl)benzoicacid
Smiles: NC(=O)CN(C1SC(=O)N(C1=O)Cc1cccc(c1)C(=O)O)c1ccc(cc1)C

STK545108
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [4- (2,4- dinitrophenoxy)- 3- methoxyphenyl]methylidene}- 5- [(4- methylpiperidin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CN2CCC(CC2)C)c2nonc2N)ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

STK545110
Synonyms: N,N'- bis(2- methoxyethyl)- 4,5- dinitro- 9- oxo- 9H- fluorene- 2,7- disulfonamide
Smiles: COCCNS(=O)(=O)c1cc2C(=O)c3c(c2c(c1)[N+](=O)[O-])c(cc(c3)S(=O)(=O)NCCOC)[N+](=O)[O-]

STK545114
Synonyms: 2- nitro- 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)c1ccccc1[N+](=O)[O-]

STK842252
Synonyms: 3- amino- N- (4- methoxyphenyl)- 4- (4- methylphenyl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccc(cc1)C)c1c(n2)CCCC1

STK545122
Synonyms: (5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 3- (4- hydroxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)O

STK545133
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(phenylamino)methyl]- N'- [(E)- pyridin- 2- ylmethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Nc1nonc1n1nnc(c1CNc1ccccc1)C(=O)N/N=C/c1ccccn1

STK545135
Synonyms: ethyl(2- {[(2Z)- 2- cyano- 3- (4- ethoxy- 3- methoxyphenyl)prop- 2- enoyl]amino}- 1,3- thiazol- 4- yl)acetate
Smiles: CCOC(=O)Cc1csc(n1)NC(=O)/C(=C\c1ccc(c(c1)OC)OCC)/C#N

STK842256
Synonyms: 3- amino- N- (4- nitrophenyl)- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: [O-][N+](=O)c1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCC1

STK545142
Synonyms: (4Z)- 2- (4- chlorophenyl)- 4- ({5- [3- (trifluoromethyl)phenyl]furan- 2- yl}methylidene)- 1,3- oxazol- 5(4H)- one
Smiles: Clc1ccc(cc1)C1=N/C(=C\c2ccc(o2)c2cccc(c2)C(F)(F)F)/C(=O)O1

STK545143
Synonyms: N'~1~,N'~7~- bis[(E)- 1H- indol- 3- ylmethylidene]heptanedihydrazide
Smiles: O=C(N/N=C/c1c[nH]c2c1cccc2)CCCCCC(=O)N/N=C/c1c[nH]c2c1cccc2

STK842259
Synonyms: (2E)- 2- cyano- 2- (hydroxyimino)ethanamide
Smiles: NC(=O)/C(=N/O)/C#N

STK545153
Synonyms: N- [(5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2- nitrobenzamide
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1[N+](=O)[O-]

STK545160
Synonyms: (2'R,3'R)- 2'- (4- bromophenyl)- 3'- [(4- chlorophenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 1,3- dione
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccc(cc1)Br)C(=O)c1c(C2=O)cccc1)cccc3

STK545162
Synonyms: 2- {[(2E)- 3- chlorobut- 2- en- 1- yl]sulfanyl}- 7- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- amine
Smiles: CC1CCc2c(C1)sc1c2c(N)nc(n1)SC/C=C(/Cl)\C

STK545163
Synonyms: (3Z)- 3- (2- chloro- 9H- thioxanthen- 9- ylidene)- N,N- dimethylpropan- 1- amine
Smiles: CN(CC/C=C\1/c2ccccc2Sc2c1cc(Cl)cc2)C

STK545165
Synonyms: 2- (4- chloro- 3- nitrophenyl)- 2- oxoethyl2- (4- bromophenyl)- 6- methylquinoline- 4- carboxylate
Smiles: Brc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)OCC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)C

STK545169
Synonyms: N- (furan- 2- ylmethyl)- 2- (6- methoxy- 2- methyl- 4- oxoquinolin- 1(4H)- yl)acetamide
Smiles: COc1ccc2c(c1)c(=O)cc(n2CC(=O)NCc1ccco1)C

STK842270
Synonyms: 8- [(2- methoxyethyl)sulfanyl]- 1,3- dimethyl- 7- (3- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COCCSc1nc2c(n1Cc1cccc(c1)C)c(=O)n(c(=O)n2C)C

STK545171
Synonyms: 3- amino- 2- [2- (4- bromophenyl)- 2- oxoethyl]- 4- formylcyclopent- 3- ene- 1,1,2- tricarbonitrile
Smiles: O=CC1=C(N)C(C(C1)(C#N)C#N)(C#N)CC(=O)c1ccc(cc1)Br

STK545172
Synonyms: 3- {[2- (4- nitrophenyl)quinazolin- 4- yl]amino}benzoicacid
Smiles: [O-][N+](=O)c1ccc(cc1)c1nc(Nc2cccc(c2)C(=O)O)c2c(n1)cccc2

STK545173
Synonyms: 1- (4- bromophenyl)- 4- [(4- bromophenyl)carbonyl]- 5- (2- fluorophenyl)- 3- hydroxy- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Brc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1F)c1ccc(cc1)Br

STK545174
Synonyms: 1- (1,3- benzothiazol- 2- yl)- 5- hydroxy- N- [(4- methylphenyl)sulfonyl]- 3- (trifluoromethyl)- 1H- pyrazole- 4- carboxamide
Smiles: Cc1ccc(cc1)S(=O)(=O)NC(=O)c1c(O)n(nc1C(F)(F)F)c1nc2c(s1)cccc2

STK842271
Synonyms: 2- {[3- cyano- 4- (3,4- dimethoxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)CC1c1ccc(c(c1)OC)OC

STK545179
Synonyms: 6- methyl- 4- (3- nitrophenyl)- 2- oxo- 1,2- dihydropyridine- 3- carbonitrile
Smiles: N#Cc1c(=O)[nH]c(cc1c1cccc(c1)[N+](=O)[O-])C

STK545181
Synonyms: 2- [4- (3,4- dihydroquinolin- 1(2H)- yl)quinazolin- 2- yl]phenol
Smiles: Oc1ccccc1c1nc2ccccc2c(n1)N1CCCc2c1cccc2

STK842274
Synonyms: 3- amino- 4- (2- chlorophenyl)- N- (4- methoxyphenyl)- 6,7- dihydro- 5H- cyclopenta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1c(n2)CCC1)c1ccccc1Cl

STK842279
Synonyms: 2- ({[4- chloro- 2- (trifluoromethyl)phenyl]amino}methylidene)- 5,5- dimethylcyclohexane- 1,3- dione
Smiles: Clc1ccc(c(c1)C(F)(F)F)NC=C1C(=O)CC(CC1=O)(C)C

STK545188
Synonyms: 2- [(3- butyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N,N- diphenylacetamide
Smiles: CCCCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK842281
Synonyms: 3- amino- 4- (furan- 2- yl)- N- phenyl- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCCC1)Nc1ccccc1

STK545190
Synonyms: 1- [6- (benzylsulfanyl)- 9H- purin- 9- yl]- 3- (morpholin- 4- yl)propan- 2- ol
Smiles: OC(Cn1cnc2c1ncnc2SCc1ccccc1)CN1CCOCC1

STK842283
Synonyms: 4- (2- fluorophenyl)- 2- {[2- (2- methyl- 2,3- dihydro- 1H- indol- 1- yl)- 2- oxoethyl]sulfanyl}- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCC(=O)N2C(C)Cc3c2cccc3)NC(=O)CC1c1ccccc1F

STK545191
Synonyms: (2E)- 2- [4- (diethylamino)benzylidene]- 1,3- dioxo- 2,3- dihydro- 1H- indene- 5- carboxylicacid
Smiles: CCN(c1ccc(cc1)/C=C/1\C(=O)c2c(C1=O)cc(cc2)C(=O)O)CC

STK842284
Synonyms: N~4~- benzyl- N~2~- (4- ethoxyphenyl)quinazoline- 2,4- diamine
Smiles: CCOc1ccc(cc1)Nc1nc(NCc2ccccc2)c2c(n1)cccc2

STK545192
Synonyms: 4- nitro- 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)[N+](=O)[O-]

STK545194
Synonyms: 2- {3- (4- nitrophenyl)- 5- [(2- oxo- 2- {[2- (propan- 2- yloxy)phenyl]amino}ethyl)sulfanyl]- 1H- 1,2,4- triazol- 1- yl}- N- [2- (propan- 2- yloxy)phenyl]acetamide
Smiles: O=C(Nc1ccccc1OC(C)C)CSc1nc(nn1CC(=O)Nc1ccccc1OC(C)C)c1ccc(cc1)[N+](=O)[O-]

STK842289
Synonyms: ethyl4- [(2- bromo- 4- methylphenoxy)acetyl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)COc1ccc(cc1Br)C

STK545197
Synonyms: 4- oxo- 4- [2- (pyridin- 4- ylcarbonyl)hydrazinyl]butanoicacid
Smiles: O=C(NNC(=O)c1ccncc1)CCC(=O)O

STK545199
Synonyms: 2- {3- oxo- 3- [2- (phenylcarbonyl)hydrazinyl]propyl}hexanoicacid
Smiles: CCCCC(C(=O)O)CCC(=O)NNC(=O)c1ccccc1

STK545203
Synonyms: 4- {(5Z)- 5- [4- (octyloxy)benzylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}benzoicacid
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)C(=O)O

STK545210
Synonyms: ethyl2- (2- hydroxyphenyl)- 5- methyl- 4- oxo- 1,2,3,4- tetrahydrothieno[3,4- d]pyrimidine- 7- carboxylate
Smiles: CCOC(=O)c1sc(c2c1NC(NC2=O)c1ccccc1O)C

STK545212
Synonyms: 2- (4- methoxyphenyl)- 3- {2- [4- (propan- 2- yl)phenoxy]ethyl}quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccc(cc1)C(C)C

STK545213
Synonyms: 5- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 1,3,4- oxadiazole- 2(3H)- thione
Smiles: S=c1[nH]nc(o1)CSc1nc2c(s1)cccc2

STK545215
Synonyms: N'- [(E)- (3- bromo- 2- hydroxy- 5- nitrophenyl)methylidene]tricyclo[4.3.1.1~3,8~]undecane- 1- carbohydrazide
Smiles: Brc1cc(cc(c1O)/C=N/NC(=O)C12CC3CCC(C1)CC(C2)C3)[N+](=O)[O-]

STK545221
Synonyms: (5Z)- 5- (4- fluorobenzylidene)- 2- (phenylamino)- 1,3- thiazol- 4(5H)- one
Smiles: Fc1ccc(cc1)/C=C/1\SC(=NC1=O)Nc1ccccc1

STK545222
Synonyms: methyl5- chloro- 3- {[3- (thiomorpholin- 4- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCSCC1)cc(cc2)Cl

STK545223
Synonyms: ethyl5- cyclohexyl- 4,6- dioxo- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C1CCCCC1

STK545224
Synonyms: 1,5- bis(4- bromophenyl)- 3- [(4- bromophenyl)amino]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Brc1ccc(cc1)NC1=CC(N(C1=O)c1ccc(cc1)Br)c1ccc(cc1)Br

STK545227
Synonyms: 2- ethyl- 8,8- dimethyl- 3- (2- methylpropyl)- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 4(3H)- one
Smiles: CCc1nc2c3cc4COC(Cc4nc3sc2c(=O)n1CC(C)C)(C)C

STK842299
Synonyms: 3- amino- N- (4- bromophenyl)- 4- (furan- 2- yl)- 6,7- dihydro- 5H- cyclopenta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: Brc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCC1

STK545229
Synonyms: 2- {[6- (1,3- benzodioxol- 5- yl)- 3- cyanopyridin- 2- yl]sulfanyl}- N- (3,4- dichlorobenzyl)acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)NCc1ccc(c(c1)Cl)Cl)c1ccc2c(c1)OCO2

STK545233
Synonyms: 3- {(5Z)- 4- oxo- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 3- yl}propanoicacid
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCC(=O)O

STK842303
Synonyms: 1- (benzyloxy)- 3- (2- methyl- 1H- benzimidazol- 1- yl)propan- 2- ol
Smiles: OC(Cn1c(C)nc2c1cccc2)COCc1ccccc1

STK545234
Synonyms: 2- {4- [(3,4- dichlorophenyl)amino]- 6- methylpyrimidin- 2- yl}phenol
Smiles: Cc1cc(Nc2ccc(c(c2)Cl)Cl)nc(n1)c1ccccc1O

STK545239
Synonyms: prop- 2- en- 1- ylcyano{3- [4- (2- methoxyphenyl)piperazin- 1- yl]quinoxalin- 2- yl}acetate
Smiles: C=CCOC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)c1ccccc1OC)C#N

STK545243
Synonyms: 2- {(5Z)- 4- oxo- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 3- yl}- 3- phenylpropanoicacid
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)Cc1ccccc1

STK842306
Synonyms: 3- amino- 4- (4- methylphenyl)- N- phenyl- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Cc1ccc(cc1)c1c2CCCCc2nc2c1c(N)c(s2)C(=O)Nc1ccccc1

STK545253
Synonyms: 4- bromo- N- [(5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)Br

STK545254
Synonyms: (5Z)- 2- [(3- methylphenyl)amino]- 5- (pyridin- 3- ylmethylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Cc1cccc(c1)NC1=NC(=O)/C(=C/c2cccnc2)/S1

STK842309
Synonyms: 2- methyl- 5- [4- (phenylamino)phthalazin- 1- yl]- N- (pyridin- 3- ylmethyl)benzenesulfonamide
Smiles: Cc1ccc(cc1S(=O)(=O)NCc1cccnc1)c1nnc(c2c1cccc2)Nc1ccccc1

STK545260
Synonyms: (5Z)- 3- (4- ethoxyphenyl)- 5- [4- (octyloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)OCC

STK545263
Synonyms: 2- (4- methylphenyl)- 2- oxoethyl1,3- dioxo- 2- (quinolin- 5- yl)- 2,3- dihydro- 1H- isoindole- 5- carboxylate
Smiles: Cc1ccc(cc1)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cccc2c1cccn2

STK545265
Synonyms: N'- (8- chloro- 5H- pyrimido[5,4- b]indol- 4- yl)- N,N- diethylethane- 1,2- diamine
Smiles: CCN(CCNc1ncnc2c1[nH]c1c2cc(cc1)Cl)CC

STK545269
Synonyms: N- (4- bromophenyl)- N- [3- (9H- carbazol- 9- yl)- 2- hydroxypropyl]- 4- chlorobenzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccc(cc1)Cl)c1ccc(cc1)Br)Cn1c2ccccc2c2c1cccc2

STK545271
Synonyms: 4- butyl- N,N- diethyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: CCCCc1nc2sc3c(c2c2c1CCC2)ncnc3N(CC)CC

STK842317
Synonyms: (2E)- N- [(2- iodophenyl)carbamothioyl]- 3- (thiophen- 2- yl)prop- 2- enamide
Smiles: O=C(NC(=S)Nc1ccccc1I)/C=C/c1cccs1

STK545285
Synonyms: 4- [(2E)- 2- (4- ethoxybenzylidene)hydrazinyl]pyrimidin- 2(1H)- one
Smiles: CCOc1ccc(cc1)/C=N/Nc1cc[nH]c(=O)n1

STK545287
Synonyms: 2- {[3- cyano- 6- phenyl- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- cyclopropylacetamide
Smiles: N#Cc1c(SCC(=O)NC2CC2)nc(cc1c1cccs1)c1ccccc1

STK545292
Synonyms: 1,1'- (9H- fluorene- 2,7- diyldisulfonyl)bis{4- [2- (4- methylphenoxy)ethyl]piperazine}
Smiles: Cc1ccc(cc1)OCCN1CCN(CC1)S(=O)(=O)c1ccc2c(c1)Cc1c2ccc(c1)S(=O)(=O)N1CCN(CC1)CCOc1ccc(cc1)C

STK842321
Synonyms: N- [(1E,2Z)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 4- (naphthalen- 1- ylmethyl)piperazin- 1- amine
Smiles: C/C(=C/c1ccccc1)/C=N/N1CCN(CC1)Cc1cccc2c1cccc2

STK842323
Synonyms: 3- amino- N- (3- chloro- 4- methylphenyl)- 4- (furan- 2- yl)- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: Cc1ccc(cc1Cl)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCCC1

STK842325
Synonyms: ethyl2- {[2- (benzyloxy)ethyl]amino}- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: CCOC(=O)c1sc(nc1C)NCCOCc1ccccc1

STK545303
Synonyms: 7,8- dimethoxy- 2- [4- (2- methoxyphenoxy)butyl]phthalazin- 1(2H)- one
Smiles: COc1ccccc1OCCCCn1ncc2c(c1=O)c(OC)c(cc2)OC

STK842327
Synonyms: N,N- dimethyl- 4- ({[4- (4- methylphenyl)- 1- oxophthalazin- 2(1H)- yl]acetyl}amino)benzamide
Smiles: O=C(Cn1nc(c2ccc(cc2)C)c2c(c1=O)cccc2)Nc1ccc(cc1)C(=O)N(C)C

STK842328
Synonyms: N- [3- (piperidin- 1- ylcarbonyl)- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl]thiophene- 2- carboxamide
Smiles: O=C(c1c(sc2c1CCCC2)NC(=O)c1cccs1)N1CCCCC1

STK545320
Synonyms: (5Z)- 5- (1H- indol- 3- ylmethylidene)- 2- (phenylamino)- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1c[nH]c2c1cccc2)Nc1ccccc1

STK545323
Synonyms: 1- (6- nitro- 4- phenylquinazolin- 2- yl)proline
Smiles: OC(=O)C1CCCN1c1nc2ccc(cc2c(n1)c1ccccc1)[N+](=O)[O-]

STK842332
Synonyms: 2- [4- (4- chlorophenyl)- 1- oxophthalazin- 2(1H)- yl]- N- (pyridin- 3- ylmethyl)acetamide
Smiles: O=C(Cn1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2)NCc1cccnc1

STK545325
Synonyms: 6- (2- {[(E)- (3,5- dibromo- 4- hydroxyphenyl)methylidene]amino}phenoxy)- 1,3- dimethylpyrimidine- 2,4(1H,3H)- dione
Smiles: Brc1cc(/C=N/c2ccccc2Oc2cc(=O)n(c(=O)n2C)C)cc(c1O)Br

STK545326
Synonyms: N- [3- (9H- carbazol- 9- yl)- 2- hydroxypropyl]- 4- methyl- N- (naphthalen- 1- yl)benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(c1cccc2c1cccc2)CC(Cn1c2ccccc2c2c1cccc2)O

STK842334
Synonyms: {4- amino- 2- [(3- chlorophenyl)amino]- 1,3- thiazol- 5- yl}(3,4- dimethoxyphenyl)methanone
Smiles: COc1cc(ccc1OC)C(=O)c1sc(nc1N)Nc1cccc(c1)Cl

STK545329
Synonyms: 3- methyl- 2- {(5Z)- 4- oxo- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 3- yl}butanoicacid
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C(C)C

STK545330
Synonyms: methyl5- bromo- 6- oxo- 1- (2- phenylethyl)- 1,6- dihydropyridine- 3- carboxylate
Smiles: COC(=O)c1cn(CCc2ccccc2)c(=O)c(c1)Br

STK545333
Synonyms: (2E)- N- {[4- (carbamimidoylsulfamoyl)phenyl]carbamothioyl}- 3- (3,4- dimethoxyphenyl)prop- 2- enamide
Smiles: COc1cc(/C=C/C(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)NC(=N)N)ccc1OC

STK545334
Synonyms: prop- 2- en- 1- yl4- [4- (benzyloxy)- 3- methoxyphenyl]- 5- cyano- 2- methyl- 6- {[2- (4- methylphenyl)- 2- oxoethyl]sulfanyl}- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)c1ccc(cc1)C

STK842338
Synonyms: N,2- dimethyl- 5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)benzenesulfonamide
Smiles: CNS(=O)(=O)c1cc(ccc1C)c1nn(C)c(=O)c2c1cccc2

STK842339
Synonyms: 1- (chloromethyl)- 3H- benzo[f]chromen- 3- one
Smiles: ClCc1cc(=O)oc2c1c1ccccc1cc2

STK545339
Synonyms: (5Z)- 3- (2,4- dimethylphenyl)- 5- [4- (octyloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1C)C

STK545342
Synonyms: N- [2- (2- amino- 3- cyano- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl)ethyl]- 3- nitrobenzamide
Smiles: N#Cc1c(N)n(c2c1nc1ccccc1n2)CCNC(=O)c1cccc(c1)[N+](=O)[O-]

STK842348
Synonyms: 2- {[3- cyano- 4- (4- fluorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (4- nitrophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])NC(=O)CC1c1ccc(cc1)F

STK545349
Synonyms: 2- (1- benzyl- 1H- indol- 3- yl)butanedioicacid
Smiles: OC(=O)CC(c1cn(c2c1cccc2)Cc1ccccc1)C(=O)O

STK842351
Synonyms: 3- amino- 7,7- dimethyl- 5- oxo- N,N- diphenyl- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CC(CC1=O)(C)C)N(c1ccccc1)c1ccccc1

STK545353
Synonyms: 2- [2- (3,4- dimethoxybenzyl)- 1H- benzimidazol- 1- yl]- N'- [(Z)- (1- methyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]acetohydrazide
Smiles: COc1cc(ccc1OC)Cc1nc2c(n1CC(=O)NN/C=C\1/c3ccccc3N(C1=O)C)cccc2

STK842352
Synonyms: 2- {[6- (1,3- benzodioxol- 5- yl)- 3- cyanopyridin- 2- yl]sulfanyl}- N- [2- (3,4- dimethoxyphenyl)ethyl]acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)NCCc1ccc(c(c1)OC)OC)c1ccc2c(c1)OCO2

STK545355
Synonyms: N- (3- cyano- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl)- 2- {[3- cyano- 4- phenyl- 6- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nc(cc1c1ccccc1)c1cccs1

STK545359
Synonyms: 8- chloro- 4- [4- (3- methoxyphenyl)- 3- methylpiperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1c2cc(cc1)Cl

STK842362
Synonyms: 3- chloro- 4- {[3- (morpholin- 4- yl)propyl]amino}- 1- (2- phenylethyl)- 1H- pyrrole- 2,5- dione
Smiles: O=C1N(CCc2ccccc2)C(=O)C(=C1NCCCN1CCOCC1)Cl

STK545367
Synonyms: (5Z)- 3- (2,4- dimethylphenyl)- 5- (4- ethoxy- 3- methoxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1C)C

STK842363
Synonyms: N- [3- (9H- carbazol- 9- yl)- 2- hydroxypropyl]- 4- chloro- N- (3- methylphenyl)benzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccc(cc1)Cl)c1cccc(c1)C)Cn1c2ccccc2c2c1cccc2

STK545375
Synonyms: methyl4- [(2,6,8- trimethylquinolin- 4- yl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)Nc1cc(C)nc2c1cc(C)cc2C

STK545376
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {5- chloro- 2- [(2- chloro- 6- fluorobenzyl)oxy]phenyl}methylidene]- 5- [(4- methylpiperazin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CN1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl

STK842364
Synonyms: N- [(E)- (2- methoxyphenyl)methylidene]- 4- (naphthalen- 1- ylmethyl)piperazin- 1- amine
Smiles: COc1ccccc1/C=N/N1CCN(CC1)Cc1cccc2c1cccc2

STK545382
Synonyms: (2E)- 3- (3,4- diethoxyphenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoicacid
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)O)/NC(=O)c1ccccc1

STK842369
Synonyms: (2E)- 2- (3,4- dihydroxybenzylidene)- N- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)hydrazinecarboxamide
Smiles: O=C(NC12CC3CC(C2)CC(C1)C3)N/N=C/c1ccc(c(c1)O)O

STK545405
Synonyms: 1- [4- (4- bromophenyl)- 6- hydroxy- 3,6- dimethyl- 4,5,6,7- tetrahydro- 3aH- indazol- 5- yl]ethanone
Smiles: Brc1ccc(cc1)C1C2C(=NN=C2CC(C1C(=O)C)(C)O)C

STK842377
Synonyms: 1- (4- methoxy- 3- nitrobenzyl)pyrimidine- 2,4(1H,3H)- dione
Smiles: COc1ccc(cc1[N+](=O)[O-])Cn1ccc(=O)[nH]c1=O

STK842378
Synonyms: 3- (3,4- dimethoxyphenyl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- ylacetate
Smiles: COc1cc(ccc1OC)c1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)C

STK545425
Synonyms: 3- cyclohexyl- 6- hydroxy- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)pyrimidine- 2,4(1H,3H)- dione
Smiles: Oc1[nH]c(=O)n(c(=O)c1C1NCCc2c1cccc2)C1CCCCC1

STK545430
Synonyms: (5Z)- 5- [4- (octyloxy)benzylidene]- 1,3- thiazolidine- 2,4- dione
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=O)NC1=O

STK545432
Synonyms: (5Z)- 2- [(2,3- dichlorophenyl)amino]- 5- [4- (octyloxy)benzylidene]- 1,3- thiazol- 4(5H)- one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=NC1=O)Nc1cccc(c1Cl)Cl

STK842385
Synonyms: 3- amino- N- (4- bromophenyl)- 4- (furan- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Brc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCC1

STK545435
Synonyms: ethyl3- {[(2- fluorophenyl)carbonyl]amino}- 5- methyl- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1ccccc1F)cc(cc2)C

STK545437
Synonyms: ethyl4- (4- benzylpiperazin- 1- yl)- 6,8- dichloroquinoline- 3- carboxylate
Smiles: CCOC(=O)c1cnc2c(c1N1CCN(CC1)Cc1ccccc1)cc(cc2Cl)Cl

STK842387
Synonyms: N- {4- [3- (9H- carbazol- 9- yl)- 2- hydroxypropoxy]phenyl}- N- methylacetamide
Smiles: OC(Cn1c2ccccc2c2c1cccc2)COc1ccc(cc1)N(C(=O)C)C

STK545438
Synonyms: N- [3- (9H- carbazol- 9- yl)- 2- hydroxypropyl]- 4- chloro- N- (4- chlorophenyl)benzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cn1c2ccccc2c2c1cccc2

STK545440
Synonyms: 3- ({5- [(2- ethoxy- 2- oxoethyl)(3- methylphenyl)amino]- 2,4- dioxo- 1,3- thiazolidin- 3- yl}methyl)benzoicacid
Smiles: CCOC(=O)CN(C1SC(=O)N(C1=O)Cc1cccc(c1)C(=O)O)c1cccc(c1)C

STK842388
Synonyms: 4- acetyl- 5- (4- fluorophenyl)- 3- hydroxy- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Fc1ccc(cc1)C1NC(=O)C(=C1C(=O)C)O

STK842390
Synonyms: ethyl2- ({[(5,6- dimethyl- 4- oxo- 3,4- dihydrothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetyl}amino)- 4,5- dimethylthiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2[nH]c(=O)c3c(n2)sc(c3C)C)sc(c1C)C

STK842392
Synonyms: propan- 2- yl2- (4- oxo- 6- phenylthieno[2,3- d]pyrimidin- 3(4H)- yl)butanoate
Smiles: CCC(n1cnc2c(c1=O)cc(s2)c1ccccc1)C(=O)OC(C)C

STK545448
Synonyms: 1- (3,4- dimethoxybenzyl)- 2- methyl- 1H- benzimidazole
Smiles: COc1cc(ccc1OC)Cn1c(C)nc2c1cccc2

STK545452
Synonyms: 3- ({5- [(4- chlorophenyl)amino]- 2,4- dioxo- 1,3- thiazolidin- 3- yl}methyl)benzoicacid
Smiles: Clc1ccc(cc1)NC1SC(=O)N(C1=O)Cc1cccc(c1)C(=O)O

STK545457
Synonyms: 4- {[2- (benzylamino)- 6- methylpyrimidin- 4- yl]oxy}benzonitrile
Smiles: N#Cc1ccc(cc1)Oc1cc(C)nc(n1)NCc1ccccc1

STK842397
Synonyms: N- [3- (9H- carbazol- 9- yl)- 2- hydroxypropyl]- 4- chloro- N- (2- methylphenyl)benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)N(c1ccccc1C)CC(Cn1c2ccccc2c2c1cccc2)O

STK842402
Synonyms: 2- [(2- ethyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl)sulfanyl]- 1- phenylethanone
Smiles: CCc1nc(SCC(=O)c2ccccc2)c2c(n1)sc1c2CCCC1

STK842403
Synonyms: 3- (4- benzylpiperazin- 1- yl)- 4- chloro- 1- (4- methoxyphenyl)- 1H- pyrrole- 2,5- dione
Smiles: COc1ccc(cc1)N1C(=O)C(=C(C1=O)Cl)N1CCN(CC1)Cc1ccccc1

STK545465
Synonyms: methyl5- cyano- 4- (4- methoxyphenyl)- 6- ({2- [(4- methoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: COc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(C(=O)N1)C(=O)OC)c1ccc(cc1)OC

STK545467
Synonyms: methyl1- [(cyclohexylcarbamoyl)amino]cyclohexanecarboxylate
Smiles: COC(=O)C1(CCCCC1)NC(=O)NC1CCCCC1

STK545469
Synonyms: 5- cyano- 6- ({2- [(4- fluorophenyl)amino]- 2- oxoethyl}sulfanyl)- N- (2- methoxyphenyl)- 2- methyl- 4- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1OC)C

STK545470
Synonyms: (2E)- 3- (4- methoxyphenyl)- N- ({4- [(6- methoxypyrimidin- 4- yl)sulfamoyl]phenyl}carbamothioyl)prop- 2- enamide
Smiles: COc1ccc(cc1)/C=C/C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncnc(c1)OC

STK842404
Synonyms: 6- (1,3- dioxo- 1H- benzo[de]isoquinolin- 2(3H)- yl)- N- (pyridin- 3- ylmethyl)hexanamide
Smiles: O=C(NCc1cccnc1)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK545471
Synonyms: 4- (4- methyl- 5- nitro- 6- phenoxypyrimidin- 2- yl)morpholine
Smiles: [O-][N+](=O)c1c(C)nc(nc1Oc1ccccc1)N1CCOCC1

STK545484
Synonyms: (3- chlorotricyclo[3.3.1.1~3,7~]dec- 1- yl)(piperidin- 1- yl)methanone
Smiles: O=C(C12CC3CC(C1)CC(C2)(C3)Cl)N1CCCCC1

STK545490
Synonyms: 4- methyl- N- (4- methyl- 5- {[(2Z)- 2- (1- phenylethylidene)hydrazinyl]carbonyl}- 1,3- thiazol- 2- yl)benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1nc(c(s1)C(=O)N/N=C(\c1ccccc1)/C)C

STK545493
Synonyms: 2- (tert- butylamino)- 2- oxoethylN'- cyano- N- propan- 2- ylcarbamimidothioate
Smiles: N#C/N=C(/NC(C)C)\SCC(=O)NC(C)(C)C

STK842413
Synonyms: (2E)- 2- cyano- 3- (2,5- dimethyl- 1H- pyrrol- 3- yl)- N- (furan- 2- ylmethyl)prop- 2- enamide
Smiles: N#C/C(=C\c1cc([nH]c1C)C)/C(=O)NCc1ccco1

STL036495
Synonyms: (2E)- 1- phenyl- 3- (quinoxalin- 6- yl)prop- 2- en- 1- one
Smiles: O=C(c1ccccc1)/C=C/c1ccc2c(c1)nccn2

STK545494
Synonyms: 5- imino- 3- (2- phenylethyl)- 4,5- dihydro- 1,2,3- oxadiazol- 3- ium- 4- ide
Smiles: N=C1ON=[N+]([CH-]1)CCc1ccccc1

STK545495
Synonyms: 1- [6- amino- 8- (morpholin- 4- yl)- 3H- purin- 3- yl]- 3- (morpholin- 4- yl)propan- 2- ol
Smiles: OC(Cn1cnc(c2c1nc(n2)N1CCOCC1)N)CN1CCOCC1

STK545499
Synonyms: (5Z)- 3- (phenylamino)- 5- (pyridin- 3- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2cccnc2)/C(=O)N1Nc1ccccc1

STK545502
Synonyms: N- [(5Z)- 5- (2,4- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- fluorobenzamide
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)F

STK545503
Synonyms: methyl5- chloro- 3- {[3- (piperidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCCC1)cc(cc2)Cl

STK842415
Synonyms: N- (3- aminophenyl)pyridine- 2- carboxamide
Smiles: Nc1cccc(c1)NC(=O)c1ccccn1

STK545516
Synonyms: (5Z)- 5- (2,4- dimethoxybenzylidene)- 3- (naphthalen- 2- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1ccc(c(c1)OC)/C=C/1\SC(=S)N(C1=O)c1ccc2c(c1)cccc2

STK545524
Synonyms: prop- 2- en- 1- yl4- [4- (benzyloxy)- 3- methoxyphenyl]- 6- ({2- [(3- chlorophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)Nc1cccc(c1)Cl

STK842421
Synonyms: 5- (3- bromophenyl)- 4- phenyl- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Brc1cccc(c1)c1n[nH]c(=S)n1c1ccccc1

STK842423
Synonyms: 3- amino- 4- (4- methylphenyl)- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: Cc1ccc(cc1)c1c2CCCCCc2nc2c1c(N)c(s2)C(=O)N

STK842424
Synonyms: N- (3- bromophenyl)- 2- [4- (4- chlorophenyl)- 1- oxophthalazin- 2(1H)- yl]acetamide
Smiles: O=C(Cn1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2)Nc1cccc(c1)Br

STK842426
Synonyms: 2- {[3- cyano- 4- (2- fluorophenyl)- 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)CC1c1ccccc1F

STK545534
Synonyms: ethyl[(2- ethyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc(CC)nc2c1c1CCCCc1s2

STK545535
Synonyms: 2- (4- methoxyphenyl)- 3- [2- (3- methylphenoxy)ethyl]quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1cccc(c1)C

STK545537
Synonyms: 2- {[6- amino- 3,5- dicyano- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- (3,5- dichlorophenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2cc(Cl)cc(c2)Cl)nc(c(c1c1cccs1)C#N)N

STK545540
Synonyms: (5Z)- 3- (phenylamino)- 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)Nc1ccccc1

STK545553
Synonyms: butyl(4- hydroxy- 6- methyl- 2- phenylpyrimidin- 5- yl)acetate
Smiles: CCCCOC(=O)Cc1c(C)nc(nc1O)c1ccccc1

STK842432
Synonyms: 5- {4- [(4- hydroxyphenyl)amino]phthalazin- 1- yl}- 2- methyl- N- (pyridin- 3- ylmethyl)benzenesulfonamide
Smiles: Oc1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCc1cccnc1)C

STK545555
Synonyms: (3aR,4S,9aR,9bS)- 4- [(3- bromo- 4- methoxyphenyl)carbonyl]- 2- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 8- (phenylcarbonyl)- 3a,4,9a,9b- tetrahydro- 1H- pyrrolo[3,4- a]indolizine- 1,3(2H)- dione
Smiles: COc1ccc(cc1Br)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)C(=O)c1ccccc1

STK545556
Synonyms: 2- methoxy- N- {(5Z)- 5- [4- (octyloxy)benzylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}benzamide
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1OC

STK545558
Synonyms: N- {4- bromo- 2- [(2- chlorophenyl)carbonyl]phenyl}- 2- chloroacetamide
Smiles: ClCC(=O)Nc1ccc(cc1C(=O)c1ccccc1Cl)Br

STK545559
Synonyms: 4- [3- acetyl- 2- (2- fluorophenyl)- 4- hydroxy- 5- oxo- 2,5- dihydro- 1H- pyrrol- 1- yl]butanoicacid
Smiles: OC(=O)CCCN1C(=O)C(=C(C1c1ccccc1F)C(=O)C)O

STK545561
Synonyms: 2- butyl- 4- (ethylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCCc1nc(SCC)c2c(n1)sc1c2CC(OC1)(C)C

STK545565
Synonyms: 2- (diethylamino)- 2- oxoethylN'- cyano- N- (2- fluorophenyl)carbamimidothioate
Smiles: N#C/N=C(/Nc1ccccc1F)\SCC(=O)N(CC)CC

STK545566
Synonyms: 2- {(E)- [(5- chloropyridin- 2- yl)imino]methyl}- 1- benzothiophene- 3- ol
Smiles: Clc1ccc(nc1)/N=C/c1sc2c(c1O)cccc2

STK842436
Synonyms: 2- {[3- cyano- 4- (2- fluorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinolin- 2- yl]sulfanyl}- N- (3- methoxyphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)OC)NC2=C(C1c1ccccc1F)C(=O)CCC2

STK545568
Synonyms: ethyl{1,1,1,3,3,3- hexafluoro- 2- [(6- nitro- 1,3- benzothiazol- 2- yl)amino]propan- 2- yl}carbamate
Smiles: CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1nc2c(s1)cc(cc2)[N+](=O)[O-]

STK545571
Synonyms: 4- methyl- N- {(5Z)- 5- [4- (octyloxy)benzylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}benzamide
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)C

STK842440
Synonyms: 2- {[3- cyano- 4- (2- fluorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (9- ethyl- 9H- carbazol- 3- yl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)NC(=O)CC1c1ccccc1F

STK842441
Synonyms: 4- acetyl- 5- (4- fluorophenyl)- 3- hydroxy- 1- methyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Fc1ccc(cc1)C1N(C)C(=O)C(=C1C(=O)C)O

STK545577
Synonyms: 4- amino- N'- [(E)- {3- ethoxy- 4- [(4- fluorobenzyl)oxy]phenyl}methylidene]- 1,2,5- oxadiazole- 3- carbohydrazonamide
Smiles: CCOc1cc(/C=N/N=C(/c2nonc2N)\N)ccc1OCc1ccc(cc1)F

STK545579
Synonyms: 3- (4- fluorophenyl)- 6- hydroxy- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)pyrimidine- 2,4(1H,3H)- dione
Smiles: Fc1ccc(cc1)n1c(=O)[nH]c(c(c1=O)C1NCCc2c1cccc2)O

STK545583
Synonyms: 2- methoxyphenazine
Smiles: COc1ccc2c(c1)nc1c(n2)cccc1

STK545586
Synonyms: 11- (4- methoxybenzyl)- 3- (1- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccc(cc1)Cn1c2ncn(c(=O)c2c2c1nc1ccccc1n2)C(c1ccccc1)C

STK545589
Synonyms: N- (2,5- dimethoxyphenyl)- 2- [(4- oxo- 3,4- dihydroquinazolin- 2- yl)sulfanyl]acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1)OC

STK842446
Synonyms: 3- amino- N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 5- oxo- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CCCC1=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK545600
Synonyms: ethyl5- fluoro- 3- {[(2- fluorophenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1ccccc1F)cc(cc2)F

STK842448
Synonyms: 6- {[4- (dimethylamino)- 6- methoxy- 1,3,5- triazin- 2- yl]oxy}- 2- methylpyridazin- 3(2H)- one
Smiles: COc1nc(Oc2ccc(=O)n(n2)C)nc(n1)N(C)C

STK545602
Synonyms: 2- methoxy- N- [(5Z)- 4- oxo- 5- (pyridin- 3- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1ccccc1C(=O)NN1C(=S)S/C(=C\c2cccnc2)/C1=O

STK545609
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (4- fluorophenyl)methylidene]- 5- [(4- methylpiperidin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CC1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)F

STK545611
Synonyms: methyl2- (4- propoxyphenyl)quinoline- 4- carboxylate
Smiles: CCCOc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)OC

STK545614
Synonyms: 2- [(5Z)- 5- (2,4- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- phenylpropanoicacid
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)C(C(=O)O)Cc1ccccc1

STK545617
Synonyms: ethyl(2E,3E)- 3- (2- {[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- phenyl- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)- 2- (hydroxyimino)butanoate
Smiles: CCOC(=O)/C(=N/O)/C(=N/NC(=O)c1nnn(c1c1ccccc1)c1nonc1N)/C

STK545621
Synonyms: (5Z)- 3- (3- chlorophenyl)- 5- (4- ethoxy- 3- methoxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)Cl

STK545625
Synonyms: N- [3- (3- methylpiperidin- 1- yl)- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl]benzenesulfonamide
Smiles: CC1CCCN(C1)C1=C(NS(=O)(=O)c2ccccc2)C(=O)c2c(C1=O)cccc2

STK842456
Synonyms: 3- amino- N- (3- chloro- 2- methylphenyl)- 4- (furan- 2- yl)- 6,7- dihydro- 5H- cyclopenta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c(c1ccco1)c1c(n2)CCC1)Nc1cccc(c1C)Cl

STK545630
Synonyms: methyl5- cyano- 6- ({2- [(4- fluorophenyl)amino]- 2- oxoethyl}sulfanyl)- 2- oxo- 4- [4- (propan- 2- yl)phenyl]- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C(C)C)C#N)SCC(=O)Nc1ccc(cc1)F

STK545635
Synonyms: 3,3- diphenylcyclopropane- 1,2- dicarboxylicacid
Smiles: OC(=O)C1C(C1(c1ccccc1)c1ccccc1)C(=O)O

STK545636
Synonyms: methyl5- bromo- 1- (2- fluorophenyl)- 6- oxo- 1,6- dihydropyridine- 3- carboxylate
Smiles: COC(=O)c1cc(Br)c(=O)n(c1)c1ccccc1F

STK545638
Synonyms: methyl2- [(3,5- dichloropyridin- 2- yl)amino]- 3,3,3- trifluoro- N- (furan- 2- ylcarbonyl)alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1ccco1)Nc1ncc(cc1Cl)Cl

STK842461
Synonyms: 4- {[4- (4- ethoxyphenyl)phthalazin- 1- yl]amino}benzamide
Smiles: CCOc1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc(cc1)C(=O)N

STK842464
Synonyms: 2- (4- nitrophenyl)- 4- (pyrrolidin- 1- yl)quinazoline
Smiles: [O-][N+](=O)c1ccc(cc1)c1nc2ccccc2c(n1)N1CCCC1

STK545645
Synonyms: 5- (4- fluorophenyl)- 3- hydroxy- 1- (3- hydroxypropyl)- 4- [(4- methylphenyl)carbonyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: OCCCN1C(=O)C(=C(C1c1ccc(cc1)F)C(=O)c1ccc(cc1)C)O

STK545648
Synonyms: N'~1~,N'~4~- bis[(E)- 1H- indol- 3- ylmethylidene]butanedihydrazide
Smiles: O=C(CCC(=O)N/N=C/c1c[nH]c2c1cccc2)N/N=C/c1c[nH]c2c1cccc2

STK545651
Synonyms: 3- (1- methyl- 1H- indol- 3- yl)- 1- (naphthalen- 1- yl)pyrrolidine- 2,5- dione
Smiles: O=C1CC(C(=O)N1c1cccc2c1cccc2)c1cn(c2c1cccc2)C

STK545653
Synonyms: (5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 2- (phenylamino)- 1,3- thiazol- 4(5H)- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=NC1=O)Nc1ccccc1

STK545658
Synonyms: 2- (5- bromo- 2,4- dimethoxyphenyl)- 5,10- diiodo- 1H- phenanthro[9,10- d]imidazole
Smiles: COc1cc(OC)c(cc1c1nc2c([nH]1)c1cc(I)ccc1c1c2cc(I)cc1)Br

STK545666
Synonyms: 6- (4- methoxyphenyl)- 2- (4- phenylpiperazin- 1- yl)pyrimidine- 4- carbonitrile
Smiles: COc1ccc(cc1)c1cc(C#N)nc(n1)N1CCN(CC1)c1ccccc1

STK842471
Synonyms: 2- [(2- phenoxyethyl)sulfanyl]- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]pyridine- 3- carbonitrile
Smiles: N#Cc1cc2CCCCCc2nc1SCCOc1ccccc1

STK545669
Synonyms: 10H- phenothiazin- 10- yl[4- (pyridin- 2- yl)piperazin- 1- yl]methanone
Smiles: O=C(N1c2ccccc2Sc2c1cccc2)N1CCN(CC1)c1ccccn1

STK545670
Synonyms: 4- {[3- bromo- 5- (methoxycarbonyl)- 2- oxopyridin- 1(2H)- yl]methyl}benzoicacid
Smiles: COC(=O)c1cn(Cc2ccc(cc2)C(=O)O)c(=O)c(c1)Br

STK842475
Synonyms: methyl[2- (methylsulfanyl)- 1H- benzimidazol- 1- yl]acetate
Smiles: COC(=O)Cn1c(SC)nc2c1cccc2

STK545676
Synonyms: 4- [(2E)- 2- (4- hydroxy- 3- methoxybenzylidene)hydrazinyl]pyrimidin- 2(1H)- one
Smiles: COc1cc(/C=N/Nc2cc[nH]c(=O)n2)ccc1O

STK842476
Synonyms: 3- amino- N- (2,4- difluorophenyl)- 6- ethyl- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: CCC1CCc2c(C1)cc1c(n2)sc(c1N)C(=O)Nc1ccc(cc1F)F

STK545683
Synonyms: benzylN'- cyano- N- (4- fluorophenyl)carbamimidothioate
Smiles: N#C/N=C(/Nc1ccc(cc1)F)\SCc1ccccc1

STK842478
Synonyms: 3- amino- N- benzyl- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCC1)NCc1ccccc1

STK545687
Synonyms: 5- chloro- N- (5- chloro- 2- methoxyphenyl)- 3- methyl- 1- phenyl- 1H- pyrazole- 4- carboxamide
Smiles: COc1ccc(cc1NC(=O)c1c(C)nn(c1Cl)c1ccccc1)Cl

STK545690
Synonyms: (5Z)- 2- [(2,3- dichlorophenyl)amino]- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 1,3- thiazol- 4(5H)- one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=NC1=O)Nc1cccc(c1Cl)Cl

STK842481
Synonyms: N- {4- [3- (9H- carbazol- 9- yl)- 2- hydroxypropoxy]- 3- methylphenyl}acetamide
Smiles: OC(Cn1c2ccccc2c2c1cccc2)COc1ccc(cc1C)NC(=O)C

STK545704
Synonyms: 4- [(2E)- 2- (2- methoxybenzylidene)hydrazinyl]pyrimidin- 2(1H)- one
Smiles: COc1ccccc1/C=N/Nc1cc[nH]c(=O)n1

STK545705
Synonyms: (2E)- N- [(5- bromopyridin- 2- yl)carbamothioyl]- 3- (4- methoxyphenyl)prop- 2- enamide
Smiles: COc1ccc(cc1)/C=C/C(=O)NC(=S)Nc1ccc(cn1)Br

STK545712
Synonyms: 4- ethyl- 9,10- diphenyl- 2,6- bis(tetrahydrofuran- 2- ylmethyl)hexahydro- 4,8- ethenopyrrolo[3,4- f]isoindole- 1,3,5,7(2H,6H)- tetrone
Smiles: CCC12C3C(=O)N(C(=O)C3C(C3C1C(=O)N(C3=O)CC1CCCO1)C(=C2c1ccccc1)c1ccccc1)CC1CCCO1

STK545714
Synonyms: methylN- [{5- methyl- 2- [(phenylcarbonyl)amino]phenyl}(phenyl)methyl]glycinate
Smiles: COC(=O)CNC(c1cc(C)ccc1NC(=O)c1ccccc1)c1ccccc1

STK545716
Synonyms: N- [3- (4- methylpiperidin- 1- yl)- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl]benzenesulfonamide
Smiles: CC1CCN(CC1)C1=C(NS(=O)(=O)c2ccccc2)C(=O)c2c(C1=O)cccc2

STK842489
Synonyms: 6- chloro- 2- methoxy- 4- phenylquinazoline
Smiles: COc1nc2ccc(cc2c(n1)c1ccccc1)Cl

STK545721
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- [(4- methylpiperazin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1Cn1nc(c(c1C)Br)C)/C=N/NC(=O)c1nnn(c1CN1CCN(CC1)C)c1nonc1N

STK842492
Synonyms: (2Z)- 2- [2- (pyridin- 2- yl)cyclohexylidene]hydrazinecarbothioamide
Smiles: NC(=S)N/N=C\1/CCCCC1c1ccccn1

STK545726
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- bromo- 4- [(3- chlorobenzyl)oxy]- 5- methoxyphenyl}methylidene]- 5- (morpholin- 4- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CN2CCOCC2)c2nonc2N)cc(c1OCc1cccc(c1)Cl)Br

STK545729
Synonyms: 3- [(cyclohexylcarbonyl)amino]- 3- (4- ethoxy- 3- methoxyphenyl)propanoicacid
Smiles: CCOc1ccc(cc1OC)C(NC(=O)C1CCCCC1)CC(=O)O

STK545731
Synonyms: 3- [(4,6- dimethylpyrimidin- 2- yl)sulfanyl]- 2- {[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]methyl}propanoicacid
Smiles: OC(=O)C(CSc1nc(C)cc(n1)C)CSc1nc(C)cc(n1)C

STK545732
Synonyms: N- [(5- bromopyridin- 2- yl)carbamothioyl]pyridine- 3- carboxamide
Smiles: S=C(NC(=O)c1cccnc1)Nc1ccc(cn1)Br

STK545736
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- (1- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)C(c1ccccc1)C)C

STK545737
Synonyms: 4- {4- (4- bromophenyl)- 5- [(3,4- dichlorobenzyl)sulfanyl]- 4H- 1,2,4- triazol- 3- yl}pyridine
Smiles: Brc1ccc(cc1)n1c(SCc2ccc(c(c2)Cl)Cl)nnc1c1ccncc1

STK842496
Synonyms: 3- amino- N- phenyl- 4- (thiophen- 2- yl)- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCCC1)Nc1ccccc1

STK545741
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 4- (4- fluorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccc(cc2)Cl)NC(=O)CC1c1ccc(cc1)F

STK842499
Synonyms: ethyl6- bromo- 4- [(2- hydroxyethyl)amino]quinoline- 3- carboxylate
Smiles: OCCNc1c(cnc2c1cc(Br)cc2)C(=O)OCC

STK545746
Synonyms: 3- (5- {[4- (ethoxycarbonyl)phenyl]amino}- 2,4- dioxo- 1,3- thiazolidin- 3- yl)propanoicacid
Smiles: CCOC(=O)c1ccc(cc1)NC1SC(=O)N(C1=O)CCC(=O)O

STK545750
Synonyms: 2- methoxy- 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)c1ccccc1OC

STK842501
Synonyms: methyl4- (1,3- benzothiazol- 2- yl)butanoate
Smiles: COC(=O)CCCc1nc2c(s1)cccc2

STK545751
Synonyms: N'- [(1,3- dimethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]pentanehydrazide
Smiles: CCCCC(=O)NNC=C1C(=O)N(C)C(=O)N(C1=O)C

STK842505
Synonyms: 1- [4- (6- methyl- 4- phenylquinazolin- 2- yl)piperazin- 1- yl]ethanone
Smiles: Cc1ccc2c(c1)c(nc(n2)N1CCN(CC1)C(=O)C)c1ccccc1

STK545755
Synonyms: 3- amino- 4- (thiophen- 2- yl)- 6,7- dihydro- 5H- cyclopenta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: NC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCC1

STK842506
Synonyms: 3- (4- fluorophenyl)- 5- (3- nitrophenyl)- 1- phenyl- 4,5- dihydro- 1H- pyrazole
Smiles: Fc1ccc(cc1)C1=NN(C(C1)c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK842507
Synonyms: 3- chloro- 1- (2- phenylethyl)- 4- [(2- phenylethyl)amino]- 1H- pyrrole- 2,5- dione
Smiles: ClC1=C(NCCc2ccccc2)C(=O)N(C1=O)CCc1ccccc1

STK842509
Synonyms: methyl4- ({[5- (pyridin- 4- yl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}methyl)benzoate
Smiles: COC(=O)c1ccc(cc1)CSc1nnc(o1)c1ccncc1

STK545763
Synonyms: 2- {(5Z)- 4- oxo- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 3- yl}butanoicacid
Smiles: CCC(N1C(=S)S/C(=C\c2ccc(cc2)OCC=C)/C1=O)C(=O)O

STK545766
Synonyms: 4- bromo- 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)Br

STK545770
Synonyms: methylcyano{3- [4- (diphenylmethyl)piperazin- 1- yl]quinoxalin- 2- yl}acetate
Smiles: COC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)C(c1ccccc1)c1ccccc1)C#N

STK545772
Synonyms: N~4~- benzyl- N~2~- (3- chlorophenyl)quinazoline- 2,4- diamine
Smiles: Clc1cccc(c1)Nc1nc(NCc2ccccc2)c2c(n1)cccc2

STK545775
Synonyms: 2- cyano- N- cyclohexyl- 2- [3- (2- methylpropoxy)quinoxalin- 2- yl]acetamide
Smiles: N#CC(c1nc2ccccc2nc1OCC(C)C)C(=O)NC1CCCCC1

STK545776
Synonyms: N'- {[(2- chloro- 5- nitrophenyl)carbonyl]oxy}pyridine- 3- carboximidamide
Smiles: N/C(=N\OC(=O)c1cc(ccc1Cl)[N+](=O)[O-])/c1cccnc1

STK545778
Synonyms: 3- ethyl- 6- hydroxy- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)- 2- thioxo- 2,3- dihydropyrimidin- 4(1H)- one
Smiles: CCn1c(=S)[nH]c(c(c1=O)C1NCCc2c1cccc2)O

STK545782
Synonyms: 5- cyano- N- (2- methoxyphenyl)- 6- ({2- [(3- methoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 4- (5- methylfuran- 2- yl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: COc1cccc(c1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1OC)c1ccc(o1)C

STK545784
Synonyms: N- {(E)- [4- (decyloxy)phenyl]methylidene}- 4- (3,6- dihydro- 2H- pyran- 4- ylmethoxy)aniline
Smiles: CCCCCCCCCCOc1ccc(cc1)/C=N/c1ccc(cc1)OCC1=CCOCC1

STK545790
Synonyms: (8S,8aR,11aS)- 10- (1,3- benzodioxol- 5- yl)- 8- [(4- chlorophenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3

STK842519
Synonyms: 4- (4- chlorophenyl)- 2- [2- oxo- 2- (piperidin- 1- yl)ethyl]phthalazin- 1(2H)- one
Smiles: Clc1ccc(cc1)c1nn(CC(=O)N2CCCCC2)c(=O)c2c1cccc2

STK842520
Synonyms: 3- amino- N- (3- methoxyphenyl)- 4- (thiophen- 2- yl)- 6,7- dihydro- 5H- cyclopenta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: COc1cccc(c1)NC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCC1

STK545795
Synonyms: (5Z)- 3- (3,5- dichlorophenyl)- 5- (2,4- dimethoxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)c1cc(Cl)cc(c1)Cl

STK842528
Synonyms: 3- amino- 4- (4- methylphenyl)- 6,7- dihydro- 5H- cyclopenta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: Cc1ccc(cc1)c1c2CCCc2nc2c1c(N)c(s2)C(=O)N

STK842529
Synonyms: 4- butyl- 4- (2- methoxybenzyl)- 1,2- diphenylpyrazolidine- 3,5- dione
Smiles: CCCCC1(Cc2ccccc2OC)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1

STK545810
Synonyms: 11- (3,5- dimethylphenyl)- 3- (1- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Cc1cc(C)cc(c1)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)C(c1ccccc1)C

STK842532
Synonyms: 3- amino- 4- (furan- 2- yl)- N- (2- methylphenyl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Cc1ccccc1NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCC1

STK545814
Synonyms: 2- [(2- butyl- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl)sulfanyl]- N- (4- methoxyphenyl)acetamide
Smiles: CCCCc1nc(SCC(=O)Nc2ccc(cc2)OC)c2c(n1)sc1c2CC(OC1)(C)C

STK545816
Synonyms: N~4~- benzyl- N~2~- (naphthalen- 1- yl)quinazoline- 2,4- diamine
Smiles: c1ccc(cc1)CNc1nc(nc2c1cccc2)Nc1cccc2c1cccc2

STK545825
Synonyms: 3- hydroxy- 1- (3- hydroxypropyl)- 5- (4- methoxyphenyl)- 4- [(4- methylphenyl)carbonyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: OCCCN1C(c2ccc(cc2)OC)C(=C(C1=O)O)C(=O)c1ccc(cc1)C

STK545826
Synonyms: 4- (5- methoxy- 1H- indol- 3- yl)- N- methyl- 1,3- thiazol- 2- amine
Smiles: CNc1scc(n1)c1c[nH]c2c1cc(OC)cc2

STK842539
Synonyms: ethyl5- hydroxy- 1- (2- methoxyethyl)- 2- methyl- 1H- indole- 3- carboxylate
Smiles: COCCn1c(C)c(c2c1ccc(c2)O)C(=O)OCC

STK842540
Synonyms: 5- (furan- 2- yl)- 1- (methylsulfonyl)- 3- phenyl- 4,5- dihydro- 1H- pyrazole
Smiles: CS(=O)(=O)N1N=C(CC1c1ccco1)c1ccccc1

STK842542
Synonyms: (6- bromo- 2- methoxynaphthalen- 1- yl)methanol
Smiles: OCc1c(OC)ccc2c1ccc(c2)Br

STK545832
Synonyms: methyl[3- (4- benzylpiperazin- 1- yl)quinoxalin- 2- yl](cyano)acetate
Smiles: COC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)Cc1ccccc1)C#N

STK545841
Synonyms: N'- [(1E)- 1- (4- methoxyphenyl)ethylidene]- 2- (5- methyl- 3- nitro- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: COc1ccc(cc1)/C(=N/NC(=O)Cn1nc(cc1C)[N+](=O)[O-])/C

STK842544
Synonyms: (2E)- 2- cyano- 3- {1- [2- (4- fluorophenoxy)ethyl]- 1H- indol- 3- yl}- N- (furan- 2- ylmethyl)prop- 2- enamide
Smiles: N#C/C(=C\c1cn(c2c1cccc2)CCOc1ccc(cc1)F)/C(=O)NCc1ccco1

STK545844
Synonyms: N- {2- [(4- bromophenyl)carbonyl]- 1- benzofuran- 3- yl}- 2- chloroacetamide
Smiles: ClCC(=O)Nc1c(oc2c1cccc2)C(=O)c1ccc(cc1)Br

STK545848
Synonyms: N- (4- acetylphenyl)- 2- (thiophen- 2- yl)quinoline- 4- carboxamide
Smiles: O=C(c1cc(nc2c1cccc2)c1cccs1)Nc1ccc(cc1)C(=O)C

STK545850
Synonyms: (5Z)- 3- (2- ethoxyphenyl)- 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)c1ccccc1OCC

STK842547
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 5- (4- methoxyphenyl)thieno[2,3- d]pyrimidin- 4- amine
Smiles: COc1ccc(cc1)c1csc2c1c(NCCc1ccc(c(c1)OC)OC)ncn2

STK545857
Synonyms: methyl2- amino- 1- (2- chlorobenzyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COC(=O)c1c2nc3ccccc3nc2n(c1N)Cc1ccccc1Cl

STK545871
Synonyms: 1- (9H- carbazol- 9- yl)- 3- [4- (4- ethoxybenzyl)piperazin- 1- yl]propan- 2- ol
Smiles: CCOc1ccc(cc1)CN1CCN(CC1)CC(Cn1c2ccccc2c2c1cccc2)O

STK545872
Synonyms: ethylN- [2- (pyridin- 4- yl)quinazolin- 4- yl]glycinate
Smiles: CCOC(=O)CNc1nc(nc2c1cccc2)c1ccncc1

STK842554
Synonyms: (4- amino- 2- {[3- (trifluoromethyl)phenyl]amino}- 1,3- thiazol- 5- yl)(3,4- dimethoxyphenyl)methanone
Smiles: COc1cc(ccc1OC)C(=O)c1sc(nc1N)Nc1cccc(c1)C(F)(F)F

STK545874
Synonyms: 2- {4- [(3S)- 2,2- dicyano- 3- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)cyclopropyl]phenoxy}acetamide
Smiles: N#CC1(C#N)[C@H](C1c1ccc(cc1)OCC(=O)N)C(=O)C12CC3CC(C2)CC(C1)C3

STK545876
Synonyms: 2- [2- (3,4- dimethoxyphenyl)ethyl]- 4,7- diphenyl- 3a,4,7,7a- tetrahydro- 1H- isoindole- 1,3(2H)- dione
Smiles: COc1cc(CCN2C(=O)C3C(C2=O)C(C=CC3c2ccccc2)c2ccccc2)ccc1OC

STK545877
Synonyms: 2- [(5Z)- 5- (4- ethoxybenzylidene)- 2,4- dioxo- 1,3- thiazolidin- 3- yl]propanoicacid
Smiles: CCOc1ccc(cc1)/C=C/1\SC(=O)N(C1=O)C(C(=O)O)C

STK545879
Synonyms: 2- methylpropyl[(6- phenylthieno[2,3- d]pyrimidin- 4- yl)sulfanyl]acetate
Smiles: CC(COC(=O)CSc1ncnc2c1cc(s2)c1ccccc1)C

STK842558
Synonyms: ethyl4- cyano- 5- ({[(3- cyano- 6,7- dihydro- 5H- cyclopenta[b]pyridin- 2- yl)sulfanyl]acetyl}amino)- 3- methylthiophene- 2- carboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nc2CCCc2cc1C#N

STK842559
Synonyms: 3- hydroxy- 1- methyl- 5- (3- nitrophenyl)- 4- (phenylcarbonyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CN1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccccc1

STK842560
Synonyms: N- {[2- (furan- 2- ylcarbonyl)hydrazinyl]carbonothioyl}furan- 2- carboxamide
Smiles: S=C(NC(=O)c1ccco1)NNC(=O)c1ccco1

STK545893
Synonyms: 2,7- bis[2- (benzyloxy)ethyl]benzo[lmn][3,8]phenanthroline- 1,3,6,8(2H,7H)- tetrone
Smiles: O=c1c2ccc3c4c2c(c(=O)n1CCOCc1ccccc1)ccc4c(=O)n(c3=O)CCOCc1ccccc1

STK545902
Synonyms: 2- [3- (4- tert- butylphenoxy)propyl]- 7,8- dimethoxyphthalazin- 1(2H)- one
Smiles: COc1c(OC)ccc2c1c(=O)n(nc2)CCCOc1ccc(cc1)C(C)(C)C

STK545904
Synonyms: N'- acetyl- 3,4- dimethyl- 2- thioxo- 2,3- dihydro- 1,3- thiazole- 5- carbohydrazide
Smiles: CC(=O)NNC(=O)c1sc(=S)n(c1C)C

STK842566
Synonyms: 3- amino- N- (4- methylphenyl)- 4- (thiophen- 2- yl)- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCCC1

STK545905
Synonyms: 3- (4- tert- butylphenyl)- 10- [(2- chlorophenyl)carbonyl]- 11- (4- fluorophenyl)- 2,3,4,5,10,11- hexahydro- 1H- dibenzo[b,e][1,4]diazepin- 1- one
Smiles: Fc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2c(N1C(=O)c1ccccc1Cl)cccc2

STK545906
Synonyms: (2E)- (hydroxyimino)(4- methyl- 1,3- thiazol- 2- yl)ethanenitrile
Smiles: Cc1csc(n1)/C(=N/O)/C#N

STK545909
Synonyms: 4- {[3- chloro- 4- (4- chlorophenoxy)phenyl]amino}- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)Nc1ccc(c(c1)Cl)Oc1ccc(cc1)Cl

STK545911
Synonyms: ethyl2- (4- fluorophenyl)- 4- hydroxy- 5- oxo- 1- (4- sulfamoylphenyl)- 2,5- dihydro- 1H- pyrrole- 3- carboxylate
Smiles: CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)F)c1ccc(cc1)S(=O)(=O)N

STK545912
Synonyms: 6- {(5Z)- 4- oxo- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 3- yl}hexanoicacid
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCCCC(=O)O

STK842571
Synonyms: (5- bromo- 1- benzofuran- 2- yl)(thiophen- 2- yl)methanone
Smiles: Brc1ccc2c(c1)cc(o2)C(=O)c1cccs1

STK842573
Synonyms: 1,2,5- triamino- 1H- pyrrole- 3,4- dicarbonitrile
Smiles: N#Cc1c(N)n(c(c1C#N)N)N

STK842575
Synonyms: ethyl6- bromo- 4- {[2- (2- hydroxyethoxy)ethyl]amino}quinoline- 3- carboxylate
Smiles: OCCOCCNc1c(cnc2c1cc(Br)cc2)C(=O)OCC

STK842576
Synonyms: 2- {[3- cyano- 6- oxo- 4- (3,4,5- trimethoxyphenyl)- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (4- fluorophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=O)CC1c1cc(OC)c(c(c1)OC)OC

STK545918
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- bromo- 5- methoxy- 4- [(2- methylbenzyl)oxy]phenyl}methylidene]- 5- methyl- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2C)c2nonc2N)cc(c1OCc1ccccc1C)Br

STK842578
Synonyms: N- benzyl- 2- {[3- cyano- 6- oxo- 4- (3,4,5- trimethoxyphenyl)- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)CC1c1cc(OC)c(c(c1)OC)OC

STK545925
Synonyms: 4- fluoro- N- [(5Z)- 5- (1H- indol- 3- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: Fc1ccc(cc1)C(=O)NN1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O

STK545927
Synonyms: N,N'- bis(1,3- benzodioxol- 5- ylmethyl)propane- 1,2- diamine
Smiles: CC(NCc1ccc2c(c1)OCO2)CNCc1ccc2c(c1)OCO2

STK545929
Synonyms: 4- fluoro- N- {(5Z)- 5- [4- (octyloxy)benzylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}benzamide
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)F

STK545932
Synonyms: 1- [4- (2- hydroxyethyl)piperazin- 1- yl]- 3- (propan- 2- yl)pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: OCCN1CCN(CC1)c1cc(C(C)C)c(c2n1c1ccccc1n2)C#N

STK545933
Synonyms: 4- [(2E)- 2- benzylidenehydrazinyl]pyrimidin- 2(1H)- one
Smiles: O=c1[nH]ccc(n1)N/N=C/c1ccccc1

STK842587
Synonyms: methyl3- amino- 4- (4- chlorophenyl)- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]thieno[3,2- e]pyridine- 2- carboxylate
Smiles: COC(=O)c1sc2c(c1N)c(c1ccc(cc1)Cl)c1c(n2)CCCCC1

STK842588
Synonyms: N- (4- chlorophenyl)- 2- [4- (4- chlorophenyl)- 1- oxophthalazin- 2(1H)- yl]acetamide
Smiles: Clc1ccc(cc1)NC(=O)Cn1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2

STK545947
Synonyms: 3- amino- N- (3- chlorophenyl)- 6- (thiophen- 2- yl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: Clc1cccc(c1)NC(=O)c1sc2c(c1N)ccc(n2)c1cccs1

STK545948
Synonyms: 3- [(6- methoxy- 2- methylquinolin- 4- yl)amino]phenol
Smiles: COc1ccc2c(c1)c(Nc1cccc(c1)O)cc(n2)C

STK545954
Synonyms: 4- (4- benzylpiperazin- 1- yl)- 2- (pyridin- 4- yl)quinazoline
Smiles: c1ccc(cc1)CN1CCN(CC1)c1nc(nc2c1cccc2)c1ccncc1

STK545955
Synonyms: N- [1- (1H- benzimidazol- 2- yl)butyl]- 4- chlorobenzamide
Smiles: CCCC(c1nc2c([nH]1)cccc2)NC(=O)c1ccc(cc1)Cl

STK842591
Synonyms: ethyl6- amino- 5- cyano- 2- (4- methoxyphenyl)- 4- (pyridin- 3- yl)- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(OC(=C(C1c1cccnc1)C#N)N)c1ccc(cc1)OC

STK545967
Synonyms: (5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 3- (3- fluorophenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)F

STK545968
Synonyms: 2- [(3- butyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (diphenylmethyl)acetamide
Smiles: CCCCn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK842594
Synonyms: N- {4- [(5- phenylthieno[2,3- d]pyrimidin- 4- yl)amino]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)Nc1ncnc2c1c(cs2)c1ccccc1

STK842596
Synonyms: N'- [(Z)- (3- bromo- 5- ethoxy- 4- hydroxyphenyl)methylidene]- 3- (3,5- dioxo- 2,3,4,5- tetrahydro- 1,2,4- triazin- 6- yl)propanehydrazide
Smiles: CCOc1cc(/C=N\NC(=O)CCc2n[nH]c(=O)[nH]c2=O)cc(c1O)Br

STK545994
Synonyms: (5Z)- 5- (1H- indol- 3- ylmethylidene)- 2- [(2- methylphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1c[nH]c2c1cccc2)Nc1ccccc1C

STK545996
Synonyms: N- [(5Z)- 5- (1H- indol- 3- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- nitrobenzamide
Smiles: S=C1S/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK545997
Synonyms: 6- amino- 4- (2- chloroquinolin- 3- yl)- 3- {[(4- methylphenyl)sulfanyl]methyl}- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cc3ccccc3nc1Cl)c(CSc1ccc(cc1)C)[nH]n2

STK546002
Synonyms: 4- [4- (4- ethoxybenzyl)piperazin- 1- yl]- 5- phenylthieno[2,3- d]pyrimidine
Smiles: CCOc1ccc(cc1)CN1CCN(CC1)c1ncnc2c1c(cs2)c1ccccc1

STK546007
Synonyms: 4- phenyl- 2- (piperazin- 1- yl)quinazoline
Smiles: N1CCN(CC1)c1nc2ccccc2c(n1)c1ccccc1

STK546009
Synonyms: 4- acetyl- 3- hydroxy- 1- methyl- 5- (2- nitrophenyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CC(=O)C1=C(O)C(=O)N(C1c1ccccc1[N+](=O)[O-])C

STK546011
Synonyms: 3- hydroxy- 5- oxo- 3,7- diphenyl- 2,3,6,7- tetrahydro- 5H- [1,3]thiazolo[3,2- a]pyridine- 8- carbonitrile
Smiles: N#CC1=C2SCC(N2C(=O)CC1c1ccccc1)(O)c1ccccc1

STK546013
Synonyms: (5Z)- 3- (4- hydroxyphenyl)- 5- [4- (octyloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)O

STK546018
Synonyms: ethyl2- {[(6- bromo- 2- methyl- 4- oxoquinolin- 1(4H)- yl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccccc1NC(=O)Cn1c(C)cc(=O)c2c1ccc(c2)Br

STK546022
Synonyms: 5- {2- [(4- hydroxyphenyl)carbonyl]hydrazinyl}- 5- oxopentanoicacid
Smiles: O=C(NNC(=O)c1ccc(cc1)O)CCCC(=O)O

STK546024
Synonyms: (9Z)- 9- (hydroxyimino)- 2,7- dinitro- 9H- fluorene- 4- carboxylicacid
Smiles: O/N=C/1\c2cc(cc(c2c2c1cc(cc2)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

STK546025
Synonyms: 3- amino- 4- (4- chlorophenyl)- N,N- diethyl- 6- (thiophen- 2- yl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: CCN(C(=O)c1sc2c(c1N)c(cc(n2)c1cccs1)c1ccc(cc1)Cl)CC

STK842607
Synonyms: 2,8- dimethyl- 1- [2- (morpholin- 4- yl)- 2- oxoethyl]quinolin- 4(1H)- one
Smiles: O=C(N1CCOCC1)Cn1c(C)cc(=O)c2c1c(C)ccc2

STK546034
Synonyms: 3- [2- (3- methoxyphenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1cccc(c1)OC

STK546036
Synonyms: 7- nitro- 5H- [1,2,4]triazolo[3,4- b][1,3]benzothiazin- 5- one
Smiles: [O-][N+](=O)c1ccc2c(c1)c(=O)n1c(s2)nnc1

STK546048
Synonyms: (5Z)- 5- (2,4- dimethoxybenzylidene)- 3- (4- hydroxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)O

STK546050
Synonyms: 2- [(4- amino- 7- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N,N- diethylacetamide
Smiles: CCN(C(=O)CSc1nc(N)c2c(n1)sc1c2CCC(C1)C)CC

STK546053
Synonyms: ethyl4- [2- (2- methoxyphenoxy)ethyl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)CCOc1ccccc1OC

STK842613
Synonyms: methyl2- [3- (5,6- dimethyl- 1H- benzimidazol- 1- yl)- 2- hydroxypropoxy]benzoate
Smiles: COC(=O)c1ccccc1OCC(Cn1cnc2c1cc(C)c(c2)C)O

STK546059
Synonyms: prop- 2- en- 1- yl[3- (4- benzylpiperidin- 1- yl)quinoxalin- 2- yl](cyano)acetate
Smiles: C=CCOC(=O)C(c1nc2ccccc2nc1N1CCC(CC1)Cc1ccccc1)C#N

STK842615
Synonyms: 2- {[3- cyano- 4- (3- ethoxy- 4- hydroxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (3- fluorophenyl)acetamide
Smiles: CCOc1cc(ccc1O)C1CC(=O)NC(=C1C#N)SCC(=O)Nc1cccc(c1)F

STK546070
Synonyms: methyl5- chloro- 3- {[3- (morpholin- 4- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCOCC1)cc(cc2)Cl

STK546077
Synonyms: N- [(5Z)- 5- (4- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)NN1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O

STK546080
Synonyms: 3- {5- [(2- methylphenyl)amino]- 2,4- dioxo- 1,3- thiazolidin- 3- yl}propanoicacid
Smiles: OC(=O)CCN1C(=O)SC(C1=O)Nc1ccccc1C

STK546081
Synonyms: 3- chloro- 4- [(4- chlorophenyl)amino]- 1- (naphthalen- 1- yl)- 1H- pyrrole- 2,5- dione
Smiles: Clc1ccc(cc1)NC1=C(Cl)C(=O)N(C1=O)c1cccc2c1cccc2

STK546087
Synonyms: 3- {[butyl(methyl)amino]methyl}- 2,7,8- trimethylquinolin- 4- ol
Smiles: CCCCN(Cc1c(C)nc2c(c1O)ccc(c2C)C)C

STK842623
Synonyms: 2- {[3- cyano- 4- (2- fluorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- (2,3,4- trifluorophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2F)F)F)NC(=O)CC1c1ccccc1F

STK546090
Synonyms: [(4- chlorophenyl)sulfonyl][3- (4- methylpiperazin- 1- yl)quinoxalin- 2- yl]acetonitrile
Smiles: N#CC(S(=O)(=O)c1ccc(cc1)Cl)c1nc2ccccc2nc1N1CCN(CC1)C

STK842624
Synonyms: 3- hydroxy- 4- phenyl- 1- (propan- 2- yl)- 4,8- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepin- 7(6H)- one
Smiles: O=C1CSC(c2c(N1)n(nc2O)C(C)C)c1ccccc1

STK546092
Synonyms: 3- (ethylsulfanyl)- 5- phenyl- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCSc1nnc2n1c(nc1c2c2CCCc2s1)c1ccccc1

STK546094
Synonyms: 7,8- dimethoxy- 2- {2- [5- methyl- 2- (propan- 2- yl)phenoxy]ethyl}phthalazin- 1(2H)- one
Smiles: COc1c(OC)ccc2c1c(=O)n(nc2)CCOc1cc(C)ccc1C(C)C

STK546095
Synonyms: 2- phenyl- 6- [4- (propan- 2- yl)phenyl]pyridazine- 3(2H)- thione
Smiles: CC(c1ccc(cc1)c1ccc(=S)n(n1)c1ccccc1)C

STK546098
Synonyms: (5Z)- 3- (3- chlorophenyl)- 5- [4- (octyloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)Cl

STK546101
Synonyms: prop- 2- en- 1- ylcyano{3- [4- (diphenylmethyl)piperazin- 1- yl]quinoxalin- 2- yl}acetate
Smiles: C=CCOC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)C(c1ccccc1)c1ccccc1)C#N

STK842627
Synonyms: N,N- diethyl- 4- {[(1- oxo- 4- phenylphthalazin- 2(1H)- yl)acetyl]amino}benzamide
Smiles: CCN(C(=O)c1ccc(cc1)NC(=O)Cn1nc(c2ccccc2)c2c(c1=O)cccc2)CC

STK546109
Synonyms: (5Z)- 3- benzyl- 5- [4- (octyloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)Cc1ccccc1

STK842629
Synonyms: (2E)- N- ({4- [(5- ethyl- 1,3,4- thiadiazol- 2- yl)sulfamoyl]phenyl}carbamothioyl)- 3- (furan- 2- yl)prop- 2- enamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccco1

STK842630
Synonyms: 1- (2- methoxybenzyl)- 2- methyl- 1H- benzimidazole
Smiles: COc1ccccc1Cn1c(C)nc2c1cccc2

STK842632
Synonyms: (5Z)- 3- (phenylamino)- 5- (pyridin- 4- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2ccncc2)/C(=O)N1Nc1ccccc1

STK842633
Synonyms: ethyl4- [3- acetyl- 2- (2- fluorophenyl)- 4- hydroxy- 5- oxo- 2,5- dihydro- 1H- pyrrol- 1- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)C(=C(C1c1ccccc1F)C(=O)C)O

STK546123
Synonyms: {(5Z)- 4- oxo- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 3- yl}(phenyl)aceticacid
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)C(=O)O

STK546124
Synonyms: prop- 2- en- 1- yl[3- (4- benzylpiperazin- 1- yl)quinoxalin- 2- yl](cyano)acetate
Smiles: C=CCOC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)Cc1ccccc1)C#N

STK546125
Synonyms: 2- [(5- phenyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1

STK546147
Synonyms: 6- chloro- N- [(E)- (dimethylamino)methylidene]- 2,3,4,9- tetrahydro- 1H- carbazole- 1- carboxamide
Smiles: CN(/C=N/C(=O)C1CCCc2c1[nH]c1c2cc(cc1)Cl)C

STK842638
Synonyms: 2- {[3- cyano- 4- (2- fluorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N,N- diphenylacetamide
Smiles: N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)NC(=O)CC1c1ccccc1F

STK546156
Synonyms: 2- [(E)- 2- (4- methylphenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Cc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)[nH]1

STK546158
Synonyms: prop- 2- en- 1- yl4- [4- (benzyloxy)- 3- methoxyphenyl]- 5- cyano- 2- methyl- 6- ({2- [(3- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)Nc1cccc(c1)C

STK546159
Synonyms: 2- [(6,6- dimethyl- 2- phenyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl)sulfanyl]- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc(nc2c1c1CC(C)(C)OCc1s2)c1ccccc1

STK546162
Synonyms: methyl5- bromo- 1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 6- oxo- 1,6- dihydropyridine- 3- carboxylate
Smiles: COC(=O)c1cn(CCC2=CCCCC2)c(=O)c(c1)Br

STK842644
Synonyms: 3- ethyl6- methyl4- [(3- acetylphenyl)amino]quinoline- 3,6- dicarboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1cccc(c1)C(=O)C)cc(cc2)C(=O)OC

STK842645
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (3,4- dimethoxyphenyl)methylidene]- 5- phenyl- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2c2ccccc2)c2nonc2N)ccc1OC

STK546172
Synonyms: 2- {2,7- bis[(2- hydroxyethyl)(methyl)sulfamoyl]- 9H- fluoren- 9- ylidene}hydrazinecarboxamide
Smiles: OCCN(S(=O)(=O)c1ccc2c(c1)/C(=N/NC(=O)N)/c1c2ccc(c1)S(=O)(=O)N(CCO)C)C

STK546174
Synonyms: 2- (1,3- benzothiazol- 2- ylamino)- 4- (4- methoxyphenyl)pyrimidine- 5- carbonitrile
Smiles: COc1ccc(cc1)c1nc(ncc1C#N)Nc1nc2c(s1)cccc2

STK842646
Synonyms: ethyl6- bromo- 4- [(3- nitrophenyl)amino]quinoline- 3- carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1cccc(c1)[N+](=O)[O-])cc(cc2)Br

STK546176
Synonyms: 7,8- dimethoxy- 2- {4- [2- methyl- 5- (propan- 2- yl)phenoxy]butyl}phthalazin- 1(2H)- one
Smiles: COc1ccc2c(c1OC)c(=O)n(nc2)CCCCOc1cc(ccc1C)C(C)C

STK842649
Synonyms: 2- (2- fluorophenyl)- 4- (morpholin- 4- yl)quinazoline
Smiles: Fc1ccccc1c1nc(N2CCOCC2)c2c(n1)cccc2

STK546191
Synonyms: N'- [(E)- (3- methoxyphenyl)methylidene]- 2- (5- methyl- 3- nitro- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: COc1cccc(c1)/C=N/NC(=O)Cn1nc(cc1C)[N+](=O)[O-]

STK546194
Synonyms: 2- (4- methyl- 1,3- thiazol- 2- yl)acetamide
Smiles: Cc1csc(n1)CC(=O)N

STK546196
Synonyms: 2- [(5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- (methylsulfanyl)butanoicacid
Smiles: CSCCC(N1C(=S)S/C(=C\c2ccc(c(c2)OC)OCC)/C1=O)C(=O)O

STK546202
Synonyms: prop- 2- en- 1- ylcyano[3- (pyrrolidin- 1- yl)quinoxalin- 2- yl]acetate
Smiles: C=CCOC(=O)C(c1nc2ccccc2nc1N1CCCC1)C#N

STK842654
Synonyms: N,N- diethyl- 4- ({[4- (4- methylphenyl)- 1- oxophthalazin- 2(1H)- yl]acetyl}amino)benzamide
Smiles: CCN(C(=O)c1ccc(cc1)NC(=O)Cn1nc(c2ccc(cc2)C)c2c(c1=O)cccc2)CC

STK546215
Synonyms: 5- hydroxy- 7- oxo- 3- phenyl- 6- azabicyclo[3.2.1]octane- 1,2,2- tricarbonitrile
Smiles: N#CC1(C#N)C(CC2(CC1(C#N)C(=O)N2)O)c1ccccc1

STK546222
Synonyms: 4- amino- N'- [(1E,2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 1,2,5- oxadiazole- 3- carbohydrazonamide
Smiles: C/C(=C\c1ccccc1)/C=N/N=C(/c1nonc1N)\N

STK546225
Synonyms: 6- (2- {[(E)- (3- bromo- 4- hydroxy- 5- methoxyphenyl)methylidene]amino}phenoxy)- 1,3- dimethylpyrimidine- 2,4(1H,3H)- dione
Smiles: COc1cc(/C=N/c2ccccc2Oc2cc(=O)n(c(=O)n2C)C)cc(c1O)Br

STK546233
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- cyclohexylmethylidene]- 5- methyl- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1C)c1nonc1N)N/N=C/C1CCCCC1

STK546234
Synonyms: 4- [3- acetyl- 2- (4- chlorophenyl)- 4- hydroxy- 5- oxo- 2,5- dihydro- 1H- pyrrol- 1- yl]butanoicacid
Smiles: OC(=O)CCCN1C(c2ccc(cc2)Cl)C(=C(C1=O)O)C(=O)C

STK842662
Synonyms: 6- amino- 3- (methoxymethyl)- 4- {3- methoxy- 4- [2- (morpholin- 4- yl)ethoxy]phenyl}- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: COCc1[nH]nc2c1C(c1ccc(c(c1)OC)OCCN1CCOCC1)C(=C(O2)N)C#N

STK546237
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (3- {[4- (4- fluorophenyl)piperazin- 1- yl]methyl}- 4- methoxyphenyl)methylidene]- 5- [(4- methylpiperidin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1CN1CCN(CC1)c1ccc(cc1)F)/C=N/NC(=O)c1nnn(c1CN1CCC(CC1)C)c1nonc1N

STK842665
Synonyms: ethyl[6- amino- 5- cyano- 4- (propan- 2- yl)- 2,4- dihydropyrano[2,3- c]pyrazol- 3- yl]acetate
Smiles: CCOC(=O)Cc1[nH]nc2c1C(C(C)C)C(=C(O2)N)C#N

STK842668
Synonyms: N- [(E)- (3- methylthiophen- 2- yl)methylidene]- 4- (naphthalen- 1- ylmethyl)piperazin- 1- amine
Smiles: Cc1ccsc1/C=N/N1CCN(CC1)Cc1cccc2c1cccc2

STK546241
Synonyms: 6- (2- {[(E)- (2- hydroxyphenyl)methylidene]amino}phenoxy)- 1,3- dimethylpyrimidine- 2,4(1H,3H)- dione
Smiles: Oc1ccccc1/C=N/c1ccccc1Oc1cc(=O)n(c(=O)n1C)C

STK546242
Synonyms: ethyl2- ({[(3- cyano- 5,6,7,8- tetrahydroquinolin- 2- yl)sulfanyl]acetyl}amino)- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nc3CCCCc3cc2C#N)sc2c1CCC2

STK546244
Synonyms: 3- hydroxy- 5- (3- nitrophenyl)- 1- phenyl- 4- [(2E)- 3- phenylprop- 2- enoyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: O=C(C1=C(O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1ccccc1)/C=C/c1ccccc1

STK842672
Synonyms: N- {(1E)- 1- (4- fluorophenyl)- 3- oxo- 3- [(pyridin- 4- ylmethyl)amino]prop- 1- en- 2- yl}- 4- methylbenzamide
Smiles: Fc1ccc(cc1)/C=C(\C(=O)NCc1ccncc1)/NC(=O)c1ccc(cc1)C

STK842673
Synonyms: N- (3- chlorophenyl)- 2- {[3- cyano- 4- (3- ethoxy- 4- hydroxyphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}acetamide
Smiles: CCOc1cc(ccc1O)C1CC(=O)NC(=C1C#N)SCC(=O)Nc1cccc(c1)Cl

STK546247
Synonyms: prop- 2- en- 1- yl4- [4- (benzyloxy)- 3- methoxyphenyl]- 5- cyano- 6- ({2- [(3,4- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)Nc1ccc(c(c1)C)C