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

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STK545187
Synonyms: 5- (4- chlorophenyl)- 3- (4- methoxyphenyl)- 2,3a- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(cc1)C1N(OC2C1(c1ccccc1)C(=O)N(C2=O)c1ccc(cc1)Cl)c1ccccc1

STK545189
Synonyms: ethyl2- [({[3- cyano- 6- methyl- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}acetyl)amino]- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(c2C#N)c2cccs2)sc2c1CCCC2

STK545193
Synonyms: 11- (4- tert- butylphenyl)- N- (3- chloro- 4- methoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccc(cc1Cl)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)(C)C)c(nn1c1ccccc1)C

STK545195
Synonyms: methyl3,3,3- trifluoro- N- (furan- 2- ylcarbonyl)- 2- [(3- methylpyridin- 2- yl)amino]alaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1ncccc1C)NC(=O)c1ccco1

STK545196
Synonyms: 6,6- dimethyl- 4- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 2- phenyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CC(=C)CSc1nc(nc2c1c1CC(C)(C)OCc1s2)c1ccccc1

STK545198
Synonyms: 2- methoxyethylcyano[3- (dibutylamino)quinoxalin- 2- yl]acetate
Smiles: CCCCN(c1nc2ccccc2nc1C(C(=O)OCCOC)C#N)CCCC

STK545200
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (piperidin- 1- ylmethyl)- N'- [(E)- (4- propoxyphenyl)methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCCOc1ccc(cc1)/C=N/NC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N

STK545201
Synonyms: 11- (3- bromophenyl)- N- (4- chloro- 3- nitrophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Brc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)[N+](=O)[O-])Cl)c1ccccc1

STK545202
Synonyms: ethyl2- (4- fluorophenyl)- 4- hydroxy- 1- (4- nitrophenyl)- 5- oxo- 2,5- dihydro- 1H- pyrrole- 3- carboxylate
Smiles: CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)F)c1ccc(cc1)[N+](=O)[O-]

STK545204
Synonyms: 4,5- dibromo- 2- [(pyridin- 3- ylmethyl)carbamoyl]cyclohexanecarboxylicacid
Smiles: O=C(C1CC(Br)C(CC1C(=O)O)Br)NCc1cccnc1

STK545205
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(diethylamino)methyl]- N'- [(E)- thiophen- 2- ylmethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccs1)CC

STK545206
Synonyms: N,N- diethyl- 7- phenyl- 7H- chromeno[2',3':4,5]pyrimido[1,6- a]benzimidazol- 3- amine
Smiles: CCN(c1ccc2c(c1)OC1=NC(n3c(C1=C2)nc1c3cccc1)c1ccccc1)CC

STK545207
Synonyms: 3- [6- (4- bromophenoxy)hexyl]- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1ccc(cc1)Br

STK545208
Synonyms: 3- (biphenyl- 4- yloxy)- 8- [(2- ethylpiperidin- 1- yl)methyl]- 7- hydroxy- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: CCC1CCCCN1Cc1c(O)ccc2c1oc(c(c2=O)Oc1ccc(cc1)c1ccccc1)C(F)(F)F

STK545209
Synonyms: 3- (1- benzyl- 1H- indol- 3- yl)- 1- (naphthalen- 1- yl)pyrrolidine- 2,5- dione
Smiles: O=C1CC(C(=O)N1c1cccc2c1cccc2)c1cn(c2c1cccc2)Cc1ccccc1

STK545211
Synonyms: 3- (4- bromophenyl)- 1- [(4- chlorophenyl)sulfonyl]- 5- (furan- 2- yl)- 4,5- dihydro- 1H- pyrazole
Smiles: Clc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccco1)c1ccc(cc1)Br

STK545214
Synonyms: (5Z)- 5- [(1- benzyl- 1H- indol- 3- yl)methylidene]- 1- (2- phenylethyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccccc2)/C(=O)N1CCc1ccccc1

STK545216
Synonyms: 2- [(2- ethyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl)sulfanyl]- N- (4- methylphenyl)acetamide
Smiles: CCc1nc(SCC(=O)Nc2ccc(cc2)C)c2c(n1)sc1c2CCCC1

STK545217
Synonyms: N- (furan- 2- ylmethyl)- 2- [(4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl)sulfanyl]acetamide
Smiles: O=C(NCc1ccco1)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK545218
Synonyms: ethyl4- ({[2- amino- 1- (2- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxalin- 3- yl]carbonyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccccc1

STK545219
Synonyms: 3- methyl- 2- pentyl- 1- (piperidin- 1- yl)pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCCCCc1c(C)c(C#N)c2n(c1N1CCCCC1)c1ccccc1n2

STK545220
Synonyms: 3- [(dibenzylamino)methyl]- 2,7,8- trimethylquinolin- 4- ol
Smiles: Cc1nc2c(C)c(C)ccc2c(c1CN(Cc1ccccc1)Cc1ccccc1)O

STK545225
Synonyms: N- (3- chlorophenyl)- 11- (4- fluorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Fc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1)Cl)c1ccccc1

STK545226
Synonyms: 2- [(4- methylbenzyl)sulfanyl]- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCn1c(SCc2ccc(cc2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545228
Synonyms: ethyl4- ({[2- amino- 1- (4- methoxybenzyl)- 1H- pyrrolo[2,3- b]quinoxalin- 3- yl]carbonyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc(cc1)OC

STK545230
Synonyms: 2- {[4,5- bis(4- chlorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1Z)- 1- (naphthalen- 1- yl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)Cl)N/N=C(\c1cccc2c1cccc2)/C

STK545231
Synonyms: 2,7- bis{[4- (2- chlorophenyl)piperazin- 1- yl]sulfonyl}- 9H- fluoren- 9- one
Smiles: O=C1c2cc(ccc2c2c1cc(cc2)S(=O)(=O)N1CCN(CC1)c1ccccc1Cl)S(=O)(=O)N1CCN(CC1)c1ccccc1Cl

STK545232
Synonyms: (10aS)- 2- [3- (pentafluorophenoxy)phenyl]- 10,10a- dihydroimidazo[1,5- b]isoquinoline- 1,3(2H,5H)- dione
Smiles: O=C1N2Cc3ccccc3C[C@H]2C(=O)N1c1cccc(c1)Oc1c(F)c(F)c(c(c1F)F)F

STK545235
Synonyms: (2E)- N- {[4- (carbamimidoylsulfamoyl)phenyl]carbamothioyl}- 3- (4- fluorophenyl)prop- 2- enamide
Smiles: NC(=N)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)F

STK545236
Synonyms: 3- butyl- 2- [(3- methylbutyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCCn1c(SCCC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545237
Synonyms: 1- [2- (diethylamino)ethyl]- 3- hydroxy- 4- [(4- methoxyphenyl)carbonyl]- 5- (4- nitrophenyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CCN(CCN1C(=O)C(=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)c1ccc(cc1)OC)O)CC

STK545238
Synonyms: (4bS,7aR,8S)- 6- (4- fluorophenyl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccccc2)N=CC=C1

STK545240
Synonyms: (8S,8aR,11aS)- 8- [(4- chlorophenyl)carbonyl]- 10- (2- methoxyphenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc(cc2)Cl)C=Cc2c1cccc2

STK545241
Synonyms: 2- methyl- 7- {[2- (3- methylpiperidin- 1- yl)ethyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: CC1CCCN(C1)CCNc1cc2oc3ccc(cc3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK545242
Synonyms: 2- {[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(s1)SCc1ccccc1

STK545244
Synonyms: N- [(E)- (5- chloro- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- 3- nitroaniline
Smiles: Cc1nn(c(c1/C=N/c1cccc(c1)[N+](=O)[O-])Cl)c1ccccc1

STK545245
Synonyms: 3- (2- methoxyphenyl)- 11- (2- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccccc1n1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1

STK545246
Synonyms: (8S,8aR,11aS)- 10- (4- butoxyphenyl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2c2ccccc2C=N1)C(=O)c1ccccc1

STK545247
Synonyms: 1- (piperidin- 1- yl)- 3- [2- (prop- 2- en- 1- yl)phenoxy]propan- 2- ol
Smiles: C=CCc1ccccc1OCC(CN1CCCCC1)O

STK545248
Synonyms: N- [4- ({[1,3- bis(2- methoxyphenyl)- 4,6- dioxo- 2- thioxotetrahydropyrimidin- 5(2H)- ylidene]methyl}amino)phenyl]acetamide
Smiles: COc1ccccc1N1C(=O)/C(=C/Nc2ccc(cc2)NC(=O)C)/C(=O)N(C1=S)c1ccccc1OC

STK545249
Synonyms: butyl4- [(8S,8aR,11aS)- 9,11- dioxo- 8- (phenylcarbonyl)- 8a,9,11a,11b- tetrahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazin- 10(11H)- yl]benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2c2ccccc2C=N1)C(=O)c1ccccc1

STK545250
Synonyms: 4- amino- N'- [(E)- {3- [(2- chlorophenoxy)methyl]- 4- methoxyphenyl}methylidene]- 1,2,5- oxadiazole- 3- carbohydrazonamide
Smiles: COc1ccc(cc1COc1ccccc1Cl)/C=N/N=C(/c1nonc1N)\N

STK545251
Synonyms: 2- [(2- phenyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl)sulfanyl]- 1- (piperidin- 1- yl)ethanone
Smiles: O=C(N1CCCCC1)CSc1nc(nc2c1c1CCCCc1s2)c1ccccc1

STK545252
Synonyms: butyl2- amino- 1- (3,5- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cc(C)cc(c1)C

STK545255
Synonyms: (3aR,4S,9aR,9bS)- 2- (1,3- benzodioxol- 5- yl)- 4- [(4- chlorophenyl)carbonyl]- 8- (phenylcarbonyl)- 3a,4,9a,9b- tetrahydro- 1H- pyrrolo[3,4- a]indolizine- 1,3(2H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)C(=O)c1ccccc1

STK545256
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (2,3- dihydro- 1H- indol- 1- ylmethyl)- N'- [(1E)- 1- (3- nitrophenyl)ethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CN1CCc2c1cccc2)c1nonc1N)N/N=C(/c1cccc(c1)[N+](=O)[O-])\C

STK545257
Synonyms: 2- [(4- amino- 6,8- diphenyl- 5,8- dihydro- 6H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- 1- (4- chlorophenyl)ethanone
Smiles: Clc1ccc(cc1)C(=O)CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1

STK545258
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- bromo- 4- [(2- chlorobenzyl)oxy]- 5- ethoxyphenyl}methylidene]- 5- (2,3- dihydro- 1H- indol- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CN2CCc3c2cccc3)c2nonc2N)cc(c1OCc1ccccc1Cl)Br

STK545259
Synonyms: 3- methyl- 2- (3- methylbutyl)- 1- [(3- methylbutyl)amino]pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: N#Cc1c(C)c(CCC(C)C)c(n2c1nc1c2cccc1)NCCC(C)C

STK545261
Synonyms: (4Z)- 4- (4- ethoxy- 3,5- diiodobenzylidene)- 2- (3- nitrophenyl)- 1,3- oxazol- 5(4H)- one
Smiles: CCOc1c(I)cc(cc1I)/C=C/1\N=C(OC1=O)c1cccc(c1)[N+](=O)[O-]

STK545262
Synonyms: N- [1- (1H- benzimidazol- 2- yl)butyl]- 4- fluorobenzamide
Smiles: CCCC(c1nc2c([nH]1)cccc2)NC(=O)c1ccc(cc1)F

STK545264
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- [(3- methylbenzyl)oxy]phenyl}methylidene]- 5- [(phenylamino)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Cc1cccc(c1)COc1cccc(c1)/C=N/NC(=O)c1nnn(c1CNc1ccccc1)c1nonc1N

STK545266
Synonyms: 2- benzyl- 3- methyl- 1- [4- (4- methylbenzyl)piperazin- 1- yl]pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: N#Cc1c(C)c(Cc2ccccc2)c(n2c1nc1c2cccc1)N1CCN(CC1)Cc1ccc(cc1)C

STK545267
Synonyms: ethyl4- cyano- 5- [({[3- cyano- 6- phenyl- 4- (trifluoromethyl)pyridin- 2- yl]sulfanyl}acetyl)amino]- 3- methylthiophene- 2- carboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nc(cc(c1C#N)C(F)(F)F)c1ccccc1

STK545268
Synonyms: 2- {[6- amino- 3,5- dicyano- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- (4- chlorophenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)Cl)nc(c(c1c1cccs1)C#N)N

STK545270
Synonyms: 3- [2- (4- bromo- 2- chlorophenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccc(cc1Cl)Br

STK545272
Synonyms: methyl2- ({[(5- methyl- 3- phenyl- 1,2- oxazol- 4- yl)carbonyl]carbamothioyl}amino)- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=S)NC(=O)c2c(C)onc2c2ccccc2)sc2c1CCC2

STK545273
Synonyms: N,N- diethyl- 2- {[3- (4- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCCC3)CC

STK545274
Synonyms: (3- amino- 5- ethyl- 4,6- dimethylthieno[2,3- b]pyridin- 2- yl)(3- chlorophenyl)methanone
Smiles: CCc1c(C)nc2c(c1C)c(N)c(s2)C(=O)c1cccc(c1)Cl

STK545275
Synonyms: 2- (2,4- dimethoxy- 3- methylphenyl)- 1H- phenanthro[9,10- d]imidazole
Smiles: COc1ccc(c(c1C)OC)c1nc2c([nH]1)c1ccccc1c1c2cccc1

STK545276
Synonyms: 6- iodo- 3- (2- methylphenyl)- 2- [(2- phenoxyethyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SCCOc1ccccc1)c1ccccc1C

STK545277
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (4- methoxy- 3- {[(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]methyl}phenyl)methylidene]- 5- [(phenylamino)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1CSc1nnc(s1)C)/C=N/NC(=O)c1nnn(c1CNc1ccccc1)c1nonc1N

STK545278
Synonyms: 3- [2- (4- ethylphenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: CCc1ccc(cc1)OCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC

STK545279
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (2- methoxyphenyl)methylidene]- 5- (piperidin- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N

STK545280
Synonyms: ethyl2- methyl- 5- oxo- 1- [3- (trifluoromethyl)phenyl]- 4- {[3- (trifluoromethyl)phenyl]amino}- 2,5- dihydro- 1H- pyrrole- 2- carboxylate
Smiles: CCOC(=O)C1(C)C=C(C(=O)N1c1cccc(c1)C(F)(F)F)Nc1cccc(c1)C(F)(F)F

STK545281
Synonyms: N- [2- (dimethylamino)ethyl]- 10H- phenothiazine- 10- carboxamide
Smiles: CN(CCNC(=O)N1c2ccccc2Sc2c1cccc2)C

STK545282
Synonyms: 3- {4- [(5E)- 5- {2- [(4- nitrobenzyl)oxy]benzylidene}- 4- oxo- 4,5- dihydro- 1,3- thiazol- 2- yl]piperazin- 1- yl}propanenitrile
Smiles: N#CCCN1CCN(CC1)C1=NC(=O)/C(=C\c2ccccc2OCc2ccc(cc2)[N+](=O)[O-])/S1

STK545283
Synonyms: N'- [(E)- {4- methoxy- 3- [(2,4,6- trichlorophenoxy)methyl]phenyl}methylidene]- 4- [(5- methyl- 3- nitro- 1H- pyrazol- 1- yl)methyl]benzohydrazide
Smiles: COc1ccc(cc1COc1c(Cl)cc(cc1Cl)Cl)/C=N/NC(=O)c1ccc(cc1)Cn1nc(cc1C)[N+](=O)[O-]

STK545284
Synonyms: 2- nitro- N- [(5Z)- 4- oxo- 5- (pyridin- 3- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: S=C1S/C(=C\c2cccnc2)/C(=O)N1NC(=O)c1ccccc1[N+](=O)[O-]

STK545286
Synonyms: 2- (4- methoxyphenyl)- 3- {2- [2- (propan- 2- yl)phenoxy]ethyl}quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccccc1C(C)C

STK545288
Synonyms: 1- (4- bromophenyl)- 3- hydroxy- 5- (3- nitrophenyl)- 4- (phenylcarbonyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Brc1ccc(cc1)N1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccccc1

STK545289
Synonyms: (8S,8aR,11aS)- 10- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 8- [(3- nitrophenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc2c(c1)OCCO2)c1cccc(c1)[N+](=O)[O-]

STK545290
Synonyms: [3- (6- bromo- 2- methyl- 4- phenylquinolin- 3- yl)- 5- (4- bromophenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl](2- chlorophenyl)methanone
Smiles: Brc1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1Cl)c1c(C)nc2c(c1c1ccccc1)cc(cc2)Br

STK545291
Synonyms: 2- [(E)- 2- (2,4- dichlorophenyl)ethenyl]- 6- iodo- 3- (naphthalen- 1- yl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(c(c1)Cl)/C=C/c1nc2ccc(cc2c(=O)n1c1cccc2c1cccc2)I

STK545293
Synonyms: 3- [(4- chlorophenyl)sulfonyl]- 1- (4- methylphenyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: Cc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)Cl

STK545294
Synonyms: N- benzyl- N- [3- (4- methoxyphenyl)- 4- phenylbutyl]propanamide
Smiles: CCC(=O)N(Cc1ccccc1)CCC(c1ccc(cc1)OC)Cc1ccccc1

STK545295
Synonyms: ethyl2- [({[5- (3- chloro- 1- benzothiophen- 2- yl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}acetyl)amino]- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nnc(o2)c2sc3c(c2Cl)cccc3)sc2c1CCC2

STK545296
Synonyms: N- [2- (dimethylamino)ethyl]- 3- methyl- 2- phenylbutanamide
Smiles: CC(C(c1ccccc1)C(=O)NCCN(C)C)C

STK545297
Synonyms: (2Z)- 2- cyano- 3- (4- ethoxy- 3- methoxyphenyl)- N- [5- (propan- 2- yl)- 1,3,4- thiadiazol- 2- yl]prop- 2- enamide
Smiles: CCOc1ccc(cc1OC)/C=C(\C(=O)Nc1nnc(s1)C(C)C)/C#N

STK545298
Synonyms: 1- butyl- 5- (2- fluorophenyl)- 3- hydroxy- 4- [(4- nitrophenyl)carbonyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CCCCN1C(=O)C(=C(C1c1ccccc1F)C(=O)c1ccc(cc1)[N+](=O)[O-])O

STK545299
Synonyms: (1'R,2'R)- 2'- (2,5- dimethoxyphenyl)- 1'- (phenylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: COc1ccc(c(c1)[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1)OC

STK545300
Synonyms: 1- amino- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carbohydrazide
Smiles: NNC(=O)c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1

STK545301
Synonyms: N- (2- methylphenyl)phenazine- 1- carboxamide
Smiles: Cc1ccccc1NC(=O)c1cccc2c1nc1ccccc1n2

STK545302
Synonyms: methyl4- {6- [(2,4- dimethoxyphenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}benzoate
Smiles: COc1ccc(c(c1)OC)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(=O)OC)c(nn1c1ccccc1)C

STK545304
Synonyms: 1- (4- chlorophenyl)- 3- (triphenyl- lambda~5~- phosphanylidene)pyrrolidine- 2,5- dione
Smiles: Clc1ccc(cc1)N1C(=O)CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C1=O

STK545305
Synonyms: diethyl[(2,4- dichlorophenyl)(phenylamino)methyl]phosphonate
Smiles: CCOP(=O)(C(c1ccc(cc1Cl)Cl)Nc1ccccc1)OCC

STK545306
Synonyms: 3- [2- (4- chloro- 2,6- dimethylphenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1c(C)cc(cc1C)Cl

STK545307
Synonyms: N- (2,4- dimethylphenyl)- 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK545308
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (2,3- dihydro- 1H- indol- 1- ylmethyl)- N'- [(1E)- 1- (2- hydroxyphenyl)ethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Nc1nonc1n1nnc(c1CN1CCc2c1cccc2)C(=O)N/N=C(/c1ccccc1O)\C

STK545309
Synonyms: 2- imino- 1- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carbonitrile
Smiles: N#Cc1cc2c(n(c1=N)C)nc1n(c2=O)cccc1

STK545310
Synonyms: butyl[3- (4- benzylpiperidin- 1- yl)quinoxalin- 2- yl](cyano)acetate
Smiles: CCCCOC(=O)C(c1nc2ccccc2nc1N1CCC(CC1)Cc1ccccc1)C#N

STK545311
Synonyms: N'~1~,N'~10~- bis[(E)- (4- hydroxyphenyl)methylidene]decanedihydrazide
Smiles: O=C(N/N=C/c1ccc(cc1)O)CCCCCCCCC(=O)N/N=C/c1ccc(cc1)O

STK545312
Synonyms: 4- bromobenzylN'- cyano- N- propan- 2- ylcarbamimidothioate
Smiles: CC(N/C(=N/C#N)/SCc1ccc(cc1)Br)C

STK545313
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- bromo- 4- [(2- chlorobenzyl)oxy]- 5- methoxyphenyl}methylidene]- 5- [(diethylamino)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cc(Br)c(c(c1)OC)OCc1ccccc1Cl)CC

STK545314
Synonyms: ethyl4- {[11- (4- chlorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)Cl)c(nn1c1ccccc1)C

STK545315
Synonyms: 3- (dipentylamino)- 1- (4- propoxyphenyl)pyrrolidine- 2,5- dione
Smiles: CCCCCN(C1CC(=O)N(C1=O)c1ccc(cc1)OCCC)CCCCC

STK545316
Synonyms: (4Z)- 4- (4- ethoxy- 3,5- diiodobenzylidene)- 2- (thiophen- 2- yl)- 1,3- oxazol- 5(4H)- one
Smiles: CCOc1c(I)cc(cc1I)/C=C/1\N=C(OC1=O)c1cccs1

STK545317
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- [(2,4- dichlorobenzyl)oxy]phenyl}methylidene]- 5- (2,3- dihydro- 1H- indol- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Clc1ccc(c(c1)Cl)COc1cccc(c1)/C=N/NC(=O)c1nnn(c1CN1CCc2c1cccc2)c1nonc1N

STK545318
Synonyms: 4- {[2,5- dioxo- 1- (4- propoxyphenyl)pyrrolidin- 3- yl](4- methoxybenzyl)amino}- 4- oxobutanoicacid
Smiles: CCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)CCC(=O)O)Cc1ccc(cc1)OC

STK545319
Synonyms: 2- [(4- methylbenzyl)sulfanyl]- 3- (2- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Cc1ccc(cc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCC3

STK545321
Synonyms: 2- ethoxy- 4- {(Z)- [2- (3- nitrophenyl)- 5- oxo- 1,3- oxazol- 4(5H)- ylidene]methyl}phenylbutanoate
Smiles: CCCC(=O)Oc1ccc(cc1OCC)/C=C/1\N=C(OC1=O)c1cccc(c1)[N+](=O)[O-]

STK545322
Synonyms: 2- {[6- amino- 3,5- dicyano- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- [2- (3,4- dimethoxyphenyl)ethyl]acetamide
Smiles: N#Cc1c(SCC(=O)NCCc2ccc(c(c2)OC)OC)nc(c(c1c1cccs1)C#N)N

STK545324
Synonyms: 2- [(5Z)- 5- benzylidene- 2,4- dioxo- 1,3- thiazolidin- 3- yl]propanoicacid
Smiles: CC(N1C(=O)S/C(=C\c2ccccc2)/C1=O)C(=O)O

STK545327
Synonyms: 4- methyl- N- {3- [(4- methylphenyl)sulfonyl]- 1- (tetrahydrofuran- 2- ylmethyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1n(CC2CCCO2)c2c(c1S(=O)(=O)c1ccc(cc1)C)nc1c(n2)cccc1

STK545328
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(diethylamino)methyl]- N'- [(1E)- 1- (4- methylphenyl)ethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(cc1)C)\C)CC

STK545331
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- methylpiperidin- 1- yl)methyl]- N'- (propan- 2- ylidene)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CC1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)NN=C(C)C

STK545332
Synonyms: 4- amino- N'- [(E)- {5- chloro- 2- [(2- chloro- 6- fluorobenzyl)oxy]phenyl}methylidene]- 1,2,5- oxadiazole- 3- carbohydrazonamide
Smiles: Clc1ccc(c(c1)/C=N/N=C(/c1nonc1N)\N)OCc1c(F)cccc1Cl

STK545335
Synonyms: 2- methoxyethyl2- amino- 1- (prop- 2- en- 1- yl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: C=CCn1c(N)c(c2c1nc1ccccc1n2)C(=O)OCCOC

STK545336
Synonyms: 2- (tert- butylamino)- 2- oxoethylN'- cyano- N- (4- fluorophenyl)carbamimidothioate
Smiles: N#C/N=C(/Nc1ccc(cc1)F)\SCC(=O)NC(C)(C)C

STK545337
Synonyms: 2- ({2- [(4- chlorophenyl)sulfonyl]ethyl}sulfanyl)- 6- (thiophen- 2- yl)- 4- (trifluoromethyl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(SCCS(=O)(=O)c2ccc(cc2)Cl)nc(cc1C(F)(F)F)c1cccs1

STK545338
Synonyms: (8S,8aR,11aS)- 10- (2,4- dichlorophenyl)- 8- [(4- methoxyphenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl)cccc3

STK545340
Synonyms: N- (3- cyano- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)- 2- [(3- cyano- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]pyridin- 2- yl)sulfanyl]acetamide
Smiles: N#Cc1cc2CCCCCc2nc1SCC(=O)Nc1sc2c(c1C#N)CCCC2

STK545341
Synonyms: methyl5- chloro- 3- {[3- (3,3- dimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CC3CC1CC(C3)(C)C)cc(cc2)Cl

STK545343
Synonyms: 2- ethyl- 1- [4- (4- methoxybenzyl)piperazin- 1- yl]- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N1CCN(CC1)Cc1ccc(cc1)OC)c1ccccc1n2

STK545344
Synonyms: 11- (4- fluorophenyl)- 3- (4- methoxyphenyl)- 10- [(2E)- 3- phenylprop- 2- enoyl]- 2,3,4,5,10,11- hexahydro- 1H- dibenzo[b,e][1,4]diazepin- 1- one
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccc(cc1)F)C(=O)/C=C/c1ccccc1

STK545345
Synonyms: 2- bromo- 4- nitro- 6- [(E)- {[1- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)ethyl]imino}methyl]phenol
Smiles: CC(C12CC3CC(C2)CC(C1)C3)/N=C/c1cc(cc(c1O)Br)[N+](=O)[O-]

STK545346
Synonyms: (8R,8aS,11aR)- 10- (3- nitrophenyl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: O=C([C@H]1[C@H]2C(=O)N(C(=O)[C@H]2C2N1N=Cc1c2cccc1)c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK545347
Synonyms: 2- {[3- cyano- 6- methyl- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- (3- cyano- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc(cc1c1cccs1)C

STK545348
Synonyms: N'- {(E)- [4- (benzyloxy)- 3- bromo- 5- methoxyphenyl]methylidene}- 2- (5- methyl- 3- nitro- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nc(cc2C)[N+](=O)[O-])cc(c1OCc1ccccc1)Br

STK545350
Synonyms: 4- (5,10- diiodo- 1H- phenanthro[9,10- d]imidazol- 2- yl)- 2- ethoxyphenol
Smiles: CCOc1cc(ccc1O)c1nc2c([nH]1)c1cc(I)ccc1c1c2cc(I)cc1

STK545351
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(1E)- 1- [4- (benzyloxy)- 3- methoxyphenyl]ethylidene}- 5- (morpholin- 4- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(ccc1OCc1ccccc1)/C(=N/NC(=O)c1nnn(c1CN1CCOCC1)c1nonc1N)/C

STK545352
Synonyms: butylcyano[3- (piperidin- 1- yl)quinoxalin- 2- yl]acetate
Smiles: CCCCOC(=O)C(c1nc2ccccc2nc1N1CCCCC1)C#N

STK545354
Synonyms: 3- [(4- chlorophenyl)sulfonyl]- 1- pentyl- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: CCCCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)Cl

STK545356
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [4- (benzyloxy)- 3- ethoxyphenyl]methylidene}- 5- phenyl- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2c2ccccc2)c2nonc2N)ccc1OCc1ccccc1

STK545357
Synonyms: ethyl4- {3- hydroxy- 5- (4- methoxyphenyl)- 4- [(4- methoxyphenyl)carbonyl]- 2- oxo- 2,5- dihydro- 1H- pyrrol- 1- yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)C(=C(C1c1ccc(cc1)OC)C(=O)c1ccc(cc1)OC)O

STK545358
Synonyms: [3- (3- {[(2- chlorophenyl)carbonyl]amino}pyridinium- 1- yl)quinoxalin- 2- yl](phenylsulfonyl)azanide
Smiles: O=C(c1ccccc1Cl)Nc1ccc[n+](c1)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1

STK545360
Synonyms: ethyl(2E)- 3- (3,4- diethoxyphenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoate
Smiles: CCOC(=O)/C(=C\c1ccc(c(c1)OCC)OCC)/NC(=O)c1ccccc1

STK545361
Synonyms: N- (3- cyano- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl)- 2- [(3- cyano- 5,6,7,8- tetrahydroquinolin- 2- yl)sulfanyl]acetamide
Smiles: N#Cc1cc2CCCCc2nc1SCC(=O)Nc1sc2c(c1C#N)CCC2

STK545362
Synonyms: 2- [(3- cyano- 4- phenyl- 6,7- dihydro- 5H- cyclopenta[b]pyridin- 2- yl)sulfanyl]- N- (3- cyano- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc2c(c1c1ccccc1)CCC2

STK545363
Synonyms: 2- {[5- (4- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- fluorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl

STK545364
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(diethylamino)methyl]- N'- [(E)- (4- propoxyphenyl)methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCCOc1ccc(cc1)/C=N/NC(=O)c1nnn(c1CN(CC)CC)c1nonc1N

STK545365
Synonyms: 8- chloro- N- [2- (4- fluorophenyl)ethyl]- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: Fc1ccc(cc1)CCNc1ncnc2c1[nH]c1c2cc(cc1)Cl

STK545366
Synonyms: 4- {4- (4- chlorophenyl)- 5- [(2- methylbenzyl)sulfanyl]- 4H- 1,2,4- triazol- 3- yl}pyridine
Smiles: Clc1ccc(cc1)n1c(SCc2ccccc2C)nnc1c1ccncc1

STK545368
Synonyms: {3- [4- (2- methoxyphenyl)piperazin- 1- yl]quinoxalin- 2- yl}[(4- methylphenyl)sulfonyl]acetonitrile
Smiles: N#CC(S(=O)(=O)c1ccc(cc1)C)c1nc2ccccc2nc1N1CCN(CC1)c1ccccc1OC

STK545369
Synonyms: 1- benzyl- 2- {[(4- chlorophenyl)sulfonyl]amino}- N- (2- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Clc1ccc(cc1)S(=O)(=O)Nc1n(Cc2ccccc2)c2c(c1C(=O)NCCc1ccccc1)nc1c(n2)cccc1

STK545370
Synonyms: 4- [(5- methyl- 3- nitro- 1H- pyrazol- 1- yl)methyl]- N'- {(E)- [5- (4- nitrophenyl)furan- 2- yl]methylidene}benzohydrazide
Smiles: O=C(c1ccc(cc1)Cn1nc(cc1C)[N+](=O)[O-])N/N=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]

STK545371
Synonyms: methyl4- [3- (4- tert- butylphenyl)- 1- oxo- 2,3,4,5,10,11- hexahydro- 1H- dibenzo[b,e][1,4]diazepin- 11- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)C(C)(C)C

STK545372
Synonyms: N- (4- bromophenyl)- 2- [(2- phenyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nc(nc2c1c1CCCCc1s2)c1ccccc1

STK545373
Synonyms: (1'R,2'R)- 1'- [(4- methoxyphenyl)carbonyl]- 2'- (3- nitrophenyl)- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1

STK545374
Synonyms: 2- (4- methoxyphenyl)- 3- {2- [2- methoxy- 4- (prop- 2- en- 1- yl)phenoxy]ethyl}quinazolin- 4(3H)- one
Smiles: C=CCc1ccc(c(c1)OC)OCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC

STK545377
Synonyms: methyl[6- bromo- 2- (4- nitrophenyl)- 4- phenyl- 1,4- dihydroquinazolin- 3(2H)- yl]acetate
Smiles: COC(=O)CN1C(Nc2c(C1c1ccccc1)cc(cc2)Br)c1ccc(cc1)[N+](=O)[O-]

STK545378
Synonyms: 2- [(3- butyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (3- methoxyphenyl)acetamide
Smiles: CCCCn1c(SCC(=O)Nc2cccc(c2)OC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545379
Synonyms: 7- methyl- 4- (4- methylpiperazin- 1- yl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine
Smiles: CC1CCc2c(C1)sc1c2c(ncn1)N1CCN(CC1)C

STK545380
Synonyms: 2,7- bis{[4- (4- chlorobenzyl)piperazin- 1- yl]sulfonyl}- 9H- fluoren- 9- one
Smiles: Clc1ccc(cc1)CN1CCN(CC1)S(=O)(=O)c1ccc2c(c1)C(=O)c1c2ccc(c1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl

STK545381
Synonyms: butyl2- amino- 1- [2- (4- methoxyphenyl)ethyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccc(cc1)OC

STK545383
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- [(3- chlorobenzyl)oxy]phenyl}methylidene]- 5- (2,3- dihydro- 1H- indol- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Clc1cccc(c1)COc1cccc(c1)/C=N/NC(=O)c1nnn(c1CN1CCc2c1cccc2)c1nonc1N

STK545384
Synonyms: 3- [2- (4- tert- butylphenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccc(cc1)C(C)(C)C

STK545385
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- methylpiperidin- 1- yl)methyl]- N'- [(1E)- 2- phenylpropylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CC1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/C(c1ccccc1)C

STK545386
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- benzyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccccc1)C

STK545387
Synonyms: 6- methyl- 4- (4- nitrophenyl)- 6- phenyl- 2- oxa- 3- azabicyclo[3.1.0]hex- 3- ene
Smiles: CC1(C2C1C(=NO2)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK545388
Synonyms: (2Z)- 2- (diphenylphosphoryl)- 3- hydroxybut- 2- enenitrile
Smiles: N#C/C(=C(/O)\C)/P(=O)(c1ccccc1)c1ccccc1

STK545389
Synonyms: ethylN- (3- cyano- 5- nitropyridin- 2- yl)glycinate
Smiles: CCOC(=O)CNc1ncc(cc1C#N)[N+](=O)[O-]

STK545390
Synonyms: 2- {[3- (2- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N,N- dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCC3)CCC

STK545391
Synonyms: (6aR,6bS,9aR,10S)- 10- [(4- bromophenyl)carbonyl]- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C1NC(=O)[C@H]2[C@@H]1[C@@H](C(=O)c1ccc(cc1)Br)N1[C@@H]2C=Cc2c1cccc2

STK545392
Synonyms: (6aS,6bR,9aS,10R)- 10- [(3- bromo- 4- methoxyphenyl)carbonyl]- 8- (3- fluorophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)F)C=Cc1c2cccc1

STK545393
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- (2- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCC3

STK545394
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {4- [(2- chloro- 4- fluorobenzyl)oxy]- 3- methoxyphenyl}methylidene]- 5- (piperidin- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CN2CCCCC2)c2nonc2N)ccc1OCc1ccc(cc1Cl)F

STK545395
Synonyms: 1- [(3,5- dichlorophenyl)amino]- 3- methyl- 2- (3- methylbutyl)pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: N#Cc1c(C)c(CCC(C)C)c(n2c1nc1c2cccc1)Nc1cc(Cl)cc(c1)Cl

STK545396
Synonyms: 1- benzyl- 2- imino- N- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: CNC(=O)c1cc2c(n(c1=N)Cc1ccccc1)nc1n(c2=O)cccc1

STK545397
Synonyms: 5- ({[3- (1H- imidazol- 1- yl)propyl]amino}methylidene)- 1,3- bis(2- methoxyphenyl)- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccccc1N1C(=O)/C(=C/NCCCn2cncc2)/C(=O)N(C1=S)c1ccccc1OC

STK545398
Synonyms: N- [1- (1H- benzimidazol- 2- yl)- 3- (methylsulfanyl)propyl]cyclohexanecarboxamide
Smiles: CSCCC(c1nc2c([nH]1)cccc2)NC(=O)C1CCCCC1

STK545399
Synonyms: (8S,8aR,11aS)- 8- [(4- chlorophenyl)carbonyl]- 10- (2,4- dimethylphenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2N=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)C)cccc3

STK545400
Synonyms: (5E)- 2- [4- (4- chlorophenyl)piperazin- 1- yl]- 5- {4- [(4- nitrobenzyl)oxy]benzylidene}- 1,3- thiazol- 4(5H)- one
Smiles: Clc1ccc(cc1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(cc2)OCc2ccc(cc2)[N+](=O)[O-])/S1

STK545401
Synonyms: methyl5- cyano- 4- (4- methoxyphenyl)- 6- ({2- [(3- methoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- oxo- 1,2,3,4- tetrahydropyridine- 3- carboxylate
Smiles: COc1ccc(cc1)C1C(C(=O)OC)C(=O)NC(=C1C#N)SCC(=O)Nc1cccc(c1)OC

STK545402
Synonyms: 3- (4- tert- butylphenyl)- 11- (4- fluorophenyl)- 2,3,4,5,10,11- hexahydro- 1H- dibenzo[b,e][1,4]diazepin- 1- one
Smiles: Fc1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)C(C)(C)C

STK545403
Synonyms: (8R,8aS,11aR,11bR)- 10- (1,3- benzodioxol- 5- yl)- 8- [(3- bromo- 4- methoxyphenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2C=Cc3c([C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3

STK545404
Synonyms: 11- (4- tert- butylphenyl)- N- (3- chloro- 4- fluorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1nn(c2c1C(c1ccc(cc1)C(C)(C)C)n1c(=N2)c(Nc2ccc(c(c2)Cl)F)nc2c1cccc2)c1ccccc1

STK545406
Synonyms: N- (diphenylmethyl)- 2- [(5- ethyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]acetamide
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)NC(c1ccccc1)c1ccccc1)nn2)CCCC3

STK545407
Synonyms: 3- [2- (4- ethoxyphenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: CCOc1ccc(cc1)OCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC

STK545408
Synonyms: N- (1,3- benzodioxol- 5- ylmethyl)- 2- {[3- cyano- 6- phenyl- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc(cc1c1cccs1)c1ccccc1

STK545409
Synonyms: 2,6- bis[2- (3,4- dimethoxyphenyl)ethyl]- 4- ethyl- 9,10- diphenylhexahydro- 4,8- ethenopyrrolo[3,4- f]isoindole- 1,3,5,7(2H,6H)- tetrone
Smiles: COc1cc(ccc1OC)CCN1C(=O)C2C(C1=O)C1(CC)C3C(C2C(=C1c1ccccc1)c1ccccc1)C(=O)N(C3=O)CCc1ccc(c(c1)OC)OC

STK545410
Synonyms: (8S,8aR,11aS)- 10- (3- bromophenyl)- 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)c1cccc(c1)Br)cccc3

STK545411
Synonyms: 2- (3- {2- [(2- chlorophenyl)carbonyl]hydrazinyl}- 3- oxopropyl)hexanoicacid
Smiles: CCCCC(C(=O)O)CCC(=O)NNC(=O)c1ccccc1Cl

STK545412
Synonyms: N- (2,5- dimethylphenyl)- 11- (4- ethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cc(C)ccc1C)nc1c2cccc1

STK545413
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {4- [(4- chlorobenzyl)oxy]- 3- methoxyphenyl}methylidene]- 5- methyl- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2C)c2nonc2N)ccc1OCc1ccc(cc1)Cl

STK545414
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- [(3- chlorobenzyl)oxy]phenyl}methylidene]- 5- [(4- methylpiperidin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CC1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccc(c1)OCc1cccc(c1)Cl

STK545415
Synonyms: 3- {(Z)- [3- (3- ethoxypropyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 2- [4- (2- hydroxyethyl)piperazin- 1- yl]- 7- methyl- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: OCCN1CCN(CC1)c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCOCC)C

STK545416
Synonyms: pentyl(4- methyl- 6- oxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5- yl)acetate
Smiles: Cc1nc(S)[nH]c(=O)c1CC(=O)OCCCCC

STK545417
Synonyms: 2- {[3- benzyl- 4- oxo- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (2- chlorophenyl)acetamide
Smiles: O=C(Nc1ccccc1Cl)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(OC3)C(C)C

STK545418
Synonyms: [3- (4- benzylpyridinium- 1- yl)- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl][(4- bromophenyl)sulfonyl]azanide
Smiles: Brc1ccc(cc1)S(=O)(=O)[N-]C1=C([n+]2ccc(cc2)Cc2ccccc2)C(=O)c2c(C1=O)cccc2

STK545419
Synonyms: N- (1,3- benzodioxol- 5- yl)- 2- {[3- cyano- 6- (4- methoxyphenyl)- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)Nc2ccc3c(c2)OCO3)c(c(c1)c1cccs1)C#N

STK545420
Synonyms: N- (2- {(2Z)- 2- [1- (3- cyanopropyl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]hydrazinyl}- 2- oxoethyl)- 4- methoxybenzamide(non- preferredname)
Smiles: N#CCCCN1c2ccccc2/C(=N/NC(=O)CNC(=O)c2ccc(cc2)OC)/C1=O

STK545421
Synonyms: butyl2- amino- 1- (3,4- dimethoxyphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)OC)OC

STK545422
Synonyms: 2- (2- cyanoethyl)- 1- {[2- (dimethylamino)ethyl]amino}- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: N#CCCc1c(C)c(C#N)c2n(c1NCCN(C)C)c1ccccc1n2

STK545423
Synonyms: N- {1,1,1,3,3,3- hexafluoro- 2- [2- (4- fluorophenyl)hydrazinyl]propan- 2- yl}- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)NC(C(F)(F)F)(C(F)(F)F)NNc1ccc(cc1)F

STK545424
Synonyms: 3- [2- (4- chloro- 3- ethylphenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: CCc1cc(OCCn2c(nc3c(c2=O)cccc3)c2ccc(cc2)OC)ccc1Cl

STK545426
Synonyms: (3E)- N- (3- chloro- 4- methoxyphenyl)- 3- (2- {[(3- methoxyphenyl)amino](oxo)acetyl}hydrazinylidene)butanamide
Smiles: COc1cccc(c1)NC(=O)C(=O)N/N=C(/CC(=O)Nc1ccc(c(c1)Cl)OC)\C

STK545427
Synonyms: 2- imino- N,1- dimethyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: CNC(=O)c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1

STK545428
Synonyms: 1- benzyl- 2- imino- 5- oxo- N- (2- phenylethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: O=C(c1cc2c(n(c1=N)Cc1ccccc1)nc1n(c2=O)cccc1)NCCc1ccccc1

STK545429
Synonyms: 3- hydroxy- 1- (4- hydroxyphenyl)- 5- (4- methoxyphenyl)- 4- (phenylcarbonyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: COc1ccc(cc1)C1N(c2ccc(cc2)O)C(=O)C(=C1C(=O)c1ccccc1)O

STK545431
Synonyms: 3- amino- N- (3- chloro- 4- methylphenyl)- 4- (furan- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: Cc1ccc(cc1Cl)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCC1

STK545433
Synonyms: (3aR,4S,9aR,9bS)- 4- [(3- bromo- 4- methoxyphenyl)carbonyl]- 2- (4- bromophenyl)- 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)c1ccc(cc1)Br)C(=O)c1ccccc1

STK545434
Synonyms: 4- [(4- chlorophenyl)carbonyl]- 5- (3,4- dimethoxyphenyl)- 3- hydroxy- 1- (4- methoxyphenyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: COc1cc(ccc1OC)C1N(c2ccc(cc2)OC)C(=O)C(=C1C(=O)c1ccc(cc1)Cl)O

STK545436
Synonyms: N- (4- chloro- 3- nitrophenyl)- 11- (4- chlorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Clc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)[N+](=O)[O-])Cl)c1ccccc1

STK545439
Synonyms: 2- {[6- iodo- 3- (3- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2ccc(cc2c(=O)n1c1cccc(c1)C)I

STK545441
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (2,5- dimethoxyphenyl)methylidene]- 5- [(4- methylpiperazin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)c1nnn(c1CN1CCN(CC1)C)c1nonc1N)OC

STK545442
Synonyms: 2- (2,4- dichlorophenyl)- 6- (morpholin- 4- yl)- 4,4- bis(trifluoromethyl)- 4H- 1,3,5- oxadiazine
Smiles: Clc1ccc(c(c1)Cl)C1=NC(N=C(O1)N1CCOCC1)(C(F)(F)F)C(F)(F)F

STK545443
Synonyms: 3- hydroxy- 1- (3- hydroxypropyl)- 4- [(4- methylphenyl)carbonyl]- 5- (4- nitrophenyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: OCCCN1C(c2ccc(cc2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccc(cc1)C

STK545444
Synonyms: benzyl(8S,8aR)- 6- amino- 5,7,7- tricyano- 8- [4- (trifluoromethoxy)phenyl]- 3,7,8,8a- tetrahydroisoquinoline- 2(1H)- carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)OC(F)(F)F)(C#N)C#N

STK545445
Synonyms: ethyl6- amino- 5- cyano- 2- (4- methoxyphenyl)- 4- phenyl- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(OC(=C(C1c1ccccc1)C#N)N)c1ccc(cc1)OC

STK545446
Synonyms: 7- tert- butyl- 3- (3- methylphenyl)- 2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCC(C3)C(C)(C)C

STK545447
Synonyms: 3- (4- methoxyphenyl)- 3a- (4- nitrophenyl)- 2,5- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(cc1)C1N(OC2C1(c1ccc(cc1)[N+](=O)[O-])C(=O)N(C2=O)c1ccccc1)c1ccccc1

STK545449
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- methyl- N- phenylacetamide
Smiles: CN(c1ccccc1)C(=O)CSc1nc(nc2c1c1CC(C)(C)OCc1s2)c1ccccc1

STK545450
Synonyms: 3- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 5- phenyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CC(=C)CSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1

STK545451
Synonyms: 1- butyl- 5- (2- fluorophenyl)- 3- hydroxy- 4- [(4- methoxyphenyl)carbonyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CCCCN1C(=O)C(=C(C1c1ccccc1F)C(=O)c1ccc(cc1)OC)O

STK545453
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (2,3- dihydro- 1H- indol- 1- ylmethyl)- N'- [(E)- {3- ethoxy- 4- [(2- methylbenzyl)oxy]phenyl}methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CN2CCc3c2cccc3)c2nonc2N)ccc1OCc1ccccc1C

STK545454
Synonyms: (6aS,6bR,9aS,10R)- 8- (4- acetylphenyl)- 10- (1H- benzotriazol- 1- ylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C1N(c2ccc(cc2)C(=O)C)C(=O)[C@@H]2[C@H]1[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2

STK545455
Synonyms: (6aS,6bR,9aS,10R)- 10- [(3- bromo- 4- methoxyphenyl)carbonyl]- 8- (2- fluorophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1F)C=Cc1c2cccc1

STK545456
Synonyms: 1- benzyl- 2- {[(2- chlorophenyl)carbonyl]amino}- N- hexyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCCCNC(=O)c1c(NC(=O)c2ccccc2Cl)n(c2c1nc1ccccc1n2)Cc1ccccc1

STK545458
Synonyms: 3- [(dimethylamino)methyl]- 2,7,8- trimethylquinolin- 4- ol
Smiles: CN(Cc1c(C)nc2c(c1O)ccc(c2C)C)C

STK545459
Synonyms: (8S,8aR,11aS)- 10- (3- chlorophenyl)- 8- [(3- nitrophenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: Clc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2cccc(c2)[N+](=O)[O-])C=Cc2c1cccc2

STK545460
Synonyms: methyl2- (acetylamino)- 3,3,3- trifluoro- N- [6- (methylsulfonyl)- 1,3- benzothiazol- 2- yl]alaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1nc2c(s1)cc(cc2)S(=O)(=O)C)NC(=O)C

STK545461
Synonyms: 1- [(4- tert- butylbenzyl)oxy]- 3- [4- (decyloxy)phenyl]quinoxalin- 2(1H)- one4- oxide
Smiles: CCCCCCCCCCOc1ccc(cc1)c1[n+]([O-])c2ccccc2n(c1=O)OCc1ccc(cc1)C(C)(C)C

STK545462
Synonyms: 4- (3,5- dimethylpiperidin- 1- yl)- 8- methyl- 5H- pyrimido[5,4- b]indole
Smiles: CC1CC(C)CN(C1)c1ncnc2c1[nH]c1c2cc(cc1)C

STK545463
Synonyms: 7- (benzylsulfanyl)- 4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: c1ccc(cc1)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK545464
Synonyms: ethyl7,8- dichloro- 4- {[4- (morpholin- 4- yl)phenyl]amino}quinoline- 3- carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)N1CCOCC1)ccc(c2Cl)Cl

STK545466
Synonyms: 4- [(4- bromophenyl)carbonyl]- 5- (4- chlorophenyl)- 3- hydroxy- 1- (prop- 2- en- 1- yl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: C=CCN1C(=O)C(=C(C1c1ccc(cc1)Cl)C(=O)c1ccc(cc1)Br)O

STK545468
Synonyms: 11- [4- (benzyloxy)phenyl]- 3- (4- methylphenyl)- 10- propanoyl- 2,3,4,5,10,11- hexahydro- 1H- dibenzo[b,e][1,4]diazepin- 1- one
Smiles: CCC(=O)N1C(c2ccc(cc2)OCc2ccccc2)C2=C(Nc3c1cccc3)CC(CC2=O)c1ccc(cc1)C

STK545472
Synonyms: (8S,8aR,11aS)- 10- (4- bromophenyl)- 8- [(3- nitrophenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: Brc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2cccc(c2)[N+](=O)[O-])C=Cc2c1cccc2

STK545473
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (2,3- dihydro- 1H- indol- 1- ylmethyl)- N'- [(1E)- 1- (4- hydroxy- 3- methoxyphenyl)ethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(ccc1O)/C(=N/NC(=O)c1nnn(c1CN1CCc2c1cccc2)c1nonc1N)/C

STK545474
Synonyms: 2- {4- [(1E)- 1- (2- {[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (piperidin- 1- ylmethyl)- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)ethyl]- 2- methoxyphenoxy}acetamide
Smiles: COc1cc(ccc1OCC(=O)N)/C(=N/NC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N)/C

STK545475
Synonyms: 11- (4- tert- butylphenyl)- 3- (4- methoxyphenyl)- 10- (trifluoroacetyl)- 2,3,4,5,10,11- hexahydro- 1H- dibenzo[b,e][1,4]diazepin- 1- one
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccc(cc1)C(C)(C)C)C(=O)C(F)(F)F

STK545476
Synonyms: (8S,8aR,11aS)- N- (4- chlorophenyl)- 10- (3,5- dichlorophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl)cccc3

STK545477
Synonyms: methyl4- {[({5- [(naphthalen- 1- ylmethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(s1)SCc1cccc2c1cccc2

STK545478
Synonyms: 4- [(5- methyl- 3- nitro- 1H- pyrazol- 1- yl)methyl]- N'- {(E)- [5- (3- nitrophenyl)furan- 2- yl]methylidene}benzohydrazide
Smiles: O=C(c1ccc(cc1)Cn1nc(cc1C)[N+](=O)[O-])N/N=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-]

STK545479
Synonyms: ethyl4- {[11- (2- methoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1OC)C)c1ccccc1

STK545480
Synonyms: 1- (4- benzylpiperazin- 1- yl)- 3- methyl- 2- phenylbutan- 1- one
Smiles: CC(C(C(=O)N1CCN(CC1)Cc1ccccc1)c1ccccc1)C

STK545481
Synonyms: 2- {[2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- 2- oxoethyl]sulfanyl}- 4- phenyl- 6- (thiophen- 2- yl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(SCC(=O)N2CCc3c(C2)cc(c(c3)OC)OC)nc(cc1c1ccccc1)c1cccs1

STK545482
Synonyms: N- [2- chloro- 5- (trifluoromethyl)phenyl]- 2- ({5- [(naphthalen- 1- ylmethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)acetamide
Smiles: O=C(Nc1cc(ccc1Cl)C(F)(F)F)CSc1nnc(s1)SCc1cccc2c1cccc2

STK545483
Synonyms: (9E)- 9- (2,4- dichlorobenzylidene)- 5- (2,4- dichlorophenyl)- 3- (4- methoxyphenyl)- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: COc1ccc(cc1)c1csc2=NC3=C(C(n12)c1ccc(cc1Cl)Cl)CCC/C/3=C\c1ccc(cc1Cl)Cl

STK545485
Synonyms: (2Z)- 2- (2,6- dichlorobenzylidene)- 1- azabicyclo[2.2.2]octan- 3- one
Smiles: O=C1C2CCN(/C/1=C\c1c(Cl)cccc1Cl)CC2

STK545486
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {2- [(2- chloro- 6- fluorobenzyl)oxy]- 3- methoxyphenyl}methylidene]- 5- (2,3- dihydro- 1H- indol- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cccc(c1OCc1c(F)cccc1Cl)/C=N/NC(=O)c1nnn(c1CN1CCc2c1cccc2)c1nonc1N

STK545487
Synonyms: (2E)- 3- (4- bromophenyl)- N- {[4- (1,3- thiazol- 2- ylsulfamoyl)phenyl]carbamothioyl}prop- 2- enamide
Smiles: S=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)NC(=O)/C=C/c1ccc(cc1)Br

STK545488
Synonyms: ethyl4- {[10- methyl- 11- (3- nitrophenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)[N+](=O)[O-])c(nn1c1ccccc1)C

STK545489
Synonyms: 3- [2- (2- bromo- 4- chlorophenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccc(cc1Br)Cl

STK545491
Synonyms: (3aR,4S,9aR,9bS)- 4- [(4- chlorophenyl)carbonyl]- 2- (naphthalen- 1- yl)- 8- (phenylcarbonyl)- 3a,4,9a,9b- tetrahydro- 1H- pyrrolo[3,4- a]indolizine- 1,3(2H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2)C(=O)c1ccccc1

STK545492
Synonyms: 3- [2- (4- iodophenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccc(cc1)I

STK545496
Synonyms: 3- (2- chlorophenyl)- 7- hydroxy- 8- [(2- methylpiperidin- 1- yl)methyl]- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: CC1CCCCN1Cc1c(O)ccc2c1oc(c(c2=O)c1ccccc1Cl)C(F)(F)F

STK545497
Synonyms: 2- {[3- cyano- 4- (2- fluorophenyl)- 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(C1c1ccccc1F)C(=O)CCC2

STK545498
Synonyms: 2- (4- methoxyphenyl)- 3- {2- [2- (prop- 2- en- 1- yl)phenoxy]ethyl}quinazolin- 4(3H)- one
Smiles: C=CCc1ccccc1OCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC

STK545500
Synonyms: 1- (4- bromophenyl)- 3- [(4- bromophenyl)amino]- 5- (3,4- dimethoxyphenyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: COc1ccc(cc1OC)C1C=C(C(=O)N1c1ccc(cc1)Br)Nc1ccc(cc1)Br

STK545501
Synonyms: {4- amino- 2- [(3- fluorophenyl)amino]- 1,3- thiazol- 5- yl}(tricyclo[3.3.1.1~3,7~]dec- 1- yl)methanone
Smiles: Fc1cccc(c1)Nc1nc(c(s1)C(=O)C12CC3CC(C2)CC(C1)C3)N

STK545504
Synonyms: 1,1'- piperazine- 1,4- diylbis[3- (4- bromophenoxy)propan- 2- ol]
Smiles: OC(CN1CCN(CC1)CC(COc1ccc(cc1)Br)O)COc1ccc(cc1)Br

STK545505
Synonyms: 2- {[6- amino- 3,5- dicyano- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- (3- chlorophenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2cccc(c2)Cl)nc(c(c1c1cccs1)C#N)N

STK545506
Synonyms: (3aR,4S,9aR,9bS)- 2- (4- bromophenyl)- 4- [(4- chlorophenyl)carbonyl]- 8- (phenylcarbonyl)- 3a,4,9a,9b- tetrahydro- 1H- pyrrolo[3,4- a]indolizine- 1,3(2H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Br)C(=O)c1ccccc1

STK545507
Synonyms: 5- (2,4- dichlorophenyl)- 3- hydroxy- 4- [(4- methoxy- 2- methylphenyl)carbonyl]- 1- (3- methoxypropyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: COCCCN1C(=O)C(=C(C1c1ccc(cc1Cl)Cl)C(=O)c1ccc(cc1C)OC)O

STK545508
Synonyms: 6- bromo- 4- (2- chlorophenyl)- 3- (morpholin- 4- yl)- 3,4- dihydroquinolin- 2(1H)- one
Smiles: Brc1ccc2c(c1)C(C(C(=O)N2)N1CCOCC1)c1ccccc1Cl

STK545509
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [4- (benzyloxy)- 3- methoxyphenyl]methylidene}- 5- phenyl- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2c2ccccc2)c2nonc2N)ccc1OCc1ccccc1

STK545510
Synonyms: propan- 2- yl2- amino- 1- (2,4- dimethoxyphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COc1cc(OC)ccc1n1c2nc3ccccc3nc2c(c1N)C(=O)OC(C)C

STK545511
Synonyms: N- [1- (1- benzyl- 1H- benzimidazol- 2- yl)ethyl]- 3- chlorobenzamide
Smiles: Clc1cccc(c1)C(=O)NC(c1nc2c(n1Cc1ccccc1)cccc2)C

STK545512
Synonyms: N'- {(E)- [1- (4- chlorophenyl)- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene]methyl}pentanehydrazide
Smiles: CCCCC(=O)NN/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl

STK545513
Synonyms: 3- [3- (4- tert- butylphenoxy)propyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccc(cc1)C(C)(C)C

STK545514
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1E)- 1- {4- [(4- bromobenzyl)oxy]phenyl}ethylidene]- 5- methyl- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Brc1ccc(cc1)COc1ccc(cc1)/C(=N/NC(=O)c1nnn(c1C)c1nonc1N)/C

STK545515
Synonyms: ethyl3- [1- (4- benzylpiperazin- 1- yl)- 4- cyano- 3- methylpyrido[1,2- a]benzimidazol- 2- yl]propanoate
Smiles: CCOC(=O)CCc1c(C)c(C#N)c2n(c1N1CCN(CC1)Cc1ccccc1)c1ccccc1n2

STK545517
Synonyms: (8S,8aR,11aS)- 8- [(4- methoxyphenyl)carbonyl]- 10- [2- (trifluoromethyl)phenyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1C(F)(F)F)cccc3

STK545518
Synonyms: 2- amino- N- [2- (cyclohex- 1- en- 1- yl)ethyl]- 1- (3,5- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Cc1cc(C)cc(c1)n1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCC1=CCCCC1

STK545519
Synonyms: 2- {[3- (2- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N,N- dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1OC)CCCCC3)CCC

STK545520
Synonyms: 3- (1- benzyl- 1H- indol- 3- yl)- 1- (3- methylphenyl)pyrrolidine- 2,5- dione
Smiles: Cc1cccc(c1)N1C(=O)CC(C1=O)c1cn(c2c1cccc2)Cc1ccccc1

STK545521
Synonyms: 2- {[6- (1,3- benzodioxol- 5- yl)- 3- cyanopyridin- 2- yl]sulfanyl}- N- (3- chlorobenzyl)acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)NCc1cccc(c1)Cl)c1ccc2c(c1)OCO2

STK545522
Synonyms: N- {[4- (carbamimidoylsulfamoyl)phenyl]carbamothioyl}pyridine- 4- carboxamide
Smiles: S=C(Nc1ccc(cc1)S(=O)(=O)NC(=N)N)NC(=O)c1ccncc1

STK545523
Synonyms: 2- [(3- fluorobenzyl)sulfanyl]- 3- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(SCc2cccc(c2)F)nc2c(c1=O)cccc2

STK545525
Synonyms: 3- (hexylsulfanyl)- 5- phenyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCCCCSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1

STK545526
Synonyms: 1- (4- fluorophenyl)- 3- hydroxy- 5- (2- methoxyphenyl)- 4- (phenylcarbonyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: COc1ccccc1C1C(=C(C(=O)N1c1ccc(cc1)F)O)C(=O)c1ccccc1

STK545527
Synonyms: 2- [(4- oxo- 3- propyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N,N- dipropylacetamide
Smiles: CCCn1c(SCC(=O)N(CCC)CCC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545528
Synonyms: N- (4- phenylbutan- 2- yl)- 2- [(2- phenyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl)sulfanyl]acetamide
Smiles: CC(NC(=O)CSc1nc(nc2c1c1CCCCc1s2)c1ccccc1)CCc1ccccc1

STK545529
Synonyms: 2- (4- chlorophenyl)- 3- {6- [2- (propan- 2- yloxy)phenoxy]hexyl}quinazolin- 4(3H)- one
Smiles: CC(Oc1ccccc1OCCCCCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)Cl)C

STK545530
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- [(4- chlorobenzyl)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/c1cccc(c1)OCc1ccc(cc1)Cl

STK545531
Synonyms: ethyl(3Z)- 3- (2- {[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- methyl- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)- 2- oxo- 2,3- dihydro- 1H- indole- 1- carboxylate
Smiles: CCOC(=O)N1C(=O)/C(=N\NC(=O)c2nnn(c2C)c2nonc2N)/c2c1cccc2

STK545532
Synonyms: 2- {[(2E)- 3- chlorobut- 2- en- 1- yl]sulfanyl}- 6- iodo- 3- (3- methylphenyl)quinazolin- 4(3H)- one
Smiles: C/C(=C\CSc1nc2ccc(cc2c(=O)n1c1cccc(c1)C)I)/Cl

STK545533
Synonyms: N- (3- cyano- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl)- 2- {[3- cyano- 4- (4- fluorophenyl)- 6- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nc(cc1c1ccc(cc1)F)c1cccs1

STK545536
Synonyms: 3- (4- benzylpiperazin- 1- yl)- 4- chloro- 1- (3- chlorophenyl)- 1H- pyrrole- 2,5- dione
Smiles: Clc1cccc(c1)N1C(=O)C(=C(C1=O)N1CCN(CC1)Cc1ccccc1)Cl

STK545538
Synonyms: 1- (4- acetylphenyl)- 5- (2- fluorophenyl)- 3- hydroxy- 4- (phenylcarbonyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CC(=O)c1ccc(cc1)N1C(=O)C(=C(C1c1ccccc1F)C(=O)c1ccccc1)O

STK545539
Synonyms: 2- {[6- iodo- 3- (4- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)C)I

STK545541
Synonyms: N'- [(E)- (3- bromo- 4- hydroxy- 5- methoxyphenyl)methylidene]- 1H- pyrazole- 5- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2[nH]ncc2)cc(c1O)Br

STK545542
Synonyms: N- (3- cyano- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl)- 2- [(3- cyano- 6- ethyl- 5- methylpyridin- 2- yl)sulfanyl]acetamide
Smiles: N#Cc1cc(C)c(nc1SCC(=O)Nc1sc2c(c1C#N)CCC2)CC

STK545543
Synonyms: 8- chloro- 4- (pyrrolidin- 1- yl)- 5H- pyrimido[5,4- b]indole
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCCC1

STK545544
Synonyms: methyl5- chloro- 3- {[3- (3- methylpiperidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCC(C1)C)cc(cc2)Cl

STK545545
Synonyms: N- {2- [2- amino- 3- (phenylsulfonyl)- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl]ethyl}- 2,4- dichlorobenzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccccc1

STK545546
Synonyms: 3- amino- 6- ethyl- N- [1- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)ethyl]- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: CCC1CCc2c(C1)cc1c(n2)sc(c1N)C(=O)NC(C12CC3CC(C2)CC(C1)C3)C

STK545547
Synonyms: N- (3- cyano- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl)- 2- {[3- cyano- 6- (thiophen- 2- yl)- 4- (thiophen- 3- yl)pyridin- 2- yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nc(cc1c1ccsc1)c1cccs1

STK545548
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1

STK545549
Synonyms: (5Z)- 3- (3,5- dichlorophenyl)- 5- (pyridin- 3- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Clc1cc(Cl)cc(c1)N1C(=S)S/C(=C\c2cccnc2)/C1=O

STK545550
Synonyms: (4bS,7aR,8S)- 6- (4- chlorophenyl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccccc2)N=CC=C1

STK545551
Synonyms: 7- {4- [(4- acetylphenyl)carbamothioyl]piperazin- 1- yl}- 1- cyclopropyl- 6- fluoro- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: S=C(N1CCN(CC1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)C1CC1)Nc1ccc(cc1)C(=O)C

STK545552
Synonyms: [3- (7- chloro- 2,3- dihydro[1,4]dioxino[2,3- g]quinolin- 8- yl)- 5- phenyl- 4,5- dihydro- 1H- pyrazol- 1- yl](phenyl)methanone
Smiles: Clc1nc2cc3OCCOc3cc2cc1C1=NN(C(C1)c1ccccc1)C(=O)c1ccccc1

STK545554
Synonyms: N- (4- methoxyphenyl)- 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: COc1ccc(cc1)NC(=O)CSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1

STK545557
Synonyms: 11- (3- bromophenyl)- N- (2,4- dichlorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Brc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1Cl)Cl)c1ccccc1

STK545560
Synonyms: 6- (benzylsulfanyl)- 5- cyano- 4- (furan- 2- yl)- 2- methyl- N- (2- methylphenyl)- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCc2ccccc2)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1C)C

STK545562
Synonyms: 3,5- bis(4- bromophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Brc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Br)c1ccccc1

STK545563
Synonyms: N- {2- [2- amino- 3- (phenylsulfonyl)- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl]ethyl}- 4- methylbenzamide
Smiles: Cc1ccc(cc1)C(=O)NCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccccc1

STK545564
Synonyms: 3,3'- (benzene- 1,4- diyldimethanediyl)bis{5- [(2,4- dimethylphenyl)amino]- 1,3- thiazolidine- 2,4- dione}
Smiles: Cc1ccc(c(c1)C)NC1SC(=O)N(C1=O)Cc1ccc(cc1)CN1C(=O)SC(C1=O)Nc1ccc(cc1C)C

STK545567
Synonyms: butyl2- amino- 1- [3- (trifluoromethyl)phenyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCOC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)C(F)(F)F

STK545569
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- (4- ethoxyphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)OCC)C

STK545570
Synonyms: N- ({4- [(6- methoxypyrimidin- 4- yl)sulfamoyl]phenyl}carbamothioyl)furan- 2- carboxamide
Smiles: COc1ncnc(c1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccco1

STK545572
Synonyms: 7- [4- (diethylamino)phenyl]- N,N- diethyl- 7H- chromeno[2',3':4,5]pyrimido[1,6- a]benzimidazol- 3- amine
Smiles: CCN(c1ccc(cc1)C1N=C2Oc3cc(ccc3C=C2c2n1c1ccccc1n2)N(CC)CC)CC

STK545573
Synonyms: ethyl4- {[11- (3,4- dimethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)OC)OC)c(nn1c1ccccc1)C

STK545574
Synonyms: 2- {[6- amino- 3,5- dicyano- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- (3- bromo- 4- methylphenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(c(c2)Br)C)nc(c(c1c1cccs1)C#N)N

STK545575
Synonyms: 4- [(diphenylacetyl)oxy]benzoicacid
Smiles: O=C(C(c1ccccc1)c1ccccc1)Oc1ccc(cc1)C(=O)O

STK545576
Synonyms: (5E)- 2- [4- (3- chlorophenyl)piperazin- 1- yl]- 5- {4- [(4- nitrobenzyl)oxy]benzylidene}- 1,3- thiazol- 4(5H)- one
Smiles: Clc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(cc2)OCc2ccc(cc2)[N+](=O)[O-])/S1

STK545578
Synonyms: 1- (9H- carbazol- 9- yl)- 3- {4- [(4- chlorophenyl)(phenyl)methyl]piperazin- 1- yl}propan- 2- ol
Smiles: Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)CC(Cn1c2ccccc2c2c1cccc2)O

STK545580
Synonyms: 2- (2- amino- 3- cyano- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl)ethyl4- nitrobenzoate
Smiles: N#Cc1c(N)n(c2c1nc1ccccc1n2)CCOC(=O)c1ccc(cc1)[N+](=O)[O-]

STK545581
Synonyms: [3- (3,4- dimethylpyridinium- 1- yl)- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl](thiophen- 2- ylsulfonyl)azanide
Smiles: O=C1C(=C([N-]S(=O)(=O)c2cccs2)C(=O)c2c1cccc2)[n+]1ccc(c(c1)C)C

STK545582
Synonyms: N- (6- nitro- 4- phenylquinazolin- 2- yl)alanine
Smiles: OC(=O)C(Nc1nc2ccc(cc2c(n1)c1ccccc1)[N+](=O)[O-])C

STK545584
Synonyms: 4- (phenylcarbonyl)phenyl(6aS,6bR,9aS,10R)- 8- (4- methylphenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxylate
Smiles: O=C([C@H]1[C@@H]2[C@H]([C@H]3N1c1ccccc1C=C3)C(=O)N(C2=O)c1ccc(cc1)C)Oc1ccc(cc1)C(=O)c1ccccc1

STK545585
Synonyms: methyl3,3,3- trifluoro- 2- [(4- methyl- 1,3- benzothiazol- 2- yl)amino]- N- [(4- methylphenyl)carbonyl]alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1ccc(cc1)C)Nc1nc2c(s1)cccc2C

STK545587
Synonyms: 2- amino- 1- cyclohexyl- N- pentyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)C1CCCCC1

STK545588
Synonyms: ethyl2- {[({5- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)acetyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nnc(o2)CSc2nc3c(s2)cccc3)sc2c1CCCC2

STK545590
Synonyms: prop- 2- en- 1- yl2- amino- 1- (3- hydroxyphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: C=CCOC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)O

STK545591
Synonyms: 2- phenoxy- 6- phenylpyrimidine- 4- carboxamide
Smiles: NC(=O)c1nc(Oc2ccccc2)nc(c1)c1ccccc1

STK545592
Synonyms: 4- {(1,3- benzodioxol- 5- ylmethyl)[1- (4- fluorophenyl)- 2,5- dioxopyrrolidin- 3- yl]amino}- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)N(C1CC(=O)N(C1=O)c1ccc(cc1)F)Cc1ccc2c(c1)OCO2

STK545593
Synonyms: methylcyano(3- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}quinoxalin- 2- yl)acetate
Smiles: N#CC(c1nc2ccccc2nc1N1CCN(CC1)c1cccc(c1)C(F)(F)F)C(=O)OC

STK545594
Synonyms: N- (2,4- dimethylphenyl)- 2- {[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK545595
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1E)- 1- {4- [(2- chlorobenzyl)oxy]phenyl}ethylidene]- 5- phenyl- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: C/C(=N\NC(=O)c1nnn(c1c1ccccc1)c1nonc1N)/c1ccc(cc1)OCc1ccccc1Cl

STK545596
Synonyms: N- (2- methylphenyl)- 2- [(4- oxo- 3- propyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCCn1c(SCC(=O)Nc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545597
Synonyms: 2- {[6,6- dimethyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]amino}ethanol
Smiles: OCCNc1nc(SC)nc2c1c1CC(C)(C)OCc1s2

STK545598
Synonyms: (6aS,6bR,9aS,10R)- 10- [(3- bromo- 4- methoxyphenyl)carbonyl]- 8- (naphthalen- 2- yl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc3c(c1)cccc3)C=Cc1c2cccc1

STK545599
Synonyms: N- (3- cyano- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)- 2- {[3- cyano- 6- (thiophen- 2- yl)- 4- (trifluoromethyl)pyridin- 2- yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc(cc1C(F)(F)F)c1cccs1

STK545601
Synonyms: 2- amino- 1- (3- chloro- 4- methoxyphenyl)- N- (2- methoxyethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)OC

STK545603
Synonyms: 7- tert- butyl- 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 3- (3- methylphenyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Cc1cccc(c1)n1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)C

STK545604
Synonyms: methylN- [(2,4- dichlorophenyl)carbonyl]- 3,3,3- trifluoro- 2- (2- phenylhydrazinyl)alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1ccc(cc1Cl)Cl)NNc1ccccc1

STK545605
Synonyms: 1- (furan- 2- ylmethyl)- 2- imino- N- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: COCCCNC(=O)c1cc2c(n(c1=N)Cc1ccco1)nc1n(c2=O)cccc1C

STK545606
Synonyms: ethyl3- {4- cyano- 1- [4- (diphenylmethyl)piperazin- 1- yl]- 3- methylpyrido[1,2- a]benzimidazol- 2- yl}propanoate
Smiles: CCOC(=O)CCc1c(C)c(C#N)c2n(c1N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1n2

STK545607
Synonyms: N'- {[1,3- bis(2- methoxyphenyl)- 4,6- dioxo- 2- thioxotetrahydropyrimidin- 5(2H)- ylidene]methyl}benzohydrazide
Smiles: COc1ccccc1N1C(=O)/C(=C/NNC(=O)c2ccccc2)/C(=O)N(C1=S)c1ccccc1OC

STK545608
Synonyms: 8- (4- methoxyphenyl)- 9- [(3- methylbutyl)sulfanyl]- 5,8- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7(6H)- one
Smiles: COc1ccc(cc1)n1c(SCCC(C)C)nc2c(c1=O)c1CCc3c(c1s2)cccc3

STK545610
Synonyms: 5- ethyl- 10,10- dimethyl- 3- (methylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCc1nc2sc3c(c2c2n1c(SC)nn2)CC(OC3)(C)C

STK545612
Synonyms: ethyl5- methoxy- 3- {[(2,4,5- trimethylphenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cc(C)c(cc1C)C)cc(cc2)OC

STK545613
Synonyms: methyl5- chloro- 3- {[(2- fluorophenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccccc1F)cc(cc2)Cl

STK545615
Synonyms: N'- [(1E,2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]- 2- {[5- (4- methoxyphenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)N/N=C/C=C/c1ccco1

STK545616
Synonyms: 11- (4- tert- butylphenyl)- N- (2,5- dimethylphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1ccc(c(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)(C)C)c(nn1c1ccccc1)C)C

STK545618
Synonyms: ethyl4- {[10- methyl- 8- phenyl- 11- (3,4,5- trimethoxyphenyl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cc(OC)c(c(c2)OC)OC)c(nn1c1ccccc1)C

STK545619
Synonyms: 3- [3- (4- chloro- 3- ethylphenoxy)propyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: CCc1cc(OCCCn2c(nc3c(c2=O)cccc3)c2ccc(cc2)OC)ccc1Cl

STK545620
Synonyms: N- (3- fluorophenyl)- 2- ({5- [(naphthalen- 1- ylmethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nnc(s1)SCc1cccc2c1cccc2

STK545622
Synonyms: 4- {6- [(3,5- dimethylphenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}benzene- 1,2- diol
Smiles: Cc1cc(cc(c1)C)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)O)O)c(nn1c1ccccc1)C

STK545623
Synonyms: {4- [2- hydroxy- 3- (4- iodophenoxy)propyl]piperazin- 1- yl}(phenyl)methanone
Smiles: OC(CN1CCN(CC1)C(=O)c1ccccc1)COc1ccc(cc1)I

STK545624
Synonyms: 2- (4- tert- butylphenyl)- N- [3- (trifluoromethyl)phenyl]quinazolin- 4- amine
Smiles: CC(c1ccc(cc1)c1nc(Nc2cccc(c2)C(F)(F)F)c2c(n1)cccc2)(C)C

STK545626
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(phenylamino)methyl]- N'- [(E)- phenylmethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CNc1ccccc1)c1nonc1N)N/N=C/c1ccccc1

STK545627
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [3- bromo- 5- methoxy- 4- (naphthalen- 1- ylmethoxy)phenyl]methylidene}- 5- methyl- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2C)c2nonc2N)cc(c1OCc1cccc2c1cccc2)Br

STK545628
Synonyms: 11- (3- methylbutyl)- 3- (2- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CC(CCn1c2ncn(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1)C

STK545629
Synonyms: methyl2- amino- 1- (1,3- benzodioxol- 5- yl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc2c(c1)OCO2

STK545631
Synonyms: 11- (4- tert- butylphenyl)- N- (2,4- dimethylphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1ccc(c(c1)C)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(cc1)C(C)(C)C)C)c1ccccc1

STK545632
Synonyms: 2- [(4- amino- 7- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- methyl- N- phenylacetamide
Smiles: CC1CCc2c(C1)sc1c2c(N)nc(n1)SCC(=O)N(c1ccccc1)C

STK545633
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)Cc1ccccc1)c([nH]2)C

STK545634
Synonyms: 4- [(4- chlorophenyl)carbonyl]- 5- [4- (dimethylamino)phenyl]- 3- hydroxy- 1- (prop- 2- en- 1- yl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: C=CCN1C(c2ccc(cc2)N(C)C)C(=C(C1=O)O)C(=O)c1ccc(cc1)Cl

STK545637
Synonyms: diethyl[(benzylamino)(4- bromophenyl)methyl]phosphonate
Smiles: CCOP(=O)(C(c1ccc(cc1)Br)NCc1ccccc1)OCC

STK545639
Synonyms: 8- bromo- N- (4- methoxybenzyl)- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: COc1ccc(cc1)CNc1ncnc2c1[nH]c1c2cc(cc1)Br

STK545640
Synonyms: 4,4'- [(9- oxo- 9H- fluorene- 2,7- diyl)disulfonyl]dipiperazine- 1- carbaldehyde
Smiles: O=CN1CCN(CC1)S(=O)(=O)c1ccc2c(c1)C(=O)c1c2ccc(c1)S(=O)(=O)N1CCN(CC1)C=O

STK545641
Synonyms: (2E)- 3- (3,4- dimethoxyphenyl)- N- ({4- [(6- methoxypyrimidin- 4- yl)sulfamoyl]phenyl}carbamothioyl)prop- 2- enamide
Smiles: COc1ncnc(c1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(c(c1)OC)OC

STK545642
Synonyms: 2'- (biphenyl- 4- yl)- 9'- bromo- 2,2- dimethyl- 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)c1ccc(cc1)c1ccccc1

STK545643
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (3,4- dichlorophenyl)methylidene]- 5- methyl- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1C)c1nonc1N)N/N=C/c1ccc(c(c1)Cl)Cl

STK545644
Synonyms: ethyl2- imino- 10- methyl- 1- (4- methylbenzyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(c1=N)Cc1ccc(cc1)C)nc1n(c2=O)cccc1C

STK545646
Synonyms: dipropan- 2- yl3- methyl- 5- {[(pyridin- 4- ylcarbonyl)carbamothioyl]amino}thiophene- 2,4- dicarboxylate
Smiles: CC(OC(=O)c1c(NC(=S)NC(=O)c2ccncc2)sc(c1C)C(=O)OC(C)C)C

STK545647
Synonyms: N'- [(E)- (6- bromo- 1,3- benzodioxol- 5- yl)methylidene]- 3- methyl- 1- phenyl- 1H- thieno[2,3- c]pyrazole- 5- carbohydrazide
Smiles: O=C(c1cc2c(s1)n(nc2C)c1ccccc1)N/N=C/c1cc2OCOc2cc1Br

STK545649
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {4- [(3- chlorobenzyl)oxy]- 3- ethoxyphenyl}methylidene]- 5- (morpholin- 4- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CN2CCOCC2)c2nonc2N)ccc1OCc1cccc(c1)Cl

STK545650
Synonyms: 3- fluoro- N- {[4- (1,3- thiazol- 2- ylsulfamoyl)phenyl]carbamothioyl}benzamide
Smiles: S=C(NC(=O)c1cccc(c1)F)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

STK545652
Synonyms: 3- methyl- 1- (2- methyl- 1H- imidazol- 1- yl)- 2- (2- methylprop- 2- en- 1- yl)pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: N#Cc1c(C)c(CC(=C)C)c(n2c1nc1c2cccc1)n1ccnc1C

STK545654
Synonyms: 3- methyl- 1- (4- methylpiperidin- 1- yl)- 2- pentylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCCCCc1c(C)c(C#N)c2n(c1N1CCC(CC1)C)c1ccccc1n2

STK545655
Synonyms: N- (2,4- dimethoxyphenyl)- 10- methyl- 11- (3- nitrophenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccc(c(c1)OC)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)[N+](=O)[O-])c(nn1c1ccccc1)C

STK545656
Synonyms: N- [4- ({(E)- [1- (2- chlorophenyl)- 4,6- dioxo- 2- thioxotetrahydropyrimidin- 5(2H)- ylidene]methyl}amino)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1Cl

STK545657
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- ethoxy- 4- [(2- fluorobenzyl)oxy]phenyl}methylidene]- 5- phenyl- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2c2ccccc2)c2nonc2N)ccc1OCc1ccccc1F

STK545659
Synonyms: 6- bromo- 2- (3,4- dimethoxyphenyl)- 4- phenyl- 1,4- dihydro- 2H- 3,1- benzoxazine
Smiles: COc1cc(ccc1OC)C1Nc2ccc(cc2C(O1)c1ccccc1)Br

STK545660
Synonyms: N,N- diethyl- 2- [(2- ethyl- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl)sulfanyl]acetamide
Smiles: CCN(C(=O)CSc1nc(CC)nc2c1c1CC(C)(C)OCc1s2)CC

STK545661
Synonyms: [(4- bromophenyl)sulfonyl][3- (3,4- dimethylpyridinium- 1- yl)- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl]azanide
Smiles: Brc1ccc(cc1)S(=O)(=O)[N-]C1=C([n+]2ccc(c(c2)C)C)C(=O)c2c(C1=O)cccc2

STK545662
Synonyms: 1- (4- bromophenyl)- 2- [(2- ethyl- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl)sulfanyl]ethanone
Smiles: CCc1nc(SCC(=O)c2ccc(cc2)Br)c2c(n1)sc1c2CC(OC1)(C)C

STK545663
Synonyms: 3,3- bis[(4- chlorobenzyl)sulfanyl]- 2- cyanoprop- 2- enamide
Smiles: N#C/C(=C(\SCc1ccc(cc1)Cl)/SCc1ccc(cc1)Cl)/C(=O)N

STK545664
Synonyms: 2- imino- 1- methyl- 5- oxo- N- (tetrahydrofuran- 2- ylmethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: O=C(c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1)NCC1CCCO1

STK545665
Synonyms: 3- {[(E)- (5- hydroxy- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]amino}- 2- (phenoxymethyl)quinazolin- 4(3H)- one
Smiles: Cc1nn(c(c1/C=N/n1c(COc2ccccc2)nc2c(c1=O)cccc2)O)c1ccccc1

STK545667
Synonyms: 2- {[6- amino- 3,5- dicyano- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- [2- (3- chlorophenyl)ethyl]acetamide
Smiles: N#Cc1c(SCC(=O)NCCc2cccc(c2)Cl)nc(c(c1c1cccs1)C#N)N

STK545668
Synonyms: 3- bromo- N- [2- (4- phenylpiperazin- 1- yl)ethyl]benzamide
Smiles: Brc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1

STK545671
Synonyms: 1- [(4- tert- butylbenzyl)oxy]- 3- (4- methoxyphenyl)quinoxalin- 2(1H)- one4- oxide
Smiles: COc1ccc(cc1)c1[n+]([O-])c2ccccc2n(c1=O)OCc1ccc(cc1)C(C)(C)C

STK545672
Synonyms: 2- {[6- amino- 3,5- dicyano- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- (4- bromophenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)Br)nc(c(c1c1cccs1)C#N)N

STK545673
Synonyms: methyl2- {[(pyridin- 3- ylcarbonyl)carbamothioyl]amino}- 4,5,6,7,8,9- hexahydrocycloocta[b]thiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=S)NC(=O)c2cccnc2)sc2c1CCCCCC2

STK545674
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 11- (2- methoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccccc1C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(c(c1)Cl)OC)nc1c2cccc1

STK545675
Synonyms: ethyl{2- [(2E)- 2- benzylidenehydrazinyl]- 1,3- thiazol- 4- yl}acetate
Smiles: CCOC(=O)Cc1csc(n1)N/N=C/c1ccccc1

STK545677
Synonyms: 7- tert- butyl- 3- (3- methylphenyl)- 2- (propylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCCSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCC(C3)C(C)(C)C

STK545678
Synonyms: N- (3- chloro- 4- fluorophenyl)- 10- methyl- 8- phenyl- 11- (thiophen- 2- yl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1nn(c2c1C(c1cccs1)n1c(=N2)c(Nc2ccc(c(c2)Cl)F)nc2c1cccc2)c1ccccc1

STK545679
Synonyms: 1- butyl- 4- [(4- chlorophenyl)carbonyl]- 3- hydroxy- 5- phenyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CCCCN1C(=O)C(=C(C1c1ccccc1)C(=O)c1ccc(cc1)Cl)O

STK545680
Synonyms: N- {2- [tert- butyl(methyl)amino]ethyl}- N- methyl- 2,4,6- tri(propan- 2- yl)benzenesulfonamide
Smiles: CN(C(C)(C)C)CCN(S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C

STK545681
Synonyms: N- (2,4- dimethoxyphenyl)- 10- methyl- 8- phenyl- 11- (thiophen- 2- yl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccc(c(c1)OC)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccs2)c(nn1c1ccccc1)C

STK545682
Synonyms: 3- nitro- 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)c1cccc(c1)[N+](=O)[O-]

STK545684
Synonyms: 11- (furan- 2- yl)- 3- (4- methylphenyl)- 10- [(2E)- 3- phenylprop- 2- enoyl]- 2,3,4,5,10,11- hexahydro- 1H- dibenzo[b,e][1,4]diazepin- 1- one
Smiles: Cc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccco1)C(=O)/C=C/c1ccccc1

STK545685
Synonyms: 4- (4- benzylpiperazin- 1- yl)- 8- chloro- 5H- pyrimido[5,4- b]indole
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)Cc1ccccc1

STK545686
Synonyms: 2- amino- 6- {[2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- 2- oxoethyl]sulfanyl}pyridine- 3,5- dicarbonitrile
Smiles: N#Cc1cc(C#N)c(nc1SCC(=O)N1CCc2c(C1)cc(c(c2)OC)OC)N

STK545688
Synonyms: (8S,8aR,11aS)- 8- [(4- methoxyphenyl)carbonyl]- 10- (3- nitrophenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])cccc3

STK545689
Synonyms: propan- 2- yl2- amino- 1- (4- methoxybenzyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COc1ccc(cc1)Cn1c2nc3ccccc3nc2c(c1N)C(=O)OC(C)C

STK545691
Synonyms: 3- {4- [(5E)- 5- (4- butoxybenzylidene)- 4- oxo- 4,5- dihydro- 1,3- thiazol- 2- yl]piperazin- 1- yl}propanenitrile
Smiles: CCCCOc1ccc(cc1)/C=C\1/SC(=NC1=O)N1CCN(CC1)CCC#N

STK545692
Synonyms: 3- [5- (2- bromophenoxy)pentyl]- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1ccccc1Br

STK545693
Synonyms: 4- fluoro- N- {3- [(4- methylphenyl)sulfonyl]- 1- (tetrahydrofuran- 2- ylmethyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccc(cc2)F)n(c2c1nc1ccccc1n2)CC1CCCO1

STK545694
Synonyms: 3- [2- (2H- benzotriazol- 2- yl)- 4- methylphenoxy]benzene- 1,2- dicarbonitrile
Smiles: N#Cc1c(cccc1C#N)Oc1ccc(cc1n1nc2c(n1)cccc2)C

STK545695
Synonyms: N- (3- cyano- 1- phenyl- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl)- 4- nitrobenzenesulfonamide
Smiles: N#Cc1c(NS(=O)(=O)c2ccc(cc2)[N+](=O)[O-])n(c2c1nc1ccccc1n2)c1ccccc1

STK545696
Synonyms: 1,3- dicyclohexyl- 5- [(1- methyl- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1N(C2CCCCC2)C(=O)C(=Cc2cn(c3c2cccc3)C)C(=O)N1C1CCCCC1

STK545697
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- (4- chlorobenzyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc(cc1)Cl)C

STK545698
Synonyms: 5- (5,10- diiodo- 1H- phenanthro[9,10- d]imidazol- 2- yl)- 2- methoxyphenol
Smiles: COc1ccc(cc1O)c1nc2c([nH]1)c1cc(I)ccc1c1c2cc(I)cc1

STK545699
Synonyms: 2- imino- 10- [4- (prop- 2- en- 1- yloxy)phenyl]tetrahydro- 8a,3- (epoxymethano)chromene- 3,4,4(2H,4aH)- tricarbonitrile
Smiles: C=CCOc1ccc(cc1)C1OC23CCCCC3C(C1(C#N)C(=N)O2)(C#N)C#N

STK545700
Synonyms: prop- 2- en- 1- yl2- amino- 1- pentyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCCn1c2nc3ccccc3nc2c(c1N)C(=O)OCC=C

STK545701
Synonyms: 6,6- dimethyl- 4- (methylsulfanyl)- 2- phenyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CSc1nc(nc2c1c1CC(C)(C)OCc1s2)c1ccccc1

STK545702
Synonyms: 4- [(8S,8aR,11aS)- 8- [(3- nitrophenyl)carbonyl]- 9,11- dioxo- 8a,9,11a,11b- tetrahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinolin- 10(11H)- yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2cccc(c2)[N+](=O)[O-])C=Cc2c1cccc2

STK545703
Synonyms: methyl4- {6- [(3- chloro- 4- fluorophenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(c(c1)Cl)F)nc1c2cccc1

STK545706
Synonyms: 1- [bis(2- hydroxyethyl)amino]- 3- (naphthalen- 2- yloxy)propan- 2- ol
Smiles: OCCN(CC(COc1ccc2c(c1)cccc2)O)CCO

STK545707
Synonyms: 2- [(3- butyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N,N- diethylacetamide
Smiles: CCCCn1c(SCC(=O)N(CC)CC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545708
Synonyms: 5- (2- fluorophenyl)- 3- hydroxy- 4- [(4- methylphenyl)carbonyl]- 1- [3- (trifluoromethyl)phenyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Cc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1F)c1cccc(c1)C(F)(F)F

STK545709
Synonyms: N- (3- cyano- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl)- 2- {[3- cyano- 6- (4- methoxyphenyl)pyridin- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1ccc(c(n1)SCC(=O)Nc1sc2c(c1C#N)CCC2)C#N

STK545710
Synonyms: 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- [4- (2- methoxyphenyl)piperazin- 1- yl]ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)c1ccccc1OC)c([nH]2)C

STK545711
Synonyms: diethyl4- [(4- bromophenyl)amino]quinoline- 3,6- dicarboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)Br)cc(cc2)C(=O)OCC

STK545713
Synonyms: ethyl8- chloro- 4- {[3- (morpholin- 4- yl)propyl]amino}quinoline- 3- carboxylate
Smiles: CCOC(=O)c1cnc2c(c1NCCCN1CCOCC1)cccc2Cl

STK545715
Synonyms: 5- (4- bromophenyl)- 2,3- bis(4- methoxyphenyl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Br)c1ccc(cc1)OC

STK545717
Synonyms: ethyl[(2- ethyl- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc(CC)nc2c1c1CC(C)(C)OCc1s2

STK545718
Synonyms: (9E)- 9- (2,4- dichlorobenzylidene)- 5- (2,4- dichlorophenyl)- 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: Clc1ccc(c(c1)Cl)C1C2=C(N=c3n1c(cs3)c1ccc3c(c1)OCCO3)/C(=C/c1ccc(cc1Cl)Cl)/CCC2

STK545719
Synonyms: 3- [2- (2- chloro- 4,6- dimethylphenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1c(C)cc(cc1Cl)C

STK545720
Synonyms: 2- {[8- (2- methylprop- 2- en- 1- yl)- 7- oxo- 5,6,7,8- tetrahydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 9- yl]sulfanyl}acetamide
Smiles: CC(=C)Cn1c(SCC(=O)N)nc2c(c1=O)c1CCc3c(c1s2)cccc3

STK545722
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(3- bromo- 4- methoxyphenyl)carbonyl]- 2'- [(4- fluorophenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1ccc(cc1Br)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)F)C(=O)Nc1c2cccc1)cccc3

STK545723
Synonyms: methyl(1R,2R,3S,3aS)- 1- [(3- bromo- 4- methoxyphenyl)carbonyl]- 3- cyano- 2- (3,4- dimethoxyphenyl)- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinoline- 3- carboxylate
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2c3ccccc3C=C[C@H]2[C@@]([C@H]1c1ccc(c(c1)OC)OC)(C#N)C(=O)OC

STK545724
Synonyms: 3- [3- (2- tert- butylphenoxy)propyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccccc1C(C)(C)C

STK545725
Synonyms: methyl(1R,2R,3S,3aS)- 1- [(3- bromo- 4- methoxyphenyl)carbonyl]- 3- cyano- 2- phenyl- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinoline- 3- carboxylate
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2c3ccccc3C=C[C@H]2[C@@]([C@H]1c1ccccc1)(C#N)C(=O)OC

STK545727
Synonyms: 7- ethoxy- 1,2,3,4- tetrahydrophenazine5,10- dioxide
Smiles: CCOc1ccc2c(c1)[n+]([O-])c1c([n+]2[O-])CCCC1

STK545728
Synonyms: N'~1~- [(3E)- 5- chloro- 2- oxo- 1- (propan- 2- yl)- 1,2- dihydro- 3H- indol- 3- ylidene]- N'~7~- [(3Z)- 5- chloro- 2- oxo- 1- (propan- 2- yl)- 1,2- dihydro- 3H- indol- 3- ylidene]heptanedihydrazide
Smiles: CC(N1C(=O)/C(=N/NC(=O)CCCCCC(=O)N/N=C/2\C(=O)N(c3c2cc(Cl)cc3)C(C)C)/c2c1ccc(c2)Cl)C

STK545730
Synonyms: (2E)- 3- {1- [2- (2- fluorophenoxy)ethyl]- 1H- indol- 3- yl}- 2- (pyrrolidin- 1- ylcarbonyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cn(c2c1cccc2)CCOc1ccccc1F)/C(=O)N1CCCC1

STK545733
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- bromo- 4- [(3- chlorobenzyl)oxy]- 5- methoxyphenyl}methylidene]- 5- (2,3- dihydro- 1H- indol- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CN2CCc3c2cccc3)c2nonc2N)cc(c1OCc1cccc(c1)Cl)Br

STK545734
Synonyms: N- (2,4- dimethylphenyl)- 10- methyl- 8- phenyl- 11- (thiophen- 2- yl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1ccc(c(c1)C)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccs1)C)c1ccccc1

STK545735
Synonyms: 2- cyano- 2- {3- [4- (2- methoxyphenyl)piperazin- 1- yl]quinoxalin- 2- yl}- N- (2- phenylethyl)acetamide
Smiles: N#CC(c1nc2ccccc2nc1N1CCN(CC1)c1ccccc1OC)C(=O)NCCc1ccccc1

STK545738
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1E)- 1- (4- cyclohexylphenyl)ethylidene]- 5- phenyl- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: C/C(=N\NC(=O)c1nnn(c1c1ccccc1)c1nonc1N)/c1ccc(cc1)C1CCCCC1

STK545739
Synonyms: 2- {[3- cyano- 4- (2- fluorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- [4- methyl- 3- (morpholin- 4- ylsulfonyl)phenyl]acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)S(=O)(=O)N2CCOCC2)C)NC(=O)CC1c1ccccc1F

STK545740
Synonyms: 4- [(1,3- benzodioxol- 5- ylmethyl)sulfanyl]- 2- ethyl- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCc1nc(SCc2ccc3c(c2)OCO3)c2c(n1)sc1c2CC(OC1)(C)C

STK545742
Synonyms: (1'R,2'R)- 2'- (3- nitrophenyl)- 1'- (phenylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: O=C([C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)c1ccccc1

STK545743
Synonyms: 2- (4- chlorophenyl)- 3- {2- [2- (2,5- dichlorophenoxy)ethoxy]ethyl}quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1cc(Cl)ccc1Cl

STK545744
Synonyms: 2- (4- chlorophenyl)- N- (2- {(2Z)- 2- [1- (furan- 2- yl)ethylidene]hydrazinyl}- 2- oxoethyl)acetamide(non- preferredname)
Smiles: O=C(N/N=C(\c1ccco1)/C)CNC(=O)Cc1ccc(cc1)Cl

STK545745
Synonyms: methyl2- (acetylamino)- 3,3,3- trifluoro- N- (4- fluoro- 1,3- benzothiazol- 2- yl)alaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1sc2c(n1)c(F)ccc2)NC(=O)C

STK545747
Synonyms: 11- (4- tert- butylphenyl)- N- (3- chlorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Clc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)(C)C)c(nn1c1ccccc1)C

STK545748
Synonyms: N- (2,4- dimethylphenyl)- 2- {[3- (4- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3

STK545749
Synonyms: (6aS,6bR,9aS,10R)- 10- [(3- bromo- 4- methoxyphenyl)carbonyl]- 8- (4- bromophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)Br)C=Cc1c2cccc1

STK545752
Synonyms: 3- amino- N- (3- chlorobenzyl)- 6- ethyl- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: CCC1CCc2c(C1)cc1c(n2)sc(c1N)C(=O)NCc1cccc(c1)Cl

STK545753
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- bromo- 5- ethoxy- 4- [(4- fluorobenzyl)oxy]phenyl}methylidene]- 5- (piperidin- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CN2CCCCC2)c2nonc2N)cc(c1OCc1ccc(cc1)F)Br

STK545754
Synonyms: methyl2- amino- 1- (3- chloro- 4- fluorophenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)F

STK545756
Synonyms: (8S,8aR,11aS)- 8- [(4- chlorophenyl)carbonyl]- 10- (4- nitrophenyl)- 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]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc(cc1)[N+](=O)[O-]

STK545757
Synonyms: (8S,8aR,11aS,11bS)- 8- [(4- bromophenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C1NC(=O)[C@H]2[C@@H]1[C@@H](C(=O)c1ccc(cc1)Br)N1[C@@H]2c2ccccc2C=C1

STK545758
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (morpholin- 4- ylmethyl)- N'- [(E)- pyridin- 4- ylmethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CN1CCOCC1)c1nonc1N)N/N=C/c1ccncc1

STK545759
Synonyms: 4- chloro- N- (furan- 2- ylmethyl)- N- [1- (4- methoxyphenyl)- 2,5- dioxopyrrolidin- 3- yl]benzamide
Smiles: COc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)c1ccc(cc1)Cl)Cc1ccco1

STK545760
Synonyms: 3- [3- (4- bromophenoxy)propyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccc(cc1)Br

STK545761
Synonyms: 1- butyl- 5- (4- fluorophenyl)- 3- hydroxy- 4- (phenylcarbonyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CCCCN1C(c2ccc(cc2)F)C(=C(C1=O)O)C(=O)c1ccccc1

STK545762
Synonyms: prop- 2- en- 1- ylcyano[3- (dibutylamino)quinoxalin- 2- yl]acetate
Smiles: CCCCN(c1nc2ccccc2nc1C(C(=O)OCC=C)C#N)CCCC

STK545764
Synonyms: 3- [3- (2- methoxyphenoxy)propyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccccc1OC

STK545765
Synonyms: N- [1- (1H- benzimidazol- 2- yl)butyl]- 4- bromobenzamide
Smiles: CCCC(c1nc2c([nH]1)cccc2)NC(=O)c1ccc(cc1)Br

STK545767
Synonyms: N- [3- (4- benzylpiperidin- 1- yl)- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl]thiophene- 2- sulfonamide
Smiles: O=C1C(=C(N2CCC(CC2)Cc2ccccc2)C(=O)c2c1cccc2)NS(=O)(=O)c1cccs1

STK545768
Synonyms: N- {3- [(4- methylphenyl)sulfonyl]- 1- (tetrahydrofuran- 2- ylmethyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}- 4- nitrobenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccc(cc2)[N+](=O)[O-])n(c2c1nc1ccccc1n2)CC1CCCO1

STK545769
Synonyms: 3- (4- methoxyphenyl)- 5- (3- nitrophenyl)- 2,3a- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(cc1)C1N(OC2C1(c1ccccc1)C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK545771
Synonyms: (8S,8aR,11aS)- 8- [(4- chlorophenyl)carbonyl]- 10- (4- fluorophenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc(cc2)Cl)C=Cc2c1cccc2

STK545773
Synonyms: N'- [(3Z)- 5- bromo- 2- oxo- 1- {[2- (pyridin- 3- yl)piperidin- 1- yl]methyl}- 1,2- dihydro- 3H- indol- 3- ylidene]- 4- chlorobenzohydrazide
Smiles: Brc1ccc2c(c1)/C(=N/NC(=O)c1ccc(cc1)Cl)/C(=O)N2CN1CCCCC1c1cccnc1

STK545774
Synonyms: N- [3- (3,6- dichloro- 9H- carbazol- 9- yl)- 2- hydroxypropyl]- 4- methyl- N- (2- methylphenyl)benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(c1ccccc1C)CC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O

STK545777
Synonyms: [3- amino- 6- methyl- 4- (thiophen- 2- yl)thieno[2,3- b]pyridin- 2- yl](2,3- dihydro- 1,4- benzodioxin- 6- yl)methanone
Smiles: Cc1nc2sc(c(c2c(c1)c1cccs1)N)C(=O)c1ccc2c(c1)OCCO2

STK545779
Synonyms: 3- [3- (2,6- dimethylphenoxy)propyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1c(C)cccc1C

STK545780
Synonyms: (8S,8aR,11aS)- 10- (2- fluorophenyl)- 8- [(4- methoxyphenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1F)cccc3

STK545781
Synonyms: 3- [(dibutylamino)methyl]- 2,6,8- trimethylquinolin- 4- ol
Smiles: CCCCN(Cc1c(C)nc2c(c1O)cc(cc2C)C)CCCC

STK545783
Synonyms: 2- [(4- amino- 7- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (2- methylphenyl)acetamide
Smiles: CC1CCc2c(C1)sc1c2c(N)nc(n1)SCC(=O)Nc1ccccc1C

STK545785
Synonyms: 2- [(naphthalen- 1- ylmethyl)sulfanyl]- 5- [(4- nitrobenzyl)sulfanyl]- 1,3,4- thiadiazole
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nnc(s1)SCc1cccc2c1cccc2

STK545786
Synonyms: 3- (4- tert- butylphenyl)- 11- (4- fluorophenyl)- 10- hexanoyl- 2,3,4,5,10,11- hexahydro- 1H- dibenzo[b,e][1,4]diazepin- 1- one
Smiles: CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)F)C(=O)CC(C2)c1ccc(cc1)C(C)(C)C

STK545787
Synonyms: 4- acetyl- 1- [2- (diethylamino)ethyl]- 3- hydroxy- 5- (2- nitrophenyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CCN(CCN1C(=O)C(=C(C1c1ccccc1[N+](=O)[O-])C(=O)C)O)CC

STK545788
Synonyms: ethyl6- methyl- 2- ({[(5- methyl- 3- phenyl- 1,2- oxazol- 4- yl)carbonyl]carbamothioyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(=O)c2c(C)onc2c2ccccc2)sc2c1CCC(C2)C

STK545789
Synonyms: [(1S,2R,3S)- 2- (3,4- dimethoxyphenyl)- 1- nitro- 1,2,3,10b- tetrahydropyrrolo[2,1- a]phthalazin- 3- yl](phenyl)methanone
Smiles: COc1cc(ccc1OC)[C@H]1[C@H]([N+](=O)[O-])C2N([C@@H]1C(=O)c1ccccc1)N=Cc1c2cccc1

STK545791
Synonyms: 4- [(4- bromophenyl)carbonyl]- 1- [2- (diethylamino)ethyl]- 5- (3,4- dimethoxyphenyl)- 3- hydroxy- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CCN(CCN1C(c2ccc(c(c2)OC)OC)C(=C(C1=O)O)C(=O)c1ccc(cc1)Br)CC

STK545792
Synonyms: 3- [2- amino- 3- (phenylsulfonyl)- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl]propyl3- nitrobenzoate
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])OCCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccccc1

STK545793
Synonyms: ethyl2- (4- bromophenyl)- 4- hydroxy- 1- methyl- 5- oxo- 2,5- dihydro- 1H- pyrrole- 3- carboxylate
Smiles: CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)Br)C

STK545794
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 11- (4- chlorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccc(cc1Cl)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)Cl)c(nn1c1ccccc1)C

STK545796
Synonyms: 2- {[6- amino- 3,5- dicyano- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- (4- fluorobenzyl)acetamide
Smiles: N#Cc1c(SCC(=O)NCc2ccc(cc2)F)nc(c(c1c1cccs1)C#N)N

STK545797
Synonyms: N- (2- {(2Z)- 2- [1- (3- cyanopropyl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]hydrazinyl}- 2- oxoethyl)- 2- phenylacetamide(non- preferredname)
Smiles: N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccccc2)/c2c1cccc2

STK545798
Synonyms: 2- (butylsulfanyl)- 3- (4- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCC3

STK545799
Synonyms: N,N'- {benzene- 1,4- diylbis[oxy(2- hydroxypropane- 3,1- diyl)]}bis[4- chloro- N- (4- methoxyphenyl)benzenesulfonamide]
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)Cl)CC(COc1ccc(cc1)OCC(CN(S(=O)(=O)c1ccc(cc1)Cl)c1ccc(cc1)OC)O)O

STK545800
Synonyms: bis(2- methylpropyl)[(2,4- dichlorophenyl)(phenylamino)methyl]phosphonate
Smiles: CC(COP(=O)(C(c1ccc(cc1Cl)Cl)Nc1ccccc1)OCC(C)C)C

STK545801
Synonyms: 1- [bis(2- hydroxyethyl)amino]- 3- (4- methoxyphenoxy)propan- 2- ol
Smiles: OCCN(CC(COc1ccc(cc1)OC)O)CCO

STK545802
Synonyms: 8- (2- methylprop- 2- en- 1- yl)- 9- (propylsulfanyl)- 5,8- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7(6H)- one
Smiles: CCCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCc1c3cccc1

STK545803
Synonyms: 2- imino- N,1- bis(2- methoxyethyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: COCCn1c(=N)c(cc2c1nc1ccccn1c2=O)C(=O)NCCOC

STK545804
Synonyms: butyl2- amino- 1- [2- (4- sulfamoylphenyl)ethyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccc(cc1)S(=O)(=O)N

STK545805
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (3- chlorophenyl)methylidene]- 5- [(dimethylamino)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccc(c1)Cl)C

STK545806
Synonyms: 3- amino- N- (4- chlorophenyl)- 4- (furan- 2- yl)- 6- methyl- 2- [(3- nitrophenyl)carbonyl]thieno[2,3- b]pyridine- 5- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1c(C)nc2c(c1c1ccco1)c(N)c(s2)C(=O)c1cccc(c1)[N+](=O)[O-]

STK545807
Synonyms: (8S,8aR,11aS)- 8- [(4- chlorophenyl)carbonyl]- 10- (4- methoxyphenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc(cc2)Cl)N=Cc2c1cccc2

STK545808
Synonyms: N- phenyl- 2- [(5- phenyl- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccccc1)CSc1nnc2n1c(nc1c2c2CCCc2s1)c1ccccc1

STK545809
Synonyms: (3aR,4S,9aR,9bS)- 4- [(4- chlorophenyl)carbonyl]- 2- (2,4- dimethylphenyl)- 8- (phenylcarbonyl)- 3a,4,9a,9b- tetrahydro- 1H- pyrrolo[3,4- a]indolizine- 1,3(2H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)C)C(=O)c1ccccc1

STK545811
Synonyms: 3- amino- 6- ethyl- N- (4- fluorobenzyl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: CCC1CCc2c(C1)cc1c(n2)sc(c1N)C(=O)NCc1ccc(cc1)F

STK545812
Synonyms: N- (4- {3- [(4- chlorophenyl)carbonyl]- 4- hydroxy- 2- (4- methoxyphenyl)- 5- oxo- 2,5- dihydro- 1H- pyrrol- 1- yl}phenyl)acetamide
Smiles: COc1ccc(cc1)C1C(=C(C(=O)N1c1ccc(cc1)NC(=O)C)O)C(=O)c1ccc(cc1)Cl

STK545813
Synonyms: (8S,8aR,11aS)- 10- (4- chlorophenyl)- 8- [(4- chlorophenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2N=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Cl)cccc3

STK545815
Synonyms: 2- (hexylsulfanyl)- 6- iodo- 3- (2- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: CCCCCCSc1nc2ccc(cc2c(=O)n1c1ccccc1OC)I

STK545817
Synonyms: N'- [(E)- (4- fluorophenyl)methylidene]- 4- [(5- methyl- 3- nitro- 1H- pyrazol- 1- yl)methyl]benzohydrazide
Smiles: Fc1ccc(cc1)/C=N/NC(=O)c1ccc(cc1)Cn1nc(cc1C)[N+](=O)[O-]

STK545818
Synonyms: 2- {[3- (4- methoxyphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N- (4- phenoxyphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)Oc2ccccc2)nc2c(c1=O)cccc2

STK545819
Synonyms: 3'- (4- nitrophenyl)- 5'- (phenylcarbonyl)spiro[indole- 3,4'- [1,2]oxazol]- 2(1H)- one
Smiles: O=C(C1ON=C(C21C(=O)Nc1c2cccc1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK545820
Synonyms: 2- [(3- benzyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (diphenylmethyl)acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK545821
Synonyms: 3- [2- (4- methoxyphenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)OCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC

STK545822
Synonyms: methyl4- ethyl- 5- methyl- 2- ({1,1,1- trifluoro- 3- methoxy- 3- oxo- 2- [(3- phenylpropanoyl)amino]propan- 2- yl}amino)thiophene- 3- carboxylate
Smiles: COC(=O)C(C(F)(F)F)(Nc1sc(c(c1C(=O)OC)CC)C)NC(=O)CCc1ccccc1

STK545823
Synonyms: [5- (2- chloro- 6,7- dimethoxyquinolin- 3- yl)- 3- (3,4- dimethoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl](furan- 2- yl)methanone
Smiles: COc1ccc(cc1OC)C1=NN(C(C1)c1cc2cc(OC)c(cc2nc1Cl)OC)C(=O)c1ccco1

STK545824
Synonyms: ethyl4- [11- (4- methoxybenzyl)- 4- oxo- 4,11- dihydro- 3H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 3- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(cc1)OC

STK545827
Synonyms: 2- (3- {2- [(2- bromophenyl)carbonyl]hydrazinyl}- 3- oxopropyl)hexanoicacid
Smiles: CCCCC(C(=O)O)CCC(=O)NNC(=O)c1ccccc1Br

STK545828
Synonyms: ethyl4- {[11- (4- fluorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)F)c(nn1c1ccccc1)C

STK545829
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- (2- methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc(nc2c1c1CC(C)(C)OCc1s2)c1ccccc1

STK545830
Synonyms: 3- [3- (2- bromo- 6- chloro- 4- methylphenoxy)propyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1c(Cl)cc(cc1Br)C

STK545831
Synonyms: 2- [3- oxo- 3- (1,3- thiazol- 2- ylamino)propyl]hexanoicacid
Smiles: CCCCC(C(=O)O)CCC(=O)Nc1nccs1

STK545833
Synonyms: 3,4- dimethoxy- N- (2- {[(2E)- 2- (2,4,5- trimethoxybenzylidene)hydrazinyl]carbonyl}phenyl)benzamide
Smiles: COc1cc(OC)c(cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(c(c1)OC)OC)OC

STK545834
Synonyms: N- [1- (1- benzyl- 1H- benzimidazol- 2- yl)- 3- (methylsulfanyl)propyl]- 4- methoxybenzamide
Smiles: CSCCC(c1nc2c(n1Cc1ccccc1)cccc2)NC(=O)c1ccc(cc1)OC

STK545835
Synonyms: ethyl2- ({(2E)- 2- cyano- 3- [4- (propan- 2- yl)phenyl]prop- 2- enoyl}amino)- 5- phenylthiophene- 3- carboxylate
Smiles: CCOC(=O)c1cc(sc1NC(=O)/C(=C/c1ccc(cc1)C(C)C)/C#N)c1ccccc1

STK545836
Synonyms: 1- {[2- (diethylamino)ethyl]amino}- 3- methyl- 2- (2- methylprop- 2- en- 1- yl)pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCN(CCNc1c(CC(=C)C)c(C)c(c2n1c1ccccc1n2)C#N)CC

STK545837
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {4- methoxy- 3- [(3- methyl- 4- nitrophenoxy)methyl]phenyl}methylidene]- 5- [(phenylamino)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])/C=N/NC(=O)c1nnn(c1CNc1ccccc1)c1nonc1N

STK545838
Synonyms: 4- [3- (quinolin- 2- yl)- 5- sulfanyl- 4H- 1,2,4- triazol- 4- yl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)n1c(S)nnc1c1ccc2c(n1)cccc2

STK545839
Synonyms: (8S,8aR,11aS)- 10- (2- chlorophenyl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: O=C([C@H]1N2N=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1Cl)cccc3)c1ccccc1

STK545840
Synonyms: 4- {10- methyl- 6- [(4- methylphenyl)amino]- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}benzene- 1,2- diol
Smiles: Cc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(c(c1)O)O)C)c1ccccc1

STK545842
Synonyms: N- [3- (3,6- dichloro- 9H- carbazol- 9- yl)- 2- hydroxypropyl]- N- (2,6- dimethylphenyl)- 4- methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(c1c(C)cccc1C)CC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O

STK545843
Synonyms: 2- {[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N- (3- fluorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nnc(s1)SCc1ccccc1

STK545845
Synonyms: methyl5- cyano- 2- methyl- 6- sulfanyl- 4- (thiophen- 2- yl)- 1,4- dihydropyridine- 3- carboxylate
Smiles: COC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)S

STK545846
Synonyms: 5- (4- {[4- methoxy- 3- (piperidin- 1- ylcarbonyl)phenyl]amino}phthalazin- 1- yl)- N,2- dimethylbenzenesulfonamide
Smiles: COc1ccc(cc1C(=O)N1CCCCC1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NC)C

STK499802
Synonyms:
Smiles: O=C(N1CCN(CC1)Cc1nc2c(n1C)ccc(c2)[N](=O)[O-])NC1CCCCC1

STK499803
Synonyms:
Smiles: O=C(N1CCN(CC1)Cc1nc2c(n1C)ccc(c2)[N](=O)[O-])COc1ccccc1

STK499804
Synonyms:
Smiles: COc1ccc(cc1)OCC(=O)N1CCN(CC1)Cc1nc2c(n1C)ccc(c2)[N](=O)[O-]

STK499806
Synonyms:
Smiles: [O-][N](=O)c1ccc2c(c1)nc(n2C)CN1CCN(CC1)S(=O)(=O)C

STK660177
Synonyms: N- [(E)- 1H- indol- 6- ylmethylidene]- 5,7- dimethyl- 2- phenyl- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- amine
Smiles: CC12CN3CC(C2/N=C/c2ccc4c(c2)[nH]cc4)(CN(C1)C3c1ccccc1)C

STK673410
Synonyms: 2- amino- 1- [2- chloro- 5- (trifluoromethyl)phenyl]- 7,7- dimethyl- 5- oxo- 4- phenyl- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(N)N(c2cc(ccc2Cl)C(F)(F)F)C2=C(C1c1ccccc1)C(=O)CC(C2)(C)C

STK832780
Synonyms: 2- [4- (2- amino- 3- cyano- 7- methyl- 5- oxo- 4H,5H- pyrano[4,3- b]pyran- 4- yl)phenoxy]acetamide
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)OCC(=O)N)c(=O)oc(c2)C

STK545847
Synonyms: N- {4- [3- hydroxy- 5- (3- nitrophenyl)- 2- oxo- 4- (phenylcarbonyl)- 2,5- dihydro- 1H- pyrrol- 1- yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccccc1

STK545849
Synonyms: 2- (propan- 2- ylsulfanyl)- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCn1c(SC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545851
Synonyms: (8S,8aR,11aS)- 8- [(4- chlorophenyl)carbonyl]- 10- (4- methoxyphenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc(cc2)Cl)C=Cc2c1cccc2

STK545852
Synonyms: [3- amino- 4- (thiophen- 2- yl)- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]thieno[3,2- e]pyridin- 2- yl](4- methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCCC1

STK545853
Synonyms: prop- 2- en- 1- yl5- cyano- 6- ({2- [(3,4- difluorophenyl)amino]- 2- oxoethyl}sulfanyl)- 4- [4- (methoxycarbonyl)phenyl]- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C(=O)OC)C#N)SCC(=O)Nc1ccc(c(c1)F)F

STK545854
Synonyms: 1,3- di(9H- carbazol- 9- yl)propan- 2- ol
Smiles: OC(Cn1c2ccccc2c2c1cccc2)Cn1c2ccccc2c2c1cccc2

STK545855
Synonyms: 4- amino- N'- [(E)- (4- bromophenyl)methylidene]- 1,2,5- oxadiazole- 3- carbohydrazonamide
Smiles: Brc1ccc(cc1)/C=N/N=C(/c1nonc1N)\N

STK545856
Synonyms: methyl5- chloro- 3- {[(2E)- 3- phenylprop- 2- enoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)/C=C/c1ccccc1)cc(cc2)Cl

STK545858
Synonyms: 3- [(4- chlorophenyl)sulfonyl]- 1- (3- methylbutyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: CC(CCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)Cl)C

STK545859
Synonyms: (2E)- N- ({4- [(5- ethyl- 1,3,4- thiadiazol- 2- yl)sulfamoyl]phenyl}carbamothioyl)- 3- (thiophen- 2- yl)prop- 2- enamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1cccs1

STK545860
Synonyms: 2- [(2- benzyl- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl)sulfanyl]- N- (2,4- dichlorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CSc1nc(Cc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK545861
Synonyms: 3- (4- bromophenyl)- 2- [(E)- 2- (2,4- dichlorophenyl)ethenyl]- 6- iodoquinazolin- 4(3H)- one
Smiles: Brc1ccc(cc1)n1c(/C=C/c2ccc(cc2Cl)Cl)nc2c(c1=O)cc(cc2)I

STK545862
Synonyms: 1- (4- chlorophenyl)- 2- [(5- phenyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]ethanone
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1

STK545863
Synonyms: N- [1- (1- hexyl- 1H- benzimidazol- 2- yl)butyl]benzamide
Smiles: CCCCCCn1c(nc2c1cccc2)C(NC(=O)c1ccccc1)CCC

STK545864
Synonyms: (3S)- 2- (4- bromo- 2- fluorophenyl)- 3- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)cyclopropane- 1,1- dicarbonitrile
Smiles: N#CC1(C#N)[C@H](C1c1ccc(cc1F)Br)C(=O)C12CC3CC(C2)CC(C1)C3

STK545865
Synonyms: N- {(1E)- 1- (furan- 2- yl)- 3- [(4- methylphenyl)amino]- 3- oxoprop- 1- en- 2- yl}- 3,4,5- trimethoxybenzamide
Smiles: COc1c(OC)cc(cc1OC)C(=O)N/C(=C/c1ccco1)/C(=O)Nc1ccc(cc1)C

STK545866
Synonyms: 1,5- bis(4- fluorophenyl)- 3- hydroxy- 4- [(4- methylphenyl)carbonyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Fc1ccc(cc1)C1C(=C(C(=O)N1c1ccc(cc1)F)O)C(=O)c1ccc(cc1)C

STK545867
Synonyms: 8- chloro- N- [2- (cyclohex- 1- en- 1- yl)ethyl]- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)NCCC1=CCCCC1

STK545868
Synonyms: (8S,8aR,11aS)- 10- (2- fluorophenyl)- 8- [(3- nitrophenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C([C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1F)cccc3)c1cccc(c1)[N+](=O)[O-]

STK545869
Synonyms: (2E)- N- (3- methyl- 1H- 1,2,4- triazol- 5- yl)- 3- phenylprop- 2- enamide
Smiles: O=C(Nc1[nH]nc(n1)C)/C=C/c1ccccc1

STK545870
Synonyms: 4- [(E)- {(2E)- [amino(4- amino- 1,2,5- oxadiazol- 3- yl)methylidene]hydrazinylidene}methyl]- 2- methoxyphenyl4- chlorobenzoate
Smiles: COc1cc(/C=N/N=C(\c2nonc2N)/N)ccc1OC(=O)c1ccc(cc1)Cl

STK545873
Synonyms: [(4- ethoxyphenyl)sulfonyl][3- (4- {[(2- methylphenyl)carbonyl]amino}pyridinium- 1- yl)quinoxalin- 2- yl]azanide
Smiles: CCOc1ccc(cc1)S(=O)(=O)[N-]c1nc2ccccc2nc1[n+]1ccc(cc1)NC(=O)c1ccccc1C

STK545875
Synonyms: ethyl4- hydroxy- 1- methyl- 2- (4- nitrophenyl)- 5- oxo- 2,5- dihydro- 1H- pyrrole- 3- carboxylate
Smiles: CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])C

STK545878
Synonyms: (8S,8aR,11aS)- 10- (2- chlorophenyl)- 8- [(3- nitrophenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C([C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1Cl)cccc3)c1cccc(c1)[N+](=O)[O-]

STK545880
Synonyms: 2- amino- 1- (3,5- dimethylphenyl)- N- (furan- 2- ylmethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Cc1cc(C)cc(c1)n1c(N)c(c2c1nc1ccccc1n2)C(=O)NCc1ccco1

STK545881
Synonyms: ethyl5- (4- chloro- 3- nitrophenyl)- 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)c1ccc(c(c1)[N+](=O)[O-])Cl

STK545882
Synonyms: prop- 2- en- 1- yl2- amino- 1- (4- methoxybenzyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: C=CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc(cc1)OC

STK545883
Synonyms: 3- [bis(3- methylbutyl)amino]- 1- (4- propoxyphenyl)pyrrolidine- 2,5- dione
Smiles: CCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(CCC(C)C)CCC(C)C

STK545884
Synonyms: N~4~- benzyl- N~2~- (3,4- dichlorophenyl)quinazoline- 2,4- diamine
Smiles: Clc1ccc(cc1Cl)Nc1nc(NCc2ccccc2)c2c(n1)cccc2

STK545885
Synonyms: 1- [3,3- bis(4- chlorophenyl)- 3'- (4- nitrophenyl)- 3H,3'H- spiro[2- benzothiophene- 1,2'- [1,3,4]thiadiazol]- 5'- yl]ethanone
Smiles: Clc1ccc(cc1)C1(SC2(c3c1cccc3)SC(=NN2c1ccc(cc1)[N+](=O)[O-])C(=O)C)c1ccc(cc1)Cl

STK545886
Synonyms: N- (4- methoxyphenyl)- 2- ({5- [(naphthalen- 1- ylmethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(s1)SCc1cccc2c1cccc2

STK545887
Synonyms: prop- 2- en- 1- yl{3- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]quinoxalin- 2- yl}(cyano)acetate
Smiles: C=CCOC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)Cc1ccc2c(c1)OCO2)C#N

STK545888
Synonyms: 1- methyl- 2- [(phenylsulfanyl)methyl]- 1H- indole- 3- carbonitrile
Smiles: N#Cc1c(CSc2ccccc2)n(c2c1cccc2)C

STK545889
Synonyms: 2- butyl- 1- {[2- (diethylamino)ethyl]amino}- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCCCc1c(C)c(C#N)c2n(c1NCCN(CC)CC)c1ccccc1n2

STK545890
Synonyms: 3- ethyl6- methyl4- [(4- bromophenyl)amino]quinoline- 3,6- dicarboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)Br)cc(cc2)C(=O)OC

STK545891
Synonyms: N,1- dibenzyl- 2- [(phenylcarbonyl)amino]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: O=C(c1ccccc1)Nc1c(C(=O)NCc2ccccc2)c2c(n1Cc1ccccc1)nc1c(n2)cccc1

STK545892
Synonyms: 5- (4- chlorophenyl)- 3- hydroxy- 4- [(4- methylphenyl)carbonyl]- 1- (prop- 2- en- 1- yl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: C=CCN1C(=O)C(=C(C1c1ccc(cc1)Cl)C(=O)c1ccc(cc1)C)O

STK545894
Synonyms: 2- {[3- cyano- 6- (4- methoxyphenyl)- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- (furan- 2- ylmethyl)acetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)NCc2ccco2)c(c(c1)c1cccs1)C#N

STK545895
Synonyms: (8S,8aR,11aS)- 10- (2,4- dichlorophenyl)- 8- [(3- nitrophenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2cccc(c2)[N+](=O)[O-])C=Cc2c1cccc2

STK545896
Synonyms: ethyl6- amino- 5- cyano- 2- {[(3- cyano- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]pyridin- 2- yl)sulfanyl]methyl}- 4- (3,4- dichlorophenyl)- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc3CCCCCc3cc2C#N)OC(=C(C1c1ccc(c(c1)Cl)Cl)C#N)N

STK545897
Synonyms: 9- (4- chlorophenyl)- 7- (4- fluorophenyl)- 5,7- dihydro- 6H- benzo[h][1,3]thiazolo[2,3- b]quinazoline
Smiles: Fc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)Cl)c1c(CC2)cccc1

STK545898
Synonyms: (3S)- 2- (3- bromophenyl)- 3- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)cyclopropane- 1,1- dicarbonitrile
Smiles: N#CC1(C#N)C([C@@H]1C(=O)C12CC3CC(C2)CC(C1)C3)c1cccc(c1)Br

STK545899
Synonyms: (2S,3R,10bS)- 3- (2,2- dimethylpropanoyl)- 2- (2,3,4- trimethoxyphenyl)- 2,3- dihydropyrrolo[2,1- a]isoquinoline- 1,1(10bH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@H]([C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C(C)(C)C)c1ccc(c(c1OC)OC)OC

STK545900
Synonyms: 4- methyl- 7- (2- {[2- (pyrrolidin- 1- yl)ethyl]sulfanyl}ethoxy)- 2H- chromen- 2- one
Smiles: O=c1cc(C)c2c(o1)cc(cc2)OCCSCCN1CCCC1

STK545901
Synonyms: butylcyano[3- (morpholin- 4- yl)quinoxalin- 2- yl]acetate
Smiles: CCCCOC(=O)C(c1nc2ccccc2nc1N1CCOCC1)C#N

STK545903
Synonyms: 2- (4- chlorophenyl)- 3- {2- [2- (2,3,6- trimethylphenoxy)ethoxy]ethyl}quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1c(C)ccc(c1C)C

STK545907
Synonyms: N- {1- (3- methoxypropyl)- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}- 4- methylbenzenesulfonamide
Smiles: COCCCn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C

STK545908
Synonyms: {3- [4- (4- fluorophenyl)piperazin- 1- yl]quinoxalin- 2- yl}[(4- methylphenyl)sulfonyl]acetonitrile
Smiles: N#CC(S(=O)(=O)c1ccc(cc1)C)c1nc2ccccc2nc1N1CCN(CC1)c1ccc(cc1)F

STK545910
Synonyms: 4- amino- N'- [(E)- {4- [(4- fluorobenzyl)oxy]- 3- methoxyphenyl}methylidene]- 1,2,5- oxadiazole- 3- carbohydrazonamide
Smiles: COc1cc(/C=N/N=C(/c2nonc2N)\N)ccc1OCc1ccc(cc1)F

STK545913
Synonyms: 3- (4- benzylpiperazin- 1- yl)- 4- chloro- 1- phenyl- 1H- pyrrole- 2,5- dione
Smiles: ClC1=C(N2CCN(CC2)Cc2ccccc2)C(=O)N(C1=O)c1ccccc1

STK545914
Synonyms: (5Z)- 2- [(2,3- dichlorophenyl)amino]- 5- (1H- indol- 3- ylmethylidene)- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1c[nH]c2c1cccc2)Nc1cccc(c1Cl)Cl

STK545915
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- ethoxy- 4- [(2- fluorobenzyl)oxy]phenyl}methylidene]- 5- (phenoxymethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2COc2ccccc2)c2nonc2N)ccc1OCc1ccccc1F

STK545916
Synonyms: N- (2- {(2Z)- 2- [1- (3- cyanopropyl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]hydrazinyl}- 2- oxoethyl)thiophene- 2- carboxamide(non- preferredname)
Smiles: N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccs2)/c2c1cccc2

STK545917
Synonyms: 2- (4- methoxyphenyl)- 3- [3- (2,3,5- trimethylphenoxy)propyl]quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1cc(C)cc(c1C)C

STK545919
Synonyms: 3- butyl- 2- (prop- 2- en- 1- ylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCCn1c(SCC=C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545920
Synonyms: 6- (4- methoxyphenyl)- 2- [(3- methylbutyl)sulfanyl]- 4- phenylpyridine- 3- carbonitrile
Smiles: N#Cc1c(SCCC(C)C)nc(cc1c1ccccc1)c1ccc(cc1)OC

STK545921
Synonyms: N- ({2- [(3,5- dimethoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)pyridine- 3- carboxamide
Smiles: COc1cc(OC)cc(c1)C(=O)NNC(=S)NC(=O)c1cccnc1

STK545922
Synonyms: 3- hydroxy- 1- (4- nitrophenyl)- 5- phenyl- 4- (phenylcarbonyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: O=C(C1=C(O)C(=O)N(C1c1ccccc1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK545923
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- phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc(nc2c1c1CC(C)(C)OCc1s2)c1ccccc1

STK545924
Synonyms: [3- (3- {[(4- methoxyphenyl)carbonyl]amino}pyridinium- 1- yl)quinoxalin- 2- yl](phenylsulfonyl)azanide
Smiles: COc1ccc(cc1)C(=O)Nc1ccc[n+](c1)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1

STK545926
Synonyms: 2- {[(2E)- 3- chlorobut- 2- en- 1- yl]sulfanyl}- 6- iodo- 3- (2- methylprop- 2- en- 1- yl)quinazolin- 4(3H)- one
Smiles: CC(=C)Cn1c(SC/C=C(/Cl)\C)nc2c(c1=O)cc(cc2)I

STK545928
Synonyms: 4- (4- ethylpiperazin- 1- yl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine
Smiles: CCN1CCN(CC1)c1ncnc2c1c1CCCCc1s2

STK545930
Synonyms: 2- butyl- 1- (3,5- dimethylpiperidin- 1- yl)- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCCCc1c(C)c(C#N)c2n(c1N1CC(C)CC(C1)C)c1ccccc1n2

STK545931
Synonyms: (8S,8aR,11aS)- 10- (4- bromophenyl)- 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)c1ccc(cc1)Br)cccc3

STK545934
Synonyms: 2- methoxyethyl2- amino- 1- (4- methoxybenzyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCCOC(=O)c1c2nc3ccccc3nc2n(c1N)Cc1ccc(cc1)OC

STK545935
Synonyms: N- (2,4- dimethylphenyl)- 11- (2- fluorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1ccc(c(c1)C)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1F)C)c1ccccc1

STK545936
Synonyms: propan- 2- yl2- amino- 1- [3- (morpholin- 4- yl)propyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCCN1CCOCC1)C

STK545937
Synonyms: N- (3- chlorophenyl)- 10- methyl- 8- phenyl- 11- [4- (propan- 2- yl)phenyl]- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Clc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)C)c(nn1c1ccccc1)C

STK545938
Synonyms: 3- (3,3- dimethylpiperidin- 1- yl)- 5- [(4- methoxyphenyl)amino]- 6H- anthra[1,9- cd][1,2]oxazol- 6- one
Smiles: COc1ccc(cc1)Nc1cc(N2CCCC(C2)(C)C)c2c3c1C(=O)c1ccccc1c3on2

STK545939
Synonyms: 2- butyl- 3- methyl- 1- (morpholin- 4- yl)pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCCCc1c(C)c(C#N)c2n(c1N1CCOCC1)c1ccccc1n2

STK545940
Synonyms: 4- {(E)- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(dimethylamino)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]methyl}- 2,6- dimethoxyphenylacetate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CN(C)C)c2nonc2N)cc(c1OC(=O)C)OC

STK545941
Synonyms: (2E)- N- {[4- (4- fluorophenyl)piperazin- 1- yl]carbonothioyl}- 3- (4- methylphenyl)prop- 2- enamide
Smiles: O=C(NC(=S)N1CCN(CC1)c1ccc(cc1)F)/C=C/c1ccc(cc1)C

STK545942
Synonyms: 3- (4- chlorophenyl)- 5- (furan- 2- yl)- 1- (phenylsulfonyl)- 4,5- dihydro- 1H- pyrazole
Smiles: Clc1ccc(cc1)C1=NN(C(C1)c1ccco1)S(=O)(=O)c1ccccc1

STK545943
Synonyms: N- (2,4- dichlorophenyl)- 11- (2- methoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccccc1C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1Cl)Cl)c1ccccc1

STK545944
Synonyms: (8S,8aR,11aS)- N- (4- chlorophenyl)- 10- (3- fluorophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)F)cccc3

STK545945
Synonyms: 2- (4- methoxyphenyl)- 3- {2- [3- (propan- 2- yl)phenoxy]ethyl}quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1cccc(c1)C(C)C

STK545946
Synonyms: 3- {4- (4- ethoxyphenyl)- 5- [(4- fluorobenzyl)sulfanyl]- 4H- 1,2,4- triazol- 3- yl}pyridine
Smiles: CCOc1ccc(cc1)n1c(nnc1c1cccnc1)SCc1ccc(cc1)F

STK545949
Synonyms: 7- [2- (4- fluorophenyl)- 2- oxoethyl]- 1,3- dimethyl- 8- (4- methylpiperidin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC1CCN(CC1)c1nc2c(n1CC(=O)c1ccc(cc1)F)c(=O)n(c(=O)n2C)C

STK545950
Synonyms: methyl[(6- methoxy- 2- methylquinolin- 4- yl)sulfanyl]acetate
Smiles: COC(=O)CSc1cc(C)nc2c1cc(OC)cc2

STK545951
Synonyms: 8- {[butyl(ethyl)amino]methyl}- 3- (3,5- dimethylphenoxy)- 6- hexyl- 7- hydroxy- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: CCCCCCc1cc2c(c(c1O)CN(CCCC)CC)oc(c(c2=O)Oc1cc(C)cc(c1)C)C(F)(F)F

STK545952
Synonyms: (6aS,6bR,9aS,10R)- 10- [(3- bromo- 4- methoxyphenyl)carbonyl]- 8- (naphthalen- 1- yl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc3c1cccc3)C=Cc1c2cccc1

STK545953
Synonyms: (4bS,7aR,8S)- 6- (4- methylphenyl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccccc2)N=CC=C1

STK545956
Synonyms: methylcyano[3- (4- phenylpiperazin- 1- yl)quinoxalin- 2- yl]acetate
Smiles: COC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)c1ccccc1)C#N

STK545957
Synonyms: (3aR,4S,9aR,9bS)- 4- [(4- chlorophenyl)carbonyl]- 2- (2- fluorophenyl)- 8- (phenylcarbonyl)- 3a,4,9a,9b- tetrahydro- 1H- pyrrolo[3,4- a]indolizine- 1,3(2H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1F)C(=O)c1ccccc1

STK545958
Synonyms: N- (4- chlorophenyl)- 4- {[2- (4- propoxyphenyl)quinazolin- 4- yl]oxy}benzamide
Smiles: CCCOc1ccc(cc1)c1nc(Oc2ccc(cc2)C(=O)Nc2ccc(cc2)Cl)c2c(n1)cccc2

STK545959
Synonyms: 3- {2- [(furan- 2- ylcarbonyl)amino]- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl}propylfuran- 2- carboxylate
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c2nc3ccccc3nc2n(c1NC(=O)c1ccco1)CCCOC(=O)c1ccco1

STK545960
Synonyms: 11- (3- chloro- 4- methoxyphenyl)- 3- cyclohexyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccc(cc1Cl)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)C1CCCCC1

STK545961
Synonyms: (6aS,6bR,9aS,10R)- 10- (1H- benzotriazol- 1- ylcarbonyl)- 8- (2- methoxy- 5- nitrophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2)[N+](=O)[O-]

STK545962
Synonyms: (8S,8aR,11aS)- 10- (4- acetylphenyl)- 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]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc(cc1)C(=O)C

STK545963
Synonyms: ethyl4- {2- (4- chlorophenyl)- 4- hydroxy- 3- [(4- methoxyphenyl)carbonyl]- 5- oxo- 2,5- dihydro- 1H- pyrrol- 1- yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)C(=C(C1c1ccc(cc1)Cl)C(=O)c1ccc(cc1)OC)O

STK545964
Synonyms: 11- benzyl- 3- (tetrahydrofuran- 2- ylmethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: O=c1n(cnc2c1c1nc3ccccc3nc1n2Cc1ccccc1)CC1CCCO1

STK545965
Synonyms: 3- (biphenyl- 4- yloxy)- 8- [(4- ethylpiperazin- 1- yl)methyl]- 7- hydroxy- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: CCN1CCN(CC1)Cc1c(O)ccc2c1oc(c(c2=O)Oc1ccc(cc1)c1ccccc1)C(F)(F)F

STK545966
Synonyms: 3- [3- (2- bromo- 4- chlorophenoxy)propyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccc(cc1Br)Cl

STK545969
Synonyms: 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N,N- dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3)CCC

STK545970
Synonyms: 4- (phenylcarbonyl)phenyl(6aS,6bR,9aS,10R)- 8- (4- fluorophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxylate
Smiles: O=C([C@H]1[C@@H]2[C@H]([C@H]3N1c1ccccc1C=C3)C(=O)N(C2=O)c1ccc(cc1)F)Oc1ccc(cc1)C(=O)c1ccccc1

STK545971
Synonyms: 11- [2- (4- methoxyphenyl)ethyl]- 3- (2- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccc(cc1)CCn1c2ncn(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1

STK545972
Synonyms: 3- (benzylsulfanyl)- 5- phenyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: c1ccc(cc1)c1nc2sc3c(c2c2n1c(SCc1ccccc1)nn2)CCCC3

STK545973
Synonyms: N- [(9,10- dioxo- 9,10- dihydroanthracen- 2- yl)carbamothioyl]- 3,4- dimethoxybenzamide
Smiles: COc1cc(ccc1OC)C(=O)NC(=S)Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1

STK545974
Synonyms: 3- [3- (4- chloro- 3- methylphenoxy)propyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccc(c(c1)C)Cl

STK545975
Synonyms: methyl4- [({[4- (4- acetylphenyl)- 5- (4- propoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCCOc1ccc(cc1)c1nnc(n1c1ccc(cc1)C(=O)C)SCC(=O)Nc1ccc(cc1)C(=O)OC

STK545976
Synonyms: 3- {(E)- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- methylpiperidin- 1- yl)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]methyl}phenyl4- chloro- 3- nitrobenzoate
Smiles: CC1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccc(c1)OC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl

STK545977
Synonyms: N'~1~,N'~8~- bis[(3E)- 2- oxo- 1- propyl- 1,2- dihydro- 3H- indol- 3- ylidene]octanedihydrazide
Smiles: CCCN1C(=O)/C(=N/NC(=O)CCCCCCC(=O)N/N=C/2\c3ccccc3N(C2=O)CCC)/c2c1cccc2

STK545978
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- methyl- N'- {(1E)- 1- [4- (2- methylpropyl)phenyl]ethylidene}- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CC(Cc1ccc(cc1)/C(=N/NC(=O)c1nnn(c1C)c1nonc1N)/C)C

STK545979
Synonyms: (8S,8aR,11aS)- 10- (1,3- benzodioxol- 5- yl)- 8- [(4- methoxyphenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3

STK545980
Synonyms: 1- (decylamino)- 3- (3,6- dichloro- 9H- carbazol- 9- yl)propan- 2- ol
Smiles: CCCCCCCCCCNCC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O

STK545981
Synonyms: 1- [8- (2,5- dimethylphenyl)- 1- (2- nitrophenyl)- 6- phenyl- 4- thia- 1,2,6,7- tetraazaspiro[4.5]deca- 2,7- dien- 3- yl]ethanone
Smiles: Cc1ccc(c(c1)C1=NN(C2(CC1)SC(=NN2c1ccccc1[N+](=O)[O-])C(=O)C)c1ccccc1)C

STK545982
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 10- methyl- 11- (3- nitrophenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccc(cc1Cl)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)[N+](=O)[O-])c(nn1c1ccccc1)C

STK545983
Synonyms: 2,2'- [benzene- 1,4- diylbis(oxy)]bis{N'- [(E)- 1H- indol- 3- ylmethylidene]acetohydrazide}
Smiles: O=C(COc1ccc(cc1)OCC(=O)N/N=C/c1c[nH]c2c1cccc2)N/N=C/c1c[nH]c2c1cccc2

STK545984
Synonyms: (4Z)- 2- (4- bromophenyl)- 4- ({5- [3- (trifluoromethyl)phenyl]furan- 2- yl}methylidene)- 1,3- oxazol- 5(4H)- one
Smiles: Brc1ccc(cc1)C1=N/C(=C\c2ccc(o2)c2cccc(c2)C(F)(F)F)/C(=O)O1

STK545985
Synonyms: (8S,8aR,11aS)- 10- (4- bromophenyl)- 8- [(4- methoxyphenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Br)cccc3

STK545986
Synonyms: 3- [(5Z)- 5- (3- nitrobenzylidene)- 2,4- dioxo- 1,3- thiazolidin- 3- yl]propanoicacid
Smiles: OC(=O)CCN1C(=O)S/C(=C\c2cccc(c2)[N+](=O)[O-])/C1=O

STK545987
Synonyms: 3- [4- (2,4- dimethylphenoxy)butyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1ccc(cc1C)C

STK545988
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- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc(nc2c1c1CC(C)(C)OCc1s2)c1ccccc1

STK545989
Synonyms: 3- (3,4- dichlorophenyl)- 11- (4- methylphenyl)- 10- (trifluoroacetyl)- 2,3,4,5,10,11- hexahydro- 1H- dibenzo[b,e][1,4]diazepin- 1- one
Smiles: Cc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(c(c2)Cl)Cl)Nc2c(N1C(=O)C(F)(F)F)cccc2

STK545990
Synonyms: 6- amino- 4- {2- [(2- chlorobenzyl)oxy]phenyl}- 3- (methoxymethyl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: COCc1[nH]nc2c1C(C(=C(O2)N)C#N)c1ccccc1OCc1ccccc1Cl

STK545991
Synonyms: 2- [(3- butyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (2,4- dimethylphenyl)acetamide
Smiles: CCCCn1c(SCC(=O)Nc2ccc(cc2C)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545992
Synonyms: 1,1'- ethane- 1,2- diylbis(3,5- dimethyl- 1H- pyrazole)
Smiles: Cc1cc(nn1CCn1nc(cc1C)C)C

STK545993
Synonyms: 4- [(4- chlorophenyl)carbonyl]- 5- (3,4- dimethoxyphenyl)- 3- hydroxy- 1- phenyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: COc1ccc(cc1OC)C1C(=C(C(=O)N1c1ccccc1)O)C(=O)c1ccc(cc1)Cl

STK545995
Synonyms: N- (12- cyanoindolizino[2,3- b]quinoxalin- 2- yl)- 2- methylbenzamide
Smiles: N#Cc1c2cc(ccn2c2c1nc1ccccc1n2)NC(=O)c1ccccc1C

STK545998
Synonyms: 3- [2- (2,4- dichloro- 6- methylphenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1c(C)cc(cc1Cl)Cl

STK545999
Synonyms: 3- [2- (biphenyl- 2- yloxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccccc1c1ccccc1

STK546000
Synonyms: 3- [(4- methylphenyl)sulfonyl]- 1- [1- (1- pentyl- 1H- benzimidazol- 2- yl)ethyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: CCCCCn1c2ccccc2nc1C(n1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)C)C

STK546001
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- [2- (4- methoxyphenyl)ethyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCC(OC(=O)c1c2nc3ccccc3nc2n(c1N)CCc1ccc(cc1)OC)C

STK546003
Synonyms: 4- acetyl- 3- hydroxy- 5- (4- hydroxy- 3- methoxyphenyl)- 1- (1,3- thiazol- 2- yl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: COc1cc(ccc1O)C1N(c2nccs2)C(=O)C(=C1C(=O)C)O

STK546004
Synonyms: ethyl4- [2- (2,4- dimethoxyphenyl)- 4- hydroxy- 5- oxo- 3- (phenylcarbonyl)- 2,5- dihydro- 1H- pyrrol- 1- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)C(=C(C1c1ccc(cc1OC)OC)C(=O)c1ccccc1)O

STK546005
Synonyms: N- (4- bromophenyl)- 2- [(2- butyl- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl)sulfanyl]acetamide
Smiles: CCCCc1nc(SCC(=O)Nc2ccc(cc2)Br)c2c(n1)sc1c2CC(OC1)(C)C

STK546006
Synonyms: 3- [2- (2- tert- butylphenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccccc1C(C)(C)C

STK546008
Synonyms: 2- chloro- N- ({4- [(3- methoxypyrazin- 2- yl)sulfamoyl]phenyl}carbamothioyl)benzamide
Smiles: COc1nccnc1NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccccc1Cl

STK546010
Synonyms: (5E)- 2- [4- (3- chloro- 4- methylphenyl)piperazin- 1- yl]- 5- {2- [(4- nitrobenzyl)oxy]benzylidene}- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C/c1ccccc1OCc1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)c1ccc(c(c1)Cl)C

STK546012
Synonyms: 1- (4- chlorophenyl)- 2- [(2- ethyl- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl)sulfanyl]ethanone
Smiles: CCc1nc(SCC(=O)c2ccc(cc2)Cl)c2c(n1)sc1c2CC(OC1)(C)C

STK546014
Synonyms: N- [(3- cyano- 4,5,6,7,8,9- hexahydrocycloocta[b]thiophen- 2- yl)carbamothioyl]- 5- methyl- 3- phenyl- 1,2- oxazole- 4- carboxamide
Smiles: N#Cc1c(NC(=S)NC(=O)c2c(C)onc2c2ccccc2)sc2c1CCCCCC2

STK546015
Synonyms: 1,1'- (9H- fluorene- 2,7- diyldisulfonyl)bis[4- (2- chlorophenyl)piperazine]
Smiles: Clc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)Cc1c2ccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1Cl

STK546016
Synonyms: prop- 2- en- 1- yl2- amino- 1- (2- chlorobenzyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: C=CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccccc1Cl

STK546017
Synonyms: 7- (diethylamino)- 3- {2- [(E)- 2- phenylethenyl]- 1,3- thiazol- 4- yl}- 2H- chromen- 2- one
Smiles: CCN(c1ccc2c(c1)oc(=O)c(c2)c1csc(n1)/C=C/c1ccccc1)CC

STK546019
Synonyms: dibutyl{(phenylamino)[2- (trifluoromethyl)phenyl]methyl}phosphonate
Smiles: CCCCOP(=O)(C(c1ccccc1C(F)(F)F)Nc1ccccc1)OCCCC

STK546020
Synonyms: (2Z)- 2- [2- (pyridin- 2- yl)cyclohexylidene]hydrazinecarboxamide
Smiles: NC(=O)N/N=C\1/CCCCC1c1ccccn1

STK546021
Synonyms: 6- iodo- 3- (3- methylphenyl)- 2- [(2- methylprop- 2- en- 1- yl)sulfanyl]quinazolin- 4(3H)- one
Smiles: CC(=C)CSc1nc2ccc(cc2c(=O)n1c1cccc(c1)C)I

STK546023
Synonyms: N- (diphenylmethyl)- 2- {[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK546026
Synonyms: N- (5- chloropyridin- 2- yl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: Clc1ccc(nc1)NC(=O)c1ccc(=O)oc1

STK546028
Synonyms: N- (4- ethoxyphenyl)- 3- [4- (2- methylphenyl)piperazin- 1- yl]propanamide
Smiles: CCOc1ccc(cc1)NC(=O)CCN1CCN(CC1)c1ccccc1C

STK546029
Synonyms: 5- ({[2- (dimethylamino)ethyl]amino}methylidene)- 1,3- bis(2- methoxyphenyl)- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccccc1N1C(=O)/C(=C/NCCN(C)C)/C(=O)N(C1=S)c1ccccc1OC

STK546030
Synonyms: N'- {(E)- [3- (2,4- dinitrophenoxy)phenyl]methylidene}- 2- [(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(s1)C)N/N=C/c1cccc(c1)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

STK546031
Synonyms: 3- chloro- N- {1- [1- (2- fluorobenzyl)- 1H- benzimidazol- 2- yl]ethyl}benzamide
Smiles: Clc1cccc(c1)C(=O)NC(c1nc2c(n1Cc1ccccc1F)cccc2)C

STK546032
Synonyms: N- (5,6,7,8- tetrahydrothieno[2,3- b]quinolin- 3- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinolin- 3- amine
Smiles: C1CCc2c(C1)cc1c(n2)scc1Nc1csc2c1cc1CCCCc1n2

STK546033
Synonyms: 11- (3- bromophenyl)- N- (2,4- dimethylphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Brc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1C)C)c1ccccc1

STK546035
Synonyms: prop- 2- en- 1- yl5'- cyano- 6'- ({2- [(ethoxycarbonyl)amino]- 2- oxoethyl}sulfanyl)- 2'- methyl- 1',4'- dihydro- 3,4'- bipyridine- 3'- carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccnc1)C#N)SCC(=O)NC(=O)OCC

STK546037
Synonyms: 3- (2- methoxyphenyl)- 11- (4- methoxyphenyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccc(cc1)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)c1ccccc1OC

STK546038
Synonyms: 4- fluorobenzylN'- cyano- N- (4- ethoxyphenyl)carbamimidothioate
Smiles: CCOc1ccc(cc1)N/C(=N/C#N)/SCc1ccc(cc1)F

STK546039
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (4- ethylphenyl)methylidene]- 5- (morpholin- 4- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCc1ccc(cc1)/C=N/NC(=O)c1nnn(c1CN1CCOCC1)c1nonc1N

STK546040
Synonyms: 2- [(4- butyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl)sulfanyl]- N- (furan- 2- ylmethyl)acetamide
Smiles: CCCCc1nc2sc3c(c2c2c1CCC2)ncnc3SCC(=O)NCc1ccco1

STK546041
Synonyms: 5- (4- bromophenyl)- 1- (4- fluorophenyl)- 3- hydroxy- 4- [(4- methylphenyl)carbonyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Brc1ccc(cc1)C1C(=C(C(=O)N1c1ccc(cc1)F)O)C(=O)c1ccc(cc1)C

STK546042
Synonyms: 3- hydroxy- 1- (4- hydroxyphenyl)- 5- (2- nitrophenyl)- 4- (phenylcarbonyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Oc1ccc(cc1)N1C(=O)C(=C(C1c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)O

STK546043
Synonyms: [3- (4- {[(2- chlorophenyl)carbonyl]amino}pyridinium- 1- yl)quinoxalin- 2- yl][(4- methylphenyl)sulfonyl]azanide
Smiles: Cc1ccc(cc1)S(=O)(=O)[N-]c1nc2ccccc2nc1[n+]1ccc(cc1)NC(=O)c1ccccc1Cl

STK546044
Synonyms: methyl4- [3- (4- tert- butylphenyl)- 10- hexanoyl- 1- oxo- 2,3,4,5,10,11- hexahydro- 1H- dibenzo[b,e][1,4]diazepin- 11- yl]benzoate
Smiles: CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)C(=O)OC)C(=O)CC(C2)c1ccc(cc1)C(C)(C)C

STK546045
Synonyms: methyl4- [({[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(s1)SCc1ccccc1

STK546046
Synonyms: N- [3- cyano- 1- (4- methylphenyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl]- 4- methylbenzenesulfonamide
Smiles: N#Cc1c(NS(=O)(=O)c2ccc(cc2)C)n(c2c1nc1ccccc1n2)c1ccc(cc1)C

STK546047
Synonyms: 4- [(4- chlorophenyl)carbonyl]- 3- hydroxy- 5- (2- nitrophenyl)- 1- [3- (trifluoromethyl)phenyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Clc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1[N+](=O)[O-])c1cccc(c1)C(F)(F)F

STK546049
Synonyms: ethyl5- methoxy- 2- [(phenylsulfanyl)methyl]- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(CSc2ccccc2)oc2c1cc(OC)cc2

STK546051
Synonyms: 5- bromo- 2,3,4- trimethyl- N- (2,2,6,6- tetramethylpiperidin- 4- yl)benzamide
Smiles: O=C(c1cc(Br)c(c(c1C)C)C)NC1CC(C)(C)NC(C1)(C)C

STK546052
Synonyms: 3- (3- methylbenzyl)- 11- phenyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Cc1cccc(c1)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccccc1

STK546054
Synonyms: 5- ethyl- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCc1nc2sc3c(c2c2n1cnn2)CC(OC3)(C)C

STK546055
Synonyms: 4- [(E)- (2- {[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- phenyl- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)methyl]- 2- methoxyphenyl2- methyl- 3- nitrobenzoate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2c2ccccc2)c2nonc2N)ccc1OC(=O)c1cccc(c1C)[N+](=O)[O-]

STK546056
Synonyms: N- ethyl- 2- imino- 1- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: CCNC(=O)c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1

STK546057
Synonyms: 2- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCn1c(SCC(=C)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK546058
Synonyms: 1,1'- (oxydimethanediyl)bis(6- bromo- 2- methoxynaphthalene)
Smiles: COc1ccc2c(c1COCc1c(OC)ccc3c1ccc(c3)Br)ccc(c2)Br

STK546060
Synonyms: 3- fluorobenzylN'- cyano- N- (4- ethoxyphenyl)carbamimidothioate
Smiles: CCOc1ccc(cc1)N/C(=N/C#N)/SCc1cccc(c1)F

STK546061
Synonyms: 4- bromo- N- ({4- [(3- methoxypyrazin- 2- yl)sulfamoyl]phenyl}carbamothioyl)benzamide
Smiles: COc1nccnc1NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(cc1)Br

STK546062
Synonyms: N- (4- acetylphenyl)- 2- {[3- cyano- 6- (4- methoxyphenyl)- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)Nc2ccc(cc2)C(=O)C)c(c(c1)c1cccs1)C#N

STK546063
Synonyms: ethyl4- [3- (3- methylphenyl)- 4- oxo- 3,4- dihydro- 11H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 11- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c2c1ncn(c2=O)c1cccc(c1)C

STK546064
Synonyms: ethyl4- (11- benzyl- 4- oxo- 4,11- dihydro- 3H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 3- yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1

STK546065
Synonyms: ethyl(1R,2S,3S)- 3- [(4- chlorophenyl)carbamoyl]- 1- cyano- 2- (furan- 2- yl)- 1,2,3,10b- tetrahydropyrrolo[2,1- a]isoquinoline- 1- carboxylate
Smiles: CCOC(=O)[C@]1(C#N)[C@H](c2ccco2)[C@H](N2C1c1ccccc1C=C2)C(=O)Nc1ccc(cc1)Cl

STK546066
Synonyms: N- (2- {(2Z)- 2- [1- (3- cyanopropyl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]hydrazinyl}- 2- oxoethyl)- 3,4,5- trimethoxybenzamide(non- preferredname)
Smiles: N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cc(OC)c(c(c2)OC)OC)/c2c1cccc2

STK546067
Synonyms: ethyl1- (3- {[(4- bromophenyl)sulfonyl]amino}- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl)piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)C1=C(NS(=O)(=O)c2ccc(cc2)Br)C(=O)c2c(C1=O)cccc2

STK546068
Synonyms: 2- [(E)- 2- (2,4- dichlorophenyl)ethenyl]- 3- (2- phenylethyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(c(c1)Cl)/C=C/c1nc2ccccc2c(=O)n1CCc1ccccc1

STK546069
Synonyms: methyl(1R,2S,3S)- 3- [(4- chlorophenyl)carbamoyl]- 1- cyano- 2- (3,4- dimethoxyphenyl)- 1,2,3,10b- tetrahydropyrrolo[2,1- a]isoquinoline- 1- carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@H](c2ccc(c(c2)OC)OC)[C@H](N2C1c1ccccc1C=C2)C(=O)Nc1ccc(cc1)Cl

STK546071
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 10- methyl- 8,11- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccc(cc1Cl)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2)c(nn1c1ccccc1)C

STK546072
Synonyms: 11- (3- fluorophenyl)- 3- (4- methoxyphenyl)- 10- (phenylcarbonyl)- 2,3,4,5,10,11- hexahydro- 1H- dibenzo[b,e][1,4]diazepin- 1- one
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccc(c1)F)C(=O)c1ccccc1

STK546073
Synonyms: 3- [2- (2- bromo- 4- methylphenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccc(cc1Br)C

STK546074
Synonyms: 4- {[2- (4- nitrophenyl)quinazolin- 4- yl]amino}benzoicacid
Smiles: [O-][N+](=O)c1ccc(cc1)c1nc(Nc2ccc(cc2)C(=O)O)c2c(n1)cccc2

STK546075
Synonyms: 1- (1H- benzimidazol- 2- ylmethoxy)- 3- (thiophen- 2- yl)quinoxalin- 2(1H)- one4- oxide
Smiles: [O-][n+]1c(c2cccs2)c(=O)n(c2c1cccc2)OCc1nc2c([nH]1)cccc2

STK546076
Synonyms: (3E)- 3- (2- {[(3- methoxyphenyl)amino](oxo)acetyl}hydrazinylidene)- N- (2,4,6- trimethylphenyl)butanamide
Smiles: COc1cccc(c1)NC(=O)C(=O)N/N=C(/CC(=O)Nc1c(C)cc(cc1C)C)\C

STK546078
Synonyms: 1- [2- (diethylamino)ethyl]- 3- hydroxy- 4- [(4- methylphenyl)carbonyl]- 5- phenyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CCN(CCN1C(c2ccccc2)C(=C(C1=O)O)C(=O)c1ccc(cc1)C)CC

STK546079
Synonyms: (10aS)- 2- [4- (pentafluorophenoxy)phenyl]- 10,10a- dihydroimidazo[1,5- b]isoquinoline- 1,3(2H,5H)- dione
Smiles: O=C1N2Cc3ccccc3C[C@H]2C(=O)N1c1ccc(cc1)Oc1c(F)c(F)c(c(c1F)F)F

STK546082
Synonyms: N,N- diethyl- 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3)CC

STK546083
Synonyms: 4- [(4- bromophenyl)carbonyl]- 3- hydroxy- 5- [4- (propan- 2- yl)phenyl]- 1- (prop- 2- en- 1- yl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: C=CCN1C(c2ccc(cc2)C(C)C)C(=C(C1=O)O)C(=O)c1ccc(cc1)Br

STK546084
Synonyms: N- [(4- phenyl- 1,3- thiazol- 2- yl)carbamothioyl]pyridine- 3- carboxamide
Smiles: S=C(NC(=O)c1cccnc1)Nc1scc(n1)c1ccccc1

STK546085
Synonyms: 3- (4- bromophenyl)- 5- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Brc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK546086
Synonyms: 2- (4- methoxyphenyl)- 4- phenoxyquinazoline
Smiles: COc1ccc(cc1)c1nc(Oc2ccccc2)c2c(n1)cccc2

STK546088
Synonyms: [3- (4- benzylpiperazin- 1- yl)quinoxalin- 2- yl][(4- chlorophenyl)sulfonyl]acetonitrile
Smiles: N#CC(S(=O)(=O)c1ccc(cc1)Cl)c1nc2ccccc2nc1N1CCN(CC1)Cc1ccccc1

STK546089
Synonyms: 1- [4- (acetylamino)phenyl]- 2- amino- N- hexyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)NC(=O)C

STK546091
Synonyms: 6- ethyl- 2- ({[(2- iodophenyl)carbonyl]carbamothioyl}amino)- 4,5,6,7- tetrahydrothieno[2,3- c]pyridine- 3- carboxamide
Smiles: CCN1CCc2c(C1)sc(c2C(=O)N)NC(=S)NC(=O)c1ccccc1I

STK546093
Synonyms: methyl2- [(4bS,7aR,8S)- 5,7- dioxo- 8- (phenylcarbonyl)- 4b,5,7a,8- tetrahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 6(7H)- yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2C=CC=N1)C(=O)c1ccccc1

STK546096
Synonyms: N,N'- bis(3,4- dimethoxybenzyl)propane- 1,2- diamine
Smiles: COc1ccc(cc1OC)CNCC(NCc1ccc(c(c1)OC)OC)C

STK546097
Synonyms: 11- (4- tert- butylphenyl)- N- (4- chloro- 3- nitrophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1nn(c2c1C(c1ccc(cc1)C(C)(C)C)n1c(=N2)c(Nc2ccc(c(c2)[N+](=O)[O-])Cl)nc2c1cccc2)c1ccccc1

STK546099
Synonyms: 2- {[3- cyano- 6- phenyl- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- (5- methyl- 1,3- thiazol- 2- yl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ncc(s2)C)nc(cc1c1cccs1)c1ccccc1

STK546100
Synonyms: 4- [(E)- {(2E)- [amino(4- amino- 1,2,5- oxadiazol- 3- yl)methylidene]hydrazinylidene}methyl]- 2,6- dimethoxyphenylacetate
Smiles: COc1cc(/C=N/N=C(\c2nonc2N)/N)cc(c1OC(=O)C)OC

STK546102
Synonyms: (8S,8aR,11aS)- 8- [(4- methoxyphenyl)carbonyl]- 10- (naphthalen- 2- yl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2)cccc3

STK546103
Synonyms: (8S,8aR,11aS)- N- (4- chlorophenyl)- 10- (2,4- dimethylphenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)C)cccc3

STK546104
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [4- (benzyloxy)- 3- bromo- 5- methoxyphenyl]methylidene}- 5- (methoxymethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cc(Br)c(c(c1)OC)OCc1ccccc1

STK546105
Synonyms: {[5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}aceticacid
Smiles: OC(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK546106
Synonyms: 3- {4- (4- bromophenyl)- 5- [(3- fluorobenzyl)sulfanyl]- 4H- 1,2,4- triazol- 3- yl}pyridine
Smiles: Brc1ccc(cc1)n1c(SCc2cccc(c2)F)nnc1c1cccnc1

STK546107
Synonyms: 2- methylpropyl4- ({5- [(E)- (2- {[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- methyl- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)methyl]- 2- methoxybenzyl}oxy)benzoate
Smiles: COc1ccc(cc1COc1ccc(cc1)C(=O)OCC(C)C)/C=N/NC(=O)c1nnn(c1C)c1nonc1N

STK546108
Synonyms: 5- ethyl- 3- (methylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCc1nc2sc3c(c2c2n1c(SC)nn2)CCCC3

STK546110
Synonyms: 3- methyl- 4- oxo- 6- phenylcyclohexane- 1,1,2,2- tetracarbonitrile
Smiles: CC1C(=O)CC(C(C1(C#N)C#N)(C#N)C#N)c1ccccc1

STK546111
Synonyms: 2- [(4- methoxyphenyl)amino]- 2- oxoethylN'- cyano- N- (2- fluorophenyl)carbamimidothioate
Smiles: N#C/N=C(/Nc1ccccc1F)\SCC(=O)Nc1ccc(cc1)OC

STK546112
Synonyms: (8S,8aR,11aS)- 8- [(4- chlorophenyl)carbonyl]- 10- phenyl- 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)c1ccccc1)cccc3

STK546113
Synonyms: 5- (4- bromophenyl)- 4- [(4- chlorophenyl)carbonyl]- 1- (4- fluorophenyl)- 3- hydroxy- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Brc1ccc(cc1)C1C(=C(C(=O)N1c1ccc(cc1)F)O)C(=O)c1ccc(cc1)Cl

STK546114
Synonyms: propan- 2- yl2- amino- 1- (2- methoxybenzyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COc1ccccc1Cn1c(N)c(c2c1nc1ccccc1n2)C(=O)OC(C)C

STK546115
Synonyms: 2,5- bis[4- (octyloxy)phenyl][1,3]thiazolo[5,4- d][1,3]thiazole
Smiles: CCCCCCCCOc1ccc(cc1)c1nc2c(s1)nc(s2)c1ccc(cc1)OCCCCCCCC

STK546116
Synonyms: ethyl5- methoxy- 3- ({[3- (trifluoromethyl)phenyl]carbonyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cccc(c1)C(F)(F)F)cc(cc2)OC

STK546117
Synonyms: 1- {3'- (2- nitrophenyl)- 2- phenyl- 4- [4- (propan- 2- yl)phenyl]- 2H,3'H- spiro[phthalazine- 1,2'- [1,3,4]thiadiazol]- 5'- yl}ethanone
Smiles: CC(c1ccc(cc1)C1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1ccccc1[N+](=O)[O-])C(=O)C)C

STK546118
Synonyms: 2- [(E)- 2- (4- chlorophenyl)ethenyl]- 6- iodo- 3- (naphthalen- 1- yl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1cccc2c1cccc2)I

STK546119
Synonyms: N'- [(E)- (4- butoxyphenyl)methylidene]- 4- [(5- methyl- 3- nitro- 1H- pyrazol- 1- yl)methyl]benzohydrazide
Smiles: CCCCOc1ccc(cc1)/C=N/NC(=O)c1ccc(cc1)Cn1nc(cc1C)[N+](=O)[O-]

STK546120
Synonyms: 2- amino- N- (2- methoxyphenyl)- 1- (2- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COc1ccccc1NC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccccc1

STK546121
Synonyms: 5- (biphenyl- 4- yl)- 2- (5- bromo- 2- methoxyphenyl)- 4- phenyl- 1H- imidazole
Smiles: COc1ccc(cc1c1nc(c([nH]1)c1ccc(cc1)c1ccccc1)c1ccccc1)Br

STK546122
Synonyms: 2- (dimethylamino)ethyl(3,4- dimethyl- 2- thioxo- 2,3- dihydro- 1,3- thiazol- 5- yl)carbamate
Smiles: CN(CCOC(=O)Nc1sc(=S)n(c1C)C)C

STK546126
Synonyms: 3- [2- (4- bromophenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccc(cc1)Br

STK546127
Synonyms: 4- butyl- N,N- dipropyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: CCCCc1nc2sc3c(c2c2c1CCC2)ncnc3N(CCC)CCC

STK546128
Synonyms: N,N'- naphthalene- 1,4- diylidenebis(4- methylaniline)
Smiles: Cc1ccc(cc1)/N=C\1/C=C/C(=N/c2ccc(cc2)C)/c2c1cccc2

STK546129
Synonyms: 3- (2- bromophenoxy)- 8- {[cyclohexyl(methyl)amino]methyl}- 7- hydroxy- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: CN(C1CCCCC1)Cc1c(O)ccc2c1oc(c(c2=O)Oc1ccccc1Br)C(F)(F)F

STK546130
Synonyms: N- (3,4- difluorophenyl)- 2- ({5- [(naphthalen- 1- ylmethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)F)F)CSc1nnc(s1)SCc1cccc2c1cccc2

STK546131
Synonyms: (3aR,4S,9aR,9bS)- 2- (3- chlorophenyl)- 4- [(4- chlorophenyl)carbonyl]- 8- (phenylcarbonyl)- 3a,4,9a,9b- tetrahydro- 1H- pyrrolo[3,4- a]indolizine- 1,3(2H)- dione
Smiles: Clc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(cc2)Cl)C=CC(=C1)C(=O)c1ccccc1

STK546132
Synonyms: N- (3,4- dichlorophenyl)- 11- (3- fluorophenyl)- 1- oxo- 3- phenyl- 1,2,3,4,5,11- hexahydro- 10H- dibenzo[b,e][1,4]diazepine- 10- carboxamide
Smiles: Fc1cccc(c1)C1C2=C(Nc3c(N1C(=O)Nc1ccc(c(c1)Cl)Cl)cccc3)CC(CC2=O)c1ccccc1

STK546134
Synonyms: (2E)- N- {[4- (carbamimidoylsulfamoyl)phenyl]carbamothioyl}- 3- phenylprop- 2- enamide
Smiles: S=C(Nc1ccc(cc1)S(=O)(=O)NC(=N)N)NC(=O)/C=C/c1ccccc1

STK546135
Synonyms: ethyl(3Z)- 3- {2- [(2- {[(4- fluorophenyl)carbonyl]amino}phenyl)carbonyl]hydrazinylidene}- 2- oxo- 2,3- dihydro- 1H- indole- 1- carboxylate
Smiles: CCOC(=O)N1c2ccccc2/C(=N/NC(=O)c2ccccc2NC(=O)c2ccc(cc2)F)/C1=O

STK546136
Synonyms: methyl(3,5- dichloro- 1H- 1,2,4- triazol- 1- yl)acetate
Smiles: COC(=O)Cn1nc(nc1Cl)Cl

STK546137
Synonyms: 7- {[2- (4- benzylpiperazin- 1- yl)ethyl]amino}- 2- methyl- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: Cc1ccc2c(c1)[nH]c1c(o2)cc(c2c1c(=O)c1c(c2=O)cccc1)NCCN1CCN(CC1)Cc1ccccc1

STK546138
Synonyms: 3- [3- (2,4- dimethylphenoxy)propyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccc(cc1C)C

STK546139
Synonyms: 4- chlorophenyl2- (4- chlorophenyl)- 6- methylquinoline- 4- carboxylate
Smiles: Clc1ccc(cc1)OC(=O)c1cc(nc2c1cc(C)cc2)c1ccc(cc1)Cl

STK546140
Synonyms: 2- (4- methoxyphenyl)- 3- (2- phenoxyethyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccccc1

STK546141
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {4- [(2- fluorobenzyl)oxy]phenyl}methylidene]- 5- [(phenylamino)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Nc1nonc1n1nnc(c1CNc1ccccc1)C(=O)N/N=C/c1ccc(cc1)OCc1ccccc1F

STK546142
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [4- (benzyloxy)phenyl]methylidene}- 5- (phenoxymethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1COc1ccccc1)c1nonc1N)N/N=C/c1ccc(cc1)OCc1ccccc1

STK546143
Synonyms: N,N- dibutyl- 2- [(4- oxo- 3- propyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCCn1c(SCC(=O)N(CCCC)CCCC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK546144
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {4- [(2- methylbenzyl)oxy]phenyl}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)OCc1ccccc1C

STK546145
Synonyms: 2- [(4- amino- 7- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (pyridin- 2- yl)acetamide
Smiles: CC1CCc2c(C1)sc1c2c(N)nc(n1)SCC(=O)Nc1ccccn1

STK546146
Synonyms: N'~1~- [(3E)- 1- (2- methylpropyl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]- N'~7~- [(3Z)- 1- (2- methylpropyl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]heptanedihydrazide
Smiles: CC(CN1C(=O)/C(=N/NC(=O)CCCCCC(=O)N/N=C\2/c3ccccc3N(C2=O)CC(C)C)/c2c1cccc2)C

STK546148
Synonyms: 4- (biphenyl- 4- yl)- 2- (5- bromo- 2,4- dimethoxyphenyl)- 5- phenyl- 1H- imidazole
Smiles: COc1cc(OC)c(cc1c1nc(c([nH]1)c1ccccc1)c1ccc(cc1)c1ccccc1)Br

STK546149
Synonyms: 2- {[4- (4- ethoxyphenyl)- 5- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1E,2E)- 3- (furan- 2- yl)- 2- methylprop- 2- en- 1- ylidene]acetohydrazide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/C(=C/c2ccco2)/C)nnc1c1ccccc1

STK546150
Synonyms: 3- (benzylsulfanyl)- 5- ethyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCc1nc2sc3c(c2c2n1c(SCc1ccccc1)nn2)CCCC3

STK546151
Synonyms: 4- [4- (2,5- dimethoxyphenyl)- 5- sulfanyl- 4H- 1,2,4- triazol- 3- yl]benzene- 1,3- diol
Smiles: COc1ccc(cc1n1c(S)nnc1c1ccc(cc1O)O)OC

STK546152
Synonyms: 2- [(4- oxo- 3- propyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (2- phenylethyl)acetamide
Smiles: CCCn1c(SCC(=O)NCCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK546153
Synonyms: N- (1,3- benzothiazol- 2- yl)- N'- butylbutanediamide
Smiles: CCCCNC(=O)CCC(=O)Nc1nc2c(s1)cccc2

STK546154
Synonyms: (1'R,2'R)- 1'- [(4- chlorophenyl)carbonyl]- 2'- (4- methoxyphenyl)- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: COc1ccc(cc1)[C@H]1[C@H](C(=O)c2ccc(cc2)Cl)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1

STK546155
Synonyms: 3- [2- (2- fluorophenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccccc1F

STK546157
Synonyms: (8S,8aR,11aS)- 10- (4- nitrophenyl)- 8- [(3- nitrophenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@@H](C(=O)c1cccc(c1)[N+](=O)[O-])N1C2c2ccccc2C=C1

STK546160
Synonyms: ethyl{[5- (4- methoxybenzyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nnc(n1c1ccccc1)Cc1ccc(cc1)OC

STK546161
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(diethylamino)methyl]- N'- {(E)- [5- (2- methyl- 4- nitrophenyl)furan- 2- yl]methylidene}- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(o1)c1ccc(cc1C)[N+](=O)[O-])CC

STK546163
Synonyms: (3E)- 3- [(4- methoxyphenyl)imino]- 1- [(4- phenylpiperazin- 1- yl)methyl]- 1,3- dihydro- 2H- indol- 2- one
Smiles: COc1ccc(cc1)/N=C\1/C(=O)N(c2c1cccc2)CN1CCN(CC1)c1ccccc1

STK546164
Synonyms: 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK546165
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- ethoxy- 4- [(4- methylbenzyl)oxy]phenyl}methylidene]- 5- methyl- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2C)c2nonc2N)ccc1OCc1ccc(cc1)C

STK546166
Synonyms: 3- [2- (3- chlorophenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1cccc(c1)Cl

STK546167
Synonyms: N- tert- butyl- 5- (4- {[4- methoxy- 3- (piperidin- 1- ylcarbonyl)phenyl]amino}phthalazin- 1- yl)- 2- methylbenzenesulfonamide
Smiles: COc1ccc(cc1C(=O)N1CCCCC1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NC(C)(C)C)C

STK546168
Synonyms: 5- (4- {[4- methoxy- 3- (piperidin- 1- ylcarbonyl)phenyl]amino}phthalazin- 1- yl)- 2- methyl- N- (propan- 2- yl)benzenesulfonamide
Smiles: COc1ccc(cc1C(=O)N1CCCCC1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NC(C)C)C

STK546169
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- (3- chlorophenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCC(OC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)Cl)C

STK546170
Synonyms: 2- {[6- amino- 3,5- dicyano- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- (2,3- dichlorophenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2cccc(c2Cl)Cl)nc(c(c1c1cccs1)C#N)N

STK546171
Synonyms: (3aR,6aS)- 5- (4- acetylphenyl)- 3- (4- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccc(cc1)[N+](=O)[O-]

STK546173
Synonyms: 2- [(4- amino- 6,8- diphenyl- 5,8- dihydro- 6H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1

STK546175
Synonyms: 2- [(3- butyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (2- methylphenyl)acetamide
Smiles: CCCCn1c(SCC(=O)Nc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK546177
Synonyms: 3- (2- methoxyphenyl)- 11- (4- methylphenyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccccc1n1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)C

STK546178
Synonyms: N- {(1E)- 1- (3,4- diethoxyphenyl)- 3- [(2- hydroxyethyl)amino]- 3- oxoprop- 1- en- 2- yl}- 4- methoxybenzamide
Smiles: OCCNC(=O)/C(=C\c1ccc(c(c1)OCC)OCC)/NC(=O)c1ccc(cc1)OC

STK546179
Synonyms: 3- [3- (4- chloro- 2,6- dimethylphenoxy)propyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1c(C)cc(cc1C)Cl

STK546180
Synonyms: 2- methyl- N'- {[(5- methyl- 4- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetyl}benzohydrazide
Smiles: O=C(NNC(=O)c1ccccc1C)CSc1nnc(n1c1ccccc1)C

STK546181
Synonyms: N- (2- {(2Z)- 2- [1- (3- cyanopropyl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]hydrazinyl}- 2- oxoethyl)- 4- ethoxybenzamide(non- preferredname)
Smiles: N#CCCCN1c2ccccc2/C(=N/NC(=O)CNC(=O)c2ccc(cc2)OCC)/C1=O

STK546182
Synonyms: [(4- methylphenyl)sulfonyl]{3- [3- ({[(4- methylphenyl)sulfonyl]amino}methyl)pyridinium- 1- yl]quinoxalin- 2- yl}azanide
Smiles: Cc1ccc(cc1)S(=O)(=O)NCc1ccc[n+](c1)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(cc1)C

STK546183
Synonyms: (3aR,4S,9aR,9bS)- 4- [(3- bromo- 4- methoxyphenyl)carbonyl]- 2- phenyl- 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)c1ccccc1)C(=O)c1ccccc1

STK546184
Synonyms: 5- (3,4- dimethoxyphenyl)- 3- hydroxy- 4- [(4- methylphenyl)carbonyl]- 1- (prop- 2- en- 1- yl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: C=CCN1C(c2ccc(c(c2)OC)OC)C(=C(C1=O)O)C(=O)c1ccc(cc1)C

STK546185
Synonyms: 4,5- bis(4- chlorophenyl)- 2- (2,6- dichlorophenyl)- 1H- imidazole
Smiles: Clc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)Cl)c1c(Cl)cccc1Cl

STK546186
Synonyms: 2- butyl- 3- methyl- 1- [4- (4- methylbenzyl)piperazin- 1- yl]pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCCCc1c(C)c(C#N)c2n(c1N1CCN(CC1)Cc1ccc(cc1)C)c1ccccc1n2

STK546187
Synonyms: 2- amino- 1- (3,4- dimethylphenyl)- N- (2- methoxyphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COc1ccccc1NC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)C)C

STK546188
Synonyms: ethyl5- bromo- 3- {[(2- fluorophenyl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1ccccc1F)cc(cc2)Br

STK546189
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [4- (benzyloxy)phenyl]methylidene}- 5- [(phenylamino)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CNc1ccccc1)c1nonc1N)N/N=C/c1ccc(cc1)OCc1ccccc1

STK546190
Synonyms: N- (3- nitrophenyl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=c1ccc(co1)C(=O)Nc1cccc(c1)[N+](=O)[O-]

STK546192
Synonyms: 4- [3- acetyl- 2- (4- chlorophenyl)- 4- hydroxy- 5- oxo- 2,5- dihydro- 1H- pyrrol- 1- yl]benzoicacid
Smiles: Clc1ccc(cc1)C1N(c2ccc(cc2)C(=O)O)C(=O)C(=C1C(=O)C)O

STK546193
Synonyms: 4- amino- 2- (pentafluoroethyl)- 6- phenoxyquinoline- 3- carbonitrile
Smiles: N#Cc1c(N)c2cc(ccc2nc1C(C(F)(F)F)(F)F)Oc1ccccc1

STK546195
Synonyms: methyl3- {[hydroxy(diphenyl)acetyl]amino}- 5- methyl- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(c1ccccc1)(c1ccccc1)O)cc(cc2)C

STK546197
Synonyms: 4- amino- N'- [(1E)- 1- (3,4- dimethoxyphenyl)ethylidene]- 1,2,5- oxadiazole- 3- carbohydrazonamide
Smiles: COc1cc(ccc1OC)/C(=N/N=C(/c1nonc1N)\N)/C

STK546198
Synonyms: 3- [(4- chlorophenyl)sulfonyl]- 1- [2- (4- methoxyphenyl)ethyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: COc1ccc(cc1)CCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)Cl

STK546199
Synonyms: 3- imino- 5- (2- methoxyphenyl)- 1,7- dimethyl- 2,6- dioxabicyclo[2.2.2]octane- 4,8,8- tricarbonitrile
Smiles: N#CC12C(=N)OC(OC1c1ccccc1OC)(C(C2(C#N)C#N)C)C

STK546200
Synonyms: 2- (pyrrolidin- 1- yl)- 1- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)ethanone
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)CN1CCCC1

STK546201
Synonyms: N'- [(2- bromo- 4- methylphenoxy)acetyl]- 2- hydroxy- 3- methylbenzohydrazide
Smiles: O=C(COc1ccc(cc1Br)C)NNC(=O)c1cccc(c1O)C

STK546203
Synonyms: N'- [(E)- {3- ethoxy- 4- [(4- methylbenzyl)oxy]phenyl}methylidene]- 4- [(5- methyl- 3- nitro- 1H- pyrazol- 1- yl)methyl]benzohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2ccc(cc2)Cn2nc(cc2C)[N+](=O)[O-])ccc1OCc1ccc(cc1)C

STK546204
Synonyms: 2- methyl- 7- {[2- (4- phenylpiperazin- 1- yl)ethyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: Cc1ccc2c(c1)[nH]c1c(o2)cc(c2c1c(=O)c1c(c2=O)cccc1)NCCN1CCN(CC1)c1ccccc1

STK546205
Synonyms: 1- (4- bromophenyl)- 3- [(4- bromophenyl)amino]- 5- (3- nitrophenyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Brc1ccc(cc1)NC1=CC(N(C1=O)c1ccc(cc1)Br)c1cccc(c1)[N+](=O)[O-]

STK546206
Synonyms: {1- (4- nitrophenyl)- 6- phenyl- 8- [4- (propan- 2- yl)phenyl]- 4- thia- 1,2,6,7- tetraazaspiro[4.5]deca- 2,7,9- trien- 3- yl}(phenyl)methanone
Smiles: CC(c1ccc(cc1)C1=NN(C2(C=C1)SC(=NN2c1ccc(cc1)[N+](=O)[O-])C(=O)c1ccccc1)c1ccccc1)C

STK546207
Synonyms: (8S,8aR,11aS)- 8- [(4- methoxyphenyl)carbonyl]- 10- (4- methylphenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C)cccc3

STK546208
Synonyms: (5E)- 1- (4- ethoxyphenyl)- 5- [(5- methyl- 3- oxo- 1- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2c(=O)[nH]n(c2C)c2ccccc2)/C1=O

STK546209
Synonyms: 2- (1,3- benzothiazol- 2- ylsulfanyl)- N'- [(Z)- (3,5- dibromo- 2,4- dihydroxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nc2c(s1)cccc2)N/N=C\c1cc(Br)c(c(c1O)Br)O

STK546210
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (2,6- dichlorophenyl)methylidene]- 5- [(phenylamino)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CNc1ccccc1)c1nonc1N)N/N=C/c1c(Cl)cccc1Cl

STK546211
Synonyms: 1- butyl- N- [4- (4,4- dimethyl- 3,5- diphenyl- 4,5- dihydro- 1H- pyrazol- 1- yl)benzyl]- 1H- benzimidazol- 2- amine
Smiles: CCCCn1c(NCc2ccc(cc2)N2N=C(C(C2c2ccccc2)(C)C)c2ccccc2)nc2c1cccc2

STK546212
Synonyms: 9- (benzylsulfanyl)- 8- (2- methylprop- 2- en- 1- yl)- 5,8- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7(6H)- one
Smiles: CC(=C)Cn1c(SCc2ccccc2)nc2c(c1=O)c1CCc3c(c1s2)cccc3

STK546213
Synonyms: (8S,8aR,11aS)- 10- (4- chlorophenyl)- 8- [(3- nitrophenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2cccc(c2)[N+](=O)[O-])C=Cc2c1cccc2

STK546214
Synonyms: N- {1,1,1,3,3,3- hexafluoro- 2- [(3- methyl- 1- phenyl- 1H- pyrazol- 5- yl)amino]propan- 2- yl}benzamide
Smiles: Cc1cc(n(n1)c1ccccc1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)c1ccccc1

STK546216
Synonyms: 2- amino- N- (2- phenylethyl)- 1- (tetrahydrofuran- 2- ylmethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: O=C(c1c2nc3ccccc3nc2n(c1N)CC1CCCO1)NCCc1ccccc1

STK546217
Synonyms: 4- acetyl- 5- [4- (dimethylamino)phenyl]- 3- hydroxy- 1- [3- (morpholin- 4- yl)propyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CC(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)N(C)C)CCCN1CCOCC1

STK546218
Synonyms: 3- butyl- 11- (4- chloro- 3- nitrophenyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)[N+](=O)[O-])Cl

STK546219
Synonyms: 3- (heptylsulfanyl)- 5- phenyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCCCCCSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1

STK546220
Synonyms: butyl2- amino- 1- (2,5- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cc(C)ccc1C

STK546221
Synonyms: 3- (2- chlorophenyl)- 6- hydroxy- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)- 2- thioxo- 2,3- dihydropyrimidin- 4(1H)- one
Smiles: Clc1ccccc1n1c(=S)[nH]c(c(c1=O)C1NCCc2c1cccc2)O

STK546223
Synonyms: (3aR,4S,9aR,9bS)- 4- [(3- bromo- 4- methoxyphenyl)carbonyl]- 2- (2- chlorophenyl)- 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)c1ccccc1Cl)C(=O)c1ccccc1

STK546224
Synonyms: 2- amino- 1- (4- fluorobenzyl)- N- (1- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Fc1ccc(cc1)Cn1c(N)c(c2c1nc1ccccc1n2)C(=O)NC(c1ccccc1)C

STK546226
Synonyms: 4- fluorobenzylN'- cyano- N- propan- 2- ylcarbamimidothioate
Smiles: CC(N/C(=N/C#N)/SCc1ccc(cc1)F)C

STK546227
Synonyms: (1'S,2'S,3S)- N- (4- chlorophenyl)- 2- oxo- 2'- (phenylcarbonyl)- 1,1',2,2'- tetrahydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinoline]- 1'- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2c3ccccc3C=CC2[C@@]2([C@@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1

STK546228
Synonyms: 1- (1- benzyl- 5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- [4- (2- methoxyphenyl)piperazin- 1- yl]ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)c1ccccc1OC)c(n2Cc1ccccc1)C

STK546229
Synonyms: N'- [(E)- (2- bromophenyl)methylidene]- 2- (5- methyl- 3- nitro- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1nc(cc1C)[N+](=O)[O-])N/N=C/c1ccccc1Br

STK546230
Synonyms: methyl(1S,2S,3S)- 2- (4- bromophenyl)- 3- carbamoyl- 1- cyano- 1,2,3,10b- tetrahydropyrrolo[2,1- a]isoquinoline- 1- carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@H](c2ccc(cc2)Br)[C@H](N2C1c1ccccc1C=C2)C(=O)N

STK546231
Synonyms: N- ({4- [(3- methoxypyrazin- 2- yl)sulfamoyl]phenyl}carbamothioyl)thiophene- 2- carboxamide
Smiles: COc1nccnc1NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1cccs1

STK546232
Synonyms: 2- imino- N- (3- methoxypropyl)- 1- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: COCCCNC(=O)c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1

STK546235
Synonyms: ethyl2- [(4- benzylpiperazin- 1- yl)methyl]- 6- bromo- 5- hydroxy- 1- phenyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(O)c(cc2n(c1CN1CCN(CC1)Cc1ccccc1)c1ccccc1)Br

STK546236
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(3- bromo- 4- methoxyphenyl)carbonyl]- 2'- (thiophen- 2- ylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1ccc(cc1Br)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccs1)C(=O)Nc1c2cccc1)cccc3

STK546238
Synonyms: N- (4- methylphenyl)- 2- [(4- oxo- 3- propyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCCn1c(SCC(=O)Nc2ccc(cc2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK546239
Synonyms: N- [2- chloro- 5- (trifluoromethyl)phenyl]- 2- {[4- (4- ethoxyphenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)nnc1c1cccnc1

STK546240
Synonyms: (8'S,8a'R)- 6'- amino- 8'- (pyridin- 4- yl)- 8',8a'- dihydro- 1'H- spiro[1,3- dioxolane- 2,2'- naphthalene]- 5',7',7'(3'H)- tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCC1(C2)OCCO1)c1ccncc1)(C#N)C#N

STK546243
Synonyms: 2- (1- acetyl- 4- oxo- 1,4- dihydro- 2H- 3,1- benzoxazin- 2- yl)phenylacetate
Smiles: CC(=O)Oc1ccccc1C1OC(=O)c2c(N1C(=O)C)cccc2

STK546245
Synonyms: ethyl2- [({[3- cyano- 6- phenyl- 4- (trifluoromethyl)pyridin- 2- yl]sulfanyl}acetyl)amino]- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nc(cc(c2C#N)C(F)(F)F)c2ccccc2)sc2c1CCC2

STK546246
Synonyms: 4- chloro- N- [4- (4,4- dimethyl- 3,5- diphenyl- 4,5- dihydro- 1H- pyrazol- 1- yl)benzyl]aniline
Smiles: Clc1ccc(cc1)NCc1ccc(cc1)N1N=C(C(C1c1ccccc1)(C)C)c1ccccc1

STK546248
Synonyms: (8S,8aR,11aS)- 10- (3- chlorophenyl)- 8- [(4- methoxyphenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)Cl)cccc3

STK546250
Synonyms: 3- [(4- chlorophenyl)sulfonyl]- 1- hexyl- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: CCCCCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)Cl

STK546251
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- (2- chlorobenzyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccccc1Cl)C

STK546252
Synonyms: N- (2,4- dichlorophenyl)- 10- methyl- 8,11- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Clc1ccc(c(c1)Cl)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1)C)c1ccccc1

STK546253
Synonyms: 6- amino- 4- (cyclohex- 2- en- 1- yl)- 3- {[(4- methylphenyl)sulfanyl]methyl}- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1C1CCCC=C1)c(CSc1ccc(cc1)C)[nH]n2

STK546255
Synonyms: 3- [(diethylamino)methyl]- 2- methylquinolin- 4(1H)- one
Smiles: CCN(Cc1c(C)[nH]c2c(c1=O)cccc2)CC

STK546256
Synonyms: 1- ethoxy- 3- (4- methylphenyl)quinoxalin- 2(1H)- one4- oxide
Smiles: CCOn1c(=O)c(c2ccc(cc2)C)[n+](c2c1cccc2)[O-]

STK546257
Synonyms: N- {2- [(6- bromo- 1,3- benzothiazol- 2- yl)amino]- 1,1,1,3,3,3- hexafluoropropan- 2- yl}- 3- phenylpropanamide
Smiles: O=C(NC(C(F)(F)F)(C(F)(F)F)Nc1nc2c(s1)cc(cc2)Br)CCc1ccccc1

STK546258
Synonyms: 1- (4- fluorophenyl)- 3- hydroxy- 5- (4- nitrophenyl)- 4- (phenylcarbonyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Fc1ccc(cc1)N1C(c2ccc(cc2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccccc1

STK546259
Synonyms: (5Z)- 3- (naphthalen- 2- yl)- 5- (pyridin- 3- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2cccnc2)/C(=O)N1c1ccc2c(c1)cccc2

STK546260
Synonyms: 3- (1,3- benzodioxol- 5- yl)- 3- (4- methoxyphenyl)propanenitrile
Smiles: N#CCC(c1ccc2c(c1)OCO2)c1ccc(cc1)OC

STK546261
Synonyms: 2- (butylsulfanyl)- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCn1c(SCCCC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK546262
Synonyms: N'- [(1Z)- 3- hydroxy- 5,5- dimethylcyclohex- 2- en- 1- ylidene]- 2- phenoxyacetohydrazide
Smiles: O=C(N/N=C/1\C=C(O)CC(C1)(C)C)COc1ccccc1

STK546263
Synonyms: methyl4- {10- methyl- 6- [(4- methylphenyl)amino]- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(cc1)C)nc1c2cccc1

STK546265
Synonyms: 2- (heptylsulfanyl)- 6- iodo- 3- (2- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: CCCCCCCSc1nc2ccc(cc2c(=O)n1c1ccccc1OC)I

STK546266
Synonyms: 5- [(4- iodophenyl)amino]- 3- (4- nitrobenzyl)- 1,3- thiazolidine- 2,4- dione
Smiles: Ic1ccc(cc1)NC1SC(=O)N(C1=O)Cc1ccc(cc1)[N+](=O)[O-]

STK546268
Synonyms: 2- (3,4- dimethylphenyl)- 9- (4- fluorophenyl)tetrahydro- 5H- pyrazolo[1,2- a]pyrrolo[3,4- c]pyrazole- 1,3(2H,3aH)- dione
Smiles: Fc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1ccc(c(c1)C)C

STK546269
Synonyms: ethyl2- ({[(3- chloro- 1- benzothiophen- 2- yl)carbonyl]carbamothioyl}amino)- 6- methyl- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(=O)c2sc3c(c2Cl)cccc3)sc2c1CCC(C2)C

STK546270
Synonyms: ethyl6- bromo- 1- cyclohexyl- 5- hydroxy- 2- [(4- methylpiperazin- 1- yl)methyl]- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(O)c(cc2n(c1CN1CCN(CC1)C)C1CCCCC1)Br

STK546271
Synonyms: N- (3- chloro- 4- fluorophenyl)- 10- methyl- 11- (3- nitrophenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1nn(c2c1C(c1cccc(c1)[N+](=O)[O-])n1c(=N2)c(Nc2ccc(c(c2)Cl)F)nc2c1cccc2)c1ccccc1

STK546273
Synonyms: (6aS,6bR,9aS,10R)- 10- (1H- benzotriazol- 1- ylcarbonyl)- 8- [3- (trifluoromethyl)phenyl]- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)[C@@H]2[C@H]1[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2

STK546274
Synonyms: 6- methyl- 2- phenyl- 3- (pyrrolidin- 1- ylmethyl)quinolin- 4- ol
Smiles: Cc1ccc2c(c1)c(O)c(c(n2)c1ccccc1)CN1CCCC1

STK546275
Synonyms: N- (furan- 2- ylmethyl)- 2- imino- 1- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: O=C(c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1)NCc1ccco1

STK546276
Synonyms: N,N- dibutyl- 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)N(CCCC)CCCC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK546277
Synonyms: methyl4- (4- methylphenyl)- 2- ({[(3,4,5- trimethoxyphenyl)carbonyl]carbamothioyl}amino)thiophene- 3- carboxylate
Smiles: COC(=O)c1c(scc1c1ccc(cc1)C)NC(=S)NC(=O)c1cc(OC)c(c(c1)OC)OC

STK546279
Synonyms: 4- [4- (benzylamino)- 3- nitrophenyl]phthalazin- 1(2H)- one
Smiles: O=c1[nH]nc(c2c1cccc2)c1ccc(c(c1)[N+](=O)[O-])NCc1ccccc1

STK546281
Synonyms: (8S,8aR,11aS)- 10- (3- chlorophenyl)- 8- [(4- chlorophenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2N=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)Cl)cccc3

STK546283
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- methyl- N'- [(E)- {4- [(3- methylbenzyl)oxy]phenyl}methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Cc1cccc(c1)COc1ccc(cc1)/C=N/NC(=O)c1nnn(c1C)c1nonc1N

STK546284
Synonyms: 2- amino- N- (2- methoxyphenyl)- 1- (3- methoxypropyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)Nc1ccccc1OC

STK546285
Synonyms: 1- [(4- chlorophenyl)sulfonyl]- N'- [(E)- {2- [(3- fluorobenzyl)oxy]- 5- nitrophenyl}methylidene]piperidine- 4- carbohydrazide
Smiles: O=C(C1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl)N/N=C/c1cc(ccc1OCc1cccc(c1)F)[N+](=O)[O-]

STK546286
Synonyms: ethyl3- bromo- 4- [(4- methoxyphenyl)amino]- 2- methyl- 5- oxo- 1- phenyl- 2,5- dihydro- 1H- pyrrole- 2- carboxylate
Smiles: CCOC(=O)C1(C)N(c2ccccc2)C(=O)C(=C1Br)Nc1ccc(cc1)OC

STK546287
Synonyms: 3- [2- (3,5- dimethylphenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1cc(C)cc(c1)C

STK546290
Synonyms: 2- amino- 1- (3- chloro- 4- methoxyphenyl)- N- hexyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)OC

STK546291
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1E)- 1- (3- bromophenyl)ethylidene]- 5- [(4- methylpiperidin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CC1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C(/c1cccc(c1)Br)\C

STK546292
Synonyms: 4- [4- (4- methylpiperazin- 1- yl)- 3- nitrophenyl]phthalazin- 1(2H)- one
Smiles: CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])c1n[nH]c(=O)c2c1cccc2

STK546293
Synonyms: N- (1,3- benzodioxol- 5- ylmethyl)- 1- [(2- hydroxyethyl)amino]- 9,10- dioxo- 9,10- dihydroanthracene- 2- carboxamide
Smiles: OCCNc1c(ccc2c1C(=O)c1ccccc1C2=O)C(=O)NCc1ccc2c(c1)OCO2

STK546294
Synonyms: N,N- dimethyl- N'- (6- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl)ethane- 1,2- diamine
Smiles: CN(CCNc1ncnc2c1c1CC(C)CCc1s2)C

STK546295
Synonyms: (4Z)- 4- (3,4- diethoxy- 5- iodobenzylidene)- 2- (3- nitrophenyl)- 1,3- oxazol- 5(4H)- one
Smiles: CCOc1cc(/C=C/2\N=C(OC2=O)c2cccc(c2)[N+](=O)[O-])cc(c1OCC)I

STK546296
Synonyms: 4- (2- bromo- 4- methylphenyl)- 5- (quinolin- 2- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: Cc1ccc(c(c1)Br)n1c(S)nnc1c1ccc2c(n1)cccc2

STK546297
Synonyms: methyl4- [(5Z)- 5- (4- hydroxy- 3- methoxy- 5- nitrobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)N1C(=S)S/C(=C\c2cc(OC)c(c(c2)[N+](=O)[O-])O)/C1=O

STK546299
Synonyms: 6- hydroxy- 1,3- diphenyl- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)- 2- thioxo- 2,3- dihydropyrimidin- 4(1H)- one
Smiles: Oc1c(C2NCCc3c2cccc3)c(=O)n(c(=S)n1c1ccccc1)c1ccccc1

STK546301
Synonyms: ethyl2- ({[(5- {[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]methyl}- 1,3,4- oxadiazol- 2- yl)sulfanyl]acetyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nnc(o2)CSc2nc(C)cc(n2)C)sc2c1CCCC2

STK546302
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (2- chlorophenyl)methylidene]- 5- [(4- methylpiperidin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CC1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccccc1Cl

STK546303
Synonyms: (4Z)- 2- (4- iodophenyl)- 4- ({5- [3- (trifluoromethyl)phenyl]furan- 2- yl}methylidene)- 1,3- oxazol- 5(4H)- one
Smiles: Ic1ccc(cc1)C1=N/C(=C\c2ccc(o2)c2cccc(c2)C(F)(F)F)/C(=O)O1

STK546304
Synonyms: 5- {[(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)amino]methylidene}- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: S=C1NC(=O)C(=CNc2c(C)n(n(c2=O)c2ccccc2)C)C(=O)N1

STK546305
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (5- bromo- 2- hydroxyphenyl)methylidene]- 5- [(phenylamino)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1CNc1ccccc1)c1nonc1N)O

STK546306
Synonyms: 3- amino- N- {2- [(2- methylpropyl)sulfanyl]phenyl}- 6- (thiophen- 2- yl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: CC(CSc1ccccc1NC(=O)c1sc2c(c1N)ccc(n2)c1cccs1)C

STK546307
Synonyms: 3- {4- (4- ethoxyphenyl)- 5- [(4- methylbenzyl)sulfanyl]- 4H- 1,2,4- triazol- 3- yl}pyridine
Smiles: CCOc1ccc(cc1)n1c(nnc1c1cccnc1)SCc1ccc(cc1)C

STK546308
Synonyms: ethyl5- [({[4- (4- chlorophenyl)- 3- cyano- 6- methylpyridin- 2- yl]sulfanyl}acetyl)amino]- 4- cyano- 3- methylthiophene- 2- carboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nc(C)cc(c1C#N)c1ccc(cc1)Cl

STK546309
Synonyms: 4- acetyl- 5- (4- bromophenyl)- 3- hydroxy- 1- [3- (morpholin- 4- yl)propyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Brc1ccc(cc1)C1N(CCCN2CCOCC2)C(=O)C(=C1C(=O)C)O

STK546310
Synonyms: 4- {benzyl[2,5- dioxo- 1- (4- propoxyphenyl)pyrrolidin- 3- yl]amino}- 4- oxobutanoicacid
Smiles: CCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)CCC(=O)O)Cc1ccccc1

STK546311
Synonyms: 2- {[3- (2- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N,N- dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3)CCC

STK546312
Synonyms: 1- {[2- (dimethylamino)ethyl]amino}- 3- methyl- 2- pentylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCCCCc1c(C)c(C#N)c2n(c1NCCN(C)C)c1ccccc1n2

STK546314
Synonyms: ethyl2- methyl- 4- {[4- (piperidin- 1- yl)phenyl]amino}quinoline- 6- carboxylate
Smiles: CCOC(=O)c1ccc2c(c1)c(Nc1ccc(cc1)N1CCCCC1)cc(n2)C

STK546315
Synonyms: 3- {4- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]butyl}- 1,8,8- trimethyl- 3- azabicyclo[3.2.1]octane- 2,4- dione
Smiles: O=C1N(CCCCN2CCN(CC2)Cc2ccc3c(c2)OCO3)C(=O)C2(C(C1CC2)(C)C)C

STK546316
Synonyms: methyl5- bromo- 3- {[(2E)- 3- phenylprop- 2- enoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)/C=C/c1ccccc1)cc(cc2)Br

STK546318
Synonyms: 2- (3,4- dimethoxyphenyl)- 6- ethoxy- 7- methoxy- 4- [4- (2- methoxyphenyl)piperazin- 1- yl]quinazoline
Smiles: CCOc1cc2c(cc1OC)nc(nc2N1CCN(CC1)c1ccccc1OC)c1ccc(c(c1)OC)OC

STK546319
Synonyms: 1- benzyl- 3- hydroxy- 4- [(4- methylphenyl)carbonyl]- 5- phenyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Cc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1)Cc1ccccc1

STK546320
Synonyms: 1- {4- [(4- chlorophenyl)sulfonyl]piperazin- 1- yl}- 3- (3,6- dichloro- 9H- carbazol- 9- yl)propan- 2- ol
Smiles: Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O

STK546321
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1E)- 3- phenylpropylidene]- 5- (piperidin- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CN1CCCCC1)c1nonc1N)N/N=C/CCc1ccccc1

STK546322
Synonyms: N- {3- [(1E)- 1- (2- {[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- phenyl- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)ethyl]phenyl}acetamide
Smiles: CC(=O)Nc1cccc(c1)/C(=N/NC(=O)c1nnn(c1c1ccccc1)c1nonc1N)/C

STK546323
Synonyms: 2- {(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)C(C(=O)O)C

STK546324
Synonyms: methyl5- bromo- 1- [2- (morpholin- 4- yl)ethyl]- 6- oxo- 1,6- dihydropyridine- 3- carboxylate
Smiles: COC(=O)c1cn(CCN2CCOCC2)c(=O)c(c1)Br

STK546325
Synonyms: 1- [8- (4- chlorophenyl)- 1- (2- nitrophenyl)- 6- phenyl- 4- thia- 1,2,6,7- tetraazaspiro[4.5]deca- 2,7,9- trien- 3- yl]ethanone
Smiles: Clc1ccc(cc1)C1=NN(C2(C=C1)SC(=NN2c1ccccc1[N+](=O)[O-])C(=O)C)c1ccccc1

STK546326
Synonyms: 2- (benzylsulfanyl)- 6,8- diphenyl- 5,8- dihydro- 6H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: Nc1nc(SCc2ccccc2)nc2c1c1CC(SC(c1s2)c1ccccc1)c1ccccc1

STK546327
Synonyms: (8S,8aR,11aS)- 10- (4- acetylphenyl)- 8- [(3- nitrophenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc(cc1)C(=O)C)c1cccc(c1)[N+](=O)[O-]

STK546329
Synonyms: [3- amino- 6- (4- methoxyphenyl)- 4- phenylthieno[2,3- b]pyridin- 2- yl](2- chlorophenyl)methanone
Smiles: COc1ccc(cc1)c1nc2sc(c(c2c(c1)c1ccccc1)N)C(=O)c1ccccc1Cl

STK546330
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- (4- butylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)OC(COC)C

STK546332
Synonyms: N'- [(E)- (2,4- dichlorophenyl)methylidene]- 2- (5- phenyl- 1,3- oxazol- 2- yl)benzohydrazide
Smiles: Clc1ccc(c(c1)Cl)/C=N/NC(=O)c1ccccc1c1ncc(o1)c1ccccc1

STK546333
Synonyms: 2- ethyl- 6,6- dimethyl- 4- (prop- 2- en- 1- ylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: C=CCSc1nc(CC)nc2c1c1CC(C)(C)OCc1s2

STK546334
Synonyms: 11- (4- chlorophenyl)- N- (2,4- dimethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccc(c(c1)OC)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)Cl)c(nn1c1ccccc1)C

STK546335
Synonyms: 2- chlorobenzylN'- cyano- N- (4- ethoxyphenyl)carbamimidothioate
Smiles: CCOc1ccc(cc1)N/C(=N\C#N)/SCc1ccccc1Cl

STK546336
Synonyms: 2- [(2- methoxybenzyl)sulfanyl]- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]pyridine- 3- carbonitrile
Smiles: N#Cc1cc2CCCCCc2nc1SCc1ccccc1OC

STK546338
Synonyms: ethyl2- ({[(5- methyl- 3- phenyl- 1,2- oxazol- 4- yl)carbonyl]carbamothioyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(=O)c2c(C)onc2c2ccccc2)sc2c1CCCC2

STK546339
Synonyms: diethyl4- ({4- [(2- chlorobenzyl)oxy]phenyl}amino)quinoline- 3,6- dicarboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)OCc1ccccc1Cl)cc(cc2)C(=O)OCC

STK546340
Synonyms: butyl2- amino- 1- (4- methoxybenzyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc(cc1)OC

STK546341
Synonyms: 6- amino- 4- (4- fluoro- 3- phenoxyphenyl)- 3- [(phenylsulfanyl)methyl]- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Oc1ccccc1)F)c(CSc1ccccc1)n[nH]2

STK546342
Synonyms: propan- 2- yl[3- (4- benzylpiperidin- 1- yl)quinoxalin- 2- yl](cyano)acetate
Smiles: N#CC(c1nc2ccccc2nc1N1CCC(CC1)Cc1ccccc1)C(=O)OC(C)C

STK546344
Synonyms: methyl2- [(8S,8aR,11aS)- 8- [(4- chlorophenyl)carbonyl]- 9,11- dioxo- 8a,9,11a,11b- tetrahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinolin- 10(11H)- yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc(cc2)Cl)C=Cc2c1cccc2

STK546345
Synonyms: 2- (hexylsulfanyl)- 6- iodo- 3- (3- methylphenyl)quinazolin- 4(3H)- one
Smiles: CCCCCCSc1nc2ccc(cc2c(=O)n1c1cccc(c1)C)I

STK546347
Synonyms: 3- (4- methylpiperidin- 1- yl)- N- (1,3- thiazol- 2- yl)propanamide
Smiles: CC1CCN(CC1)CCC(=O)Nc1nccs1

STK546348
Synonyms: N- hexyl- 7,7- dimethyl- 3- (propanoylamino)- 7,8- dihydro- 5H- pyrano[4,3- b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: CCCCCCNC(=O)c1sc2c(c1NC(=O)CC)cc1c(n2)CC(OC1)(C)C

STK546349
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (2- fluorophenyl)methylidene]- 5- [(phenylamino)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Nc1nonc1n1nnc(c1CNc1ccccc1)C(=O)N/N=C/c1ccccc1F

STK546350
Synonyms: 3- (butan- 2- yl)- 2,8,8- trimethyl- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 4(3H)- one
Smiles: CCC(n1c(C)nc2c(c1=O)sc1c2cc2c(n1)CC(OC2)(C)C)C

STK546353
Synonyms: 1- benzyl- 2- imino- 5- oxo- N- (tetrahydrofuran- 2- ylmethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: O=C(c1cc2c(n(c1=N)Cc1ccccc1)nc1n(c2=O)cccc1)NCC1CCCO1

STK546354
Synonyms: 2- methoxy- 4- [(E)- {2- [(4- methoxyphenyl)sulfonyl]hydrazinylidene}methyl]phenylphenylcarbamate
Smiles: COc1cc(/C=N/NS(=O)(=O)c2ccc(cc2)OC)ccc1OC(=O)Nc1ccccc1

STK546356
Synonyms: octyl(4- hydroxy- 6- methyl- 2- phenylpyrimidin- 5- yl)acetate
Smiles: CCCCCCCCOC(=O)Cc1c(C)nc(nc1O)c1ccccc1

STK546357
Synonyms: prop- 2- en- 1- yl2- amino- 1- (2- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: C=CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccccc1

STK546358
Synonyms: 2- methyl- 7- {[2- (4- methylpiperidin- 1- yl)ethyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: CC1CCN(CC1)CCNc1cc2oc3ccc(cc3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK546359
Synonyms: (5Z)- 1- (4- ethoxyphenyl)- 5- [(morpholin- 4- ylamino)methylidene]- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C/NN2CCOCC2)/C1=O

STK546361
Synonyms: 2- methoxyethyl2- amino- 1- (2- methoxyethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCCOC(=O)c1c2nc3ccccc3nc2n(c1N)CCOC

STK546362
Synonyms: 1- {1- (3- chlorophenyl)- 6- phenyl- 8- [4- (propan- 2- yl)phenyl]- 4- thia- 1,2,6,7- tetraazaspiro[4.5]deca- 2,7,9- trien- 3- yl}ethanone
Smiles: Clc1cccc(c1)N1N=C(SC21C=CC(=NN2c1ccccc1)c1ccc(cc1)C(C)C)C(=O)C

STK546363
Synonyms: 2- [(4- amino- 7- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (4- phenylbutan- 2- yl)acetamide
Smiles: CC1CCc2c(C1)sc1c2c(N)nc(n1)SCC(=O)NC(CCc1ccccc1)C

STK546364
Synonyms: N~4~- benzyl- N~2~- (2,5- dimethylphenyl)quinazoline- 2,4- diamine
Smiles: Cc1ccc(c(c1)Nc1nc(NCc2ccccc2)c2c(n1)cccc2)C

STK546365
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- (4- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK546366
Synonyms: N,N- diethyl- 2- {[3- (2- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCC3)CC

STK546367
Synonyms: (1'R,2'R)- 2'- (4- nitrophenyl)- 1'- (phenylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: O=C([C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)c1ccccc1

STK546369
Synonyms: (8S,8aR,11aS)- 10- (3- chlorophenyl)- 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)c1cccc(c1)Cl)cccc3

STK546370
Synonyms: 2- amino- N- (2,5- dimethylphenyl)- 1- (4- methylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Cc1ccc(cc1)n1c(N)c(c2c1nc1ccccc1n2)C(=O)Nc1cc(C)ccc1C

STK546371
Synonyms: 8- {[bis(2- methylpropyl)amino]methyl}- 3- (2- chlorophenyl)- 7- hydroxy- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: CC(CN(Cc1c(O)ccc2c1oc(c(c2=O)c1ccccc1Cl)C(F)(F)F)CC(C)C)C

STK546373
Synonyms: butyl2- amino- 1- (1,3- benzodioxol- 5- ylmethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc2c(c1)OCO2

STK546375
Synonyms: methyl5- chloro- 3- {[3- (3,3- dimethylpiperidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCC(C1)(C)C)cc(cc2)Cl

STK546376
Synonyms: 4- phenyl- 7- (prop- 2- en- 1- ylsulfanyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: C=CCSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK546377
Synonyms: 1- (furan- 2- ylmethyl)- 2- imino- N- (2- methoxyethyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: COCCNC(=O)c1cc2c(n(c1=N)Cc1ccco1)nc1n(c2=O)cccc1

STK546378
Synonyms: N- ({4- [(3- methoxypyrazin- 2- yl)sulfamoyl]phenyl}carbamothioyl)benzamide
Smiles: COc1nccnc1NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccccc1

STK546379
Synonyms: 5- phenyl- 1- [3- (trifluoromethyl)phenyl]- 3- {[3- (trifluoromethyl)phenyl]amino}- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: O=C1C(=CC(N1c1cccc(c1)C(F)(F)F)c1ccccc1)Nc1cccc(c1)C(F)(F)F

STK546380
Synonyms: 2- amino- N- cyclohexyl- 1- [2- (4- sulfamoylphenyl)ethyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: O=C(c1c(N)n(c2c1nc1ccccc1n2)CCc1ccc(cc1)S(=O)(=O)N)NC1CCCCC1

STK546381
Synonyms: 3- [3- (3,4- dimethylphenoxy)propyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccc(c(c1)C)C

STK546382
Synonyms: (5Z)- 3- (3- chloro- 4- methylbenzyl)- 5- [(5- methylfuran- 2- yl)methylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Cc1ccc(o1)/C=C/1\SC(=S)N(C1=O)Cc1ccc(c(c1)Cl)C

STK546383
Synonyms: 3- (butylamino)- 1- (3,4- dichlorophenyl)pyrrolidine- 2,5- dione
Smiles: CCCCNC1CC(=O)N(C1=O)c1ccc(c(c1)Cl)Cl

STK546385
Synonyms: 4- {[(2E)- 3- chlorobut- 2- en- 1- yl]sulfanyl}- 2- ethyl- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCc1nc(SC/C=C(/Cl)\C)c2c(n1)sc1c2CC(OC1)(C)C

STK546386
Synonyms: 2- {[6- iodo- 3- (2- methoxyphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: COc1ccccc1n1c(SCC(=O)Nc2ccc(cc2)C)nc2c(c1=O)cc(cc2)I

STK546387
Synonyms: 1- (4- propoxyphenyl)- 3- (triphenyl- lambda~5~- phosphanylidene)pyrrolidine- 2,5- dione
Smiles: CCCOc1ccc(cc1)N1C(=O)CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C1=O

STK546388
Synonyms: 2- amino- 1- (3,5- dimethylphenyl)- N- phenyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Cc1cc(C)cc(c1)n1c(N)c(c2c1nc1ccccc1n2)C(=O)Nc1ccccc1

STK546389
Synonyms: 6- iodo- 3- (3- methylphenyl)- 2- [(2- oxo- 2- phenylethyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SCC(=O)c1ccccc1)c1cccc(c1)C

STK546390
Synonyms: N'- [(E)- (3- benzyl- 4- chloro- 2- oxo- 2,3- dihydro- 1,3- thiazol- 5- yl)methylidene]benzohydrazide
Smiles: O=C(c1ccccc1)N/N=C/c1sc(=O)n(c1Cl)Cc1ccccc1

STK546391
Synonyms: N,N- dibutyl- 2- {[3- (2- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: CCCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1OC)CCCCC3)CCCC

STK546392
Synonyms: 5- [4,5- bis(4- chlorophenyl)- 1H- imidazol- 2- yl]- 2- methoxyphenol
Smiles: COc1ccc(cc1O)c1[nH]c(c(n1)c1ccc(cc1)Cl)c1ccc(cc1)Cl

STK546393
Synonyms: 11- (2- methoxybenzyl)- 3- phenyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccccc1Cn1c2ncn(c(=O)c2c2c1nc1ccccc1n2)c1ccccc1

STK546394
Synonyms: 3- (benzylsulfanyl)- 5- ethyl- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCc1nc2sc3c(c2c2n1c(SCc1ccccc1)nn2)CC(OC3)(C)C

STK546396
Synonyms: 3- [3- (2- chloro- 4- methylphenoxy)propyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccc(cc1Cl)C

STK546399
Synonyms: N- {(1E)- 1- (3,4- diethoxyphenyl)- 3- [(4- methylphenyl)amino]- 3- oxoprop- 1- en- 2- yl}benzamide
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)Nc1ccc(cc1)C)/NC(=O)c1ccccc1

STK546400
Synonyms: 1- methyl- 7- {[2- (4- methylpiperidin- 1- yl)ethyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: CC1CCN(CC1)CCNc1cc2oc3cccc(c3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK546401
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(1E)- 1- [4- (2- methylpropyl)phenyl]ethylidene}- 5- (morpholin- 4- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CC(Cc1ccc(cc1)/C(=N/NC(=O)c1nnn(c1CN1CCOCC1)c1nonc1N)/C)C

STK546402
Synonyms: N- (1,3- benzodioxol- 5- yl)- 2- {[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(s1)SCc1ccccc1

STK546403
Synonyms: 4- nitro- 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)[N+](=O)[O-]

STK546404
Synonyms: 2- (5- methyl- 3- nitro- 1H- pyrazol- 1- yl)- N'- [(1E)- 1- (pyridin- 4- yl)ethylidene]acetohydrazide
Smiles: O=C(Cn1nc(cc1C)[N+](=O)[O-])N/N=C(/c1ccncc1)\C

STK546406
Synonyms: 2- (benzylsulfanyl)- 7- tert- butyl- 3- (3- methylphenyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Cc1cccc(c1)n1c(SCc2ccccc2)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)C

STK546407
Synonyms: N- (3,5- dichlorophenyl)- 2- ({5- [(naphthalen- 1- ylmethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)acetamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nnc(s1)SCc1cccc2c1cccc2

STK546408
Synonyms: (9E)- 9- (4- chlorobenzylidene)- 5- (4- chlorophenyl)- 3- (4- methylphenyl)- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: Clc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)C)/C(=C/c1ccc(cc1)Cl)/CCC2

STK546409
Synonyms: 2- methoxyethylcyano[3- (pyrrolidin- 1- yl)quinoxalin- 2- yl]acetate
Smiles: COCCOC(=O)C(c1nc2ccccc2nc1N1CCCC1)C#N

STK546412
Synonyms: 3- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 5- phenyl- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CC(=C)CSc1nnc2n1c(nc1c2c2CCCc2s1)c1ccccc1

STK546413
Synonyms: 2- {[6- amino- 3,5- dicyano- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- (3- fluoro- 2- methylphenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2cccc(c2C)F)nc(c(c1c1cccs1)C#N)N

STK546414
Synonyms: 2- (2,6- dichlorophenyl)- 9- (4- fluorophenyl)tetrahydro- 5H- pyrazolo[1,2- a]pyrrolo[3,4- c]pyrazole- 1,3(2H,3aH)- dione
Smiles: Fc1ccc(cc1)C1N2CCCN2C2C1C(=O)N(C2=O)c1c(Cl)cccc1Cl

STK546415
Synonyms: 3- [2- (2- bromo- 4,6- dimethylphenoxy)ethyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1c(C)cc(cc1Br)C

STK546417
Synonyms: 2- [(2- phenylethyl)sulfanyl]- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCn1c(SCCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK546418
Synonyms: (8S,8aR,11aS)- 10- (2- methyl- 5- nitrophenyl)- 8- [(3- nitrophenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C([C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-])cccc3)c1cccc(c1)[N+](=O)[O-]

STK546419
Synonyms: methyl(1R,2R,3S,3aS)- 1- [(3- bromo- 4- methoxyphenyl)carbonyl]- 3- cyano- 2- (4- methoxyphenyl)- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinoline- 3- carboxylate
Smiles: COc1ccc(cc1)[C@H]1[C@H](C(=O)c2ccc(c(c2)Br)OC)N2[C@H]([C@@]1(C#N)C(=O)OC)C=Cc1c2cccc1

STK546420
Synonyms: 2- {3- [(1E)- 3- oxo- 3- (piperidin- 1- yl)prop- 1- en- 1- yl]phenyl}- 3a,4,7,7a- tetrahydro- 1H- 4,7- methanoisoindole- 1,3(2H)- dione
Smiles: O=C1N(c2cccc(c2)/C=C/C(=O)N2CCCCC2)C(=O)C2C1C1C=CC2C1

STK546421
Synonyms: ethyl4,5- dimethyl- 2- ({[(4- oxo- 3- phenyl- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetyl}amino)thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nc3sc4c(c3c(=O)n2c2ccccc2)CCC4)sc(c1C)C

STK546422
Synonyms: 4- (phenylcarbonyl)phenyl(6aS,6bR,9aS,10R)- 7,9- dioxo- 8- phenyl- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxylate
Smiles: O=C(c1ccccc1)c1ccc(cc1)OC(=O)[C@@H]1N2c3ccccc3C=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1

STK546423
Synonyms: prop- 2- en- 1- yl4- [4- (benzyloxy)- 3- methoxyphenyl]- 6- ({2- [(3- chloro- 5- methylphenyl)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)Nc1cc(C)cc(c1)Cl

STK546424
Synonyms: 2- {[6- amino- 3,5- dicyano- 4- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- [4- (trifluoromethyl)phenyl]acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)C(F)(F)F)nc(c(c1c1cccs1)C#N)N

STK546425
Synonyms: 2- methoxyethylcyano[3- (diprop- 2- en- 1- ylamino)quinoxalin- 2- yl]acetate
Smiles: COCCOC(=O)C(c1nc2ccccc2nc1N(CC=C)CC=C)C#N

STK546426
Synonyms: N- (2- {(2Z)- 2- [1- (3- cyanopropyl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]hydrazinyl}- 2- oxoethyl)- 2- methoxybenzamide(non- preferredname)
Smiles: N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2OC)/c2c1cccc2

STK546428
Synonyms: 5- benzyl- 4- (naphthalen- 1- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1c1cccc2c1cccc2)Cc1ccccc1

STK546429
Synonyms: (4S,4aS)- 2- amino- 6- tert- butyl- 4- [2- (propan- 2- yloxy)phenyl]- 4a,5,6,7- tetrahydronaphthalene- 1,3,3(4H)- tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCC(C2)C(C)(C)C)c1ccccc1OC(C)C)(C#N)C#N

STK546430
Synonyms: 8- [(diethylamino)methyl]- 7- hydroxy- 3- (3- methylphenoxy)- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: CCN(Cc1c(O)ccc2c1oc(c(c2=O)Oc1cccc(c1)C)C(F)(F)F)CC

STK546432
Synonyms: 1- methyl- N- (propan- 2- yl)[1,2,4]triazolo[4,3- a]quinoxalin- 4- amine
Smiles: CC(Nc1nc2ccccc2n2c1nnc2C)C

STK546433
Synonyms: 2- (4- methoxyphenyl)- 3- [2- (naphthalen- 1- yloxy)ethyl]quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1cccc2c1cccc2

STK546434
Synonyms: N- [(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)carbamothioyl]pyridine- 3- carboxamide
Smiles: S=C(Nc1c(=O)n(n(c1C)C)c1ccccc1)NC(=O)c1cccnc1

STK546435
Synonyms: 4- (1- ethyl- 1H- indol- 3- yl)- 3- nitro- 4- phenylbutan- 2- one
Smiles: CCn1cc(c2c1cccc2)C(C(C(=O)C)[N+](=O)[O-])c1ccccc1

STK546437
Synonyms: 4- chloro- N'- [(3Z)- 2- oxo- 1- {[2- (pyridin- 3- yl)piperidin- 1- yl]methyl}- 1,2- dihydro- 3H- indol- 3- ylidene]benzohydrazide
Smiles: Clc1ccc(cc1)C(=O)N/N=C\1/c2ccccc2N(C1=O)CN1CCCCC1c1cccnc1

STK546439
Synonyms: 3- [3- (2,3- dichlorophenoxy)propyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1cccc(c1Cl)Cl

STK546440
Synonyms: N- {2- [(3- cyano- 4,5,6,7,8,9- hexahydrocycloocta[b]thiophen- 2- yl)amino]- 1,1,1,3,3,3- hexafluoropropan- 2- yl}furan- 2- carboxamide
Smiles: N#Cc1c(sc2c1CCCCCC2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)c1ccco1

STK546441
Synonyms: 1- [8- (4- chlorophenyl)- 1- (4- nitrophenyl)- 6- phenyl- 4- thia- 1,2,6,7- tetraazaspiro[4.5]deca- 2,7,9- trien- 3- yl]ethanone
Smiles: Clc1ccc(cc1)C1=NN(C2(C=C1)SC(=NN2c1ccc(cc1)[N+](=O)[O-])C(=O)C)c1ccccc1

STK546442
Synonyms: 1- (9H- carbazol- 9- yl)- 3- (decylamino)propan- 2- ol
Smiles: CCCCCCCCCCNCC(Cn1c2ccccc2c2c1cccc2)O

STK546443
Synonyms: (8S,8aR,11aS)- 10- (3- nitrophenyl)- 8- [(3- nitrophenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1C1c3ccccc3C=CN1[C@@H]2C(=O)c1cccc(c1)[N+](=O)[O-]

STK546444
Synonyms: 4- (phenylcarbonyl)phenyl(6aS,6bR,9aS,10R)- 8- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxylate
Smiles: O=C([C@H]1[C@@H]2[C@H]([C@H]3N1c1ccccc1C=C3)C(=O)N(C2=O)c1ccc2c(c1)OCCO2)Oc1ccc(cc1)C(=O)c1ccccc1

STK546445
Synonyms: (9E)- 9- (3- methoxybenzylidene)- 5- (3- methoxyphenyl)- 3- (4- nitrophenyl)- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: COc1cccc(c1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)[N+](=O)[O-])/C(=C/c1cccc(c1)OC)/CCC2

STK546446
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- ({5- [(naphthalen- 1- ylmethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(s1)SCc1cccc2c1cccc2

STK546447
Synonyms: 7- tert- butyl- 3- (3- methylphenyl)- 2- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CC(=C)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCC(C3)C(C)(C)C

STK546448
Synonyms: (4E)- 2- [(4- methylphenyl)amino]- 4- [(4- methylphenyl)imino]naphthalen- 1(4H)- one
Smiles: Cc1ccc(cc1)NC1=C/C(=N\c2ccc(cc2)C)/c2c(C1=O)cccc2

STK546450
Synonyms: N,N- diethyl- 2- {[3- (2- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3)CC

STK546451
Synonyms: 4- chloro- N- {3- [(4- methylphenyl)sulfonyl]- 1- (tetrahydrofuran- 2- ylmethyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccc(cc2)Cl)n(c2c1nc1ccccc1n2)CC1CCCO1

STK546452
Synonyms: 2- [(3- butyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (naphthalen- 1- yl)acetamide
Smiles: CCCCn1c(SCC(=O)Nc2cccc3c2cccc3)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK546453
Synonyms: 3- {[(E)- (2- hydroxy- 6,7,8,9- tetrahydrodibenzo[b,d]furan- 1- yl)methylidene]amino}- 2- methylquinazolin- 4(3H)- one
Smiles: Oc1ccc2c(c1/C=N/n1c(C)nc3c(c1=O)cccc3)c1CCCCc1o2

STK546455
Synonyms: 2- {[4- (4- chlorophenyl)- 3- cyano- 6- methylpyridin- 2- yl]sulfanyl}- N- (3- cyano- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nc(cc1c1ccc(cc1)Cl)C

STK546456
Synonyms: 6- iodo- 3- (3- methylphenyl)- 2- [(2- phenoxyethyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SCCOc1ccccc1)c1cccc(c1)C

STK546457
Synonyms: 2- (2- cyanoethyl)- 1- (4- cyclohexylpiperazin- 1- yl)- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: N#CCCc1c(C)c(C#N)c2n(c1N1CCN(CC1)C1CCCCC1)c1ccccc1n2

STK546459
Synonyms: methylcyano[3- (3- methylpiperidin- 1- yl)quinoxalin- 2- yl]acetate
Smiles: N#CC(c1nc2ccccc2nc1N1CCCC(C1)C)C(=O)OC

STK546460
Synonyms: ethyl4- [(4- iodophenyl)amino]- 6- methylquinoline- 3- carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)I)cc(cc2)C

STK546461
Synonyms: (8S,8aR,11aS)- 8- [(4- chlorophenyl)carbonyl]- 10- (2- methyl- 5- nitrophenyl)- 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)c1cc(ccc1C)[N+](=O)[O-])cccc3

STK546462
Synonyms: 2- methoxyethyl2- amino- 1- [2- (4- methoxyphenyl)ethyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCCOC(=O)c1c2nc3ccccc3nc2n(c1N)CCc1ccc(cc1)OC