Chemical compounds for High-Throughput screening and
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BBL035217
Synonyms: 3- chloro- 1- (methoxymethyl)- 5- methyl- 1H- 1,2,4- triazole
Smiles: Cc1nc(nn1COC)Cl

BBL035218
Synonyms: 1- [1- (methoxymethyl)- 3- methyl- 1H- 1,2,4- triazol- 5- yl]piperazine
Smiles: COCn1nc(nc1N1CCNCC1)C

BBL035219
Synonyms: 1- {3- [3- (aminomethyl)- 1,2,4- oxadiazol- 5- yl]azetidin- 1- yl}ethanone
Smiles: NCc1noc(n1)C1CN(C1)C(=O)C

BBL035220
Synonyms: 5- [3- (aminomethyl)- 1,2,4- oxadiazol- 5- yl]pyrrolidin- 2- one
Smiles: NCc1nc(on1)C1CCC(=O)N1

BBL035221
Synonyms: 1- {[3- (2- aminoethyl)- 1,2,4- oxadiazol- 5- yl]methyl}pyridin- 2(1H)- one
Smiles: NCCc1noc(n1)Cn1ccccc1=O

BBL035222
Synonyms: (2E)- 6- hydroxy- 2- [(1- methyl- 1H- pyrrol- 2- yl)methylidene]- 1- benzofuran- 3(2H)- one
Smiles: Oc1ccc2c(c1)O/C(=C/c1cccn1C)/C2=O

BBL035223
Synonyms: (1- benzyl- 2,5- dioxoimidazolidin- 4- yl)aceticacid
Smiles: OC(=O)CC1NC(=O)N(C1=O)Cc1ccccc1

BBL035224
Synonyms: 6,7- dimethoxy- 2,2- dimethyl- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxylicacid
Smiles: COc1c(OC)ccc2c1C(=O)N1C2SC(C1C(=O)O)(C)C

BBL035225
Synonyms: [4- (acetylamino)- 1- aminocyclohexyl]aceticacid
Smiles: CC(=O)NC1CCC(CC1)(N)CC(=O)O

BBL035226
Synonyms: 5- oxo- 5- (2- phenylmorpholin- 4- yl)pentanoicacid
Smiles: OC(=O)CCCC(=O)N1CCOC(C1)c1ccccc1

BBL035227
Synonyms: 5- (3- carboxy- 4- chlorophenyl)furan- 2- carboxylicacid
Smiles: OC(=O)c1ccc(o1)c1ccc(c(c1)C(=O)O)Cl

BBL035228
Synonyms: 3- chloro- 4- {[(3- chlorophenyl)carbonyl]oxy}- 5- ethoxybenzoicacid
Smiles: CCOc1cc(cc(c1OC(=O)c1cccc(c1)Cl)Cl)C(=O)O

BBL035229
Synonyms: 1- (methylsulfonyl)- 1H- indole- 3- carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)S(=O)(=O)C

BBL035230
Synonyms: 4- {[(4- chlorophenyl)carbonyl]oxy}- 3- methoxybenzoicacid
Smiles: COc1cc(ccc1OC(=O)c1ccc(cc1)Cl)C(=O)O

BBL035231
Synonyms: 1- (4- fluorobenzyl)- 1H- indole- 6- carbonitrile
Smiles: N#Cc1ccc2c(c1)n(cc2)Cc1ccc(cc1)F

BBL035232
Synonyms: 1- [(3- butoxyphenyl)carbonyl]- 1H- indole- 3- carbonitrile
Smiles: CCCCOc1cccc(c1)C(=O)n1cc(c2c1cccc2)C#N

BBL035233
Synonyms: 1- (phenylcarbonyl)- 1H- indole- 6- carbonitrile
Smiles: N#Cc1ccc2c(c1)n(cc2)C(=O)c1ccccc1

BBL035234
Synonyms: 1- (phenylcarbonyl)- 1H- indole- 5- carbonitrile
Smiles: N#Cc1ccc2c(c1)ccn2C(=O)c1ccccc1

BBL035235
Synonyms: methyl4- (3- cyano- 1H- indol- 1- yl)- 4- oxobutanoate
Smiles: COC(=O)CCC(=O)n1cc(c2c1cccc2)C#N

BBL035236
Synonyms: 3- chloro- 4- {[(4- chlorophenyl)carbonyl]oxy}- 5- methoxybenzoicacid
Smiles: COc1cc(cc(c1OC(=O)c1ccc(cc1)Cl)Cl)C(=O)O

BBL035237
Synonyms: 3- chloro- 4- {[(4- chlorophenyl)sulfonyl]oxy}- 5- methoxybenzoicacid
Smiles: COc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)Cl)Cl)C(=O)O

BBL035238
Synonyms: 3- ethoxy- 4- {[(4- methoxyphenyl)sulfonyl]oxy}benzoicacid
Smiles: CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)OC)C(=O)O

BBL035239
Synonyms: [2- (quinolin- 5- ylamino)- 1,3- thiazol- 4- yl]aceticacid
Smiles: OC(=O)Cc1csc(n1)Nc1cccc2c1cccn2

BBL035240
Synonyms: (2- {[4- (1H- 1,2,4- triazol- 1- ylmethyl)phenyl]amino}- 1,3- thiazol- 4- yl)aceticacid
Smiles: OC(=O)Cc1csc(n1)Nc1ccc(cc1)Cn1ncnc1

BBL035241
Synonyms: 3- bromo- 5- (propan- 2- yloxy)- 1- (tetrahydro- 2H- pyran- 2- yl)- 1H- 1,2,4- triazole
Smiles: CC(Oc1nc(nn1C1CCCCO1)Br)C

BBL035242
Synonyms: 2- acetyl- 4- bromo- 5- methyl- 1,2- oxazol- 3(2H)- one
Smiles: Cc1on(c(=O)c1Br)C(=O)C

BBL035243
Synonyms: 3- (7,8- dimethoxy- 2- oxo- 1,2- dihydro- 3H- 3- benzazepin- 3- yl)propanoicacid
Smiles: COc1cc2C=CN(C(=O)Cc2cc1OC)CCC(=O)O

BBL035244
Synonyms: [3- bromo- 5- (dimethylamino)- 1H- 1,2,4- triazol- 1- yl]aceticacid
Smiles: CN(c1nc(nn1CC(=O)O)Br)C

BBL035245
Synonyms: 4- bromo- 5- methyl- 2- (phenylcarbonyl)- 1,2- oxazol- 3(2H)- one
Smiles: Cc1on(c(=O)c1Br)C(=O)c1ccccc1

BBL035246
Synonyms: 3- bromo- 5- (2- methoxyethoxy)- 1- (methoxymethyl)- 1H- 1,2,4- triazole
Smiles: COCCOc1nc(nn1COC)Br

BBL035247
Synonyms: methyl(3- bromo- 5- hydroxy- 1H- 1,2,4- triazol- 1- yl)acetate
Smiles: COC(=O)Cn1nc(nc1O)Br

BBL035248
Synonyms: (3- chloro- 1H- 1,2,4- triazol- 1- yl)methanol
Smiles: OCn1cnc(n1)Cl

BBL035249
Synonyms: 2- bromo- 7,8- dihydro[1,2,4]triazolo[5,1- b][1,5,3]dioxazepine
Smiles: Brc1nn2c(n1)OCCOC2

BBL035250
Synonyms: (3- bromo- 5- methoxy- 1H- 1,2,4- triazol- 1- yl)aceticacid
Smiles: COc1nc(nn1CC(=O)O)Br

BBL035251
Synonyms: (3- bromo- 1H- 1,2,4- triazol- 1- yl)methanol
Smiles: OCn1cnc(n1)Br

BBL035252
Synonyms: (3,5- dibromo- 1H- 1,2,4- triazol- 1- yl)methanol
Smiles: OCn1nc(nc1Br)Br

BBL035253
Synonyms: (2Z)- 6- hydroxy- 2- (3,4,5- trifluorobenzylidene)- 1- benzofuran- 3(2H)- one
Smiles: Oc1ccc2c(c1)O/C(=C\c1cc(F)c(c(c1)F)F)/C2=O

BBL035254
Synonyms: (3- hydroxy- 1H- 1,2,4- triazol- 1- yl)aceticacid
Smiles: OC(=O)Cn1cnc(n1)O

BBL035255
Synonyms: 3- bromo- 1- (chloromethyl)- 1H- 1,2,4- triazole
Smiles: ClCn1cnc(n1)Br

BBL035256
Synonyms: 3,5- dibromo- 1- (chloromethyl)- 1H- 1,2,4- triazole
Smiles: ClCn1nc(nc1Br)Br

BBL035257
Synonyms: 5- bromo- 1,4,6- trimethyl- 2- oxo- 1,2- dihydropyridine- 3- carboxylicacid
Smiles: OC(=O)c1c(C)c(Br)c(n(c1=O)C)C

BBL035258
Synonyms: methyl5- bromo- 3- cyano- 6- (2- methylpropyl)- 2- oxo- 1,2- dihydropyridine- 4- carboxylate
Smiles: COC(=O)c1c(Br)c(CC(C)C)[nH]c(=O)c1C#N

BBL035259
Synonyms: methyl3- bromo- 6- chloro- 5- cyano- 2- methylpyridine- 4- carboxylate
Smiles: COC(=O)c1c(Br)c(C)nc(c1C#N)Cl

BBL035260
Synonyms: (3- bromo- 5- methyl- 1H- 1,2,4- triazol- 1- yl)aceticacid
Smiles: Cc1nc(nn1CC(=O)O)Br

BBL035261
Synonyms: [3- bromo- 5- (propan- 2- yloxy)- 1H- 1,2,4- triazol- 1- yl]aceticacid
Smiles: OC(=O)Cn1nc(nc1OC(C)C)Br

BBL035262
Synonyms: 1- (5- amino- 1- methyl- 1H- benzimidazol- 2- yl)- 2,2- dimethylpropane- 1,3- diol
Smiles: OCC(C(c1nc2c(n1C)ccc(c2)N)O)(C)C

BBL035263
Synonyms: (3- chloro- 5- methyl- 1H- 1,2,4- triazol- 1- yl)aceticacid
Smiles: Cc1nc(nn1CC(=O)O)Cl

BBL035264
Synonyms: 4- methyl- 2- phenoxy- 1,3- thiazole- 5- carboxylicacid
Smiles: OC(=O)c1sc(nc1C)Oc1ccccc1

BBL035265
Synonyms: 3- (2- phenylethyl)- 1H- pyrazole- 5- carboxylicacid
Smiles: OC(=O)c1[nH]nc(c1)CCc1ccccc1

BBL035266
Synonyms: 6- ethoxy- 2,3,4,9- tetrahydro- 1H- carbazol- 1- amine
Smiles: CCOc1ccc2c(c1)c1CCCC(c1[nH]2)N

BBL035267
Synonyms: 3- [4- (4- methylpyridin- 2- yl)piperazin- 1- yl]propanoicacid
Smiles: OC(=O)CCN1CCN(CC1)c1nccc(c1)C

BBL035269
Synonyms: methyl5- methyl- 1H- 1,2,4- triazole- 3- carboxylate
Smiles: COC(=O)c1n[nH]c(n1)C

BBL035270
Synonyms: 3- [1- (4- methoxyphenyl)- 2,5- dioxoimidazolidin- 4- yl]propanoicacid
Smiles: COc1ccc(cc1)N1C(=O)NC(C1=O)CCC(=O)O

BBL035274
Synonyms: 3- [(4S)- 2,5- dioxo- 1- (2- phenylethyl)imidazolidin- 4- yl]propanoicacid
Smiles: OC(=O)CC[C@@H]1NC(=O)N(C1=O)CCc1ccccc1

BBL035275
Synonyms: 3- [(4S)- 1- (4- methoxybenzyl)- 2,5- dioxoimidazolidin- 4- yl]propanoicacid
Smiles: COc1ccc(cc1)CN1C(=O)N[C@H](C1=O)CCC(=O)O

BBL035276
Synonyms: 3- [(4S)- 1- (furan- 2- ylmethyl)- 2,5- dioxoimidazolidin- 4- yl]propanoicacid
Smiles: OC(=O)CC[C@@H]1NC(=O)N(C1=O)Cc1ccco1

BBL035277
Synonyms: 4- bromo- 5- propyl- 1H- pyrazole- 3- carboxylicacid
Smiles: CCCc1[nH]nc(c1Br)C(=O)O

BBL035278
Synonyms: 3- {1- [2- (3,4- dimethoxyphenyl)ethyl]- 2,5- dioxoimidazolidin- 4- yl}propanoicacid
Smiles: COc1ccc(cc1OC)CCN1C(=O)NC(C1=O)CCC(=O)O

BBL035279
Synonyms: [1- (3,4- dimethoxybenzyl)- 2,5- dioxoimidazolidin- 4- yl]aceticacid
Smiles: COc1ccc(cc1OC)CN1C(=O)NC(C1=O)CC(=O)O

BBL035280
Synonyms: {1- [2- (3,4- dimethoxyphenyl)ethyl]- 2,5- dioxoimidazolidin- 4- yl}aceticacid
Smiles: COc1ccc(cc1OC)CCN1C(=O)NC(C1=O)CC(=O)O

BBL035281
Synonyms: [1- (4- methoxyphenyl)- 2,5- dioxoimidazolidin- 4- yl]aceticacid
Smiles: COc1ccc(cc1)N1C(=O)NC(C1=O)CC(=O)O

BBL035282
Synonyms: 3- {2,5- dioxo- 1- [4- (propan- 2- yl)phenyl]imidazolidin- 4- yl}propanoicacid
Smiles: OC(=O)CCC1NC(=O)N(C1=O)c1ccc(cc1)C(C)C

BBL035283
Synonyms: [2,5- dioxo- 1- (3,4,5- trimethoxyphenyl)imidazolidin- 4- yl]aceticacid
Smiles: COc1c(OC)cc(cc1OC)N1C(=O)NC(C1=O)CC(=O)O

BBL035284
Synonyms: {2,5- dioxo- 1- [4- (propan- 2- yl)phenyl]imidazolidin- 4- yl}aceticacid
Smiles: OC(=O)CC1NC(=O)N(C1=O)c1ccc(cc1)C(C)C

BBL035285
Synonyms: 3- [2,5- dioxo- 1- (3,4,5- trimethoxyphenyl)imidazolidin- 4- yl]propanoicacid
Smiles: COc1c(OC)cc(cc1OC)N1C(=O)NC(C1=O)CCC(=O)O

BBL035286
Synonyms: 3- {1- [3- (acetylamino)phenyl]- 2,5- dioxoimidazolidin- 4- yl}propanoicacid
Smiles: OC(=O)CCC1NC(=O)N(C1=O)c1cccc(c1)NC(=O)C

BBL035287
Synonyms: [1- (4- chlorobenzyl)- 2,5- dioxoimidazolidin- 4- yl]aceticacid
Smiles: OC(=O)CC1NC(=O)N(C1=O)Cc1ccc(cc1)Cl

BBL035288
Synonyms: [1- (naphthalen- 1- yl)- 2,5- dioxoimidazolidin- 4- yl]aceticacid
Smiles: OC(=O)CC1NC(=O)N(C1=O)c1cccc2c1cccc2

BBL035295
Synonyms: 1- (2- methylpropyl)- 2- (pyrrolidin- 2- yl)- 1H- benzimidazole
Smiles: CC(Cn1c(nc2c1cccc2)C1CCCN1)C

BBL035296
Synonyms: 3- [(3S)- 2,5- dioxo- 2,3,4,5- tetrahydro- 1H- 1,4- benzodiazepin- 3- yl]propanoicacid
Smiles: OC(=O)CC[C@@H]1NC(=O)c2c(NC1=O)cccc2

BBL035297
Synonyms: 4- bromo- 1'- ethyl- 3',5'- dimethyl- 1'H,2H- 3,4'- bipyrazole- 5- carboxylicacid
Smiles: CCn1nc(c(c1C)c1[nH]nc(c1Br)C(=O)O)C

BBL035298
Synonyms: 1- [3- (methoxymethyl)- 1H- 1,2,4- triazol- 5- yl]- 1- phenylmethanamine
Smiles: COCc1n[nH]c(n1)C(c1ccccc1)N

BBL035299
Synonyms: 4- bromo- 5- (2- bromo- 4,5- dimethoxyphenyl)- 1H- pyrazole- 3- carboxylicacid
Smiles: COc1cc(c(cc1OC)Br)c1[nH]nc(c1Br)C(=O)O

BBL035300
Synonyms: 5- chloro- 3- [(3- methylbutyl)sulfonyl]- 1,2,4- triazol- 1- ide
Smiles: CC(CCS(=O)(=O)c1n[n-]c(n1)Cl)C

BBL035301
Synonyms: 1- (5- bromo- 1H- 1,2,4- triazol- 3- yl)piperazine
Smiles: Brc1[nH]nc(n1)N1CCNCC1

BBL035302
Synonyms: N- [1- (methoxymethyl)- 1H- 1,2,4- triazol- 5- yl]ethane- 1,2- diamine
Smiles: COCn1ncnc1NCCN

BBL035303
Synonyms: 5- (4- fluorophenyl)- 4- iodo- 1H- pyrazole- 3- carboxylicacid
Smiles: Fc1ccc(cc1)c1[nH]nc(c1I)C(=O)O

BBL035304
Synonyms: methyl4- bromo- 5- (4- fluorophenyl)- 1H- pyrazole- 3- carboxylate
Smiles: COC(=O)c1n[nH]c(c1Br)c1ccc(cc1)F

BBL035305
Synonyms: 2- (1H- benzimidazol- 2- ylmethyl)- 5- chloroaniline
Smiles: Clc1ccc(c(c1)N)Cc1nc2c([nH]1)cccc2

BBL035306
Synonyms: 4- bromo- 5- cyclopropyl- 1H- pyrazole- 3- carboxylicacid
Smiles: OC(=O)c1n[nH]c(c1Br)C1CC1

BBL035307
Synonyms: 4- bromo- 5- butyl- 1H- pyrazole- 3- carboxylicacid
Smiles: CCCCc1c(Br)c(n[nH]1)C(=O)O

BBL035308
Synonyms: 4- [(3- cyclopropyl- 1H- 1,2,4- triazol- 5- yl)methoxy]aniline
Smiles: Nc1ccc(cc1)OCc1[nH]nc(n1)C1CC1

BBL035309
Synonyms: {1- [2- (1H- indol- 3- yl)ethyl]- 2,5- dioxoimidazolidin- 4- yl}aceticacid
Smiles: OC(=O)CC1NC(=O)N(C1=O)CCc1c[nH]c2c1cccc2

BBL035310
Synonyms: 4- (methylsulfanyl)- 2- (1H- pyrrol- 1- yl)butanoicacid
Smiles: CSCCC(n1cccc1)C(=O)O

BBL035311
Synonyms: (1Z)- N'- hydroxy- 3- (methylamino)propanimidamide
Smiles: CNCC/C(=N/O)/N

BBL035312
Synonyms: 3- bromo- 1- (2- chloroethyl)- 1H- 1,2,4- triazole
Smiles: ClCCn1cnc(n1)Br

BBL035313
Synonyms: 2- [3- bromo- 5- (dimethylamino)- 1H- 1,2,4- triazol- 1- yl]ethanol
Smiles: OCCn1nc(nc1N(C)C)Br

BBL035315
Synonyms: [(3R)- 2,5- dioxo- 2,3,4,5- tetrahydro- 1H- 1,4- benzodiazepin- 3- yl]aceticacid
Smiles: OC(=O)C[C@H]1NC(=O)c2c(NC1=O)cccc2

BBL035318
Synonyms: 3- (piperazin- 1- yl)dihydrofuran- 2(3H)- one
Smiles: O=C1OCCC1N1CCNCC1

BBL035319
Synonyms: 1- [5- (methoxymethyl)- 1H- 1,2,4- triazol- 3- yl]- 2- phenylethanamine
Smiles: COCc1[nH]nc(n1)C(Cc1ccccc1)N

BBL035320
Synonyms: ethyl2- (4- aminopiperidin- 1- yl)- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: CCOC(=O)c1sc(nc1C)N1CCC(CC1)N

BBL035321
Synonyms: 2- chloro- 6- (piperidin- 4- yloxy)pyridine
Smiles: Clc1cccc(n1)OC1CCNCC1

BBL035322
Synonyms: 2- phenyl- 1- [5- (propan- 2- yl)- 1H- 1,2,4- triazol- 3- yl]ethanamine
Smiles: NC(c1n[nH]c(n1)C(C)C)Cc1ccccc1

BBL035323
Synonyms: 1- [3- (methoxymethyl)- 1H- 1,2,4- triazol- 5- yl]- 1- (4- methoxyphenyl)methanamine
Smiles: COCc1n[nH]c(n1)C(c1ccc(cc1)OC)N

BBL035324
Synonyms: 1'- (2- methoxyethyl)- 3',5'- dimethyl- 1'H,2H- 3,4'- bipyrazole- 5- carboxylicacid
Smiles: COCCn1nc(c(c1C)c1[nH]nc(c1)C(=O)O)C

BBL035325
Synonyms: {1- [3- (acetylamino)phenyl]- 2,5- dioxoimidazolidin- 4- yl}aceticacid
Smiles: OC(=O)CC1NC(=O)N(C1=O)c1cccc(c1)NC(=O)C

BBL035326
Synonyms: 3- [(1,3,5- trimethyl- 1H- pyrazol- 4- yl)methyl]aniline
Smiles: Nc1cccc(c1)Cc1c(C)nn(c1C)C

BBL035327
Synonyms: 5- (1- amino- 2- phenylethyl)- 2,4- dihydro- 3H- 1,2,4- triazol- 3- one
Smiles: NC(c1n[nH]c(=O)[nH]1)Cc1ccccc1

BBL035331
Synonyms: 3- [5- (azetidin- 3- yl)- 1,2,4- oxadiazol- 3- yl]pyridine
Smiles: N1CC(C1)c1onc(n1)c1cccnc1

BBL035332
Synonyms: 5- (azetidin- 3- yl)- 3- (propan- 2- yl)- 1,2,4- oxadiazole
Smiles: CC(c1noc(n1)C1CNC1)C

BBL035333
Synonyms: 4- (1,3- benzodioxol- 5- yloxy)pyridin- 3- amine
Smiles: Nc1cnccc1Oc1ccc2c(c1)OCO2

BBL035334
Synonyms: 7- [(3- aminopyridin- 4- yl)oxy]- 4- methyl- 2H- chromen- 2- one
Smiles: O=c1cc(C)c2c(o1)cc(cc2)Oc1ccncc1N

BBL035335
Synonyms: 3- (14- methyl- 5- oxo- 7,8,13b,14- tetrahydroindolo[2',3':3,4]pyrido[2,1- b]quinazolin- 13(5H)- yl)propanoicacid
Smiles: OC(=O)CCn1c2ccccc2c2c1C1N(CC2)C(=O)c2c(N1C)cccc2

BBL035336
Synonyms: 3- [(5- hydroxy- 4- oxo- 4H- pyran- 2- yl)methyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: Oc1coc(cc1=O)CN1CC2CC(C1)c1n(C2)c(=O)ccc1

BBL035339
Synonyms: 5- methoxy- 2- (piperazin- 1- ylmethyl)- 4H- pyran- 4- one
Smiles: COc1coc(cc1=O)CN1CCNCC1

BBL035340
Synonyms: 7- amino- 2,3- dihydro- 1H- pyrrolo[2,1- c][1,4]benzodiazepine- 5,11(10H,11aH)- dione
Smiles: O=C1Nc2ccc(cc2C(=O)N2C1CCC2)N

BBL035341
Synonyms: 9- (3,4,5- trimethoxyphenyl)- 5a,6,8a,9- tetrahydrofuro[3',4':6,7]naphtho[2,3- d][1,3]dioxole- 5,8- dione
Smiles: COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(=O)c2c1cc1OCOc1c2

BBL035342
Synonyms: 3- amino- N- ethyl- 4- (8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl)benzamide
Smiles: CCNC(=O)c1ccc(c(c1)N)N1CC2CC(C1)c1n(C2)c(=O)ccc1

BBL035343
Synonyms: spirost- 5- en- 3- ylhexanoate
Smiles: CCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2(O3)CCC(CO2)C)C)C1)C

BBL035347
Synonyms: methanethiolate
Smiles: [S-]C

BBL035348
Synonyms: carbamodithioate
Smiles: [S-]C(=S)N

BBL035355
Synonyms: 4- {[(4- chlorophenyl)carbonyl]oxy}benzoicacid
Smiles: Clc1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)O

BBL035356
Synonyms: 4- formyl- 2- iodo- 6- methoxyphenylbenzenesulfonate
Smiles: O=Cc1cc(I)c(c(c1)OC)OS(=O)(=O)c1ccccc1

BBL035357
Synonyms: 2,4- dibromo- 6- formylphenyl4- methylbenzenesulfonate
Smiles: O=Cc1cc(Br)cc(c1OS(=O)(=O)c1ccc(cc1)C)Br

BBL035358
Synonyms: 2,4- dibromo- 6- formylphenyl4- chlorobenzenesulfonate
Smiles: O=Cc1cc(Br)cc(c1OS(=O)(=O)c1ccc(cc1)Cl)Br

BBL035359
Synonyms: {4- [(3,4- dichlorobenzyl)oxy]phenyl}methanol
Smiles: OCc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl

BBL035360
Synonyms: 3- bromo- 5- ethoxy- 4- {[(4- methylphenyl)sulfonyl]oxy}benzoicacid
Smiles: CCOc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)Br)C(=O)O

BBL035361
Synonyms: 3- ethoxy- 5- iodo- 4- {[(4- methylphenyl)sulfonyl]oxy}benzoicacid
Smiles: CCOc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)I)C(=O)O

BBL035362
Synonyms: 3- chloro- 5- methoxy- 4- {[(4- methylphenyl)sulfonyl]oxy}benzoicacid
Smiles: COc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)Cl)C(=O)O

BBL035363
Synonyms: 3- chloro- 4- {[(4- chlorophenyl)carbonyl]oxy}- 5- ethoxybenzoicacid
Smiles: CCOc1cc(cc(c1OC(=O)c1ccc(cc1)Cl)Cl)C(=O)O

BBL035364
Synonyms: 3- bromo- 4- {[(4- chlorophenyl)carbonyl]oxy}- 5- ethoxybenzoicacid
Smiles: CCOc1cc(cc(c1OC(=O)c1ccc(cc1)Cl)Br)C(=O)O

BBL035365
Synonyms: 4- {[(2- chlorophenyl)carbonyl]oxy}- 3- ethoxy- 5- iodobenzoicacid
Smiles: CCOc1cc(cc(c1OC(=O)c1ccccc1Cl)I)C(=O)O

BBL035366
Synonyms: (5E)- 2,6- dihydroxy- 5- (hydroxyimino)pyrimidin- 4(5H)- one
Smiles: O/N=C/1\C(=NC(=NC1=O)O)O

BBL035367
Synonyms: 3- bromo- 4- [(2- fluorobenzyl)oxy]benzaldehyde
Smiles: O=Cc1ccc(c(c1)Br)OCc1ccccc1F

BBL035368
Synonyms: 1- [2- (diethylamino)ethyl]- 1H- benzimidazole- 2- sulfonicacid
Smiles: CCN(CCn1c2ccccc2nc1S(=O)(=O)O)CC

BBL035369
Synonyms: 3,5- dichloro- 2- (prop- 2- en- 1- yloxy)benzaldehyde
Smiles: C=CCOc1c(Cl)cc(cc1C=O)Cl

BBL035370
Synonyms: 3,4- diethoxy- 5- iodobenzoicacid
Smiles: CCOc1cc(cc(c1OCC)I)C(=O)O

BBL035371
Synonyms: 4- ethoxy- 3- iodo- 5- methoxybenzoicacid
Smiles: CCOc1c(I)cc(cc1OC)C(=O)O

BBL035372
Synonyms: 3- ethoxy- 5- iodo- 4- propoxybenzoicacid
Smiles: CCCOc1c(I)cc(cc1OCC)C(=O)O

BBL035373
Synonyms: 3- iodo- 5- methoxy- 4- propoxybenzoicacid
Smiles: CCCOc1c(I)cc(cc1OC)C(=O)O

BBL035374
Synonyms: 3- ethoxy- 5- iodo- 4- methoxybenzoicacid
Smiles: CCOc1cc(cc(c1OC)I)C(=O)O

BBL035375
Synonyms: 2- (4- chloro- 2- formylphenoxy)- N- (2- methoxyphenyl)acetamide
Smiles: O=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1OC

BBL035376
Synonyms: 2- (2- chloro- 4- formyl- 6- methoxyphenoxy)- N- (2- methoxyphenyl)acetamide
Smiles: O=Cc1cc(Cl)c(c(c1)OC)OCC(=O)Nc1ccccc1OC

BBL035377
Synonyms: 2- (4- chloro- 2- formylphenoxy)- N- (2- fluorophenyl)acetamide
Smiles: O=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1F

BBL035378
Synonyms: 2- (2- chloro- 6- ethoxy- 4- formylphenoxy)- N- (2- methoxyphenyl)acetamide
Smiles: CCOc1cc(C=O)cc(c1OCC(=O)Nc1ccccc1OC)Cl

BBL035379
Synonyms: 2- (3- formylphenoxy)- N- (2- methoxyphenyl)acetamide
Smiles: COc1ccccc1NC(=O)COc1cccc(c1)C=O

BBL035380
Synonyms: 2- (4- chloro- 2- formylphenoxy)- N- (4- methoxyphenyl)acetamide
Smiles: O=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)OC

BBL035381
Synonyms: 2- (2- chloro- 4- formylphenoxy)- N- (2- methoxyphenyl)acetamide
Smiles: COc1ccccc1NC(=O)COc1ccc(cc1Cl)C=O

BBL035382
Synonyms: 2- (2- chloro- 4- formylphenoxy)- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)COc1ccc(cc1Cl)C=O

BBL035383
Synonyms: 2- (3- cyano- 4,6- dimethyl- 2- oxopyridin- 1(2H)- yl)- N- [4- (difluoromethoxy)phenyl]acetamide
Smiles: N#Cc1c(C)cc(n(c1=O)CC(=O)Nc1ccc(cc1)OC(F)F)C

BBL035384
Synonyms: 3- chloro- 4- [(4- fluorobenzyl)oxy]- 5- methoxybenzoicacid
Smiles: COc1cc(cc(c1OCc1ccc(cc1)F)Cl)C(=O)O

BBL035385
Synonyms: 3,5- dibromo- 4- [(2- fluorobenzyl)oxy]benzoicacid
Smiles: Brc1cc(cc(c1OCc1ccccc1F)Br)C(=O)O

BBL035386
Synonyms: 4- [(2- cyanobenzyl)oxy]- 3- iodo- 5- methoxybenzoicacid
Smiles: COc1cc(cc(c1OCc1ccccc1C#N)I)C(=O)O

BBL035387
Synonyms: 1- [(4- fluorophenyl)carbonyl]- 1H- indole- 3- carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)C(=O)c1ccc(cc1)F

BBL035388
Synonyms: 1- [(2- methoxyphenyl)carbonyl]- 1H- indole- 3- carbonitrile
Smiles: COc1ccccc1C(=O)n1cc(c2c1cccc2)C#N

BBL035389
Synonyms: 1- [(2- methylphenyl)carbonyl]- 1H- indole- 3- carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)C(=O)c1ccccc1C

BBL035390
Synonyms: 1- [(2,4- difluorophenoxy)acetyl]- 1H- indole- 3- carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)C(=O)COc1ccc(cc1F)F

BBL035391
Synonyms: 1- {[3- (propan- 2- yloxy)phenyl]carbonyl}- 1H- indole- 3- carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)C(=O)c1cccc(c1)OC(C)C

BBL035392
Synonyms: 1- [(3- bromophenyl)carbonyl]- 1H- indole- 3- carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)C(=O)c1cccc(c1)Br

BBL035393
Synonyms: 1- [(3- chlorophenyl)carbonyl]- 1H- indole- 3- carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)C(=O)c1cccc(c1)Cl

BBL035394
Synonyms: 1- [(2,4- dichlorophenyl)carbonyl]- 1H- indole- 3- carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)C(=O)c1ccc(cc1Cl)Cl

BBL035395
Synonyms: 1- [(2- chloro- 4- methylphenyl)carbonyl]- 1H- indole- 3- carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)C(=O)c1ccc(cc1Cl)C

BBL035396
Synonyms: 1- (thiophen- 2- ylcarbonyl)- 1H- indole- 3- carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)C(=O)c1cccs1

BBL035397
Synonyms: 2- oxo- 2- (1,3- thiazol- 2- ylamino)ethylthiocyanate
Smiles: N#CSCC(=O)Nc1nccs1

BBL035398
Synonyms: 3- {[(3- methoxyphenyl)carbonyl]amino}- 4- (4- methylpiperazin- 1- yl)benzoicacid
Smiles: COc1cccc(c1)C(=O)Nc1cc(ccc1N1CCN(CC1)C)C(=O)O

BBL035399
Synonyms: 4- [(2- chloro- 6- fluorobenzyl)oxy]- 3- ethoxy- 5- iodobenzoicacid
Smiles: CCOc1cc(cc(c1OCc1c(F)cccc1Cl)I)C(=O)O

BBL035400
Synonyms: 3- chloro- 5- methoxy- 4- {[(4- methylphenyl)carbonyl]oxy}benzoicacid
Smiles: COc1cc(cc(c1OC(=O)c1ccc(cc1)C)Cl)C(=O)O

BBL035401
Synonyms: 1- (2- chloro- 4- fluorobenzyl)- 1H- indole- 3- carboxylicacid
Smiles: Fc1ccc(c(c1)Cl)Cn1cc(c2c1cccc2)C(=O)O

BBL035402
Synonyms: 4- ({[4- (acetylamino)phenyl]sulfonyl}oxy)- 3- ethoxy- 5- iodobenzoicacid
Smiles: CCOc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)NC(=O)C)I)C(=O)O

BBL035403
Synonyms: 3- chloro- 4- (5,6- dimethyl- 1,3- benzoxazol- 2- yl)aniline
Smiles: Nc1ccc(c(c1)Cl)c1oc2c(n1)cc(c(c2)C)C

BBL035404
Synonyms: 4- (5- amino- 3- benzyl- 4- phenyl- 1H- pyrazol- 1- yl)benzoicacid
Smiles: OC(=O)c1ccc(cc1)n1nc(c(c1N)c1ccccc1)Cc1ccccc1

BBL035405
Synonyms: 3- chloro- 4- [2- nitro- 4- (trifluoromethyl)phenoxy]benzaldehyde
Smiles: O=Cc1ccc(c(c1)Cl)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F

BBL035406
Synonyms: 4- bromo- 2- [4- (prop- 2- en- 1- yl)- 5- sulfanyl- 4H- 1,2,4- triazol- 3- yl]phenol
Smiles: C=CCn1c(S)nnc1c1cc(Br)ccc1O

BBL035407
Synonyms: 2- [(2- bromo- 4- formyl- 6- methoxyphenoxy)methyl]benzonitrile
Smiles: O=Cc1cc(Br)c(c(c1)OC)OCc1ccccc1C#N

BBL035408
Synonyms: 2- (2- ethoxy- 4- formylphenoxy)- N- (2- fluorophenyl)acetamide
Smiles: CCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1F

BBL035409
Synonyms: 2- (4- bromo- 2- formylphenoxy)- N- (2- fluorophenyl)acetamide
Smiles: O=Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1F

BBL035410
Synonyms: 2- (2- bromo- 4- formyl- 6- methoxyphenoxy)- N- (2- fluorophenyl)acetamide
Smiles: O=Cc1cc(Br)c(c(c1)OC)OCC(=O)Nc1ccccc1F

BBL035411
Synonyms: 2- (2- bromo- 4- formylphenoxy)- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)COc1ccc(cc1Br)C=O

BBL035412
Synonyms: 2- (2- bromo- 6- ethoxy- 4- formylphenoxy)- N- (4- methoxyphenyl)acetamide
Smiles: CCOc1cc(C=O)cc(c1OCC(=O)Nc1ccc(cc1)OC)Br

BBL035413
Synonyms: 2- amino- 6- methyl- 5- propylpyrimidin- 4- ol
Smiles: CCCc1c(C)nc(nc1O)N

BBL035414
Synonyms: 5- iodopyrimidine- 2,4- diol
Smiles: Oc1ncc(c(n1)O)I

BBL035415
Synonyms: 3- (5H- dibenzo[a,d][7]annulen- 5- ylidene)- N,N- dimethylpropan- 1- amine
Smiles: CN(CC/C=C/1\c2ccccc2C=Cc2c1cccc2)C

BBL035416
Synonyms: 2- (4- chlorophenyl)- 9- (3- chloropropyl)- 9H- imidazo[1,2- a]benzimidazole
Smiles: ClCCCn1c2nc(cn2c2c1cccc2)c1ccc(cc1)Cl

BBL035417
Synonyms: 5- chloro- 2- [2- nitro- 4- (trifluoromethyl)phenoxy]benzaldehyde
Smiles: O=Cc1cc(Cl)ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F

BBL035418
Synonyms: N- (2- aminoethyl)tridecanamide
Smiles: CCCCCCCCCCCCC(=O)NCCN

BBL035419
Synonyms: (2E)- 4- oxo- 4- {[2- (tridecanoylamino)ethyl]amino}but- 2- enoicacid
Smiles: CCCCCCCCCCCCC(=O)NCCNC(=O)/C=C/C(=O)O

BBL035420
Synonyms: {diethyl[2- hydroxy- 3- (tridecanoylamino)propyl]ammonio}acetate
Smiles: CCCCCCCCCCCCC(=O)NCC(C[N+](CC(=O)[O-])(CC)CC)O

BBL035421
Synonyms: N,N- diethyl- 2- hydroxy- N- methyl- 3- (tridecanoylamino)propan- 1- aminium
Smiles: CCCCCCCCCCCCC(=O)NCC(C[N+](CC)(CC)C)O

BBL035422
Synonyms: 6- (4- benzylpiperidin- 1- yl)- 2- chloro- 3- nitropyridine
Smiles: [O-][N+](=O)c1ccc(nc1Cl)N1CCC(CC1)Cc1ccccc1

BBL035423
Synonyms: 2- chloro- 6- (3- methylpiperidin- 1- yl)- 3- nitropyridine
Smiles: CC1CCCN(C1)c1ccc(c(n1)Cl)[N+](=O)[O-]

BBL035424
Synonyms: 2- chloro- 6- (3,5- dimethylpiperidin- 1- yl)- 3- nitropyridine
Smiles: CC1CC(C)CN(C1)c1ccc(c(n1)Cl)[N+](=O)[O-]

BBL035425
Synonyms: 4- (6- chloro- 5- nitropyridin- 2- yl)- 2,6- dimethylmorpholine
Smiles: CC1OC(C)CN(C1)c1ccc(c(n1)Cl)[N+](=O)[O-]

BBL035426
Synonyms: ethyl1- (6- chloro- 5- nitropyridin- 2- yl)piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)c1ccc(c(n1)Cl)[N+](=O)[O-]

BBL035427
Synonyms: 1- (6- chloro- 5- nitropyridin- 2- yl)piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)c1ccc(c(n1)Cl)[N+](=O)[O-]

BBL035428
Synonyms: 6- chloro- 5- nitro- N,N- dipropylpyridin- 2- amine
Smiles: CCCN(c1ccc(c(n1)Cl)[N+](=O)[O-])CCC

BBL035429
Synonyms: 6- chloro- N- (4- methoxyphenyl)- 5- nitropyridin- 2- amine
Smiles: COc1ccc(cc1)Nc1ccc(c(n1)Cl)[N+](=O)[O-]

BBL035430
Synonyms: N~6~,N~6~- dimethyl- 3- nitropyridine- 2,6- diamine
Smiles: CN(c1ccc(c(n1)N)[N+](=O)[O-])C

BBL035431
Synonyms: N~6~,N~6~- diethyl- 3- nitropyridine- 2,6- diamine
Smiles: CCN(c1ccc(c(n1)N)[N+](=O)[O-])CC

BBL035432
Synonyms: 9- (5- O- phosphonatopentofuranosyl)- 9H- purin- 6- amine
Smiles: OC1C(O)C(OC1n1cnc2c1ncnc2N)COP(=O)([O-])[O-]

BBL035433
Synonyms: N- [(E)- phenylmethylidene]benzene- 1,2- diamine
Smiles: Nc1ccccc1/N=C/c1ccccc1

BBL035434
Synonyms: N- {4- [(2E)- 3- phenylprop- 2- enoyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1

BBL035435
Synonyms: N- {4- [(2E)- 3- (4- methoxyphenyl)prop- 2- enoyl]phenyl}- 4- methylbenzenesulfonamide
Smiles: COc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C

BBL035436
Synonyms: N- (4- {(2E)- 3- [4- (propan- 2- yl)phenyl]prop- 2- enoyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)C(C)C

BBL035437
Synonyms: N- {4- [(2E)- 3- (4- ethylphenyl)prop- 2- enoyl]phenyl}acetamide
Smiles: CCc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)NC(=O)C

BBL035438
Synonyms: methyl3- nitro- 4- (phenylamino)benzoate
Smiles: COC(=O)c1ccc(c(c1)[N+](=O)[O-])Nc1ccccc1

BBL035439
Synonyms: ethyl5- (3- methoxy- 2- propoxyphenyl)- 7- methyl- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCCOc1c(OC)cccc1C1C(=C(C)N=C2N1C(=O)CS2)C(=O)OCC

BBL035440
Synonyms: methyl(5- formyl- 2- methoxyphenoxy)acetate
Smiles: COc1ccc(cc1OCC(=O)OC)C=O

BBL035441
Synonyms: N- (4- amino- 3- methoxyphenyl)cyclopropanecarboxamide
Smiles: COc1cc(ccc1N)NC(=O)C1CC1

BBL035442
Synonyms: 5- (1- benzothiophen- 2- yl)- 1,3,4- oxadiazole- 2- thiol
Smiles: Sc1nnc(o1)c1cc2c(s1)cccc2

BBL035443
Synonyms: 2- [(5- formylfuran- 2- yl)sulfanyl]pyridine- 3- carbonitrile
Smiles: O=Cc1ccc(o1)Sc1ncccc1C#N

BBL035444
Synonyms: 4- {[(4- methylphenyl)carbonyl]oxy}benzoicacid
Smiles: Cc1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)O

BBL035445
Synonyms: 4- {[(4- methoxyphenyl)sulfonyl]oxy}benzoicacid
Smiles: COc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)C(=O)O

BBL035446
Synonyms: methyl1- (phenylcarbonyl)prolinate
Smiles: COC(=O)C1CCCN1C(=O)c1ccccc1

BBL035447
Synonyms: bis(4- hydroxyphenyl)aceticacid
Smiles: OC(=O)C(c1ccc(cc1)O)c1ccc(cc1)O

BBL035448
Synonyms: 4- amino- N- (naphthalen- 1- yl)benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)Nc1cccc2c1cccc2

BBL035449
Synonyms: 4- amino- N- (4- bromophenyl)benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)Br

BBL035450
Synonyms: 4- amino- N- (3- chloro- 2- methylphenyl)benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1C)Cl

BBL035451
Synonyms: 4- amino- N- (2,3- dichlorophenyl)benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1Cl)Cl

BBL035452
Synonyms: 4- amino- N- (5- chloro- 2- methylphenyl)benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)Nc1cc(Cl)ccc1C

BBL035453
Synonyms: 4- amino- N- (3- chloro- 4- methylphenyl)benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)Cl)C

BBL035454
Synonyms: 4- amino- N- (2,5- dichlorophenyl)benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)Nc1cc(Cl)ccc1Cl

BBL035455
Synonyms: 4- amino- N- (4- chloro- 2- methylphenyl)benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1C)Cl

BBL035456
Synonyms: N- (3- aminophenyl)- N- methylmethanesulfonamide
Smiles: Nc1cccc(c1)N(S(=O)(=O)C)C

BBL035457
Synonyms: 8- chloronaphthalene- 1- sulfonate
Smiles: Clc1cccc2c1c(ccc2)S(=O)(=O)[O-]

BBL035458
Synonyms: 4- [(2- cyanobenzyl)oxy]- 3- methoxybenzoicacid
Smiles: COc1cc(ccc1OCc1ccccc1C#N)C(=O)O

BBL035459
Synonyms: 5- amino- 2- (methylamino)benzamide
Smiles: CNc1ccc(cc1C(=O)N)N

BBL035460
Synonyms: 3- chloro- 4- [(4- chlorobenzyl)oxy]- 5- methoxybenzoicacid
Smiles: COc1cc(cc(c1OCc1ccc(cc1)Cl)Cl)C(=O)O

BBL035461
Synonyms: 3- bromo- 5- ethoxy- 4- [(4- nitrobenzyl)oxy]benzoicacid
Smiles: CCOc1cc(cc(c1OCc1ccc(cc1)[N+](=O)[O-])Br)C(=O)O

BBL035462
Synonyms: 3- ethoxy- 5- iodo- 4- (naphthalen- 1- ylmethoxy)benzoicacid
Smiles: CCOc1cc(cc(c1OCc1cccc2c1cccc2)I)C(=O)O

BBL035463
Synonyms: 3- ethoxy- 4- [2- nitro- 4- (trifluoromethyl)phenoxy]benzoicacid
Smiles: CCOc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C(=O)O

BBL035464
Synonyms: 2- amino- 5- methylbenzene- 1,4- disulfonate
Smiles: Cc1cc(c(cc1S(=O)(=O)[O-])N)S(=O)(=O)[O-]

BBL035465
Synonyms: 4- amino- 3- methylbenzenesulfonate
Smiles: Nc1ccc(cc1C)S(=O)(=O)[O-]

BBL035466
Synonyms: 3- bromo- 4- {2- [(2- bromo- 4,5- dimethylphenyl)amino]- 2- oxoethoxy}benzoicacid
Smiles: O=C(Nc1cc(C)c(cc1Br)C)COc1ccc(cc1Br)C(=O)O

BBL035467
Synonyms: 6- (3,4- dihydroquinolin- 1(2H)- yl)- 3- nitropyridin- 2- amine
Smiles: [O-][N+](=O)c1ccc(nc1N)N1CCCc2c1cccc2

BBL035468
Synonyms: 3- bromo- 5- ethoxy- 4- [(3- methylbenzyl)oxy]benzoicacid
Smiles: CCOc1cc(cc(c1OCc1cccc(c1)C)Br)C(=O)O

BBL035469
Synonyms: (2E)- 3- {4- [(2- chloro- 6- fluorobenzyl)oxy]- 3- ethoxyphenyl}prop- 2- enoicacid
Smiles: CCOc1cc(/C=C/C(=O)O)ccc1OCc1c(F)cccc1Cl

BBL035470
Synonyms: 1- (6- amino- 5- nitropyridin- 2- yl)piperidin- 4- ol
Smiles: OC1CCN(CC1)c1ccc(c(n1)N)[N+](=O)[O-]

BBL035471
Synonyms: 3- nitro- N~6~,N~6~- di(propan- 2- yl)pyridine- 2,6- diamine
Smiles: CC(N(c1ccc(c(n1)N)[N+](=O)[O-])C(C)C)C

BBL035472
Synonyms: 3- methoxy- 4- [(phenylsulfonyl)oxy]benzoicacid
Smiles: COc1cc(ccc1OS(=O)(=O)c1ccccc1)C(=O)O

BBL035473
Synonyms: 4- {[(4- chlorophenyl)sulfonyl]oxy}- 3- ethoxy- 5- iodobenzoicacid
Smiles: CCOc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)Cl)I)C(=O)O

BBL035474
Synonyms: 3- bromo- 4- {[(4- chlorophenyl)sulfonyl]oxy}- 5- ethoxybenzoicacid
Smiles: CCOc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)Cl)Br)C(=O)O

BBL035475
Synonyms: 6- (2,3- dihydro- 1H- indol- 1- yl)- 3- nitropyridin- 2- amine
Smiles: [O-][N+](=O)c1ccc(nc1N)N1CCc2c1cccc2

BBL035476
Synonyms: 6- [4- (2- methoxyphenyl)piperazin- 1- yl]- 3- nitropyridin- 2- amine
Smiles: COc1ccccc1N1CCN(CC1)c1ccc(c(n1)N)[N+](=O)[O-]

BBL035477
Synonyms: N~6~- cyclopropyl- 3- nitropyridine- 2,6- diamine
Smiles: [O-][N+](=O)c1ccc(nc1N)NC1CC1

BBL035478
Synonyms: 3- nitro- N~6~- (propan- 2- yl)pyridine- 2,6- diamine
Smiles: CC(Nc1ccc(c(n1)N)[N+](=O)[O-])C

BBL035479
Synonyms: 3- chloro- 5- ethoxy- 4- [(phenylsulfonyl)oxy]benzoicacid
Smiles: CCOc1cc(cc(c1OS(=O)(=O)c1ccccc1)Cl)C(=O)O

BBL035480
Synonyms: 3- ethoxy- 4- {[(4- methylphenyl)sulfonyl]oxy}benzoicacid
Smiles: CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C(=O)O

BBL035481
Synonyms: 4- ({[4- (acetylamino)phenyl]sulfonyl}oxy)- 3- chloro- 5- ethoxybenzoicacid
Smiles: CCOc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)NC(=O)C)Cl)C(=O)O

BBL035482
Synonyms: 3- methoxy- 4- {[(4- methylphenyl)carbonyl]oxy}benzoicacid
Smiles: COc1cc(ccc1OC(=O)c1ccc(cc1)C)C(=O)O

BBL035483
Synonyms: 1- [(2- fluorophenyl)carbonyl]- 1H- indole- 5- carbonitrile
Smiles: N#Cc1ccc2c(c1)ccn2C(=O)c1ccccc1F

BBL035484
Synonyms: 1- [(4- fluorophenyl)carbonyl]- 1H- indole- 5- carbonitrile
Smiles: N#Cc1ccc2c(c1)ccn2C(=O)c1ccc(cc1)F

BBL035485
Synonyms: 1- [(3- bromophenyl)carbonyl]- 1H- indole- 5- carbonitrile
Smiles: N#Cc1ccc2c(c1)ccn2C(=O)c1cccc(c1)Br

BBL035486
Synonyms: 2- bromo- 4- [(2- cyanobenzyl)oxy]- 5- methoxybenzoicacid
Smiles: COc1cc(C(=O)O)c(cc1OCc1ccccc1C#N)Br

BBL035487
Synonyms: 3- bromo- 4- {[(2- chlorophenyl)carbonyl]oxy}- 5- ethoxybenzoicacid
Smiles: CCOc1cc(cc(c1OC(=O)c1ccccc1Cl)Br)C(=O)O

BBL035488
Synonyms: 3- ethoxy- 5- iodo- 4- [(phenylcarbonyl)oxy]benzoicacid
Smiles: CCOc1cc(cc(c1OC(=O)c1ccccc1)I)C(=O)O

BBL035489
Synonyms: 2- carbamoyl- 3- chloro- 6- methylbenzoicacid
Smiles: NC(=O)c1c(Cl)ccc(c1C(=O)O)C

BBL035490
Synonyms: 1- [(3,4- dichlorophenyl)carbonyl]- 1H- indole- 5- carbonitrile
Smiles: N#Cc1ccc2c(c1)ccn2C(=O)c1ccc(c(c1)Cl)Cl

BBL035491
Synonyms: 4- (methylamino)- 3,5- dinitrobenzamide
Smiles: CNc1c(cc(cc1[N+](=O)[O-])C(=O)N)[N+](=O)[O-]

BBL035492
Synonyms: 7- methyl- 5- nitro- 2- [(3s,5s,7s)- tricyclo[3.3.1.1~3,7~]dec- 1- yl]- 1,3- benzoxazole
Smiles: [O-][N+](=O)c1cc(C)c2c(c1)nc(o2)C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3

BBL035493
Synonyms: 3- aminonaphthalene- 2,7- disulfonicacid
Smiles: Nc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O

BBL035494
Synonyms: 5- amino- 4- hydroxy- 8- sulfonaphthalene- 2- sulfonate
Smiles: Oc1cc(cc2c1c(N)ccc2S(=O)(=O)O)S(=O)(=O)[O-]

BBL035495
Synonyms: 3,3'- (E)- ethene- 1,2- diylbis(6- aminobenzenesulfonicacid)
Smiles: Nc1ccc(cc1S(=O)(=O)O)/C=C/c1ccc(c(c1)S(=O)(=O)O)N

BBL035496
Synonyms: N- (4- aminophenyl)- 2- (naphthalen- 2- yloxy)acetamide
Smiles: O=C(Nc1ccc(cc1)N)COc1ccc2c(c1)cccc2

BBL035497
Synonyms: 4'- aminobiphenyl- 4- sulfonate
Smiles: Nc1ccc(cc1)c1ccc(cc1)S(=O)(=O)[O-]

BBL035498
Synonyms: biphenyl- 4- sulfonate
Smiles: [O-]S(=O)(=O)c1ccc(cc1)c1ccccc1

BBL035499
Synonyms: 5- amino- 3- hydroxynaphthalene- 2,7- disulfonicacid
Smiles: Nc1cc(cc2c1cc(O)c(c2)S(=O)(=O)O)S(=O)(=O)O

BBL035500
Synonyms: 4- amino- 5- hydroxynaphthalene- 1,3- disulfonicacid
Smiles: Oc1cccc2c1c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O

BBL035501
Synonyms: 3- ethoxy- 4- [(3- nitrobenzyl)oxy]benzoicacid
Smiles: CCOc1cc(ccc1OCc1cccc(c1)[N+](=O)[O-])C(=O)O

BBL035502
Synonyms: 2- bromo- 5- methoxy- 4- [(4- nitrobenzyl)oxy]benzoicacid
Smiles: COc1cc(C(=O)O)c(cc1OCc1ccc(cc1)[N+](=O)[O-])Br

BBL035503
Synonyms: 5- (2- amino- 4,5- dimethylphenyl)furan- 2- carboxylicacid
Smiles: Nc1cc(C)c(cc1c1ccc(o1)C(=O)O)C

BBL035504
Synonyms: 1- (3- chlorophenyl)- 3- methyl- 1H- pyrazol- 5- ol
Smiles: Clc1cccc(c1)n1nc(cc1O)C

BBL035505
Synonyms: 2- methyl- 3- oxo- 3- phenylpropanoicacid
Smiles: CC(C(=O)c1ccccc1)C(=O)O

BBL035506
Synonyms: 4- chlorobenzene- 1,2- dicarboxylicacid
Smiles: Clc1ccc(c(c1)C(=O)O)C(=O)O

BBL035507
Synonyms: 1,4- dimethoxy- 2,5- dinitrobenzene
Smiles: COc1cc([N+](=O)[O-])c(cc1[N+](=O)[O-])OC

BBL035508
Synonyms: 7- hydroxynaphthalene- 1,3,6- trisulfonicacid
Smiles: Oc1cc2c(cc1S(=O)(=O)O)cc(cc2S(=O)(=O)O)S(=O)(=O)O

BBL035509
Synonyms: 4- (phenylamino)benzenesulfonate
Smiles: [O-]S(=O)(=O)c1ccc(cc1)Nc1ccccc1

BBL035510
Synonyms: naphthalene- 1,8- disulfonicacid
Smiles: OS(=O)(=O)c1cccc2c1c(ccc2)S(=O)(=O)O

BBL035511
Synonyms: 2- bromo- 5- [(3s,5s,7s)- tricyclo[3.3.1.1~3,7~]dec- 1- yl]aniline
Smiles: Brc1ccc(cc1N)C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3

BBL035512
Synonyms: 7- amino- 3- methyl- 2- phenylpyrazolo[1,5- a]pyrimidine- 6- carbonitrile
Smiles: N#Cc1cnc2n(c1N)nc(c2C)c1ccccc1

BBL035513
Synonyms: ethyl4- [(4- bromobenzyl)oxy]benzoate
Smiles: CCOC(=O)c1ccc(cc1)OCc1ccc(cc1)Br

BBL035514
Synonyms: N- [1- hydrazinyl- 3- (4- hydroxyphenyl)- 1- oxopropan- 2- yl]- 2,2- dimethylpropanamide(non- preferredname)
Smiles: NNC(=O)C(Cc1ccc(cc1)O)NC(=O)C(C)(C)C

BBL035515
Synonyms: methylN- [(2,4- dichlorophenoxy)acetyl]- beta- alaninate
Smiles: COC(=O)CCNC(=O)COc1ccc(cc1Cl)Cl

BBL035516
Synonyms: methylN- [(4- nitrophenyl)sulfonyl]alaninate
Smiles: COC(=O)C(NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C

BBL035517
Synonyms: 4- nitrophenylN- (2,4- dinitrophenyl)glycinate
Smiles: O=C(Oc1ccc(cc1)[N+](=O)[O-])CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

BBL035518
Synonyms: ethylO- methyl- N- (phenylcarbonyl)tyrosinate
Smiles: CCOC(=O)C(Cc1ccc(cc1)OC)NC(=O)c1ccccc1

BBL035519
Synonyms: methyl1- [(2,4- dinitrophenyl)carbonyl]piperidine- 4- carboxylate
Smiles: COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

BBL035520
Synonyms: ethylN- [(4- chlorophenyl)sulfonyl]tyrosinate
Smiles: CCOC(=O)C(NS(=O)(=O)c1ccc(cc1)Cl)Cc1ccc(cc1)O

BBL035521
Synonyms: methylN- [(4- nitrophenyl)sulfonyl]phenylalaninate
Smiles: COC(=O)C(NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])Cc1ccccc1

BBL035522
Synonyms: methylN- [(4- nitrophenyl)sulfonyl]- beta- alaninate
Smiles: COC(=O)CCNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

BBL035523
Synonyms: ethylN- acetylphenylalaninate
Smiles: CCOC(=O)C(Cc1ccccc1)NC(=O)C

BBL035524
Synonyms: N- {2- [(2- hydrazinyl- 2- oxoethyl)amino]- 2- oxoethyl}benzamide
Smiles: NNC(=O)CNC(=O)CNC(=O)c1ccccc1

BBL035525
Synonyms: 3- bromo- 4- [(4- chlorobenzyl)oxy]- 5- methoxybenzoicacid
Smiles: COc1cc(cc(c1OCc1ccc(cc1)Cl)Br)C(=O)O

BBL035526
Synonyms: 4- {[4,6- di(piperidin- 1- yl)- 1,3,5- triazin- 2- yl]amino}benzoicacid
Smiles: OC(=O)c1ccc(cc1)Nc1nc(nc(n1)N1CCCCC1)N1CCCCC1

BBL035527
Synonyms: 3- {[4,6- di(piperidin- 1- yl)- 1,3,5- triazin- 2- yl]amino}benzoicacid
Smiles: OC(=O)c1cccc(c1)Nc1nc(nc(n1)N1CCCCC1)N1CCCCC1

BBL035528
Synonyms: methyl1- [(4- nitrophenyl)sulfonyl]piperidine- 4- carboxylate
Smiles: COC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

BBL035529
Synonyms: 1- ethyl- 2- methylquinolinium
Smiles: CC[n+]1c(C)ccc2c1cccc2

BBL035530
Synonyms: naphthalene- 2- sulfonate
Smiles: [O-]S(=O)(=O)c1ccc2c(c1)cccc2

BBL035531
Synonyms: naphthalene- 1- sulfonate
Smiles: [O-]S(=O)(=O)c1cccc2c1cccc2

BBL035532
Synonyms: 6- methoxy- 8- methyl- 3,4- dihydronaphthalen- 1(2H)- one
Smiles: COc1cc2CCCC(=O)c2c(c1)C

BBL035533
Synonyms: 3- {2- [1- (2- methoxyethyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]- 2- oxoethyl}- 1,3- thiazolidine- 2,4- dione
Smiles: COCCn1c(C)cc(c1C)C(=O)CN1C(=O)CSC1=O

BBL035534
Synonyms: 1,2- dinitronaphthalene
Smiles: [O-][N+](=O)c1c(ccc2c1cccc2)[N+](=O)[O-]

BBL035535
Synonyms: 4- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)benzene- 1,2- diamine
Smiles: Nc1ccc(cc1N)C12CC3CC(C2)CC(C1)C3

BBL035536
Synonyms: (2E)- 3- (2- hydroxy- 3- nitrophenyl)- 2- methylprop- 2- enal
Smiles: O=C/C(=C/c1cccc(c1O)[N+](=O)[O-])/C

BBL035537
Synonyms: N'- [(1Z)- 1- cyano- 3,3- dimethylbut- 1- en- 2- yl]- 4- methylbenzenesulfonohydrazide
Smiles: N#C/C=C(/C(C)(C)C)\NNS(=O)(=O)c1ccc(cc1)C

BBL034617
Synonyms: (4- bromophenyl)(phenyl)methanone
Smiles: Brc1ccc(cc1)C(=O)c1ccccc1

STK000027
Synonyms: 1- [(2- hydroxyethyl)amino]- 4- (methylamino)anthracene- 9,10- dione
Smiles: OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC

STK000038
Synonyms: 2- (benzylsulfanyl)- 5- phenylpyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1NC(=NC(=O)C1c1ccccc1)SCc1ccccc1

STK000054
Synonyms: propyl4- (2,5- dioxo- 2,5- dihydro- 1H- pyrrol- 1- yl)benzoate
Smiles: CCCOC(=O)c1ccc(cc1)N1C(=O)C=CC1=O

STK000062
Synonyms: (aminomethyl)(morpholin- 4- ylmethyl)phosphinicacid
Smiles: NCP(=O)(CN1CCOCC1)O

STK000065
Synonyms: 2- amino- 4- (4- hydroxyphenyl)- 7- methyl- 5- oxo- 5,6- dihydro- 4H- pyrano[3,2- c]pyridine- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)O)c(=O)[nH]c(c2)C

STK000076
Synonyms: 9- (benzyloxy)- 8- methoxy- 5,5- dimethyl- 3- phenyl- 5,6- dihydro[1,2,4]triazolo[3,4- a]isoquinoline
Smiles: COc1cc2CC(C)(C)n3c(c2cc1OCc1ccccc1)nnc3c1ccccc1

STK000113
Synonyms: N- {(2Z)- 3- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]- 2H- chromen- 2- ylidene}pyridin- 2- amine
Smiles: CCc1ccc(cc1)c1csc(n1)c1cc2ccccc2o/c/1=N\c1ccccn1

STK000120
Synonyms: 2- phenyl- N- {4- [4- (phenylcarbonyl)piperazin- 1- yl]phenyl}acetamide
Smiles: O=C(Cc1ccccc1)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1

STK000134
Synonyms: N- methyl- N- [(6- phenylimidazo[2,1- b][1,3]thiazol- 5- yl)methyl]butan- 1- amine
Smiles: CCCCN(Cc1c(nc2n1ccs2)c1ccccc1)C

STK000148
Synonyms: (4Z)- 4- (3- bromo- 4- hydroxy- 5- methoxybenzylidene)- 2- (4- chlorophenyl)- 5- (trifluoromethyl)- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: COc1cc(/C=C/2\C(=O)N(N=C2C(F)(F)F)c2ccc(cc2)Cl)cc(c1O)Br

STK000158
Synonyms: disodium2- {[(dimethylamino)methyl]phosphinato}ethanesulfonate
Smiles: [Na]OP(=O)(CN(C)C)CCS(=O)(=O)O[Na]

STK000179
Synonyms: methyl(2Z)- {2- [(2E)- 2- benzylidenehydrazinyl]- 4- oxo- 1,3- thiazolidin- 5- ylidene}ethanoate
Smiles: COC(=O)/C=C/1\SC(NC1=O)N/N=C/c1ccccc1

STK000187
Synonyms: N- [2- chloro- 5- (5- methyl- 1,3- benzoxazol- 2- yl)phenyl]- 3- ethoxybenzamide
Smiles: CCOc1cccc(c1)C(=O)Nc1cc(ccc1Cl)c1nc2c(o1)ccc(c2)C

STK000191
Synonyms: 2- (furan- 2- yl)- 5- (phenoxymethyl)- 1,3,4- oxadiazole
Smiles: c1ccc(cc1)OCc1nnc(o1)c1ccco1

STK000197
Synonyms: 4- (ethoxycarbonyl)- 4- (1,3- thiazol- 4- yl)octanoicacid
Smiles: CCCCC(c1ncsc1)(C(=O)OCC)CCC(=O)O

STK000208
Synonyms: N- cyclohexyl- N'- {2,5- dimethoxy- 4- [(phenylcarbonyl)amino]phenyl}pentanediamide
Smiles: COc1cc(NC(=O)c2ccccc2)c(cc1NC(=O)CCCC(=O)NC1CCCCC1)OC

STK000231
Synonyms: 3- {[(E)- phenylmethylidene]amino}- 1,3- oxazol- 2(3H)- one
Smiles: O=c1occn1/N=C/c1ccccc1

STK000241
Synonyms: N- {4- [(1- bromonaphthalen- 2- yl)oxy]- 3- chlorophenyl}- 3,5- dichloro- 2- hydroxybenzamide
Smiles: Clc1cc(Cl)c(c(c1)C(=O)Nc1ccc(c(c1)Cl)Oc1ccc2c(c1Br)cccc2)O

STK000260
Synonyms: ethyl(2Z)- 2- (2- hydroxybenzylidene)- 7- methyl- 5- [4- (methylsulfanyl)phenyl]- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)/c(=C/c1ccccc1O)/s2

STK000275
Synonyms: (5Z)- 5- (3,5- dichloro- 4- ethoxybenzylidene)- 1- phenylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1c(Cl)cc(cc1Cl)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccccc1

STK000284
Synonyms: 2- [(2E)- 1- ethyl- 2- (4- methoxybenzylidene)hydrazinyl]- 1H- benzimidazole
Smiles: COc1ccc(cc1)/C=N/N(c1nc2c([nH]1)cccc2)CC

STK000303
Synonyms: 1- (2- chlorophenyl)- 1- [4- (2- methyl- 5- oxo- 4- propyltetrahydrofuran- 2- yl)- 1,3- thiazol- 2- yl]- 3- phenylthiourea
Smiles: CCCC1CC(OC1=O)(C)c1csc(n1)N(c1ccccc1Cl)C(=S)Nc1ccccc1

STK000317
Synonyms: 4- [(E)- {(2E)- 2- [(2- chlorophenyl)imino]- 4- oxo- 1,3- thiazolidin- 5- ylidene}methyl]phenyl4- chlorobenzoate
Smiles: Clc1ccc(cc1)C(=O)Oc1ccc(cc1)/C=C\1/S/C(=N/c2ccccc2Cl)/NC1=O

STK000335
Synonyms: 2,2- dimethylpropane- 1,3- diylbis(pyrrolidin- 1- ylacetate)
Smiles: O=C(CN1CCCC1)OCC(COC(=O)CN1CCCC1)(C)C

STK000339
Synonyms: 5- (5- bromo- 2- hydroxy- 3- methoxybenzylidene)- 1,3- dimethyl- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: COc1cc(Br)cc(c1O)C=C1C(=O)N(C)C(=S)N(C1=O)C

STK000377
Synonyms: 6- amino- 1- (4- bromophenyl)- 4- (4- fluorophenyl)- 3- methyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)F)c(C)nn2c1ccc(cc1)Br

STK000413
Synonyms: 4- (phenylcarbonyl)- 1- (propylsulfanyl)- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCCSc1nnc2n1c1sc3c(c1c(=O)n2C(=O)c1ccccc1)CCC3

STK000415
Synonyms: 2- (4- fluorophenyl)- N- (tetrahydrofuran- 2- ylmethyl)acetamide
Smiles: O=C(Cc1ccc(cc1)F)NCC1CCCO1

STK000425
Synonyms: ethyl(2E)- 2- cyano- 3- [2- methyl- 1- (2- methylbenzyl)- 1H- indol- 3- yl]prop- 2- enoate
Smiles: CCOC(=O)/C(=C/c1c(C)n(c2c1cccc2)Cc1ccccc1C)/C#N

STK000427
Synonyms: 4- chloro- N- (4- methoxybenzyl)- N- [1- (4- methoxyphenyl)- 2,5- dioxopyrrolidin- 3- yl]benzamide
Smiles: COc1ccc(cc1)CN(C1CC(=O)N(C1=O)c1ccc(cc1)OC)C(=O)c1ccc(cc1)Cl

STK000430
Synonyms: N'- [(E)- {4- [3- (2,6- dimethylphenoxy)propoxy]phenyl}methylidene]acetohydrazide
Smiles: CC(=O)N/N=C/c1ccc(cc1)OCCCOc1c(C)cccc1C

STK000458
Synonyms: 1- (6- chlorohexyl)- 3- (2- methoxyphenyl)urea
Smiles: ClCCCCCCNC(=O)Nc1ccccc1OC

STK000462
Synonyms: N,N'- bis(pyridin- 2- ylmethyl)butanediamide
Smiles: O=C(NCc1ccccn1)CCC(=O)NCc1ccccn1

STK000488
Synonyms: N'- [2- (4- propylphenyl)acetyl]biphenyl- 4- carbohydrazide
Smiles: CCCc1ccc(cc1)CC(=O)NNC(=O)c1ccc(cc1)c1ccccc1

STK000508
Synonyms: 2- (6- tert- butyl- 1,1- dimethyl- 2,3- dihydro- 1H- inden- 4- yl)- N- (1,3- thiazol- 2- yl)acetamide
Smiles: O=C(Cc1cc(cc2c1CCC2(C)C)C(C)(C)C)Nc1nccs1

STK000511
Synonyms: 1- butyl- 2,3- dihydro- 1H- pyrrolo[2,3- b]quinolin- 4- aminium
Smiles: CCCCN1CCc2c1nc1ccccc1c2[NH3+]

STK000528
Synonyms: N- phenyl- 2- [(phenylcarbonyl)amino]- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxamide
Smiles: O=C(c1ccccc1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2

STK000537
Synonyms: N- (4- methoxyphenyl)- 4- methylnaphthalene- 1- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1ccc(c2c1cccc2)C

STK000538
Synonyms: 4,4'- dihexylbiphenyl
Smiles: CCCCCCc1ccc(cc1)c1ccc(cc1)CCCCCC

STK000571
Synonyms: (5E)- 5- {[1- (4- chlorophenyl)- 1H- pyrrol- 2- yl]methylidene}- 3- phenylimidazolidine- 2,4- dione
Smiles: Clc1ccc(cc1)n1cccc1/C=C\1/NC(=O)N(C1=O)c1ccccc1

STK000604
Synonyms: 2- (2,4- dichlorophenoxy)- N- (1,3- thiazol- 2- ylcarbamothioyl)propanamide
Smiles: S=C(Nc1nccs1)NC(=O)C(Oc1ccc(cc1Cl)Cl)C

STK000612
Synonyms: N- {2,5- dimethoxy- 4- [(phenylcarbonyl)amino]phenyl}- N'- (2,3- dimethylcyclohexyl)butanediamide
Smiles: COc1cc(NC(=O)c2ccccc2)c(cc1NC(=O)CCC(=O)NC1CCCC(C1C)C)OC

STK000621
Synonyms: 1,7- dichloro- 4- methylbicyclo[2.2.2]oct- 7- ene- 2,3,5,6- tetracarboxylicacid
Smiles: OC(=O)C1C(C(=O)O)C2(Cl)C(=CC1(C)C(C2C(=O)O)C(=O)O)Cl

STK000676
Synonyms: sodium3- [{[ethoxy(methyl)phosphoryl]methyl}(methyl)amino]propanoate
Smiles: CCOP(=O)(CN(CCC(=O)O[Na])C)C

STK000702
Synonyms: 2,4- dichloro- N- [4- ({[(4- methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide
Smiles: COc1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1)NC(=O)c1ccc(cc1Cl)Cl

STK000714
Synonyms: 1- [(1E)- 3- (3,4- dihydroisoquinolin- 2(1H)- yl)- 1- (4- methylphenyl)- 3- oxoprop- 1- en- 2- yl]pyridin- 2(1H)- one
Smiles: Cc1ccc(cc1)/C=C(/n1ccccc1=O)\C(=O)N1CCc2c(C1)cccc2

STK000743
Synonyms: (3Z)- 3- {[(4- ethoxyphenyl)amino]methylidene}- 2H- chromene- 2,4(3H)- dione
Smiles: CCOc1ccc(cc1)N/C=C/1\C(=O)Oc2c(C1=O)cccc2

STK000749
Synonyms: 3- {[(E)- (4,5- dimethoxy- 2- nitrophenyl)methylidene]amino}phenol
Smiles: COc1cc(/C=N/c2cccc(c2)O)c(cc1OC)[N+](=O)[O-]

STK000775
Synonyms: [4- (cyclohex- 3- en- 1- ylmethyl)piperazin- 1- yl](furan- 2- yl)methanone
Smiles: O=C(c1ccco1)N1CCN(CC1)CC1CCC=CC1

STK000784
Synonyms: (5E)- 5- {4- [3- (4- tert- butylphenoxy)propoxy]- 3- chloro- 5- ethoxybenzylidene}- 3- phenyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1cc(/C=C\2/SC(=S)N(C2=O)c2ccccc2)cc(c1OCCCOc1ccc(cc1)C(C)(C)C)Cl

STK000798
Synonyms: 4- {(2E)- 2- [3- methyl- 1- (4- nitrophenyl)- 5- oxo- 1,5- dihydro- 4H- pyrazol- 4- ylidene]hydrazinyl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/N=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C

STK000821
Synonyms: 6- [(2E)- 2- {4- [(4- fluorobenzyl)oxy]benzylidene}hydrazinyl]- N,N- dimethyl- 2- (propan- 2- yl)pyrimidin- 4- amine
Smiles: Fc1ccc(cc1)COc1ccc(cc1)/C=N/Nc1cc(nc(n1)C(C)C)N(C)C

STK000830
Synonyms: 2,2,2- trichloro- N- (5- nitro- 1,3- thiazol- 2- yl)acetamide
Smiles: O=C(C(Cl)(Cl)Cl)Nc1ncc(s1)[N+](=O)[O-]

STK000844
Synonyms: N- (2- hydroxyethyl)- N'- (1,3- thiazol- 2- yl)ethanediamide
Smiles: OCCNC(=O)C(=O)Nc1nccs1

STK000848
Synonyms: (4Z)- 4- [2- (2- ethoxyphenyl)hydrazinylidene]- 5- methyl- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CCOc1ccccc1N/N=C\1/C(=NN(C1=O)c1scc(n1)c1cccc(c1)[N+](=O)[O-])C

STK000852
Synonyms: 2- {(E)- [(5- methyl- 1,2- oxazol- 3- yl)imino]methyl}- 6- (prop- 2- en- 1- yl)phenol
Smiles: C=CCc1cccc(c1O)/C=N/c1noc(c1)C

STK000855
Synonyms: 3- {[7- (4- chlorobenzyl)- 3- methyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]sulfanyl}propanoicacid
Smiles: OC(=O)CCSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)[nH]c(=O)n2C

STK000869
Synonyms: 4- ethoxy- 3- nitro- N- (pyridin- 2- ylcarbamothioyl)benzamide
Smiles: CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccccn1

STK000873
Synonyms: 1- (3- chlorophenyl)- 3- (5- {[(4- fluorobenzyl)sulfanyl]methyl}- 1,3,4- thiadiazol- 2- yl)urea
Smiles: O=C(Nc1nnc(s1)CSCc1ccc(cc1)F)Nc1cccc(c1)Cl

STK000891
Synonyms: 3- chloro- 4- methoxy- N- [2- methyl- 5- ([1,3]oxazolo[4,5- b]pyridin- 2- yl)phenyl]benzamide
Smiles: COc1ccc(cc1Cl)C(=O)Nc1cc(ccc1C)c1nc2c(o1)cccn2

STK000917
Synonyms: 3- (3- aminophenyl)- N- (2- methoxyphenyl)- 3- oxopropanamide
Smiles: COc1ccccc1NC(=O)CC(=O)c1cccc(c1)N

STK000923
Synonyms: N- cyclopropyl- N'- (4- methoxybenzyl)ethanediamide
Smiles: COc1ccc(cc1)CNC(=O)C(=O)NC1CC1

STK000944
Synonyms: 4- methoxy- N- [(2E)- 1,3- thiazinan- 2- ylidene]aniline
Smiles: COc1ccc(cc1)/N=C/1\NCCCS1

STK000957
Synonyms: 6- (4- chlorophenyl)- 5- (2- methylphenyl)- 1- phenyl- 1,5- dihydro- 4H- pyrazolo[3,4- d]pyrimidin- 4- one
Smiles: Clc1ccc(cc1)c1nc2n(ncc2c(=O)n1c1ccccc1C)c1ccccc1

STK001062
Synonyms: (4Z)- 2- [4- (4- butylphenyl)- 1,3- thiazol- 2- yl]- 4- [2- (3,4- dichlorophenyl)hydrazinylidene]- 5- methyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CCCCc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2ccc(c(c2)Cl)Cl)/C1=O)C

STK001066
Synonyms: 2- (4- chlorophenoxy)- N- (4- methylpyridin- 2- yl)acetamide
Smiles: O=C(Nc1nccc(c1)C)COc1ccc(cc1)Cl

STK001081
Synonyms: N- (3- oxo- 3- phenylpropyl)methionine
Smiles: CSCCC(C(=O)O)NCCC(=O)c1ccccc1

STK001083
Synonyms: N- [2- (4- methoxyphenyl)ethyl]- 4- methylaniline
Smiles: COc1ccc(cc1)CCNc1ccc(cc1)C

STK001090
Synonyms: 1- methyl- 2,3,5,6,7,8- hexahydro- 1H- pyrrolo[2,3- b]quinolin- 4- aminium2- chloro- 5- nitrobenzoate
Smiles: [O-]C(=O)c1cc(ccc1Cl)[N+](=O)[O-].CN1CCc2c1nc1CCCCc1c2[NH3+]

STK001103
Synonyms: [(1- benzyl- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 4- yl)(4- methoxyphenyl)methyl]propanedinitrile
Smiles: N#CC(C(C1C(=NN(C1=O)Cc1ccccc1)C)c1ccc(cc1)OC)C#N

STK001107
Synonyms: 1- benzyl- N- {2,5- dimethoxy- 4- [(phenylcarbonyl)amino]phenyl}- 1H- indole- 2- carboxamide
Smiles: COc1cc(NC(=O)c2ccccc2)c(cc1NC(=O)c1cc2c(n1Cc1ccccc1)cccc2)OC

STK001111
Synonyms: 2- (4- chloro- 2- methylphenoxy)- N- {[4- (naphthalen- 1- yl)- 1,3- thiazol- 2- yl]carbamothioyl}acetamide
Smiles: O=C(NC(=S)Nc1scc(n1)c1cccc2c1cccc2)COc1ccc(cc1C)Cl

STK001126
Synonyms: N- (2- ethylphenyl)- 1H- 1,2,4- triazole- 3- carboxamide
Smiles: CCc1ccccc1NC(=O)c1n[nH]cn1

STK001133
Synonyms: methyl2- {[(biphenyl- 4- ylcarbonyl)carbamothioyl]amino}- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: COC(=O)c1sc(nc1C)NC(=S)NC(=O)c1ccc(cc1)c1ccccc1

STK001150
Synonyms: 3- [(E)- {(2Z)- [amino(butylsulfanyl)methylidene]hydrazinylidene}methyl]- 2- hydroxybenzoicacid
Smiles: CCCCS/C(=N\N=C\c1cccc(c1O)C(=O)O)/N

STK001168
Synonyms: N,N'- (3,7- di- tert- butyl- 9,10- dioxo- 9,10- dihydroanthracene- 1,5- diyl)bis(4'- octylbiphenyl- 4- carboxamide)
Smiles: CCCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)Nc1cc(cc2c1C(=O)c1cc(cc(c1C2=O)NC(=O)c1ccc(cc1)c1ccc(cc1)CCCCCCCC)C(C)(C)C)C(C)(C)C

STK001170
Synonyms: N- [9,10- dioxo- 4- (1,3- thiazol- 2- ylamino)- 9,10- dihydroanthracen- 1- yl]benzamide
Smiles: O=C(c1ccccc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1nccs1

STK001177
Synonyms: 2- iodo- N'- [(E)- (2- methoxynaphthalen- 1- yl)methylidene]benzohydrazide
Smiles: COc1ccc2c(c1/C=N/NC(=O)c1ccccc1I)cccc2

STK001187
Synonyms: 2- [(1- methyl- 1H- benzimidazol- 2- yl)sulfanyl]acetohydrazide
Smiles: NNC(=O)CSc1nc2c(n1C)cccc2

STK001194
Synonyms: 2- [(5- benzyl- 4,6- dioxo- 1,4,5,6- tetrahydropyrimidin- 2- yl)sulfanyl]- N- (pyridin- 2- yl)acetamide
Smiles: O=C(Nc1ccccn1)CSC1=NC(=O)C(C(=O)N1)Cc1ccccc1

STK001224
Synonyms: (2E)- 1- (4- ethoxyphenyl)- 3- (5- methoxy- 1H- indol- 3- yl)prop- 2- en- 1- one
Smiles: CCOc1ccc(cc1)C(=O)/C=C/c1c[nH]c2c1cc(OC)cc2

STK001236
Synonyms: [6,8,9- trimethyl- 4- (pyridin- 3- yl)- 3- oxabicyclo[3.3.1]non- 6- en- 1- yl]methanol
Smiles: OCC12COC(C(C2C)C(=CC1C)C)c1cccnc1

STK001238
Synonyms: 2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- N- [2- (dimethylamino)ethyl]- 3- (3- nitrophenyl)- 3- oxopropanamide
Smiles: CN(CCNC(=O)C(n1cc(Cl)ccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])C

STK001244
Synonyms: 5- bromo- 2- chloro- N- [(6- methyl- 1,3- benzothiazol- 2- yl)carbamothioyl]benzamide
Smiles: S=C(NC(=O)c1cc(Br)ccc1Cl)Nc1nc2c(s1)cc(cc2)C

STK001245
Synonyms: 2- [(1- butyl- 1H- benzimidazol- 2- yl)sulfanyl]- 1- (4- chlorophenyl)ethanone
Smiles: CCCCn1c(SCC(=O)c2ccc(cc2)Cl)nc2c1cccc2

STK001262
Synonyms: (2E)- 3- (3- chloro- 5- ethoxy- 4- {2- [2- (prop- 2- en- 1- yl)phenoxy]ethoxy}phenyl)- 2- cyanoprop- 2- enamide
Smiles: CCOc1cc(/C=C(/C(=O)N)\C#N)cc(c1OCCOc1ccccc1CC=C)Cl

STK001264
Synonyms: 3- [5- (4- propylcyclohexyl)- 1,2,4- oxadiazol- 3- yl]pyridine
Smiles: CCCC1CCC(CC1)c1onc(n1)c1cccnc1

STK001281
Synonyms: (2E)- N- benzyl- 2- cyano- 3- {4- [2- (3,4- dimethylphenoxy)ethoxy]- 3- ethoxyphenyl}prop- 2- enamide
Smiles: CCOc1cc(ccc1OCCOc1ccc(c(c1)C)C)/C=C(/C(=O)NCc1ccccc1)\C#N

STK001290
Synonyms: 7,7- dimethyl- 3- [(2- oxo- 2- phenylethyl)sulfanyl]- 1,6,7,9- tetrahydro- 5H- pyrano[4',3':4,5]thieno[2,3- d][1,2,4]triazolo[4,3- a]pyrimidin- 5- one
Smiles: O=C(c1ccccc1)CSc1n[nH]c2n1c(=O)c1c(n2)sc2c1CC(C)(C)OC2

STK001298
Synonyms: (4- bromo- 2- {(Z)- [4- oxo- 3- (pyridin- 3- ylmethyl)- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}phenoxy)aceticacid
Smiles: OC(=O)COc1ccc(cc1/C=C/1\SC(=S)N(C1=O)Cc1cccnc1)Br

STK001307
Synonyms: 1- methyl- 4- (4H- 1,2,4- triazol- 3- ylsulfanyl)phthalazine
Smiles: Cc1nnc(c2c1cccc2)Sc1nnc[nH]1

STK001330
Synonyms: (1Z)- 2- {4- [(6- methylheptyl)oxy]phenyl}- N'- (4H- 1,2,4- triazol- 4- yl)ethanimidamide
Smiles: CC(CCCCCOc1ccc(cc1)C/C(=N/n1cnnc1)/N)C

STK001352
Synonyms: naphthalen- 2- yl4- tert- butylbenzoate
Smiles: O=C(c1ccc(cc1)C(C)(C)C)Oc1ccc2c(c1)cccc2

STK001359
Synonyms: N- [3- (1,3- benzothiazol- 2- yl)phenyl]- 2- (2,4- dimethylphenoxy)acetamide
Smiles: O=C(Nc1cccc(c1)c1nc2c(s1)cccc2)COc1ccc(cc1C)C

STK001360
Synonyms: (4Z)- 2- (1,3- benzothiazol- 2- yl)- 5- {[(4- chlorophenyl)sulfanyl]methyl}- 4- (2- methoxybenzylidene)- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: COc1ccccc1/C=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl

STK001368
Synonyms: benzylN~2~- (tert- butoxycarbonyl)- N- [(9H- fluoren- 9- ylmethoxy)carbonyl]- alpha- glutaminate
Smiles: O=C(CCC(C(=O)NC(=O)OCC1c2ccccc2c2c1cccc2)NC(=O)OC(C)(C)C)OCc1ccccc1

STK001421
Synonyms: 1- (4- chlorophenyl)- 1- hydroxy- 3- phenylurea
Smiles: Clc1ccc(cc1)N(C(=O)Nc1ccccc1)O

STK001422
Synonyms: N,N'- [cyclohexane- 1,1- diylbis(2,6- dimethylbenzene- 4,1- diyl)]bis[2- (morpholin- 4- yl)acetamide]
Smiles: O=C(Nc1c(C)cc(cc1C)C1(CCCCC1)c1cc(C)c(c(c1)C)NC(=O)CN1CCOCC1)CN1CCOCC1

STK001431
Synonyms: N- (3- bromobenzyl)- N'- [2- (diethylamino)ethyl]butanediamide
Smiles: CCN(CCNC(=O)CCC(=O)NCc1cccc(c1)Br)CC

STK001432
Synonyms: (2- oxo- 3- phenylcyclohexyl)aceticacid
Smiles: OC(=O)CC1CCCC(C1=O)c1ccccc1

STK001471
Synonyms: 4- ({2- [2- (4- bromophenyl)- 2- oxoethyl]- 1,1- dioxido- 3- (phenylcarbonyl)- 2H- 1,2- benzothiazin- 4- yl}amino)- 1,5- dimethyl- 2- phenyl- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: Brc1ccc(cc1)C(=O)CN1C(=C(Nc2c(C)n(n(c2=O)c2ccccc2)C)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

STK001473
Synonyms: 6- chloro- N,N- diphenyl- N'- (5- {[2,3,5,6- tetrafluoro- 4- (trifluoromethyl)phenyl]amino}pentyl)- 1,3,5- triazine- 2,4- diamine
Smiles: Clc1nc(NCCCCCNc2c(F)c(F)c(c(c2F)F)C(F)(F)F)nc(n1)N(c1ccccc1)c1ccccc1

STK001480
Synonyms: 5- ({1- [2- (2,5- dimethylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}methylidene)- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Cc1ccc(c(c1)OCCn1c2ccccc2c(c1C)C=C1C(=O)N(C)C(=O)N(C1=O)C)C

STK001483
Synonyms: (6Z)- 6- [3- chloro- 5- ethoxy- 4- (2- phenoxyethoxy)benzylidene]- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1ccccc1)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK001487
Synonyms: 4- {(E)- [(2,4- dichlorophenyl)imino]methyl}benzene- 1,3- diol
Smiles: Oc1ccc(c(c1)O)/C=N/c1ccc(cc1Cl)Cl

STK001493
Synonyms: phenyl(2E)- 7- methyl- 2- {[1- (naphthalen- 1- ylmethyl)- 1H- indol- 3- yl]methylidene}- 3- oxo- 5- phenyl- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: O=C(C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1cn(c3c1cccc3)Cc1cccc3c1cccc3)/s2)Oc1ccccc1

STK001522
Synonyms: 4,4'- sulfonylbis(2- {[(E)- (2- methyl- 1H- indol- 3- yl)methylidene]amino}phenol)
Smiles: Oc1ccc(cc1/N=C/c1c(C)[nH]c2c1cccc2)S(=O)(=O)c1ccc(c(c1)/N=C/c1c(C)[nH]c2c1cccc2)O

STK001524
Synonyms: N- [(5- methylfuran- 2- yl)methyl]- N'- (pyridin- 3- yl)butanediamide
Smiles: O=C(NCc1ccc(o1)C)CCC(=O)Nc1cccnc1

STK001527
Synonyms: N,N- dimethylpiperidine- 4- carboxamide
Smiles: CN(C(=O)C1CCNCC1)C

STK001551
Synonyms: 4- (cyclohexylamino)- 3- (4- methylbenzyl)- 4- oxobutanoicacid
Smiles: OC(=O)CC(C(=O)NC1CCCCC1)Cc1ccc(cc1)C

STK001572
Synonyms: 1- (1,3- benzodioxol- 5- ylmethyl)- N- (1- methoxypropan- 2- yl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1ccc2c(c1)OCO2)C

STK001573
Synonyms: N'- [1- (2- chlorophenyl)- 2,5- dioxopyrrolidin- 3- yl]- 3- fluorobenzohydrazide
Smiles: Fc1cccc(c1)C(=O)NNC1CC(=O)N(C1=O)c1ccccc1Cl

STK001581
Synonyms: 2- [(3,5- dimethylphenyl)carbonyl]benzoicacid
Smiles: Cc1cc(C)cc(c1)C(=O)c1ccccc1C(=O)O

STK001587
Synonyms: 4- chloro- N- (2- iodophenyl)- 2- nitrobenzamide
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])C(=O)Nc1ccccc1I

STK001605
Synonyms: 3- {[(E)- (3- methylphenyl)methylidene]amino}benzamide
Smiles: Cc1cccc(c1)/C=N/c1cccc(c1)C(=O)N

STK001608
Synonyms: N'- [(E)- (2- chlorophenyl)methylidene]- 2- [(4- methylphenyl)amino]acetohydrazide(non- preferredname)
Smiles: O=C(CNc1ccc(cc1)C)N/N=C/c1ccccc1Cl

STK001609
Synonyms: 4- methylphenyl4- [(2- carbamoylphenyl)amino]- 4- oxobutanoate
Smiles: O=C(Nc1ccccc1C(=O)N)CCC(=O)Oc1ccc(cc1)C

STK001616
Synonyms: (4Z)- 1- (4- bromophenyl)- 4- {[1- (4- nitrophenyl)- 1H- pyrrol- 2- yl]methylidene}pyrazolidine- 3,5- dione
Smiles: Brc1ccc(cc1)N1NC(=O)/C(=C/c2cccn2c2ccc(cc2)[N+](=O)[O-])/C1=O

STK001625
Synonyms: N- [(3,5- dimethylphenyl)carbamothioyl]- 2- phenoxyacetamide
Smiles: O=C(NC(=S)Nc1cc(C)cc(c1)C)COc1ccccc1

STK001633
Synonyms: 3- bromo- N- {4- [(4- fluorophenyl)sulfamoyl]phenyl}- 4- methylbenzamide
Smiles: Fc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(c(c1)Br)C

STK001640
Synonyms: 5- [2- (2- methyl- 6- nitrophenyl)hydrazinylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)C(=NNc2c(C)cccc2[N+](=O)[O-])C(=O)N1

STK001658
Synonyms: N- (2- chlorobenzyl)- 1- (pyridin- 3- ylmethyl)piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)Cc1cccnc1)NCc1ccccc1Cl

STK001670
Synonyms: 3- [(5- benzyl- 4- hydroxy- 6- methylpyrimidin- 2- yl)sulfanyl]- 6- chloro- 4- phenylquinolin- 2(1H)- one
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)Sc1nc(C)c(c(n1)O)Cc1ccccc1

STK001698
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- methyl- 3- nitrobenzamide
Smiles: O=C(c1cccc(c1C)[N+](=O)[O-])Nc1cccc(c1C)Cl

STK001712
Synonyms: 6- (methoxymethyl)- 2- [(4- methylquinazolin- 2- yl)amino]- 1,4- dihydropyrimidin- 4- ol
Smiles: COCC1=CC(N=C(N1)Nc1nc(C)c2c(n1)cccc2)O

STK001713
Synonyms: 2- [4- (morpholin- 4- yl)- 1,1- dioxido- 3- (phenylcarbonyl)- 2H- 1,2- benzothiazin- 2- yl]acetamide
Smiles: NC(=O)CN1C(=C(N2CCOCC2)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

STK001717
Synonyms: 3- chloro- 4- ethoxy- N- [2- (4- fluorophenyl)- 1,3- benzoxazol- 5- yl]benzamide
Smiles: CCOc1ccc(cc1Cl)C(=O)Nc1ccc2c(c1)nc(o2)c1ccc(cc1)F

STK001723
Synonyms: 6- phenyl- 8- sulfanyl- 5H,6H- [1,3,4]thiadiazolo[2',3':2,3]pyrimido[4,5- d][1,3]thiazin- 5- one
Smiles: SC1=Nc2c(C(S1)c1ccccc1)c(=O)nc1n2ncs1

STK001731
Synonyms: 4- {[(1,1',3,3'- tetraoxo- 1,1',3,3'- tetrahydro- 2,2'- biisoindol- 5- yl)carbonyl]amino}benzoicacid
Smiles: O=C(c1ccc2c(c1)C(=O)N(C2=O)N1C(=O)c2c(C1=O)cccc2)Nc1ccc(cc1)C(=O)O

STK001768
Synonyms: 4- fluoro- N- (2,4,5- trichlorophenyl)benzenesulfonamide
Smiles: Fc1ccc(cc1)S(=O)(=O)Nc1cc(Cl)c(cc1Cl)Cl

STK001785
Synonyms: methyl4- ({[3- (4- chlorobenzyl)- 1- methyl- 5- oxo- 2- thioxoimidazolidin- 4- yl]acetyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CC1C(=O)N(C(=S)N1Cc1ccc(cc1)Cl)C

STK001802
Synonyms: 2- phenoxy- N- {[3- (trifluoromethyl)phenyl]carbamothioyl}acetamide
Smiles: O=C(NC(=S)Nc1cccc(c1)C(F)(F)F)COc1ccccc1

STK001834
Synonyms: methyl(2Z)- 7- methyl- 3- oxo- 5- [2- (propan- 2- yloxy)phenyl]- 2- (pyridin- 4- ylmethylidene)- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: COC(=O)C1=C(C)N=c2n(C1c1ccccc1OC(C)C)c(=O)/c(=C/c1ccncc1)/s2

STK001857
Synonyms: 6,8- dibromo- 2- oxo- 2H- chromene- 3- carboxylicacid
Smiles: Brc1cc(Br)c2c(c1)cc(c(=O)o2)C(=O)O

STK001859
Synonyms: 1- (azepan- 1- yl)- 3- (4- fluorophenyl)- 2- (2- oxopyridin- 1(2H)- yl)propane- 1,3- dione
Smiles: Fc1ccc(cc1)C(=O)C(n1ccccc1=O)C(=O)N1CCCCCC1

STK001867
Synonyms: N- (1- hydroxy- 2- methylpropan- 2- yl)- 1- (3- phenylpropyl)piperidine- 4- carboxamide
Smiles: OCC(NC(=O)C1CCN(CC1)CCCc1ccccc1)(C)C

STK001872
Synonyms: 2- (2- {4- [(2,4- dimethoxyphenyl)amino]- 6,8- dimethoxy- 2- methyl- 3,4- dihydroquinolin- 1(2H)- yl}- 2- oxoethyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: COc1cc(OC)cc2c1N(C(C)CC2Nc1ccc(cc1OC)OC)C(=O)CN1C(=O)c2c(C1=O)cccc2

STK001918
Synonyms: chloro(1H- indol- 2- yl)mercury
Smiles: Cl[Hg]c1cc2c([nH]1)cccc2

STK001923
Synonyms: methyl({2- [2- (4- chlorophenyl)ethyl]- 3- oxo- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- yl}amino)(2,4- dimethylphenyl)acetate
Smiles: COC(=O)C(c1ccc(cc1C)C)NC1N(CCc2ccc(cc2)Cl)C(=O)C2=C1CCCC2

STK001931
Synonyms: 2- [5- (5- fluoro- 2,4- dioxo- 3,4- dihydropyrimidin- 1(2H)- yl)- 3,4- dihydroxytetrahydrofuran- 2- yl]- 2- hydroxy- N- propylacetamide(non- preferredname)
Smiles: CCCNC(=O)C(C1OC(C(C1O)O)n1cc(F)c(=O)[nH]c1=O)O

STK001937
Synonyms: N- (pyrimidin- 2- yl)benzenesulfonamide
Smiles: O=S(=O)(c1ccccc1)Nc1ncccn1

STK001938
Synonyms: N- (2- methyl- 1- propanoyl- 1,2,3,4- tetrahydroquinolin- 4- yl)- N- phenylbenzamide
Smiles: CCC(=O)N1C(C)CC(c2c1cccc2)N(C(=O)c1ccccc1)c1ccccc1

STK001944
Synonyms: N~3~- benzyl- N- (2- chlorophenyl)- N~3~- ethyl- beta- alaninamide
Smiles: CCN(Cc1ccccc1)CCC(=O)Nc1ccccc1Cl

STK001946
Synonyms: N- {[6- chloro- 2- (4- methylphenyl)- 2H- benzotriazol- 5- yl]carbamothioyl}- 1- benzofuran- 2- carboxamide
Smiles: Cc1ccc(cc1)n1nc2c(n1)cc(c(c2)Cl)NC(=S)NC(=O)c1cc2c(o1)cccc2

STK001967
Synonyms: N- (5- {[2- (2,3- dihydro- 1H- indol- 1- yl)- 2- oxoethyl]sulfanyl}- 1,3,4- thiadiazol- 2- yl)acetamide
Smiles: CC(=O)Nc1nnc(s1)SCC(=O)N1CCc2c1cccc2

STK001969
Synonyms: 1- (2- chloro- 6- fluorobenzyl)- 4- methylpiperidine
Smiles: CC1CCN(CC1)Cc1c(F)cccc1Cl

STK001975
Synonyms: (6Z)- 6- (3- bromo- 2- hydroxy- 5- nitrobenzylidene)- 5- imino- 2- phenyl- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(cc(c1O)Br)[N+](=O)[O-])c1ccccc1

STK001983
Synonyms: 2'- fluorobiphenyl- 3- carboxylicacid
Smiles: Fc1ccccc1c1cccc(c1)C(=O)O

STK001994
Synonyms: 17- (2- methylphenyl)- 16,18- dioxo- 17- azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca- 2,4,6,9,11,13- hexaene- 1- carboxylicacid(non- preferredname)
Smiles: Cc1ccccc1N1C(=O)C2C(C1=O)C1(C(=O)O)c3c(C2c2c1cccc2)cccc3

STK002009
Synonyms: 4- [(2- chlorophenoxy)methyl]- N- (pyridin- 4- yl)benzamide
Smiles: O=C(c1ccc(cc1)COc1ccccc1Cl)Nc1ccncc1

STK002047
Synonyms: phenyl(2E)- 2- {3- chloro- 4- [2- (3,4- dimethylphenoxy)ethoxy]- 5- methoxybenzylidene}- 7- methyl- 3- oxo- 5- phenyl- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: COc1cc(cc(c1OCCOc1ccc(c(c1)C)C)Cl)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)Oc1ccccc1)C

STK002048
Synonyms: 1- azabicyclo[2.2.2]oct- 3- yl3,4,5- trimethoxybenzoate
Smiles: COc1cc(cc(c1OC)OC)C(=O)OC1CN2CCC1CC2

STK002054
Synonyms: (13bR)- 13b- methyl- 4- propyl- 1,3,4,6,7,8,13,13b- octahydro- 2H- pyrido[1',2':1,2]azepino[3,4- b]indole
Smiles: CCCC1CCC[C@]2(N1CCCc1c2[nH]c2c1cccc2)C

STK002069
Synonyms: 3- [5- (4- cyanophenyl)- 1,2,4- oxadiazol- 3- yl]benzoicacid
Smiles: N#Cc1ccc(cc1)c1onc(n1)c1cccc(c1)C(=O)O

STK002099
Synonyms: quinolin- 8- yldiphenylacetate
Smiles: O=C(C(c1ccccc1)c1ccccc1)Oc1cccc2c1nccc2

STK002101
Synonyms: (4E)- 4- {5- bromo- 2- [2- (2,4- dimethylphenoxy)ethoxy]benzylidene}- 5- methyl- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Brc1ccc(c(c1)/C=C/1\C(=NN(C1=O)c1ccccc1)C)OCCOc1ccc(cc1C)C

STK002108
Synonyms: N- {[4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]carbamothioyl}pentanamide
Smiles: CCCCC(=O)NC(=S)Nc1scc(n1)c1ccc2c(c1)cccc2

STK002180
Synonyms: 3- (4- ethylphenyl)- 5- (3- fluorophenyl)- 3a,6a- dihydrospiro[furo[3,4- c]pyrrole- 1,2'- indene]- 1',3',4,6(3H,5H)- tetrone
Smiles: CCc1ccc(cc1)C1OC2(C3C1C(=O)N(C3=O)c1cccc(c1)F)C(=O)c1c(C2=O)cccc1

STK002210
Synonyms: 2- (4- bromophenyl)- N- (2,5- dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)Cc1ccc(cc1)Br

STK002218
Synonyms: 1- (4- ethylbenzyl)- 4- methylpiperidine
Smiles: CCc1ccc(cc1)CN1CCC(CC1)C

STK002227
Synonyms: N- (6- ethyl- 7- methyl- 5- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 2- yl)- N- methylacetamide
Smiles: CCc1c(C)nc2n(c1=O)nc(s2)N(C(=O)C)C

STK002242
Synonyms: diethyl{2- [(2E)- 2- {3- [(2,4- dichlorophenoxy)methyl]- 4- methoxybenzylidene}hydrazinyl]- 2- oxoethyl}phosphonate
Smiles: CCOP(=O)(CC(=O)N/N=C/c1ccc(c(c1)COc1ccc(cc1Cl)Cl)OC)OCC

STK002247
Synonyms: 2- cyclohexyl- 2- phenylpropanoicacid
Smiles: OC(=O)C(c1ccccc1)(C1CCCCC1)C

STK002260
Synonyms: 4- methoxy- N'- [(1E)- 1- (2- oxo- 2H- chromen- 3- yl)ethylidene]benzohydrazide
Smiles: COc1ccc(cc1)C(=O)N/N=C(/c1cc2ccccc2oc1=O)\C

STK002278
Synonyms: 3- (7- methyl- 2,3- diphenyl- 1H- indol- 1- yl)propanoicacid
Smiles: OC(=O)CCn1c2c(C)cccc2c(c1c1ccccc1)c1ccccc1

STK002309
Synonyms: N- benzyl- N- ethyl- 1- (3- phenylpropyl)piperidine- 4- carboxamide
Smiles: CCN(C(=O)C1CCN(CC1)CCCc1ccccc1)Cc1ccccc1

STK002341
Synonyms: N'- [(E)- {4- [3- (4- methoxyphenoxy)propoxy]phenyl}methylidene]acetohydrazide
Smiles: COc1ccc(cc1)OCCCOc1ccc(cc1)/C=N/NC(=O)C

STK002346
Synonyms: 4- hydroxy- 4- (1H- indol- 3- yl)butanoicacid
Smiles: OC(=O)CCC(c1c[nH]c2c1cccc2)O

STK002348
Synonyms: (4E)- 4- (3,5- dichloro- 4- hydroxybenzylidene)- 1- phenylpyrazolidine- 3,5- dione
Smiles: O=C1NN(C(=O)/C/1=C/c1cc(Cl)c(c(c1)Cl)O)c1ccccc1

STK002369
Synonyms: 1- amino- N- (5- chloro- 2- methoxyphenyl)- 5- phenyl- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: COc1ccc(cc1NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)c1ccccc1)Cl

STK002372
Synonyms: N- [2- (3,4- dihydroisoquinolin- 2(1H)- yl)- 2- oxoethyl]- N,4- dimethylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCc2c(C1)cccc2)C

STK002383
Synonyms: N- (2,6- dimethylphenyl)- 2- (2- oxoazetidin- 1- yl)- 2- (3- phenoxyphenyl)acetamide
Smiles: O=C1CCN1C(C(=O)Nc1c(C)cccc1C)c1cccc(c1)Oc1ccccc1

STK002396
Synonyms: 1- (4- ethylbenzyl)pyrrolidine
Smiles: CCc1ccc(cc1)CN1CCCC1

STK002425
Synonyms: 2- [(2E)- 2- (4- methoxybenzylidene)hydrazinyl]- 4- methyl- 6- phenylpyrimidine
Smiles: COc1ccc(cc1)/C=N/Nc1nc(C)cc(n1)c1ccccc1

STK002435
Synonyms: N'- (2- cyclohexyl- 3- oxo- 2,3- dihydro- 1H- isoindol- 1- yl)benzohydrazide
Smiles: O=C(c1ccccc1)NNC1N(C2CCCCC2)C(=O)c2c1cccc2

STK002436
Synonyms: (6Z)- 6- {3- chloro- 4- [(4- chlorobenzyl)oxy]- 5- ethoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCc1ccc(cc1)Cl)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK002439
Synonyms: (6Z)- 6- (3- ethoxy- 4- {2- [4- (2- phenylpropan- 2- yl)phenoxy]ethoxy}benzylidene)- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCCOc1ccc(cc1)C(c1ccccc1)(C)C)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK002464
Synonyms: 3- (2,5- dimethoxyphenyl)- N- (2,4- dimethylphenyl)- 2- (1H- tetrazol- 5- yl)propanamide
Smiles: COc1ccc(cc1CC(C(=O)Nc1ccc(cc1C)C)c1nnn[nH]1)OC

STK002470
Synonyms: 1- (4- hydroxy- 3- methoxybenzyl)piperidine- 4- carboxylicacid
Smiles: COc1cc(ccc1O)CN1CCC(CC1)C(=O)O

STK002474
Synonyms: 5- ({[4- (6- methyl- 1,3- benzothiazol- 2- yl)phenyl]amino}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)C(=CNc2ccc(cc2)c2nc3c(s2)cc(cc3)C)C(=O)N1

STK002476
Synonyms: (6Z)- 6- {3- bromo- 4- [3- (4- chlorophenoxy)propoxy]- 5- ethoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCCOc1ccc(cc1)Cl)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK002497
Synonyms: 1- (phenylcarbonyl)- 2,3- dihydrobenzo[g]quinolin- 4(1H)- one
Smiles: O=C(N1CCC(=O)c2c1cc1ccccc1c2)c1ccccc1

STK002500
Synonyms: 2- [benzyl(3,4,5- trimethoxybenzyl)amino]ethanol
Smiles: OCCN(Cc1ccccc1)Cc1cc(OC)c(c(c1)OC)OC

STK002513
Synonyms: 2- [3- (acetylamino)phenoxy]- N- (2- chlorophenyl)acetamide
Smiles: O=C(Nc1ccccc1Cl)COc1cccc(c1)NC(=O)C

STK002526
Synonyms: 2- (heptan- 3- yl)- 4- methyl- 1,3- dioxolane
Smiles: CCCCC(C1OCC(O1)C)CC

STK002528
Synonyms: N- (4- butoxybenzyl)- 3- [(6,6- dimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]propanamide
Smiles: CCCCOc1ccc(cc1)CNC(=O)CCSc1nc2sc3c(c2c(=O)[nH]1)CC(OC3)(C)C

STK002536
Synonyms: N'- [(1E)- 1- (4- hydroxy- 3- methoxyphenyl)ethylidene]- 4- methoxybenzohydrazide
Smiles: COc1ccc(cc1)C(=O)N/N=C(/c1ccc(c(c1)OC)O)\C

STK002543
Synonyms: 4- bromo- 3- chloro- N- [(E)- 1H- indol- 3- ylmethylidene]aniline
Smiles: Brc1ccc(cc1Cl)/N=C/c1c[nH]c2c1cccc2

STK002544
Synonyms: 2- [2- (4- chlorophenyl)ethyl]- 3- {[2- (3,4- dimethoxyphenyl)ethyl]amino}- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- one
Smiles: COc1cc(CCNC2N(CCc3ccc(cc3)Cl)C(=O)C3=C2CCCC3)ccc1OC

STK002576
Synonyms: (6Z)- 2- benzyl- 6- {[1- (4- ethylphenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)Cc1ccccc1

STK002578
Synonyms: 7- (4- chlorobenzyl)- 8- (diethylamino)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN(c1nc2c(n1Cc1ccc(cc1)Cl)c(=O)[nH]c(=O)n2C)CC

STK002589
Synonyms: methyl(1S,2R,3R,8aS)- 6- acetyl- 3- carbamoyl- 1- cyano- 2- (4- fluorophenyl)- 1,2,3,8a- tetrahydroindolizine- 1- carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccc(cc1)F)C(=O)N)C(=O)C

STK002601
Synonyms: 1- (4- methoxyphenyl)- 3- [5- (1- phenoxyethyl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: COc1ccc(cc1)NC(=O)Nc1nnc(s1)C(Oc1ccccc1)C

STK002625
Synonyms: (4- bromo- 1H- pyrazol- 1- yl)(4- tert- butylphenyl)methanone
Smiles: O=C(n1ncc(c1)Br)c1ccc(cc1)C(C)(C)C

STK002634
Synonyms: (4Z)- 4- [2- (2,4- dimethylphenyl)hydrazinylidene]- 5- methyl- 2- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Cc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2ccc(cc2C)C)/C1=O)C

STK002641
Synonyms: 3- methyl- 8- [(3- methylbutoxy)methyl]- 3- [2- (phenylamino)- 1,3- thiazol- 4- yl]- 2,7- dioxaspiro[4.4]nonane- 1,6- dione
Smiles: CC(CCOCC1OC(=O)C2(C1)CC(OC2=O)(C)c1csc(n1)Nc1ccccc1)C

STK002676
Synonyms: potassium4- [(E)- morpholin- 4- yldiazenyl]benzoate
Smiles: [O-]C(=O)c1ccc(cc1)/N=N/N1CCOCC1.[K+]

STK002677
Synonyms: (5Z)- 3- benzyl- 5- {2- [3- (2- chlorophenoxy)propoxy]- 3- methoxybenzylidene}- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cccc(c1OCCCOc1ccccc1Cl)/C=C/1\SC(=S)N(C1=O)Cc1ccccc1

STK002678
Synonyms: 7- (2- chloro- 6- fluorobenzyl)- 8- [(3- hydroxypropyl)amino]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCCNc1nc2c(n1Cc1c(F)cccc1Cl)c(=O)n(c(=O)n2C)C

STK002706
Synonyms: N~5~- [(E)- phenylmethylidene]pyrimidine- 2,4,5,6- tetramine
Smiles: Nc1nc(N)c(c(n1)N)/N=C/c1ccccc1

STK002734
Synonyms: N,N- diethyl- 1- [(6- phenylimidazo[2,1- b][1,3]thiazol- 5- yl)methyl]piperidine- 4- carboxamide
Smiles: CCN(C(=O)C1CCN(CC1)Cc1c(nc2n1ccs2)c1ccccc1)CC

STK002743
Synonyms: 4- iodo- N- (prop- 2- en- 1- yl)benzamide
Smiles: C=CCNC(=O)c1ccc(cc1)I

STK002765
Synonyms: (2,6- dimethylquinolin- 1(2H)- yl)(4- fluorophenyl)methanone
Smiles: Fc1ccc(cc1)C(=O)N1C(C)C=Cc2c1ccc(c2)C

STK002770
Synonyms: N- acetylcysteine- 4,5- dihydro- 1,3- thiazol- 2- amine(1:1)
Smiles: NC1=NCCS1.SCC(C(=O)O)NC(=O)C

STK002813
Synonyms: 4- [5- (4- pentylphenyl)pyridin- 2- yl]benzoicacid
Smiles: CCCCCc1ccc(cc1)c1ccc(nc1)c1ccc(cc1)C(=O)O

STK002816
Synonyms: N- (3- nitrophenyl)- N'- (1- phenylethyl)butanediamide
Smiles: O=C(Nc1cccc(c1)[N+](=O)[O-])CCC(=O)NC(c1ccccc1)C

STK002835
Synonyms: N- [4- (benzyloxy)phenyl]- N'- [3- (propan- 2- yloxy)propyl]butanediamide
Smiles: O=C(Nc1ccc(cc1)OCc1ccccc1)CCC(=O)NCCCOC(C)C

STK002879
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- 1- [3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropanoyl]piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)NCCC1=CCCCC1

STK002889
Synonyms: N- (2- amino- 2- oxoethyl)- N'- [4- (2- phenylethoxy)phenyl]butanediamide
Smiles: O=C(Nc1ccc(cc1)OCCc1ccccc1)CCC(=O)NCC(=O)N

STK002901
Synonyms: (5E)- 5- [4- (dimethylamino)benzylidene]- 1- (3- methoxyphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1cccc(c1)N1C(=O)NC(=O)/C(=C\c2ccc(cc2)N(C)C)/C1=O

STK002943
Synonyms: potassium4- [(1E)- 3,3- dimethyltriaz- 1- en- 1- yl]benzenesulfonate
Smiles: CN(/N=N/c1ccc(cc1)S(=O)(=O)[O-])C.[K+]

STK002968
Synonyms: (4- ethylpiperazin- 1- yl)[1- (2- hydroxybenzyl)piperidin- 4- yl]methanone
Smiles: CCN1CCN(CC1)C(=O)C1CCN(CC1)Cc1ccccc1O

STK003016
Synonyms: 4- methyl- 3- nitro- N- (2- nitrophenyl)benzenesulfonamide
Smiles: [O-][N+](=O)c1cc(ccc1C)S(=O)(=O)Nc1ccccc1[N+](=O)[O-]

STK003044
Synonyms: 2- amino- 6- tert- butyl- 4- (4- methoxyphenyl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(N)nc(cc1c1ccc(cc1)OC)C(C)(C)C

STK003061
Synonyms: N- {[5- (butan- 2- yl)- 2- hydroxyphenyl]carbamothioyl}- 3,4- dichlorobenzamide
Smiles: CCC(c1ccc(c(c1)NC(=S)NC(=O)c1ccc(c(c1)Cl)Cl)O)C

STK003094
Synonyms: N- [3- (morpholin- 4- ylcarbonyl)- 4- phenylthiophen- 2- yl]- 2- phenylacetamide
Smiles: O=C(Nc1scc(c1C(=O)N1CCOCC1)c1ccccc1)Cc1ccccc1

STK003102
Synonyms: (2E)- 4- [(2,6- dimethoxyphenyl)amino]- 4- oxobut- 2- enoicacid
Smiles: COc1cccc(c1NC(=O)/C=C/C(=O)O)OC

STK003108
Synonyms: ethyl2- {[(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)acetyl]amino}- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSC2=NCCS2)sc2c1CCC2

STK003143
Synonyms: (3,5- diphenyl- 1H- pyrazol- 1- yl)(2- hydroxyphenyl)methanone
Smiles: Oc1ccccc1C(=O)n1nc(cc1c1ccccc1)c1ccccc1

STK003150
Synonyms: (6Z)- 6- benzylidene- 5- imino- 2- methyl- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1nn2c(=NC(=O)/C(=C\c3ccccc3)/C2=N)s1

STK003165
Synonyms: 3- bromo- N'- (3,5- di- tert- butyl- 4- oxocyclohexa- 2,5- dien- 1- ylidene)benzohydrazide
Smiles: Brc1cccc(c1)C(=O)N/N=C/1\C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C

STK003168
Synonyms: N'- [(1E)- 1- cyclopropylethylidene]benzohydrazide
Smiles: O=C(c1ccccc1)N/N=C(/C1CC1)\C

STK003171
Synonyms: 3- (2- chlorophenyl)- 1- hydroxy- 1- propan- 2- ylurea
Smiles: CC(N(C(=O)Nc1ccccc1Cl)O)C

STK003209
Synonyms: N- (4- chlorophenyl)- 5- (pyridin- 4- yl)- 2- thioxo- 1,3,4- oxadiazole- 3(2H)- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)n1nc(oc1=S)c1ccncc1

STK003217
Synonyms: methyl5- hydroxy- 5- (4- methylphenyl)- 1- (phenylcarbonyl)- 4,5- dihydro- 1H- pyrazole- 3- carboxylate
Smiles: COC(=O)C1=NN(C(C1)(O)c1ccc(cc1)C)C(=O)c1ccccc1

STK003219
Synonyms: (4Z)- 2- (1,3- benzothiazol- 2- yl)- 5- {[(4- chlorophenyl)sulfanyl]methyl}- 4- (3- phenoxybenzylidene)- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\c1cccc(c1)Oc1ccccc1)c1nc2c(s1)cccc2

STK003228
Synonyms: N'- {(2Z)- 6- chloro- 3- [4- (3,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 2H- chromen- 2- ylidene}- 4- methylbenzohydrazide
Smiles: Cc1ccc(cc1)C(=O)N/N=c/1\oc2ccc(cc2cc1c1scc(n1)c1ccc(c(c1)Cl)Cl)Cl

STK003257
Synonyms: 2- [(2E)- 2- (3,5- dibromo- 4- hydroxybenzylidene)hydrazinyl]pyridine- 3- carboxylicacid
Smiles: OC(=O)c1cccnc1N/N=C/c1cc(Br)c(c(c1)Br)O

STK003268
Synonyms: N- (2,6- dimethoxypyrimidin- 4- yl)- 4- (2,5- dioxo- 2,5- dihydro- 1H- pyrrol- 1- yl)benzenesulfonamide
Smiles: COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)N1C(=O)C=CC1=O

STK003275
Synonyms: [(4- cyano- 1- methyl- 5,6,7,8- tetrahydroisoquinolin- 3- yl)sulfanyl]aceticacid
Smiles: N#Cc1c(SCC(=O)O)nc(c2c1CCCC2)C

STK003276
Synonyms: N- (2,4- dimethoxyphenyl)- 6,8- dimethoxy- 2- methyl- 1,2,3,4- tetrahydroquinolin- 4- amine
Smiles: COc1ccc(c(c1)OC)NC1CC(C)Nc2c1cc(OC)cc2OC

STK003279
Synonyms: (4- phenylpiperazin- 1- yl)(piperidin- 4- yl)methanone
Smiles: O=C(C1CCNCC1)N1CCN(CC1)c1ccccc1

STK003292
Synonyms: (2E)- N- benzyl- 3- {1- [2- (2- chlorophenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}- 2- cyanoprop- 2- enamide
Smiles: N#C/C(=C\c1c(C)n(c2c1cccc2)CCOc1ccccc1Cl)/C(=O)NCc1ccccc1

STK003313
Synonyms: methyl4- {5- [(Z)- (2- benzyl- 5- imino- 7- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene)methyl]furan- 2- yl}benzoate
Smiles: COC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)Cc1ccccc1

STK003317
Synonyms: N- (3- cyano- 5- methyl- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)- 4- (3- methylbutoxy)benzamide
Smiles: N#Cc1c(NC(=O)c2ccc(cc2)OCCC(C)C)sc2c1CC(C)CC2

STK003365
Synonyms: 3- acetyl- 8- (butoxymethyl)- 3- methyl- 2,7- dioxaspiro[4.4]nonane- 1,6- dione
Smiles: CCCCOCC1OC(=O)C2(C1)CC(OC2=O)(C)C(=O)C

STK003367
Synonyms: N- [5- (2- methylpropyl)- 1,3,4- thiadiazol- 2- yl]naphthalene- 1- carboxamide
Smiles: CC(Cc1nnc(s1)NC(=O)c1cccc2c1cccc2)C

STK003379
Synonyms: 2- phenyl- 2- (quinolin- 7- ylamino)- 1H- indene- 1,3(2H)- dione
Smiles: O=C1c2ccccc2C(=O)C1(Nc1ccc2c(c1)nccc2)c1ccccc1

STK003393
Synonyms: 3- bromo- 4- hydroxy- 7,9- dimethylthieno[2,3- b:4,5- b']dipyridin- 2(1H)- one
Smiles: Cc1cc(C)c2c(n1)sc1c2[nH]c(=O)c(c1O)Br

STK003404
Synonyms: 6- amino- 1- (4- bromophenyl)- 4- (4- chlorophenyl)- 3- methyl- 1,3a,4,7a- tetrahydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)OC2C(C1c1ccc(cc1)Cl)C(=NN2c1ccc(cc1)Br)C

STK003414
Synonyms: 1,2,4- oxadiazole- 3,5- diyldibenzene- 4,1- diylbis(4- ethoxy- 2,3- difluorobenzoate)
Smiles: CCOc1ccc(c(c1F)F)C(=O)Oc1ccc(cc1)c1onc(n1)c1ccc(cc1)OC(=O)c1ccc(c(c1F)F)OCC

STK003432
Synonyms: 3- ({[4- (diethylamino)phenyl]amino}methyl)- 1,3- benzoxazol- 2(3H)- one
Smiles: CCN(c1ccc(cc1)NCn1c(=O)oc2c1cccc2)CC

STK003453
Synonyms: (2E)- N- {[3- (1,3- benzoxazol- 2- yl)- 2- methylphenyl]carbamothioyl}- 3- (4- chlorophenyl)prop- 2- enamide
Smiles: O=C(NC(=S)Nc1cccc(c1C)c1nc2c(o1)cccc2)/C=C/c1ccc(cc1)Cl

STK003480
Synonyms: 2- (1H- benzotriazol- 1- yl)- N'- [(E)- (2- hydroxyphenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc2c1cccc2)N/N=C/c1ccccc1O

STK003493
Synonyms: (Z)- (benzylimino)[(4- methylphenyl)sulfonyl]methanethiol
Smiles: Cc1ccc(cc1)S(=O)(=O)/C(=N\Cc1ccccc1)/S

STK003498
Synonyms: 2,2,2- trifluoro- N- {5- [(2- fluorophenoxy)methyl]- 1,3,4- thiadiazol- 2- yl}acetamide
Smiles: O=C(C(F)(F)F)Nc1nnc(s1)COc1ccccc1F

STK003543
Synonyms: 2- {[1- (2,4- dichlorophenyl)- 3- methoxy- 3- oxopropyl]carbamoyl}cyclohexanecarboxylicacid
Smiles: COC(=O)CC(c1ccc(cc1Cl)Cl)NC(=O)C1CCCCC1C(=O)O

STK003554
Synonyms: 4- (4- fluorophenyl)- 3a,4,5,9b- tetrahydro- 3H- cyclopenta[c]quinoline- 8- carboxylicacid
Smiles: Fc1ccc(cc1)C1Nc2ccc(cc2C2C1CC=C2)C(=O)O

STK003562
Synonyms: 1- (2- methoxyphenyl)- 3- {5- [(4- propylphenoxy)methyl]- 1,3,4- thiadiazol- 2- yl}urea
Smiles: CCCc1ccc(cc1)OCc1nnc(s1)NC(=O)Nc1ccccc1OC

STK003573
Synonyms: 1,3- dimethyl- 8- sulfanyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Sc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

STK003589
Synonyms: 3- benzyl- 4- [(3- chloro- 2- methylphenyl)amino]- 4- oxobutanoicacid
Smiles: OC(=O)CC(C(=O)Nc1cccc(c1C)Cl)Cc1ccccc1

STK003601
Synonyms: 2- bromo- 6- (4- methylphenyl)- 4- (3- nitrophenyl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(Br)nc(cc1c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)C

STK003610
Synonyms: 1- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 4- (phenylcarbonyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(=C)CSc1nnc2n1c1sc3c(c1c(=O)n2C(=O)c1ccccc1)CCCC3

STK003612
Synonyms: 9- phenylacenaphtho[1,2- e]imidazo[1,2- b][1,2,4]triazine
Smiles: c1ccc(cc1)c1nc2n(c1)nc1c(n2)c2cccc3c2c1ccc3

STK003653
Synonyms: (2E)- 1- (4- chlorophenyl)- 3- [(6- methylpyridin- 2- yl)amino]prop- 2- en- 1- one
Smiles: Clc1ccc(cc1)C(=O)/C=C/Nc1cccc(n1)C

STK003669
Synonyms: N- {4- tert- butyl- 1- [1- (diphenylmethyl)- 1H- tetrazol- 5- yl]cyclohexyl}- 2- methoxyacetamide
Smiles: COCC(=O)NC1(CCC(CC1)C(C)(C)C)c1nnnn1C(c1ccccc1)c1ccccc1

STK003677
Synonyms: benzene- 1,3- diylbis(4- chlorobenzoate)
Smiles: O=C(c1ccc(cc1)Cl)Oc1cccc(c1)OC(=O)c1ccc(cc1)Cl

STK003686
Synonyms: 1- [3- (benzyloxy)benzyl]- N- [2- (3,4- dimethoxyphenyl)ethyl]- N- methylpiperidine- 4- carboxamide
Smiles: COc1cc(CCN(C(=O)C2CCN(CC2)Cc2cccc(c2)OCc2ccccc2)C)ccc1OC

STK003710
Synonyms: 1- [3- (5- oxo- 1- phenyl- 2- thioxoimidazolidin- 4- yl)propyl]- 3- phenylthiourea
Smiles: S=C(Nc1ccccc1)NCCCC1NC(=S)N(C1=O)c1ccccc1

STK003732
Synonyms: ethyl{[5- (methylsulfanyl)- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nnc2n1c(SC)nc1c2c2CCCc2s1

STK003739
Synonyms: N- (3,5- dimethyl- 4H- 1,2,4- triazol- 4- yl)- 6- methoxy- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: COc1ccc2c(c1)cc(c(=O)o2)C(=O)Nn1c(C)nnc1C

STK003771
Synonyms: 1- [(1E)- 1- [4- (dimethylamino)phenyl]- 3- oxo- 3- (3,3,4- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)prop- 1- en- 2- yl]pyridin- 2(1H)- one
Smiles: O=C(/C(=C\c1ccc(cc1)N(C)C)/n1ccccc1=O)N1CC2CC1C(C)C(C2)(C)C

STK003775
Synonyms: 2- ({[4- (dimethylamino)phenyl]amino}methyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: CN(c1ccc(cc1)NCN1C(=O)c2c(C1=O)cccc2)C

STK003791
Synonyms: 4- tert- butylphenyl4- tert- butylbenzoate
Smiles: O=C(c1ccc(cc1)C(C)(C)C)Oc1ccc(cc1)C(C)(C)C

STK003793
Synonyms: 2- methoxy- N- (naphthalen- 1- yl)- 2- phenylacetamide
Smiles: COC(C(=O)Nc1cccc2c1cccc2)c1ccccc1

STK003800
Synonyms: N- [1- (4- chlorophenyl)- 2- cyano- 1H- benzo[f]chromen- 3- yl]- 2- phenylacetamide
Smiles: N#CC1=C(NC(=O)Cc2ccccc2)Oc2c(C1c1ccc(cc1)Cl)c1ccccc1cc2

STK003803
Synonyms: 1- (3- ethoxy- 4- hydroxybenzyl)- N- (2- phenylethyl)piperidine- 4- carboxamide
Smiles: CCOc1cc(ccc1O)CN1CCC(CC1)C(=O)NCCc1ccccc1

STK003834
Synonyms: (4Z)- 4- [2- (9,10- dioxo- 9,10- dihydroanthracen- 2- yl)hydrazinylidene]- 3- (4- nitrophenyl)- 5- oxo- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: NC(=S)N1N=C(/C(=N/Nc2ccc3c(c2)C(=O)c2c(C3=O)cccc2)/C1=O)c1ccc(cc1)[N+](=O)[O-]

STK003843
Synonyms: 2- (2- nitrophenoxy)- N'- (2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)acetohydrazide
Smiles: O=C(COc1ccccc1[N+](=O)[O-])NN=C1C(=O)NC(=O)NC1=O

STK003856
Synonyms: N- (2,5- dimethoxyphenyl)- 4- (2- oxopyrrolidin- 1- yl)benzenesulfonamide
Smiles: COc1ccc(cc1NS(=O)(=O)c1ccc(cc1)N1CCCC1=O)OC

STK003872
Synonyms: 1- (biphenyl- 4- yl)- 1H- pyrrole- 2,5- dione
Smiles: O=C1C=CC(=O)N1c1ccc(cc1)c1ccccc1

STK003878
Synonyms: N- {(2Z)- 6- chloro- 3- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]- 2H- chromen- 2- ylidene}- 1,3- thiazol- 2- amine
Smiles: Cc1ccc(cc1)c1csc(n1)c1cc2cc(Cl)ccc2o/c/1=N\c1nccs1

STK003908
Synonyms: 7- tert- butyl- 2- {4- [(2- chlorobenzyl)oxy]phenyl}- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Clc1ccccc1COc1ccc(cc1)c1nc2sc3c(c2c(=O)[nH]1)CCC(C3)C(C)(C)C

STK003909
Synonyms: 1- (3,4- dichlorophenyl)- 3- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]urea
Smiles: COc1ccc(cc1)c1csc(n1)NC(=O)Nc1ccc(c(c1)Cl)Cl

STK003914
Synonyms: 2- amino- 6- [(2- chlorobenzyl)sulfanyl]pyridine- 3,5- dicarbonitrile
Smiles: N#Cc1cc(C#N)c(nc1SCc1ccccc1Cl)N

STK003954
Synonyms: dimethyl2- ({[(4- methylphenyl)sulfonyl]carbamoyl}amino)benzene- 1,4- dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=O)NS(=O)(=O)c1ccc(cc1)C)C(=O)OC

STK003971
Synonyms: tert- butyl(2E)- 2- {4- [(furan- 2- ylcarbonyl)oxy]benzylidene}hydrazinecarboxylate
Smiles: O=C(OC(C)(C)C)N/N=C/c1ccc(cc1)OC(=O)c1ccco1

STK003980
Synonyms: 6- methyl- 4- phenyl- 3,4- dihydro- 1H- pyrazolo[3,4- c][1,2,5]thiadiazole2- oxide
Smiles: Cc1nn(c2c1[nH]s(=O)[nH]2)c1ccccc1

STK004023
Synonyms: 3- [3- (2,6- difluorophenyl)- 1,2,4- oxadiazol- 5- yl]pyridine
Smiles: Fc1cccc(c1c1noc(n1)c1cccnc1)F

STK004035
Synonyms: (1E)- 1- [1- (dibenzo[b,d]thiophen- 2- yl)ethylidene]- 2- phenylhydrazine
Smiles: C/C(=N\Nc1ccccc1)/c1ccc2c(c1)c1ccccc1s2

STK004037
Synonyms: 4- bromo- 3- methylphenyl(naphthalen- 2- yloxy)acetate
Smiles: O=C(Oc1ccc(c(c1)C)Br)COc1ccc2c(c1)cccc2

STK004073
Synonyms: N- [4- (5- chloro- 1,3- benzoxazol- 2- yl)- 3- hydroxyphenyl]- 3,4- dimethoxybenzamide
Smiles: COc1cc(ccc1OC)C(=O)Nc1ccc(c(c1)O)c1nc2c(o1)ccc(c2)Cl

STK004081
Synonyms: (5E)- 5- {3- bromo- 5- ethoxy- 4- [(4- methylbenzyl)oxy]benzylidene}- 3- methyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1cc(/C=C\2/SC(=S)N(C2=O)C)cc(c1OCc1ccc(cc1)C)Br

STK004088
Synonyms: 1- {[6- methyl- 3- (prop- 1- en- 2- yl)tetrahydro- 2H- pyran- 2- yl]methyl}pyrrolidine
Smiles: CC1CCC(C(O1)CN1CCCC1)C(=C)C

STK004115
Synonyms: (2E)- 3- {1- [2- (3,5- dimethylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}- 2- (4- nitrophenyl)prop- 2- enenitrile
Smiles: N#C/C(=C/c1c(C)n(c2c1cccc2)CCOc1cc(C)cc(c1)C)/c1ccc(cc1)[N+](=O)[O-]

STK004131
Synonyms: (3R,10bS)- 3- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)- 2,3- dihydropyrrolo[2,1- a]isoquinoline- 1,1(10bH)- dicarbonitrile
Smiles: N#CC1(C#N)C[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3

STK004135
Synonyms: N- (3- carbamoyl- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)- 3- chloro- 6- methoxy- 1- benzothiophene- 2- carboxamide
Smiles: COc1ccc2c(c1)sc(c2Cl)C(=O)Nc1sc2c(c1C(=O)N)CCCC2

STK004156
Synonyms: 2,2,3,3- tetrafluoropropyl4- [(2- bromophenyl)amino]- 4- oxobutanoate
Smiles: O=C(OCC(C(F)F)(F)F)CCC(=O)Nc1ccccc1Br

STK004158
Synonyms:
Smiles: Cc1cc2[nH+]c[nH]c2cc1C.CC

STK004160
Synonyms: 2- (3,4- dihydroisoquinolin- 2(1H)- ylmethyl)- 6- ethoxyphenol
Smiles: CCOc1cccc(c1O)CN1CCc2c(C1)cccc2

STK004171
Synonyms: 4- [(3- phenylpropanoyl)amino]benzoicacid
Smiles: O=C(Nc1ccc(cc1)C(=O)O)CCc1ccccc1

STK004199
Synonyms: 4- {[(E)- (4- chloro- 3- nitrophenyl)methylidene]amino}benzenesulfonamide
Smiles: [O-][N+](=O)c1cc(/C=N/c2ccc(cc2)S(=O)(=O)N)ccc1Cl

STK004220
Synonyms: 3- [(4,6- dimethylquinazolin- 2- yl)amino]- 5- methyl- 1H- 2,4- benzodiazepin- 1- one
Smiles: Cc1ccc2c(c1)c(C)nc(n2)Nc1nc(=O)c2c(c(n1)C)cccc2

STK004228
Synonyms: N- (2- methyl- 4- {[(2- nitrophenoxy)acetyl]amino}phenyl)furan- 2- carboxamide
Smiles: O=C(Nc1ccc(c(c1)C)NC(=O)c1ccco1)COc1ccccc1[N+](=O)[O-]

STK004230
Synonyms: ethyl4- ({(E)- [4- (methylsulfanyl)phenyl]methylidene}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)/N=C/c1ccc(cc1)SC

STK004250
Synonyms: (6Z)- 5- imino- 6- {3- methoxy- 4- [(4- methylbenzyl)oxy]benzylidene}- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccc(cc1)C)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK004256
Synonyms: 4- [(Z)- {1- [4- (butan- 2- yl)phenyl]- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene}methyl]benzoicacid
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(cc2)C(=O)O)/C1=O)C

STK004265
Synonyms: methyl4- {[4- (carbamimidoylsulfamoyl)phenyl]amino}- 4- oxobutanoate
Smiles: COC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)NC(=N)N

STK004290
Synonyms: 5- (diethoxymethyl)- 6- hydroxy- 6- methyl- 4- (3- nitrophenyl)- 2,3a,4,5,6,7- hexahydro- 3H- indazol- 3- one
Smiles: CCOC(C1C(c2cccc(c2)[N+](=O)[O-])C2C(=O)NN=C2CC1(C)O)OCC

STK004318
Synonyms: (6Z)- 6- [3- bromo- 5- methoxy- 4- (3- phenoxypropoxy)benzylidene]- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCCCOc1ccccc1)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK004328
Synonyms: (5Z)- 5- {[1- (2,4- dichlorobenzyl)- 2- methyl- 1H- indol- 3- yl]methylidene}imidazolidine- 2,4- dione
Smiles: O=C1NC(=O)/C(=C/c2c(C)n(c3c2cccc3)Cc2ccc(cc2Cl)Cl)/N1

STK004341
Synonyms: ethyl6- {5- [(carbamimidoylsulfanyl)methyl]- 2- oxo- 2,3- dihydro- 1H- imidazol- 4- yl}- 6- hydroxyhexanoate
Smiles: CCOC(=O)CCCCC(c1[nH]c(=O)[nH]c1CSC(=N)N)O

STK004360
Synonyms: N- tert- butyl- 4- methyl- N- (4- nitrobenzyl)benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(C(C)(C)C)Cc1ccc(cc1)[N+](=O)[O-]

STK004363
Synonyms: 2- (2- amino- 5- chlorophenyl)- 4- (4- fluorophenyl)phthalazin- 1(2H)- one
Smiles: Fc1ccc(cc1)c1nn(c2cc(Cl)ccc2N)c(=O)c2c1cccc2

STK004366
Synonyms: N- {(1E,2Z,4E)- 3- chloro- 5- [methyl(phenyl)amino]penta- 2,4- dien- 1- ylidene}- N- methylanilinium
Smiles: Cl/C(=C\C=[N+](\c1ccccc1)/C)/C=C/N(c1ccccc1)C

STK004376
Synonyms: 2- {(2E)- 2- [1- (4- bromophenyl)ethylidene]hydrazinyl}quinoline
Smiles: Brc1ccc(cc1)/C(=N/Nc1ccc2c(n1)cccc2)/C

STK004380
Synonyms: 6- (4- butylphenoxy)- 2- (4'- octylbiphenyl- 4- yl)- 7H- benzo[e]perimidin- 7- one
Smiles: CCCCCCCCc1ccc(cc1)c1ccc(cc1)c1nc2ccc(c3c2c(n1)c1ccccc1C3=O)Oc1ccc(cc1)CCCC

STK004390
Synonyms: 2- methoxy- N- (2- methoxybenzyl)cyclohexanamine
Smiles: COC1CCCCC1NCc1ccccc1OC

STK004398
Synonyms: (5Z)- 5- (4- {2- [(4- chlorophenyl)sulfanyl]ethoxy}benzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: O=C1NC(=S)S/C/1=C\c1ccc(cc1)OCCSc1ccc(cc1)Cl

STK004402
Synonyms: N~2~- (4- chlorophenyl)- N~4~- [2- (morpholin- 4- yl)ethyl]- N~6~- (4- nitrophenyl)- 1,3,5- triazine- 2,4,6- triamine
Smiles: Clc1ccc(cc1)Nc1nc(NCCN2CCOCC2)nc(n1)Nc1ccc(cc1)[N+](=O)[O-]

STK004417
Synonyms: 2- bromo- N- (4- {[(2- fluorophenyl)carbonyl]amino}phenyl)benzamide
Smiles: O=C(c1ccccc1F)Nc1ccc(cc1)NC(=O)c1ccccc1Br

STK004446
Synonyms: 2- cyclohexyl- 5- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: O=C1CC(=NN1C1CCCCC1)c1ccccc1

STK004455
Synonyms: (4Z)- 2- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]- 5- methyl- 4- [2- (2- methyl- 5- nitrophenyl)hydrazinylidene]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: COc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2cc(ccc2C)[N+](=O)[O-])/C1=O)C

STK004482
Synonyms: ethyl{2- imino- 3- [2- (naphthalen- 1- yloxy)ethyl]- 2,3- dihydro- 1H- benzimidazol- 1- yl}acetate
Smiles: CCOC(=O)Cn1c(=N)n(c2c1cccc2)CCOc1cccc2c1cccc2

STK004492
Synonyms: 2,2,4- trimethyl- 4- (4- methylphenyl)- N- phenyl- 3,4- dihydroquinoline- 1(2H)- carboxamide
Smiles: Cc1ccc(cc1)C1(C)CC(C)(C)N(c2c1cccc2)C(=O)Nc1ccccc1

STK004510
Synonyms: N- methyl- 2- phenylquinoline- 4- carboxamide
Smiles: CNC(=O)c1cc(nc2c1cccc2)c1ccccc1

STK004521
Synonyms: (4E)- 4- {[5- (2- bromo- 4- nitrophenyl)furan- 2- yl]methylidene}- 1- phenylpyrazolidine- 3,5- dione
Smiles: O=C1NN(C(=O)/C/1=C/c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-])c1ccccc1

STK004523
Synonyms: N'- [(2- methylphenyl)carbonyl]pyridine- 4- carbohydrazide
Smiles: O=C(c1ccncc1)NNC(=O)c1ccccc1C

STK004529
Synonyms: N- [4- (2- oxo- 2H- chromen- 3- yl)phenyl]naphthalene- 1- carboxamide
Smiles: O=c1oc2ccccc2cc1c1ccc(cc1)NC(=O)c1cccc2c1cccc2

STK004540
Synonyms: 4- fluoro- N- [2- (hydroxymethyl)phenyl]benzamide
Smiles: OCc1ccccc1NC(=O)c1ccc(cc1)F

STK004542
Synonyms: N- [3- (dimethylamino)- 2,2- dimethylpropyl]- 1- (pyridin- 2- ylmethyl)piperidine- 4- carboxamide
Smiles: CN(CC(CNC(=O)C1CCN(CC1)Cc1ccccn1)(C)C)C

STK004561
Synonyms: (5Z)- 5- {4- [2- (4- bromophenoxy)ethoxy]- 3,5- dichlorobenzylidene}- 1- (4- bromophenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Brc1ccc(cc1)OCCOc1c(Cl)cc(cc1Cl)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br

STK004572
Synonyms: N- {(Z)- (acetylamino)[(6- ethoxy- 4- methylquinazolin- 2- yl)amino]methylidene}acetamide
Smiles: CCOc1ccc2c(c1)c(C)nc(n2)N/C(=N/C(=O)C)/NC(=O)C

STK004577
Synonyms: N- (2,6- dichloro- 4- nitrophenyl)- 2- methylbenzamide
Smiles: Clc1cc(cc(c1NC(=O)c1ccccc1C)Cl)[N+](=O)[O-]

STK004585
Synonyms: {2- [(acetyloxy)(phenyl)methyl]butyl}(chloro)mercury
Smiles: Cl[Hg]CC(C(c1ccccc1)OC(=O)C)CC

STK004594
Synonyms: 1- (3- heptyl- 2- imino- 2,3- dihydro- 1H- benzimidazol- 1- yl)- 3- phenoxypropan- 2- ol
Smiles: CCCCCCCn1c(=N)n(c2c1cccc2)CC(COc1ccccc1)O

STK004600
Synonyms: [3- cyclohexyl- 5- hydroxy- 5- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 1- yl](4- hydroxyphenyl)methanone
Smiles: O=C(N1N=C(CC1(O)C(F)(F)F)C1CCCCC1)c1ccc(cc1)O

STK004601
Synonyms: N- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbamothioyl)butanamide
Smiles: CCCC(=O)NC(=S)NC12CC3CC(C2)CC(C1)C3

STK004604
Synonyms: 1- (cyclohex- 3- en- 1- ylmethyl)- N- (furan- 2- ylmethyl)piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)CC1CCC=CC1)NCc1ccco1

STK004620
Synonyms: 1- (3,4- dimethylphenyl)- 3- (5- {[(4- fluorobenzyl)sulfanyl]methyl}- 1,3,4- thiadiazol- 2- yl)urea
Smiles: O=C(Nc1ccc(c(c1)C)C)Nc1nnc(s1)CSCc1ccc(cc1)F

STK004661
Synonyms: N,N'- (9,10- dioxo- 9,10- dihydroanthracene- 1,4- diyl)bis[4- (pentyloxy)benzamide]
Smiles: CCCCCOc1ccc(cc1)C(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)c1ccc(cc1)OCCCCC

STK004668
Synonyms: (6Z)- 6- {3- chloro- 5- ethoxy- 4- [2- (2- methoxyphenoxy)ethoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1ccccc1OC)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK004674
Synonyms: N- (5- {[4- (dimethylamino)phenyl]sulfanyl}- 1,3,4- thiadiazol- 2- yl)- 2- phenoxyacetamide
Smiles: CN(c1ccc(cc1)Sc1nnc(s1)NC(=O)COc1ccccc1)C

STK004700
Synonyms: 3- (butan- 2- ylsulfanyl)- 5H- [1,2,4]triazino[5,6- b]indole
Smiles: CCC(Sc1nnc2c(n1)[nH]c1c2cccc1)C

STK004712
Synonyms: 1,4- dibutoxy- 2,5- dinitrobenzene
Smiles: CCCCOc1cc([N+](=O)[O-])c(cc1[N+](=O)[O-])OCCCC

STK004716
Synonyms: (5Z)- 5- {4- [2- (4- bromophenoxy)ethoxy]- 3- chloro- 5- methoxybenzylidene}- 3- phenyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)c2ccccc2)cc(c1OCCOc1ccc(cc1)Br)Cl

STK004722
Synonyms: 1- [6- (carbamoylamino)hexyl]- 5- [(S)- {1- [6- (carbamoylamino)hexyl]- 6- hydroxy- 2,4- dioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl}(pyridinium- 4- yl)methyl]- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: NC(=O)NCCCCCCn1c(=O)[nH]c(=O)c(c1O)[C@@H](c1c([O-])[nH]c(=O)n(c1=O)CCCCCCNC(=O)N)c1cc[nH+]cc1

STK004725
Synonyms: 1- [2- (phenylsulfanyl)ethyl]pyrrolidineethanedioate
Smiles: C1CCN(C1)CCSc1ccccc1.OC(=O)C(=O)O

STK004732
Synonyms: 2- (1,3- benzoxazol- 2- ylamino)- 5- (pentan- 2- yl)pyrimidine- 4,6- diol
Smiles: CCCC(c1c(O)nc(nc1O)Nc1nc2c(o1)cccc2)C

STK004736
Synonyms: 3- (4- ethoxyphenyl)- N'- [(1E)- 1- (naphthalen- 2- yl)ethylidene]- 1H- pyrazole- 5- carbohydrazide
Smiles: CCOc1ccc(cc1)c1n[nH]c(c1)C(=O)N/N=C(/c1ccc2c(c1)cccc2)\C

STK004737
Synonyms: (5Z)- 5- {3,5- dichloro- 2- [2- (3- methylphenoxy)ethoxy]benzylidene}- 3- (prop- 2- en- 1- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C=CCN1C(=S)S/C(=C\c2cc(Cl)cc(c2OCCOc2cccc(c2)C)Cl)/C1=O

STK004747
Synonyms: 1- azabicyclo[2.2.2]oct- 3- yl(2E)- 3- (2- methoxyphenyl)prop- 2- enoate
Smiles: COc1ccccc1/C=C/C(=O)OC1CN2CCC1CC2

STK004764
Synonyms: 7- benzyl- 3- methyl- 8- [2- (10- oxoanthracen- 9(10H)- ylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=C1c2ccccc2/C(=N/Nc2nc3c(n2Cc2ccccc2)c(=O)[nH]c(=O)n3C)/c2c1cccc2

STK004800
Synonyms: 1- (4- chlorobenzyl)- N- [2- (3,4- dimethoxyphenyl)ethyl]- N- methylpiperidine- 4- carboxamide
Smiles: COc1cc(CCN(C(=O)C2CCN(CC2)Cc2ccc(cc2)Cl)C)ccc1OC

STK004805
Synonyms: 2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 1- (morpholin- 4- yl)- 3- phenylpropane- 1,3- dione
Smiles: Clc1ccc(=O)n(c1)C(C(=O)c1ccccc1)C(=O)N1CCOCC1

STK004812
Synonyms: 3- (4- ethoxyphenyl)- N'- [(1E)- 1- (2- hydroxyphenyl)ethylidene]- 1H- pyrazole- 5- carbohydrazide
Smiles: CCOc1ccc(cc1)c1n[nH]c(c1)C(=O)N/N=C(/c1ccccc1O)\C

STK004817
Synonyms: 3- acetyl- 4- methyl- 4- phenyl- 1- (phenylsulfonyl)pyrrolidin- 2- one
Smiles: CC(=O)C1C(=O)N(CC1(C)c1ccccc1)S(=O)(=O)c1ccccc1

STK004821
Synonyms: N'- [bis(4- methoxyphenyl)methylidene]- 2- (1H- indol- 1- yl)acetohydrazide
Smiles: COc1ccc(cc1)/C(=N/NC(=O)Cn1ccc2c1cccc2)/c1ccc(cc1)OC

STK004831
Synonyms: 4- nitrophenyl4- butoxybenzoate
Smiles: CCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)[N+](=O)[O-]

STK004833
Synonyms: 2- methyl- 3- (2- methylphenyl)- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Cc1ccccc1n1c(C)nc2c(c1=O)c1CCCc1s2

STK004837
Synonyms: 6- [(E)- 2- (4- hydroxy- 3- methoxyphenyl)ethenyl]- 1,3- dimethyl- 5- nitropyrimidine- 2,4(1H,3H)- dione
Smiles: COc1cc(ccc1O)/C=C/c1n(C)c(=O)n(c(=O)c1[N+](=O)[O-])C

STK004909
Synonyms: 4- (5- pentylpyridin- 2- yl)benzoicacid
Smiles: CCCCCc1ccc(nc1)c1ccc(cc1)C(=O)O

STK004937
Synonyms: 1- [(4- bromobenzyl)sulfonyl]- 1H- imidazole
Smiles: Brc1ccc(cc1)CS(=O)(=O)n1cncc1

STK004952
Synonyms: 3'- aminobiphenyl- 3- carboxylicacid
Smiles: Nc1cccc(c1)c1cccc(c1)C(=O)O

STK004995
Synonyms: 4- {4- [acetyl(phenyl)amino]- 2- methyl- 3,4- dihydroquinolin- 1(2H)- yl}- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1C(C)CC(c2c1cccc2)N(c1ccccc1)C(=O)C

STK005001
Synonyms: 2- {[(2,2- dimethylpropanoyl)carbamothioyl]amino}benzoicacid
Smiles: S=C(Nc1ccccc1C(=O)O)NC(=O)C(C)(C)C

STK005019
Synonyms: methyl6- amino- 5- cyano- 4- (2,5- dimethoxyphenyl)- 2- ethyl- 4H- pyran- 3- carboxylate
Smiles: COc1ccc(c(c1)C1C(=C(N)OC(=C1C(=O)OC)CC)C#N)OC

STK005026
Synonyms: 1- [3- (dimethylamino)propyl]- 3- (4- fluorophenyl)thiourea
Smiles: CN(CCCNC(=S)Nc1ccc(cc1)F)C

STK005032
Synonyms: (2E)- N- benzyl- 2- cyano- 3- [1- (2,4- dichlorobenzyl)- 2- methyl- 1H- indol- 3- yl]prop- 2- enamide
Smiles: N#C/C(=C\c1c(C)n(c2c1cccc2)Cc1ccc(cc1Cl)Cl)/C(=O)NCc1ccccc1

STK005037
Synonyms: 1- (2- chloro- 6- fluorobenzyl)- 3,7- dimethyl- 8- (4- methylpiperidin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC1CCN(CC1)c1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1c(F)cccc1Cl

STK005045
Synonyms: (2,4- dinitrophenyl)methanol
Smiles: OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

STK005046
Synonyms: 8- (1,3- benzodioxol- 5- ylmethoxy)- 7- (2- chloro- 6- fluorobenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1cccc(c1Cn1c(OCc2ccc3c(c2)OCO3)nc2c1c(=O)n(c(=O)n2C)C)Cl

STK005066
Synonyms: N- (2- bromophenyl)- 7- (diethylamino)- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: CCN(c1ccc2c(c1)oc(=O)c(c2)C(=O)Nc1ccccc1Br)CC

STK005108
Synonyms: 1,3- benzodioxol- 5- yl(thiophen- 2- yl)methanol
Smiles: OC(c1ccc2c(c1)OCO2)c1cccs1

STK005111
Synonyms: 2,6- diamino- 4- (4- chloro- 1,3- benzodioxol- 5- yl)- 4H- thiopyran- 3,5- dicarbonitrile
Smiles: N#CC1=C(N)SC(=C(C1c1ccc2c(c1Cl)OCO2)C#N)N

STK005114
Synonyms: N- (3- cyano- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl)- 2- nitrobenzenesulfonamide
Smiles: N#Cc1c(sc2c1CCC2)NS(=O)(=O)c1ccccc1[N+](=O)[O-]

STK005142
Synonyms: (6Z)- 6- (4- chlorobenzylidene)- 2- ethyl- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)Cl)/C2=N)s1

STK005143
Synonyms: (5E)- 5- [4- (piperidin- 1- yl)benzylidene]- 2- thioxoimidazolidin- 4- one
Smiles: O=C1NC(=S)N/C/1=C/c1ccc(cc1)N1CCCCC1

STK005157
Synonyms: 5- (4- tert- butylphenyl)- 3- [2- (trifluoromethyl)phenyl]- 1,2,4- oxadiazole
Smiles: CC(c1ccc(cc1)c1onc(n1)c1ccccc1C(F)(F)F)(C)C

STK005177
Synonyms: 4- [(phenylcarbamothioyl)amino]- N- (1,3- thiazol- 2- yl)benzenesulfonamide
Smiles: S=C(Nc1ccccc1)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

STK005251
Synonyms: 4- methyl- 2- (methylsulfonyl)pyrimidine
Smiles: Cc1ccnc(n1)S(=O)(=O)C

STK005261
Synonyms: 1- (3- chlorobenzyl)- 8- [(3- hydroxypropyl)amino]- 3,7- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1cccc(c1)Cl

STK005262
Synonyms: 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: CC(=C)Cn1c(SCC(=O)N)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK005283
Synonyms: (3E)- 3- [2- (naphthalen- 1- ylcarbonyl)hydrazinylidene]- N- (pyridin- 2- yl)butanamide
Smiles: C/C(=N\NC(=O)c1cccc2c1cccc2)/CC(=O)Nc1ccccn1

STK005289
Synonyms: 4- oxo- N,N- diphenyl- 4- [(2Z)- 2- {phenyl[4- (trifluoromethyl)phenyl]methylidene}hydrazinyl]butanamide
Smiles: O=C(CCC(=O)N(c1ccccc1)c1ccccc1)N/N=C(\c1ccc(cc1)C(F)(F)F)/c1ccccc1

STK005329
Synonyms: 3- chloro- 4- methoxy- N- {4- [5- (propan- 2- yl)- 1,3- benzoxazol- 2- yl]phenyl}benzamide
Smiles: COc1ccc(cc1Cl)C(=O)Nc1ccc(cc1)c1nc2c(o1)ccc(c2)C(C)C

STK005341
Synonyms: N- (2,4- dimethoxyphenyl)- 2- [(4- methoxyphenyl)amino]- 4- oxo- 5,6- dihydro- 4H- 1,3- thiazine- 6- carboxamide
Smiles: COc1ccc(cc1)NC1=NC(=O)CC(S1)C(=O)Nc1ccc(cc1OC)OC

STK005352
Synonyms: (5E)- 5- {[5- (benzyloxy)- 1H- indol- 3- yl]methylidene}- 2- imino- 1,3- thiazolidin- 4- one
Smiles: O=C1NC(=N)S/C/1=C/c1c[nH]c2c1cc(OCc1ccccc1)cc2

STK005373
Synonyms: diethyl4- ethyl- 2,6- dimethyl- 1,4- dihydropyridine- 3,5- dicarboxylate
Smiles: CCC1C(=C(C)NC(=C1C(=O)OCC)C)C(=O)OCC

STK005374
Synonyms: 2- oxo- 2- (1,2,3,4- tetrahydroquinolin- 2- yl)ethyl2- (6- methoxynaphthalen- 2- yl)propanoate
Smiles: COc1ccc2c(c1)ccc(c2)C(C(=O)OCC(=O)C1CCc2c(N1)cccc2)C

STK005385
Synonyms: N- [2- methyl- 1- (phenylcarbonyl)- 1,2,3,4- tetrahydroquinolin- 4- yl]- N- phenylbutanamide
Smiles: CCCC(=O)N(C1CC(C)N(c2c1cccc2)C(=O)c1ccccc1)c1ccccc1

STK005395
Synonyms: (2E)- 3- {4- [2- (2- chlorophenoxy)ethoxy]- 3- methoxyphenyl}- 2- cyano- N- (furan- 2- ylmethyl)prop- 2- enamide
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCCOc1ccccc1Cl)/C(=O)NCc1ccco1

STK005399
Synonyms: 4- [(5- hydroxy- 2,5- dimethylhex- 3- yn- 2- yl)peroxy]- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)OOC(C#CC(O)(C)C)(C)C

STK005408
Synonyms: [(hydroxymethyl){bis[(hydroxy- kappaO)methyl]}phenylphosphoniumato(2- )](diphenyl)boron
Smiles: OC[P+]1(CO[B-](OC1)(c1ccccc1)c1ccccc1)c1ccccc1

STK005435
Synonyms: (6Z)- 6- ({1- [2- (3- ethyl- 5- methylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCc1cc(OCCn2cc(c3c2cccc3)/C=C/2\C(=O)N=c3n(C2=N)c(cs3)c2ccccc2)cc(c1)C

STK005441
Synonyms: N'- [(E)- {2- [3- (2,5- dimethylphenoxy)propoxy]- 3- methoxyphenyl}methylidene]acetohydrazide
Smiles: COc1cccc(c1OCCCOc1cc(C)ccc1C)/C=N/NC(=O)C

STK005464
Synonyms: 2,6- dichloro- N- (2,4- dimethoxyphenyl)benzamide
Smiles: COc1cc(OC)ccc1NC(=O)c1c(Cl)cccc1Cl

STK005488
Synonyms: 4,11- diamino- 2- [3- (diethylamino)propyl]- 1H- naphtho[2,3- f]isoindole- 1,3,5,10(2H)- tetrone
Smiles: CCN(CCCn1c(=O)c2c(c1=O)c(N)c1c(c2N)c(=O)c2c(c1=O)cccc2)CC

STK005494
Synonyms: 4- benzyl- 2- {(E)- [(3- chloro- 4- methoxyphenyl)imino]methyl}- 6- methylphenol
Smiles: COc1ccc(cc1Cl)/N=C/c1cc(Cc2ccccc2)cc(c1O)C

STK005537
Synonyms: sodium(2- hydroxycyclohexyl)phosphinate
Smiles: [Na]OP(=O)C1CCCCC1O

STK005560
Synonyms: 2- {[1- (2,4- dichlorophenyl)- 2- methoxy- 2- oxoethyl]carbamoyl}cyclohex- 1- ene- 1- carboxylicacid
Smiles: COC(=O)C(c1ccc(cc1Cl)Cl)NC(=O)C1=C(CCCC1)C(=O)O

STK005596
Synonyms: 2- [(4,7- dimethylquinazolin- 2- yl)amino]- 1,5,6,7- tetrahydro- 4H- cyclopenta[d]pyrimidin- 4- one
Smiles: Cc1ccc2c(c1)nc(nc2C)Nc1nc(=O)c2c([nH]1)CCC2

STK005661
Synonyms: 2,4- dichloro- N- [(E)- 1H- indol- 3- ylmethylidene]aniline
Smiles: Clc1ccc(c(c1)Cl)/N=C/c1c[nH]c2c1cccc2

STK005673
Synonyms: methyl2- {(E)- [(2- hydroxy- 3- methoxyphenyl)imino]methyl}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COc1cccc(c1O)/N=C/c1sc2c(c1C(=O)OC)CCCC2

STK005717
Synonyms: 6- ethyl- 7- methyl- 5- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 2- yldiethylcarbamodithioate
Smiles: CCN(C(=S)Sc1sc2n(n1)c(=O)c(c(n2)C)CC)CC

STK005721
Synonyms: 1- (3,4- dichlorophenyl)- 3- (3- methylbutyl)thiourea
Smiles: CC(CCNC(=S)Nc1ccc(c(c1)Cl)Cl)C

STK005724
Synonyms: 1- (2- carboxyphenyl)- 4- (2- methyl- 4- oxopentan- 2- yl)- 1H- tetrazol- 4- ium
Smiles: CC(=O)CC([n+]1nnn(c1)c1ccccc1C(=O)O)(C)C

STK005727
Synonyms: (5Z)- 5- [3- ethoxy- 4- hydroxy- 5- (prop- 2- en- 1- yl)benzylidene]- 2- thioxoimidazolidin- 4- one
Smiles: CCOc1cc(/C=C/2\NC(=S)NC2=O)cc(c1O)CC=C

STK005742
Synonyms: 1- (1H- benzimidazol- 1- yl)- 4- (4- chloro- 2- methylphenoxy)butan- 1- one
Smiles: Clc1ccc(c(c1)C)OCCCC(=O)n1cnc2c1cccc2

STK005743
Synonyms: 2- [(6- ethoxy- 1,3- benzothiazol- 2- yl)carbamoyl]- 3- nitrobenzoicacid
Smiles: CCOc1ccc2c(c1)sc(n2)NC(=O)c1c(cccc1[N+](=O)[O-])C(=O)O

STK005750
Synonyms: 2- (2,3- dimethylcyclohexyl)- 3- hydroxy- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- one
Smiles: CC1CCCC(C1C)N1C(O)C2=C(C1=O)CCCC2

STK005775
Synonyms: 2- [(E)- (2- carbamoylhydrazinylidene)methyl]phenylbenzenesulfonate
Smiles: NC(=O)N/N=C/c1ccccc1OS(=O)(=O)c1ccccc1

STK005778
Synonyms: 3- [5- (4- fluorophenyl)- 1- (4- hydroxyphenyl)- 1H- pyrrol- 2- yl]propanoicacid
Smiles: OC(=O)CCc1ccc(n1c1ccc(cc1)O)c1ccc(cc1)F

STK005779
Synonyms: 4- [(1H- 1,2,4- triazol- 5- ylsulfanyl)methyl]- 1,3- thiazol- 2- amine
Smiles: Nc1nc(cs1)CSc1ncn[nH]1

STK005782
Synonyms: N- (2- chlorophenyl)- 6- methyl- 2- {[(4- methylphenyl)carbonyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxamide
Smiles: CC1CCc2c(C1)sc(c2C(=O)Nc1ccccc1Cl)NC(=O)c1ccc(cc1)C

STK005785
Synonyms: [1- (2,4- dimethoxybenzyl)piperidin- 4- yl](4- ethylpiperazin- 1- yl)methanone
Smiles: CCN1CCN(CC1)C(=O)C1CCN(CC1)Cc1ccc(cc1OC)OC

STK005800
Synonyms: ethyl2- {[N- (2- phenylethyl)glycyl]amino}- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CNCCc2ccccc2)sc2c1CCC2

STK005810
Synonyms: dimethyl4,4'- hydrazine- 1,2- diylbis(4- oxobutanoate)
Smiles: COC(=O)CCC(=O)NNC(=O)CCC(=O)OC

STK005811
Synonyms: N- {3- [(4- methoxyphenyl)carbamoyl]- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl}pyridine- 4- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(sc2c1CCC2)NC(=O)c1ccncc1

STK005815
Synonyms: 5- (4- chlorophenyl)- 1- (1,3,7- trimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl)- 1H- pyrazole- 3- carboxylicacid
Smiles: Clc1ccc(cc1)c1cc(nn1c1nc2c(n1C)c(=O)n(c(=O)n2C)C)C(=O)O

STK005834
Synonyms: 1- (4- chloro- 2,5- dimethoxyphenyl)- 1H- pyrrole- 2,5- dione
Smiles: COc1cc(c(cc1Cl)OC)N1C(=O)C=CC1=O

STK005842
Synonyms: 4- [(E)- 2- (dimethylamino)ethenyl]- 1,2- dimethyl- 3- nitropyridinium
Smiles: CN(/C=C/c1cc[n+](c(c1[N+](=O)[O-])C)C)C

STK005844
Synonyms: 4- {[(E)- (2- methyl- 1H- indol- 3- yl)methylidene]amino}benzonitrile
Smiles: N#Cc1ccc(cc1)/N=C/c1c(C)[nH]c2c1cccc2

STK005854
Synonyms: N- (cyanomethyl)- 2- phenoxypropanamide
Smiles: CC(C(=O)NCC#N)Oc1ccccc1

STK005860
Synonyms: 2- chloro- 5- {[(diphenylacetyl)carbamothioyl]amino}benzoicacid
Smiles: S=C(Nc1ccc(c(c1)C(=O)O)Cl)NC(=O)C(c1ccccc1)c1ccccc1

STK005869
Synonyms: (3E)- N- (pyridin- 2- yl)- 3- [2- (pyridin- 4- ylcarbonyl)hydrazinylidene]butanamide
Smiles: C/C(=N\NC(=O)c1ccncc1)/CC(=O)Nc1ccccn1

STK005877
Synonyms: N- (3- butoxypropyl)- N'- (2- phenylethyl)butanediamide
Smiles: CCCCOCCCNC(=O)CCC(=O)NCCc1ccccc1

STK005899
Synonyms: N- [(E)- 1H- indol- 3- ylmethylidene]- 3- methoxyaniline
Smiles: COc1cccc(c1)/N=C/c1c[nH]c2c1cccc2

STK005922
Synonyms: 2- (benzylsulfanyl)- 8,8- dimethyl- 3- (2- methylprop- 2- en- 1- yl)- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: CC(=C)Cn1c(SCc2ccccc2)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK005926
Synonyms: (4Z)- 3- (4- nitrophenyl)- 5- oxo- 4- (2- {4- [(Z)- phenyldiazenyl]phenyl}hydrazinylidene)- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: NC(=S)N1N=C(/C(=N/Nc2ccc(cc2)/N=N\c2ccccc2)/C1=O)c1ccc(cc1)[N+](=O)[O-]

STK005940
Synonyms: 2,5- dimethyl- 4- (4- methylphenyl)- 1,3- thiazole
Smiles: Cc1ccc(cc1)c1nc(sc1C)C

STK005962
Synonyms: N- [(5- tert- butyl- 2- hydroxyphenyl)carbamothioyl]- 2- chlorobenzamide
Smiles: S=C(NC(=O)c1ccccc1Cl)Nc1cc(ccc1O)C(C)(C)C

STK005964
Synonyms: 3,4,5- trimethyl- 1H- pyrazol- 1- olate2- oxide
Smiles: Cc1[n+]([O-])n(c(c1C)C)[O-]

STK005980
Synonyms: 2,5- dichloro- N- (cyanomethyl)benzamide
Smiles: Clc1ccc(cc1C(=O)NCC#N)Cl

STK005982
Synonyms: (5Z,5'Z)- 3,3'- ethane- 1,2- diylbis[5- (2- chlorobenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one]
Smiles: S=C1S/C(=C\c2ccccc2Cl)/C(=O)N1CCN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O

STK005996
Synonyms: 2,2'- (9- oxo- 1,5- diphenyl- 3,7- diazabicyclo[3.3.1]nonane- 3,7- diyl)diaceticacid
Smiles: OC(=O)CN1CC2(CN(CC(C1)(C2=O)c1ccccc1)CC(=O)O)c1ccccc1

STK006024
Synonyms: 3- cyclohexyl- 5- (2- methylphenyl)- 1,2,4- oxadiazole
Smiles: Cc1ccccc1c1onc(n1)C1CCCCC1

STK006061
Synonyms: (6Z)- 6- {4- [2- (4- tert- butylphenoxy)ethoxy]- 3- chloro- 5- methoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCCOc1ccc(cc1)C(C)(C)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK006067
Synonyms: ethyl5- hydroxy- 1- methyl- 4- (morpholin- 4- ylmethyl)- 2- [(phenylsulfanyl)methyl]- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(CSc2ccccc2)n(c2c1c(CN1CCOCC1)c(O)cc2)C

STK006189
Synonyms: 5- (3- chlorophenyl)- N- (4,5- dihydro- 1,3- thiazol- 2- ylcarbamothioyl)furan- 2- carboxamide
Smiles: S=C(NC(=O)c1ccc(o1)c1cccc(c1)Cl)NC1=NCCS1

STK006194
Synonyms: 3,5- bis{[(2- methylphenyl)carbonyl]amino}benzoicacid
Smiles: OC(=O)c1cc(cc(c1)NC(=O)c1ccccc1C)NC(=O)c1ccccc1C

STK006220
Synonyms: 2- amino- 4- (2,4- dimethoxyphenyl)- 3- ethynyl- 7- methyl- 4H,5H- pyrano[4,3- b]pyran- 5- one
Smiles: C#CC1=C(N)Oc2c(C1c1ccc(cc1OC)OC)c(=O)oc(c2)C

STK006271
Synonyms: morpholin- 4- yl[1- (naphthalen- 1- ylmethyl)piperidin- 4- yl]methanone
Smiles: O=C(N1CCOCC1)C1CCN(CC1)Cc1cccc2c1cccc2

STK006272
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 6- methyl- N- [3- (trifluoromethyl)phenyl]pyrimidin- 4- amine
Smiles: Cc1cc(Nc2cccc(c2)C(F)(F)F)nc(n1)n1nc(cc1C)C

STK006288
Synonyms: 1- {4- [(4- methylpiperidin- 1- yl)carbonyl]piperidin- 1- yl}- 3- (3- nitrophenyl)- 2- (2- oxopyridin- 1(2H)- yl)propane- 1,3- dione
Smiles: CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-]

STK006298
Synonyms: 2- benzyl- N- (2- methoxyethyl)- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: COCCNC(=O)C1Cc2ccccc2CN1Cc1ccccc1

STK006342
Synonyms: N- [(5- tert- butyl- 2- hydroxyphenyl)carbamothioyl]- 3- nitrobenzamide
Smiles: S=C(Nc1cc(ccc1O)C(C)(C)C)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK006343
Synonyms: methyl4- [10- (cyclopropylcarbonyl)- 1- hydroxy- 3- (thiophen- 2- yl)- 3,4,10,11- tetrahydro- 2H- dibenzo[b,e][1,4]diazepin- 11- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)C1CC1)cccc2)c1cccs1

STK006374
Synonyms: 4- hydroxy- N- (5- methylpyridin- 2- yl)- 2- oxo- 1- pentyl- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CCCCCn1c(=O)c(C(=O)Nc2ccc(cn2)C)c(c2c1cccc2)O

STK006378
Synonyms: 1- benzyl- 5- oxo- 2- phenylproline
Smiles: O=C1CCC(N1Cc1ccccc1)(C(=O)O)c1ccccc1

STK006379
Synonyms: 3- imino- 2- (4- methoxyphenyl)- 6,6- dimethyl- 8- oxo- 2,3,5,6,7,8- hexahydroisoquinoline- 4- carbonitrile
Smiles: N#Cc1c2CC(C)(C)CC(=O)c2cn(c1=N)c1ccc(cc1)OC

STK006398
Synonyms: 2- (4- {2- [(4- chlorophenyl)sulfanyl]ethoxy}phenyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Clc1ccc(cc1)SCCOc1ccc(cc1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3

STK006407
Synonyms: (6Z)- 6- {[5- (3- chloro- 4- fluorophenyl)furan- 2- yl]methylidene}- 2- cyclohexyl- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(o1)c1ccc(c(c1)Cl)F)C1CCCCC1

STK006424
Synonyms: 2- (diethylamino)ethyldiphenoxyacetate
Smiles: CCN(CCOC(=O)C(Oc1ccccc1)Oc1ccccc1)CC

STK006429
Synonyms: 1- azabicyclo[2.2.2]oct- 3- yl3- bromobenzoate
Smiles: Brc1cccc(c1)C(=O)OC1CN2CCC1CC2

STK006442
Synonyms: 4- chloro- N- (pyridin- 3- yl)benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)Nc1cccnc1

STK006451
Synonyms: 2- amino- 4- (2,4- dichlorophenyl)- 7- methyl- 5- oxo- 5,6- dihydro- 4H- pyrano[3,2- c]pyridine- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1Cl)Cl)c(=O)[nH]c(c2)C

STK006471
Synonyms: N- [3- (morpholin- 4- yl)propyl]- N'- (tetrahydrofuran- 2- ylmethyl)butanediamide
Smiles: O=C(CCC(=O)NCC1CCCO1)NCCCN1CCOCC1

STK006483
Synonyms: 2- [(5- nitro- 1- oxidospiro[benzimidazole- 2,1'- cyclohexan]- 4- yl)amino]ethanol
Smiles: OCCNc1c(ccc2=[N+](C3(N=c12)CCCCC3)[O-])[N+](=O)[O-]

STK006493
Synonyms: N- (4- chlorophenyl)- 4- {2- [(5- fluoro- 2- methyl- 1H- indol- 3- yl)acetyl]hydrazinyl}- 4- oxobutanamide
Smiles: O=C(CCC(=O)Nc1ccc(cc1)Cl)NNC(=O)Cc1c(C)[nH]c2c1cc(F)cc2

STK006514
Synonyms: 6- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- (2- methylquinolin- 4- yl)hexanamide
Smiles: O=C(Nc1cc(C)nc2c1cccc2)CCCCCN1C(=O)c2c(C1=O)cccc2

STK006529
Synonyms: (2E)- 3- (2,4- dichlorophenyl)- N- [(4- fluoro- 3- nitrophenyl)carbamothioyl]prop- 2- enamide
Smiles: O=C(NC(=S)Nc1ccc(c(c1)[N+](=O)[O-])F)/C=C/c1ccc(cc1Cl)Cl

STK006551
Synonyms: (4Z)- 1- (4- chlorophenyl)- 4- {[(1E)- 1- (2,4- dichlorophenyl)- 4,4- dimethylpent- 1- en- 3- yl]imino}- 1,3- diazaspiro[4.4]nonane- 2- thione
Smiles: Clc1ccc(cc1)N1C(=S)N/C(=N\C(C(C)(C)C)/C=C/c2ccc(cc2Cl)Cl)/C21CCCC2

STK006559
Synonyms: 1- (azepan- 1- yl)- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropane- 1,3- dione
Smiles: O=c1ccccn1C(C(=O)c1ccccc1)C(=O)N1CCCCCC1

STK006578
Synonyms: 1- [(2R,4R)- 2- methyl- 4- (phenylamino)- 3,4- dihydroquinolin- 1(2H)- yl]- 2- phenoxyethanone
Smiles: C[C@@H]1C[C@@H](Nc2ccccc2)c2c(N1C(=O)COc1ccccc1)cccc2

STK006593
Synonyms: 3- (2- methylphenyl)- 5- (4- phenylcyclohexyl)- 1,2,4- oxadiazole
Smiles: Cc1ccccc1c1noc(n1)C1CCC(CC1)c1ccccc1

STK006605
Synonyms: 5- (ethylsulfanyl)- 3,4- dimethyl- 1- (4- phenylbutan- 2- yl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CCSC1C(=C(C(=O)N1C(CCc1ccccc1)C)C)C

STK006613
Synonyms: N'- [(E)- (2- methoxyphenyl)methylidene]- 2- phenylquinoline- 4- carbohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)c1cc(nc2c1cccc2)c1ccccc1

STK006619
Synonyms: (2Z)- 4- [(1,3- benzodioxol- 5- ylmethyl)amino]- 2,3- dimethyl- 4- oxobut- 2- enoicacid
Smiles: O=C(/C(=C(\C(=O)O)/C)/C)NCc1ccc2c(c1)OCO2

STK006636
Synonyms: N- benzyl- N- ethylpiperidine- 4- carboxamide
Smiles: CCN(C(=O)C1CCNCC1)Cc1ccccc1

STK006638
Synonyms: 4- imino- 6,6,7- trimethyl- 1,4,5,6,7,8- hexahydro- 2H- pyrido[4',3':4,5]thieno[2,3- d][1,3]thiazine- 2- thione
Smiles: CN1Cc2sc3c(c2CC1(C)C)c(=N)sc(=S)[nH]3

STK006641
Synonyms: 1- hydroxy- N- (2- {[2- (3- pentadecylphenoxy)butanoyl]amino}ethyl)naphthalene- 2- carboxamide
Smiles: CCCCCCCCCCCCCCCc1cccc(c1)OC(C(=O)NCCNC(=O)c1ccc2c(c1O)cccc2)CC

STK006643
Synonyms: 3- (4- methoxybenzyl)- 5- (3- methylphenyl)- 1,2,4- oxadiazole
Smiles: COc1ccc(cc1)Cc1noc(n1)c1cccc(c1)C

STK006680
Synonyms: ethyl(2E)- 2- cyano- 3- {2- methyl- 1- [2- (4- methylphenoxy)ethyl]- 1H- indol- 3- yl}prop- 2- enoate
Smiles: CCOC(=O)/C(=C/c1c(C)n(c2c1cccc2)CCOc1ccc(cc1)C)/C#N

STK006703
Synonyms: pyridin- 2- yl3,4,5- trimethoxybenzoate
Smiles: COc1cc(cc(c1OC)OC)C(=O)Oc1ccccn1

STK006717
Synonyms: 1- [(4- methoxynaphthalen- 1- yl)sulfonyl]piperidine
Smiles: COc1ccc(c2c1cccc2)S(=O)(=O)N1CCCCC1

STK006720
Synonyms: 3- (4- methoxybenzyl)- 4- [(4- methoxyphenyl)amino]- 2- methyl- 4- oxobutanoicacid
Smiles: COc1ccc(cc1)CC(C(C(=O)O)C)C(=O)Nc1ccc(cc1)OC

STK006740
Synonyms: ethyl2- {[(E)- (3- fluorophenyl)methylidene]amino}- 5,6,7,8- tetrahydro- 4H- cyclohepta[b]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(/N=C/c2cccc(c2)F)sc2c1CCCCC2

STK006742
Synonyms: N~1~- (3,4- dimethoxyphenyl)piperidine- 1,4- dicarboxamide
Smiles: COc1cc(ccc1OC)NC(=O)N1CCC(CC1)C(=O)N

STK006747
Synonyms: N'- (5,7- dinitroquinolin- 8- yl)- 1H- indole- 3- carbohydrazide
Smiles: O=C(c1c[nH]c2c1cccc2)NNc1c(cc(c2c1nccc2)[N+](=O)[O-])[N+](=O)[O-]

STK006749
Synonyms: 4- (5- {(Z)- [1- (4- ethylphenyl)- 3,5- dioxopyrazolidin- 4- ylidene]methyl}furan- 2- yl)benzoicacid
Smiles: CCc1ccc(cc1)N1NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)C(=O)O)/C1=O

STK006759
Synonyms: N,N'- (oxydibenzene- 4,1- diyl)bis(2- methoxy- 2- phenylacetamide)
Smiles: COC(c1ccccc1)C(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C(c1ccccc1)OC

STK006760
Synonyms: 4- butyl- N'- [(4- heptylphenyl)carbonyl]benzohydrazide
Smiles: CCCCCCCc1ccc(cc1)C(=O)NNC(=O)c1ccc(cc1)CCCC

STK006766
Synonyms: (2E)- 2- {4- [3- (2,6- dimethylphenoxy)propoxy]benzylidene}- N- phenylhydrazinecarboxamide
Smiles: O=C(Nc1ccccc1)N/N=C/c1ccc(cc1)OCCCOc1c(C)cccc1C

STK006775
Synonyms: difluoro[4- (hydroxy- kappaO)- 4- phenylbut- 3- en- 2- onato- kappaO]boron
Smiles: F[B-]1(F)OC(=CC(=[O+]1)C)c1ccccc1

STK006778
Synonyms: 1,3- dimethyl- 5- {1- [(1- phenylpropan- 2- yl)amino]ethylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CC(NC(=C1C(=O)N(C)C(=O)N(C1=O)C)C)Cc1ccccc1

STK006787
Synonyms: 2- {2- methoxy- 4- [(E)- {[3- (trifluoromethyl)phenyl]imino}methyl]phenoxy}acetamide
Smiles: COc1cc(/C=N/c2cccc(c2)C(F)(F)F)ccc1OCC(=O)N

STK006799
Synonyms: (13aS)- dodecahydro- 1H,4H,9H- dipyrido[2,1- b:3',2',1'- ij]quinazoline
Smiles: C1CCC2N(C1)CC1[C@H]3N2CCCC3CCC1

STK006831
Synonyms: 2- (4- methylphenoxy)- N- [(3- methylphenyl)carbamothioyl]acetamide
Smiles: O=C(NC(=S)Nc1cccc(c1)C)COc1ccc(cc1)C

STK006846
Synonyms: N- (3- ethoxypropyl)- 1- (4- methoxybenzyl)piperidine- 4- carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)Cc1ccc(cc1)OC

STK006848
Synonyms: (6Z)- 6- {3- chloro- 5- methoxy- 4- [(4- nitrobenzyl)oxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCc1ccc(cc1)[N+](=O)[O-])Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK006879
Synonyms: {5- [4- (trifluoromethoxy)phenyl]furan- 2- yl}methanol
Smiles: OCc1ccc(o1)c1ccc(cc1)OC(F)(F)F

STK006880
Synonyms: N- (butylcarbamoyl)- 4- ({(E)- [4- (methylsulfanyl)phenyl]methylidene}amino)benzenesulfonamide
Smiles: CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)/N=C/c1ccc(cc1)SC

STK006883
Synonyms: ethyl4- (pyridin- 2- ylmethyl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)Cc1ccccn1

STK006908
Synonyms: methyl2- [(butanoylcarbamothioyl)amino]benzoate
Smiles: CCCC(=O)NC(=S)Nc1ccccc1C(=O)OC

STK006934
Synonyms: N- benzyl- N- tert- butyl- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)N(C(C)(C)C)Cc1ccccc1

STK006948
Synonyms: 1- (3- cyano- 5- ethyl- 5- methyl- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 2- yl)- 3- phenylthiourea
Smiles: CCC1(C)OCc2c(C1)c(C#N)c(s2)NC(=S)Nc1ccccc1

STK006954
Synonyms: N- (2,6- dichloro- 4- nitrophenyl)- 4- iodobenzamide
Smiles: Ic1ccc(cc1)C(=O)Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]

STK006955
Synonyms: 1- (3- nitrophenyl)- 1H- pyrrole- 2- carboxylicacid
Smiles: [O-][N+](=O)c1cccc(c1)n1cccc1C(=O)O

STK006991
Synonyms: N,N'- [benzene- 1,4- diyldi(E)methylylidene]bis[4- (trifluoromethoxy)aniline]
Smiles: FC(Oc1ccc(cc1)/N=C/c1ccc(cc1)/C=N/c1ccc(cc1)OC(F)(F)F)(F)F

STK006997
Synonyms: (3R)- 2,6- dimethyl- 4- oxo- 1- (phenylcarbonyl)- 1,2,3,4- tetrahydroquinolin- 3- aminium
Smiles: Cc1ccc2c(c1)C(=O)[C@@H](C(N2C(=O)c1ccccc1)C)[NH3+]

STK007003
Synonyms: 2- [benzyl(pyridin- 2- ylmethyl)amino]ethanol
Smiles: OCCN(Cc1ccccn1)Cc1ccccc1

STK007010
Synonyms: 4- methyl- 5- [(1E)- 3- oxonon- 1- en- 1- yl]- 1,3- dihydro- 2H- imidazol- 2- one
Smiles: Cc1c(/C=C/C(=O)CCCCCC)[nH]c(=O)[nH]1

STK007011
Synonyms: N- (1- methoxypropan- 2- yl)- 1- [(3- methylthiophen- 2- yl)methyl]piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1sccc1C)C

STK007025
Synonyms: (4E)- 4- [2- (4- methylphenyl)hydrazinylidene]- 3- (4- nitrophenyl)- 5- oxo- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: Cc1ccc(cc1)N/N=C/1\C(=NN(C1=O)C(=S)N)c1ccc(cc1)[N+](=O)[O-]

STK007032
Synonyms: 7- (diethylamino)- 2- oxo- N- (pyridin- 2- yl)- 2H- chromene- 3- carboxamide
Smiles: CCN(c1ccc2c(c1)oc(=O)c(c2)C(=O)Nc1ccccn1)CC

STK007084
Synonyms: 2- methyl- 6- phenyl- 8- thioxo- 8,9- dihydro- 5H,6H- [1,3,4]thiadiazolo[2',3':2,3]pyrimido[4,5- d][1,3]thiazin- 5- one
Smiles: S=C1SC(c2ccccc2)c2c(N1)n1nc(sc1nc2=O)C

STK007090
Synonyms: N- [1- (4- hydroxyphenyl)- 2- methylpropan- 2- yl]- 2- (4- phenylpiperazin- 1- yl)acetamide
Smiles: O=C(NC(Cc1ccc(cc1)O)(C)C)CN1CCN(CC1)c1ccccc1

STK007116
Synonyms: N- (2,5- dihydro- 1,3- thiazol- 2- yl)- 4- nitrobenzamide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])NC1SCC=N1

STK007117
Synonyms: (4E)- 4- [3- chloro- 5- ethoxy- 4- (3- phenoxypropoxy)benzylidene]- 1- phenylpyrazolidine- 3,5- dione
Smiles: CCOc1cc(/C=C/2\C(=O)NN(C2=O)c2ccccc2)cc(c1OCCCOc1ccccc1)Cl

STK007126
Synonyms: 2- chloro- N- {[4- (morpholin- 4- ylmethyl)phenyl]carbamothioyl}- 5- nitrobenzamide
Smiles: S=C(Nc1ccc(cc1)CN1CCOCC1)NC(=O)c1cc(ccc1Cl)[N+](=O)[O-]

STK007128
Synonyms: N- (5- chloropyridin- 2- yl)- 3- (propan- 2- yloxy)benzamide
Smiles: CC(Oc1cccc(c1)C(=O)Nc1ccc(cn1)Cl)C

STK007140
Synonyms: 1- (biphenyl- 4- yl)- 2- [4- (diethylamino)- 1,1- dioxido- 3- (phenylcarbonyl)- 2H- 1,2- benzothiazin- 2- yl]ethanone
Smiles: CCN(C1=C(C(=O)c2ccccc2)N(CC(=O)c2ccc(cc2)c2ccccc2)S(=O)(=O)c2c1cccc2)CC

STK007162
Synonyms: (5Z)- 1- (4- chlorophenyl)- 5- [(5- methyl- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Clc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2c[nH]c3c2cc(C)cc3)/C1=O

STK007175
Synonyms: ethyl(1R,2S,3R,8aS)- 6- acetyl- 3- carbamoyl- 1- cyano- 2- (2- fluorophenyl)- 1,2,3,8a- tetrahydroindolizine- 1- carboxylate
Smiles: CCOC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccccc1F)C(=O)N)C(=O)C

STK007228
Synonyms: 1H- 1,2,4- triazole- 3- carboxamide
Smiles: NC(=O)c1n[nH]cn1

STK007257
Synonyms: pyridin- 2- yl3,4- dimethoxybenzoate
Smiles: COc1cc(ccc1OC)C(=O)Oc1ccccn1

STK007287
Synonyms: 2- ({(E)- (3- methoxyphenyl)[(2- methyl- 4- oxoquinazolin- 3(4H)- yl)amino]methylidene}amino)benzoicacid
Smiles: COc1cccc(c1)/C(=N\c1ccccc1C(=O)O)/Nn1c(C)nc2c(c1=O)cccc2

STK007307
Synonyms: N- tert- butyl- 1- (pyridin- 2- ylmethyl)piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)Cc1ccccn1)NC(C)(C)C

STK007317
Synonyms: N- [5- (4- methylphenyl)- 1,3,4- thiadiazol- 2- yl]- 2- phenoxyacetamide
Smiles: O=C(Nc1nnc(s1)c1ccc(cc1)C)COc1ccccc1

STK007322
Synonyms: 4- fluoro- N- [3- ([1,3]oxazolo[4,5- b]pyridin- 2- yl)phenyl]benzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1cccc(c1)c1nc2c(o1)cccn2

STK007332
Synonyms: 3- [2- (2,5- dimethoxyphenyl)- 2- oxoethyl]- 3- hydroxy- 1- (prop- 2- yn- 1- yl)- 1,3- dihydro- 2H- indol- 2- one
Smiles: C#CCN1c2ccccc2C(C1=O)(O)CC(=O)c1cc(OC)ccc1OC

STK007346
Synonyms: N- [4- ({[(4- nitrophenyl)carbonyl]carbamothioyl}amino)phenyl]thiophene- 2- carboxamide
Smiles: S=C(NC(=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)NC(=O)c1cccs1

STK007351
Synonyms: [3- (4- tert- butylphenyl)- 11- (4- fluorophenyl)- 1- hydroxy- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl](2- chlorophenyl)methanone
Smiles: Fc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)c1ccccc1Cl)cccc2)c1ccc(cc1)C(C)(C)C

STK007362
Synonyms: N- [2- (diethylamino)ethyl]- 2- (5- fluoro- 2- methyl- 1H- indol- 3- yl)acetamide
Smiles: CCN(CCNC(=O)Cc1c(C)[nH]c2c1cc(F)cc2)CC

STK007371
Synonyms: 4- chloro- N- [(E)- (2- methyl- 1H- indol- 3- yl)methylidene]- 3- nitroaniline
Smiles: [O-][N+](=O)c1cc(/N=C/c2c(C)[nH]c3c2cccc3)ccc1Cl

STK007375
Synonyms: N- benzyl- 2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 3- oxo- 3- phenylpropanamide
Smiles: Clc1ccc(=O)n(c1)C(C(=O)c1ccccc1)C(=O)NCc1ccccc1

STK007384
Synonyms: N- [4- chloro- 2- (trifluoromethyl)phenyl]- 2- (2- nitrophenoxy)acetamide
Smiles: O=C(Nc1ccc(cc1C(F)(F)F)Cl)COc1ccccc1[N+](=O)[O-]

STK007395
Synonyms: N- ({2- chloro- 5- [5- (propan- 2- yl)- 1,3- benzoxazol- 2- yl]phenyl}carbamothioyl)furan- 2- carboxamide
Smiles: S=C(NC(=O)c1ccco1)Nc1cc(ccc1Cl)c1nc2c(o1)ccc(c2)C(C)C

STK007402
Synonyms: (6E)- 6- (3,5- dichloro- 2- methoxybenzylidene)- 5- imino- 2- methyl- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1c(cc(cc1Cl)Cl)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)C

STK007403
Synonyms: 2- {[2- (3,4- dimethoxyphenyl)- 2- oxoethyl]sulfanyl}- 3- phenyl- 2,3,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4(1H)- one
Smiles: COc1cc(ccc1OC)C(=O)CSC1Nc2sc3c(c2C(=O)N1c1ccccc1)CCCC3

STK007440
Synonyms: 4- methoxy- N'- [(1E)- 1- (2,4,6- trimethylpyridin- 3- yl)ethylidene]benzohydrazide
Smiles: COc1ccc(cc1)C(=O)N/N=C(/c1c(C)cc(nc1C)C)\C

STK007453
Synonyms: (4E)- 3- (4- nitrophenyl)- 5- oxo- 4- {2- [2- (trifluoromethyl)phenyl]hydrazinylidene}- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: NC(=S)N1N=C(/C(=N\Nc2ccccc2C(F)(F)F)/C1=O)c1ccc(cc1)[N+](=O)[O-]

STK007455
Synonyms: N- (1- methyl- 2,3- dihydro- 1H- pyrrolo[2,3- b]quinolin- 4- yl)- 3- phenylpropanamide
Smiles: O=C(Nc1c2CCN(c2nc2c1cccc2)C)CCc1ccccc1

STK007495
Synonyms: 1- [3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropanoyl]- N- [(1R)- 1- phenylethyl]piperidine- 4- carboxamide
Smiles: C[C@H](c1ccccc1)NC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1

STK007496
Synonyms: (4E)- 4- ({1- [2- (3,4- dimethylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}methylidene)- 1- phenylpyrazolidine- 3,5- dione
Smiles: O=C1NN(C(=O)/C/1=C/c1c(C)n(c2c1cccc2)CCOc1ccc(c(c1)C)C)c1ccccc1

STK007500
Synonyms: 2- (3,4- dihydroxyphenyl)- 5,7- dihydroxy- 4- oxo- 4H- chromen- 3- yl4- O- (6- deoxy- beta- D- gulopyranosyl)- beta- D- galactopyranoside
Smiles: OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O

STK007505
Synonyms: 1- [2- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- 3- phenylpropanoyl]piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)C(=O)C(N1C(=O)c2c(C1=O)cccc2)Cc1ccccc1

STK007513
Synonyms: N- [7- (phenylcarbonyl)- 2,3- dihydro- 1,4- benzodioxin- 6- yl]propanamide
Smiles: CCC(=O)Nc1cc2OCCOc2cc1C(=O)c1ccccc1

STK007526
Synonyms: ethyl{(4Z)- 2- imino- 4- [(4- methoxyphenyl)imino]- 3- thia- 1- azaspiro[4.5]dec- 1- yl}acetate
Smiles: CCOC(=O)CN1C(=N)S/C(=N\c2ccc(cc2)OC)/C21CCCCC2

STK007551
Synonyms: (5,6,7,8- tetrahydronaphthalen- 2- yloxy)aceticacid
Smiles: OC(=O)COc1ccc2c(c1)CCCC2

STK007554
Synonyms: N- [3- (5,6- dimethyl- 1,3- benzoxazol- 2- yl)phenyl]- 3- methyl- 4- nitrobenzamide
Smiles: O=C(c1ccc(c(c1)C)[N+](=O)[O-])Nc1cccc(c1)c1oc2c(n1)cc(c(c2)C)C

STK007558
Synonyms: 1- (2- hydroxy- 5- nitrophenyl)- 4- (2- methyl- 4- oxopentan- 2- yl)- 1H- tetrazol- 4- ium
Smiles: CC(=O)CC([n+]1nnn(c1)c1cc(ccc1O)[N+](=O)[O-])(C)C

STK007559
Synonyms: N- methyl- 4- nitrobenzamide- 4- (iminomethyl)benzene- 1,3- diol(1:1)
Smiles: CNC(=O)c1ccc(cc1)[N+](=O)[O-].N=Cc1ccc(cc1O)O

STK007560
Synonyms: 8- chloro- 2,3- dihydroquinolin- 4(1H)- one
Smiles: O=C1CCNc2c1cccc2Cl

STK007564
Synonyms: (2E)- 2- cyano- 3- {4- [2- (3- methoxyphenoxy)ethoxy]phenyl}- N- (2- methylphenyl)prop- 2- enamide
Smiles: N#C/C(=C\c1ccc(cc1)OCCOc1cccc(c1)OC)/C(=O)Nc1ccccc1C

STK007567
Synonyms: 4- {(E)- [4- (ethyl{2- [(methylsulfonyl)amino]ethyl}amino)- 2- methylphenyl]diazenyl}benzenesulfonate
Smiles: CCN(c1ccc(c(c1)C)/N=N/c1ccc(cc1)S(=O)(=O)[O-])CCNS(=O)(=O)C

STK007569
Synonyms: 2- (4- {(Z)- [(2Z)- 3- benzyl- 4- oxo- 2- (phenylimino)- 1,3- thiazolidin- 5- ylidene]methyl}phenoxy)acetamide
Smiles: NC(=O)COc1ccc(cc1)/C=C/1\S/C(=N\c2ccccc2)/N(C1=O)Cc1ccccc1

STK007578
Synonyms: [5- (3- chlorophenyl)furan- 2- yl][4- (4- nitrophenyl)piperazin- 1- yl]methanone
Smiles: Clc1cccc(c1)c1ccc(o1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

STK007597
Synonyms: (5Z)- 3- benzyl- 5- (2- chloro- 5- nitrobenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2cc(ccc2Cl)[N+](=O)[O-])/C(=O)N1Cc1ccccc1

STK007599
Synonyms: 2- amino- 4- (4- chlorophenyl)- 3- ethynyl- 4H- chromen- 7- ol
Smiles: C#CC1=C(N)Oc2c(C1c1ccc(cc1)Cl)ccc(c2)O

STK007607
Synonyms: 2,6- dimethoxy- N- (4- methyl- 2- nitrophenyl)benzamide
Smiles: COc1cccc(c1C(=O)Nc1ccc(cc1[N+](=O)[O-])C)OC

STK007615
Synonyms: N- (2,4- dimethylphenyl)- 2- [(1- ethyl- 1H- benzimidazol- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2C)C)nc2c1cccc2

STK007634
Synonyms: (2Z,5Z)- 5- (5- chloro- 2- methoxybenzylidene)- 2- [(4- methylphenyl)imino]- 3- propyl- 1,3- thiazolidin- 4- one
Smiles: CCCN1/C(=N/c2ccc(cc2)C)/S/C(=C\c2cc(Cl)ccc2OC)/C1=O

STK007641
Synonyms: 3- hydroxy- 2- (4- methoxybenzyl)- 2,3- dihydro- 1H- isoindol- 1- one
Smiles: COc1ccc(cc1)CN1C(O)c2c(C1=O)cccc2

STK007656
Synonyms: 2- chloro- N- [(E)- 1H- indol- 3- ylmethylidene]aniline
Smiles: Clc1ccccc1/N=C/c1c[nH]c2c1cccc2

STK007701
Synonyms: 3- ethyl- 7- methyl- 2- sulfanyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCn1c(S)nc2c(c1=O)c1CCN(Cc1s2)C

STK007705
Synonyms: (6Z)- 6- {3- ethoxy- 4- [(2- methylbenzyl)oxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCc1ccccc1C)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK007706
Synonyms: 2,4- dichloro- 6- {(E)- [(2,4- dichlorophenyl)imino]methyl}phenol
Smiles: Clc1ccc(c(c1)Cl)/N=C/c1cc(Cl)cc(c1O)Cl

STK007740
Synonyms: bis{2- [(1E)- 1- {2- [(2- chlorophenyl)carbonyl]hydrazinylidene}ethyl]cyclopenta- 2,4- dien- 1- id- 1- yl}iron(2+)
Smiles: C/C(=N\NC(=O)c1ccccc1Cl)/C1=CC=C[C-]1[Fe+2][C-]1C=CC=C1/C(=N/NC(=O)c1ccccc1Cl)/C

STK007746
Synonyms: 4- [2- (1H- indol- 1- ylacetyl)hydrazinyl]- 4- oxo- N- [3- (trifluoromethyl)phenyl]butanamide
Smiles: O=C(CCC(=O)Nc1cccc(c1)C(F)(F)F)NNC(=O)Cn1ccc2c1cccc2

STK007765
Synonyms: N'- [(2E)- 4- (morpholin- 4- yl)- 4- oxobut- 2- enoyl]tricyclo[3.3.1.1~3,7~]decane- 1- carbohydrazide
Smiles: O=C(NNC(=O)C12CC3CC(C2)CC(C1)C3)/C=C/C(=O)N1CCOCC1

STK007790
Synonyms: 2,2- bis(3,5- di- tert- butyl- 4- hydroxybenzyl)- N- (2- phenylethyl)hydrazinecarbothioamide
Smiles: S=C(NN(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)NCCc1ccccc1

STK007792
Synonyms: 1- (piperidin- 1- yl)propan- 2- yl3- bromobenzoate
Smiles: CC(OC(=O)c1cccc(c1)Br)CN1CCCCC1

STK007816
Synonyms: 2- ethyl- 3,5- dimethyl- 1H- indole
Smiles: CCc1[nH]c2c(c1C)cc(cc2)C

STK007827
Synonyms: 4- benzyl- 1- cyclohexylpiperidine
Smiles: C1CCC(CC1)N1CCC(CC1)Cc1ccccc1

STK007839
Synonyms: 2,4- dibromo- 6- [(E)- (hydroxyimino)methyl]phenol
Smiles: O/N=C/c1cc(Br)cc(c1O)Br

STK007892
Synonyms: 2- [(1- phenylethyl)carbamoyl]phenylacetate
Smiles: CC(=O)Oc1ccccc1C(=O)NC(c1ccccc1)C

STK007893
Synonyms: pyridin- 2- yl4- ethoxybenzoate
Smiles: CCOc1ccc(cc1)C(=O)Oc1ccccn1

STK007898
Synonyms: (4Z)- 4- [2- (1,3- benzothiazol- 2- yl)hydrazinylidene]- 5- methyl- 2- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Cc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2nc3c(s2)cccc3)/C1=O)C

STK007903
Synonyms: N- [3- (dimethylamino)- 2,2- dimethylpropyl]- 1- (4- methylbenzyl)piperidine- 4- carboxamide
Smiles: CN(CC(CNC(=O)C1CCN(CC1)Cc1ccc(cc1)C)(C)C)C

STK007931
Synonyms: (6Z)- 6- {3- bromo- 4- [(2,6- dichlorobenzyl)oxy]- 5- ethoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCc1c(Cl)cccc1Cl)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK007934
Synonyms: 4- (ethylamino)- 2- {4- [(5- methylhexyl)oxy]phenyl}- 4- oxobutanoicacid
Smiles: CCNC(=O)CC(c1ccc(cc1)OCCCCC(C)C)C(=O)O

STK007937
Synonyms: N- {[(E)- amino(1,3- benzothiazol- 2- ylamino)methylidene]carbamoyl}- 4- methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)NC(=O)/N=C(/Nc1nc2c(s1)cccc2)\N

STK007980
Synonyms: N- {5- [(4- ethylphenoxy)methyl]- 1,3,4- thiadiazol- 2- yl}furan- 2- carboxamide
Smiles: CCc1ccc(cc1)OCc1nnc(s1)NC(=O)c1ccco1

STK007983
Synonyms: 3- {[2- (2,4- dichlorophenyl)- 2- hydroxyethyl]sulfanyl}- 1- ethyl- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: N#Cc1c(SCC(c2ccc(cc2Cl)Cl)O)nc(c2c1CCCC2)CC

STK008014
Synonyms: N- {4- [(2- bromo- 4- nitrophenyl)sulfamoyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1Br)[N+](=O)[O-]

STK008031
Synonyms: 2- [5- (3- bromophenyl)furan- 2- yl]- 2,3,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4(1H)- one
Smiles: Brc1cccc(c1)c1ccc(o1)C1NC(=O)c2c(N1)sc1c2CCCC1

STK008043
Synonyms: 5- (hydroxymethyl)- 6- methyl- 2- (piperidin- 1- yl)pyrimidin- 4- ol
Smiles: OCc1c(C)nc(nc1O)N1CCCCC1

STK008085
Synonyms: ethyl3- [6- (acetyloxy)- 4,5- dihydropyridazin- 3- yl]propanoate
Smiles: CCOC(=O)CCC1=NN=C(CC1)OC(=O)C

STK008093
Synonyms: 4- methyl- N- (1,3- thiazol- 2- yl)benzenecarboximidicacid
Smiles: Cc1ccc(cc1)/C(=N\c1nccs1)/O

STK008121
Synonyms: ethyl(2E)- cyano{2- [4- (1,3- thiazol- 2- ylsulfamoyl)phenyl]hydrazinylidene}ethanoate
Smiles: CCOC(=O)/C(=N/Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)/C#N

STK008126
Synonyms: 3- chloro- 4- methyl- N- [(2- methyl- 1,3- dioxo- 2,3,3a,7a- tetrahydro- 1H- isoindol- 5- yl)carbamothioyl]benzamide
Smiles: S=C(NC(=O)c1ccc(c(c1)Cl)C)NC1=CC2C(C=C1)C(=O)N(C2=O)C

STK008217
Synonyms: 3- {5- (thiophen- 2- yl)- 1- [3- (trifluoromethyl)phenyl]- 1H- pyrrol- 2- yl}propanoicacid
Smiles: OC(=O)CCc1ccc(n1c1cccc(c1)C(F)(F)F)c1cccs1

STK008253
Synonyms: N- (tetrahydrofuran- 2- ylmethyl)pyridine- 4- carboxamide
Smiles: O=C(c1ccncc1)NCC1CCCO1

STK008258
Synonyms: N- (2,6- dimethylquinolin- 5- yl)- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1c(C)ccc2c1ccc(n2)C

STK008283
Synonyms: 2- (dimethylamino)- 6,7- dihydro- 5H- cyclopenta[b]pyridin- 4- aminium3- carboxy- 2- (carboxymethyl)- 2- hydroxypropanoate
Smiles: CN(c1nc2CCCc2c(c1)[NH3+])C.OC(=O)CC(C(=O)[O-])(CC(=O)O)O

STK008294
Synonyms: 2- [(6- amino- 9H- purin- 8- yl)sulfanyl]- N- (2,4- dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nc2c([nH]1)ncnc2N

STK008295
Synonyms: 2- (benzylsulfanyl)- 1- (4- bromophenyl)ethanone
Smiles: Brc1ccc(cc1)C(=O)CSCc1ccccc1

STK008301
Synonyms: (2E)- 2- {5- chloro- 2- [3- (4- ethylphenoxy)propoxy]benzylidene}hydrazinecarboxamide
Smiles: CCc1ccc(cc1)OCCCOc1ccc(cc1/C=N/NC(=O)N)Cl

STK008303
Synonyms: 1- [(4- methylphenyl)sulfonyl]- 3- (2- methylpropyl)- 5- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 5- ol
Smiles: CC(CC1=NN(C(C1)(O)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C)C

STK008304
Synonyms: 3- (1H- benzimidazol- 1- yl)- 1- (2,5- dimethoxyphenyl)pyrrolidine- 2,5- dione
Smiles: COc1ccc(cc1N1C(=O)CC(C1=O)n1cnc2c1cccc2)OC

STK008316
Synonyms: N- (2,3- dihydro- 1H- cyclopenta[b]quinolin- 9- yl)- N~2~- propan- 2- ylglycinamide
Smiles: CC(NCC(=O)Nc1c2CCCc2nc2c1cccc2)C

STK008318
Synonyms: 1- [(2E)- 2- {4- methoxy- 3- [(4- nitro- 1H- pyrazol- 1- yl)methyl]benzylidene}hydrazinyl]- 1H- 1,2,4- triazole
Smiles: COc1ccc(cc1Cn1ncc(c1)[N+](=O)[O-])/C=N/Nn1cncn1

STK008352
Synonyms: (4Z)- 4- [2- (4- methyl- 3- nitrophenyl)hydrazinylidene]- 2- (4- nitrophenyl)- 5- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: O=C1N(N=C(/C/1=N/Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK008361
Synonyms: N- (3- cyano- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl)- 4- iodobenzamide
Smiles: N#Cc1c(NC(=O)c2ccc(cc2)I)sc2c1CCC2

STK008363
Synonyms: 4- (4- acetylphenyl)cyclohexylacetate
Smiles: CC(=O)OC1CCC(CC1)c1ccc(cc1)C(=O)C

STK008375
Synonyms: (4R)- 2,6- dimethyl- 1,2,3,4- tetrahydroquinolin- 4- ol
Smiles: CC1C[C@@H](O)c2c(N1)ccc(c2)C

STK008387
Synonyms: 2- (acetylamino)- 6- methyl- N- (4- methylphenyl)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxamide
Smiles: CC1CCc2c(C1)sc(c2C(=O)Nc1ccc(cc1)C)NC(=O)C

STK008407
Synonyms: 1,1'- [methanediylbis(2- chlorobenzene- 4,1- diyl)]bis(1H- tetrazole)
Smiles: Clc1cc(ccc1n1cnnn1)Cc1ccc(c(c1)Cl)n1cnnn1

STK008445
Synonyms: 5- (4- bromophenyl)- N- [2- (morpholin- 4- yl)phenyl]furan- 2- carboxamide
Smiles: Brc1ccc(cc1)c1ccc(o1)C(=O)Nc1ccccc1N1CCOCC1

STK008485
Synonyms: N- {4- [(4- fluorophenyl)sulfamoyl]phenyl}furan- 2- carboxamide
Smiles: Fc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccco1

STK008488
Synonyms: 2- [(2R,6S)- 2,6- bis(2- methylprop- 2- en- 1- yl)- 3,6- dihydropyridin- 1(2H)- yl]ethanol
Smiles: OCCN1[C@H](CC=C[C@@H]1CC(=C)C)CC(=C)C

STK008491
Synonyms: (2Z)- 2- (pentan- 3- ylidenehydrazinylidene)- 1,3- thiazolidin- 4- one
Smiles: CCC(=N/N=C/1\SCC(=O)N1)CC

STK008498
Synonyms: N- (2- amino- 2- oxoethyl)- N'- (4- phenylbutan- 2- yl)butanediamide
Smiles: CC(NC(=O)CCC(=O)NCC(=O)N)CCc1ccccc1

STK008503
Synonyms: N'- (4- methoxyphenyl)- N'- methyl- 2- phenylacetohydrazide
Smiles: COc1ccc(cc1)N(NC(=O)Cc1ccccc1)C

STK008532
Synonyms: 2- (2- bromo- 4- chlorophenoxy)- N'- [(E)- 1H- pyrrol- 2- ylmethylidene]acetohydrazide
Smiles: O=C(COc1ccc(cc1Br)Cl)N/N=C/c1ccc[nH]1

STK008539
Synonyms: 3- ({[5- (2- chlorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)- 8- [(heptyloxy)methyl]- 3- methyl- 2,7- dioxaspiro[4.4]nonane- 1,6- dione
Smiles: CCCCCCCOCC1OC(=O)C2(C1)CC(OC2=O)(C)C(=O)CSc1nnc([nH]1)c1ccccc1Cl

STK008549
Synonyms: 1- [2- (pyridin- 3- yl)ethyl]- 1H- indole
Smiles: c1ccc(cn1)CCn1ccc2c1cccc2

STK008568
Synonyms: (4E)- 4- [2- (2- methylphenyl)hydrazinylidene]- 3- (4- nitrophenyl)- 5- oxo- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: NC(=S)N1N=C(/C(=N\Nc2ccccc2C)/C1=O)c1ccc(cc1)[N+](=O)[O-]

STK008611
Synonyms: ethyl5- [(carbamimidoylsulfanyl)methyl]- 1- benzofuran- 2- carboxylatehydrochloride
Smiles: CCOC(=O)c1cc2c(o1)ccc(c2)CSC(=N)N.Cl

STK008618
Synonyms: 1- amino- N- benzyl- 5- (4- chlorophenyl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: Clc1ccc(cc1)c1nc2sc(c(c2c2c1CCCC2)N)C(=O)NCc1ccccc1

STK008626
Synonyms: (2Z)- 2- [3- chloro- 5- methoxy- 4- (naphthalen- 1- ylmethoxy)benzylidene][1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: COc1cc(cc(c1OCc1cccc2c1cccc2)Cl)/C=c/1\sc2n(c1=O)c1c(n2)cccc1

STK008630
Synonyms: N'- (1- methyl- 4- nitro- 1H- imidazol- 5- yl)pyridine- 3- carbohydrazide
Smiles: O=C(c1cccnc1)NNc1n(C)cnc1[N+](=O)[O-]

STK008666
Synonyms: N- [(1E)- 3- [(4- bromophenyl)amino]- 1- (4,5- dimethoxy- 2- nitrophenyl)- 3- oxoprop- 1- en- 2- yl]- 4- methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)N/C(=C/c1cc(OC)c(cc1[N+](=O)[O-])OC)/C(=O)Nc1ccc(cc1)Br

STK008691
Synonyms: N- (4- butylphenyl)- 4- [(E)- (4- butylphenyl)diazenyl]naphthalene- 2- carboxamide
Smiles: CCCCc1ccc(cc1)/N=N/c1cc(cc2c1cccc2)C(=O)Nc1ccc(cc1)CCCC

STK008694
Synonyms: 1- (4- butoxyphenyl)- 3- [(pyridin- 3- ylmethyl)amino]pyrrolidine- 2,5- dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)CC(C1=O)NCc1cccnc1

STK008699
Synonyms: methylN- [3,4- dimethyl- 5- oxo- 1- (1,2,3,4- tetrahydronaphthalen- 1- yl)- 2,5- dihydro- 1H- pyrrol- 2- yl]glycinate
Smiles: COC(=O)CNC1C(=C(C(=O)N1C1CCCc2c1cccc2)C)C

STK008747
Synonyms: 3- [2- (1,3- thiazolidin- 3- yl)ethyl]- 1H- indole
Smiles: C1SCN(C1)CCc1c[nH]c2c1cccc2

STK008763
Synonyms: 4- {[(E)- (2,4- dihydroxyphenyl)methylidene]amino}- N- (5- ethyl- 1,3,4- thiadiazol- 2- yl)benzenesulfonamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)/N=C/c1ccc(cc1O)O

STK008784
Synonyms: [(3- methoxyphenyl)amino](oxo)aceticacid
Smiles: COc1cccc(c1)NC(=O)C(=O)O

STK008796
Synonyms: (6Z)- 6- {3- bromo- 4- [(2- chlorobenzyl)oxy]- 5- ethoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCc1ccccc1Cl)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK008804
Synonyms: N- {[2- (3- bromo- 4- hydroxyphenyl)- 1,3- benzoxazol- 5- yl]carbamothioyl}- 3- methylbenzamide
Smiles: S=C(NC(=O)c1cccc(c1)C)Nc1ccc2c(c1)nc(o2)c1ccc(c(c1)Br)O

STK008827
Synonyms: 2- chloro- N- [4- chloro- 2- (phenylcarbonyl)phenyl]- 5- nitrobenzamide
Smiles: Clc1ccc(c(c1)C(=O)c1ccccc1)NC(=O)c1cc(ccc1Cl)[N+](=O)[O-]

STK008864
Synonyms: (2Z,5Z)- 5- [(2E)- 2- (3- methyl- 5- nitro- 1,3- benzothiazol- 2(3H)- ylidene)ethylidene]- 2- (4- oxo- 3- phenyl- 2- thioxo- 1,3- thiazolidin- 5- ylidene)- 3- phenyl- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=c/2\s/c(=C\C=c/3\sc4c(n3C)cc(cc4)[N+](=O)[O-])/c(=O)n2c2ccccc2)/C(=O)N1c1ccccc1

STK008867
Synonyms: 4- ({1- [(4- fluorophenyl)carbonyl]- 1,2,3,4- tetrahydroquinolin- 6- yl}amino)- 4- oxobutanoicacid
Smiles: O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccc(cc1)F)CCC(=O)O

STK008886
Synonyms: 2- methyl- N'- [(E)- (1- methyl- 1H- pyrrol- 2- yl)methylidene]furan- 3- carbohydrazide
Smiles: O=C(c1ccoc1C)N/N=C/c1cccn1C

STK008889
Synonyms: N- [2- (1- methylcyclopropyl)phenyl]acetamide
Smiles: CC(=O)Nc1ccccc1C1(C)CC1

STK008945
Synonyms: 5,5'- oxybis[2- (2- hydroxyethyl)- 1H- isoindole- 1,3(2H)- dione]
Smiles: OCCN1C(=O)c2c(C1=O)cc(cc2)Oc1ccc2c(c1)C(=O)N(C2=O)CCO

STK008953
Synonyms: 1- [2- (1- benzyl- 2- methyl- 1H- indol- 3- yl)ethyl]pyrrolidine- 2,5- dione
Smiles: O=C1CCC(=O)N1CCc1c(C)n(c2c1cccc2)Cc1ccccc1

STK008957
Synonyms: N- {[3- chloro- 4- (piperidin- 1- yl)phenyl]carbamothioyl}- 2- phenoxyacetamide
Smiles: O=C(NC(=S)Nc1ccc(c(c1)Cl)N1CCCCC1)COc1ccccc1

STK008960
Synonyms: (2E)- N- benzyl- 2- cyano- 3- {1- [2- (2,5- dimethylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}prop- 2- enamide
Smiles: N#C/C(=C\c1c(C)n(c2c1cccc2)CCOc1cc(C)ccc1C)/C(=O)NCc1ccccc1

STK008968
Synonyms: N- [(3,5- dichloro- 4- hydroxyphenyl)carbamothioyl]- 2- fluorobenzamide
Smiles: S=C(NC(=O)c1ccccc1F)Nc1cc(Cl)c(c(c1)Cl)O

STK008986
Synonyms: N- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 5- (2- nitrophenyl)furan- 2- carboxamide
Smiles: Clc1ccc(cc1)c1csc(n1)NC(=O)c1ccc(o1)c1ccccc1[N+](=O)[O-]

STK009003
Synonyms: 2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- N- [3- (diethylamino)propyl]- 3- (3- nitrophenyl)- 3- oxopropanamide
Smiles: CCN(CCCNC(=O)C(n1cc(Cl)ccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])CC

STK009006
Synonyms: 2- methyl- N- (4- oxo- 4,5- dihydro- 1,3- thiazol- 2- yl)propanamide
Smiles: CC(C(=O)NC1=NC(=O)CS1)C

STK009016
Synonyms: N- {[2- (3- chloro- 4- methylphenyl)- 2H- benzotriazol- 5- yl]carbamothioyl}- 3- methyl- 1- benzofuran- 2- carboxamide
Smiles: S=C(NC(=O)c1oc2c(c1C)cccc2)Nc1ccc2c(c1)nn(n2)c1ccc(c(c1)Cl)C

STK009019
Synonyms: N- [(2R,4S)- 6- bromo- 2- methyl- 1- (phenoxyacetyl)- 1,2,3,4- tetrahydroquinolin- 4- yl]- N- phenylacetamide
Smiles: Brc1ccc2c(c1)[C@H](C[C@H](N2C(=O)COc1ccccc1)C)N(c1ccccc1)C(=O)C

STK009023
Synonyms: N- [(5Z)- 5- (2- hydroxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- methylbenzamide
Smiles: COc1cccc(c1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)C

STK009051
Synonyms: N- [4- chloro- 2- (trifluoromethyl)phenyl]- 2- iodobenzamide
Smiles: Clc1ccc(c(c1)C(F)(F)F)NC(=O)c1ccccc1I

STK009079
Synonyms: 2,6- dinitropyridine- 3,5- diol
Smiles: Oc1cc(O)c(nc1[N+](=O)[O-])[N+](=O)[O-]

STK009097
Synonyms: (6- amino- 9H- purin- 9- yl)(5- methylfuran- 3- yl)methanone
Smiles: Cc1occ(c1)C(=O)n1cnc2c1ncnc2N

STK009101
Synonyms: N- [(E)- {3- ethoxy- 4- [2- (2- phenoxyethoxy)ethoxy]phenyl}methylidene]- 4H- 1,2,4- triazol- 4- amine
Smiles: CCOc1cc(ccc1OCCOCCOc1ccccc1)/C=N/n1cnnc1

STK009118
Synonyms: 2- [(phenylcarbamothioyl)amino]- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxamide
Smiles: S=C(Nc1sc2c(c1C(=O)N)CCCC2)Nc1ccccc1

STK009122
Synonyms: N,N- dicyclohexyl- 4- (1,3- dioxo- 1,3,3a,4,7,7a- hexahydro- 2H- 4,7- methanoisoindol- 2- yl)benzamide
Smiles: O=C1N(c2ccc(cc2)C(=O)N(C2CCCCC2)C2CCCCC2)C(=O)C2C1C1C=CC2C1

STK009135
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- N'- (tetrahydrofuran- 2- ylmethyl)butanediamide
Smiles: O=C(CCC(=O)NCC1CCCO1)NCCC1=CCCCC1

STK009145
Synonyms: (2Z)- 2- [(2,4- dimethylphenyl)imino]- 8- methoxy- N- (2- methylphenyl)- 2H- chromene- 3- carboxamide
Smiles: COc1cccc2c1o/c(=N\c1ccc(cc1C)C)/c(c2)C(=O)Nc1ccccc1C

STK009200
Synonyms: (4E)- 4- {3- ethoxy- 4- [2- (4- methylphenoxy)ethoxy]benzylidene}- 1- phenylpyrazolidine- 3,5- dione
Smiles: CCOc1cc(ccc1OCCOc1ccc(cc1)C)/C=C/1\C(=O)NN(C1=O)c1ccccc1

STK009206
Synonyms: 3- (4- methoxyphenyl)- 2- (pyridin- 4- yl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(nc2c(c1=O)cccc2)c1ccncc1

STK009228
Synonyms: N- [3- (dimethylamino)- 2,2- dimethylpropyl]- 1- (4- methoxybenzyl)piperidine- 4- carboxamide
Smiles: COc1ccc(cc1)CN1CCC(CC1)C(=O)NCC(CN(C)C)(C)C

STK009233
Synonyms: (2Z)- 6,8- dibromo- 2- [2- (4- chlorophenyl)hydrazinylidene]- N- (3- hydroxy- 4- methylphenyl)- 2H- chromene- 3- carboxamide
Smiles: Clc1ccc(cc1)N/N=c/1\oc2c(Br)cc(cc2cc1C(=O)Nc1ccc(c(c1)O)C)Br

STK009242
Synonyms: 4- (4- chlorophenoxy)- 2- methyl[1]benzofuro[3,2- d]pyrimidine
Smiles: Clc1ccc(cc1)Oc1nc(C)nc2c1oc1c2cccc1

STK009243
Synonyms: 3- (2,5- dimethoxyphenyl)- N- (3,4- dimethylphenyl)- 2- (1H- tetrazol- 5- yl)propanamide
Smiles: COc1ccc(c(c1)CC(c1[nH]nnn1)C(=O)Nc1ccc(c(c1)C)C)OC

STK009251
Synonyms: 6- (4- fluorophenyl)- 2- methyl- 8- thioxo- 5H,8H- [1,3,4]thiadiazolo[2',3':2,3]pyrimido[4,5- d][1,3]thiazin- 5- one
Smiles: Fc1ccc(cc1)c1sc(=S)nc2c1c(=O)nc1n2nc(s1)C

STK009266
Synonyms: 3,3'- {[2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d][1,2,3]triazin- 8- yl]imino}dipropan- 1- ol
Smiles: OCCCN(c1nnnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)CCCO

STK009272
Synonyms: (6Z)- 6- (3- bromobenzylidene)- 2- (2- chlorophenyl)- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Brc1cccc(c1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccccc1Cl

STK009280
Synonyms: 4- [(E)- (3- bromophenyl)diazenyl]- 2- [(E)- {[3- (trifluoromethyl)phenyl]imino}methyl]phenol
Smiles: Brc1cccc(c1)/N=N/c1ccc(c(c1)/C=N/c1cccc(c1)C(F)(F)F)O

STK009286
Synonyms: 5- ethyl- 5- methyl- 3- phenyl- 5,6- dihydro[1,2,4]triazolo[3,4- a]isoquinoline
Smiles: CCC1(C)Cc2ccccc2c2n1c(nn2)c1ccccc1

STK009291
Synonyms: 2- (3,4- dichlorophenyl)- 2,3- dihydro- 1H- perimidine
Smiles: Clc1ccc(cc1Cl)C1Nc2cccc3c2c(N1)ccc3

STK009314
Synonyms: 4- butoxy- N- (5- chloro- 2- methylphenyl)benzamide
Smiles: CCCCOc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C

STK009318
Synonyms: 5- (4- ethoxyphenyl)- 6- (furan- 2- yl)- 1- phenyl- 1,5- dihydro- 4H- pyrazolo[3,4- d]pyrimidin- 4- one
Smiles: CCOc1ccc(cc1)n1c(nc2c(c1=O)cnn2c1ccccc1)c1ccco1

STK009334
Synonyms: 2,5- dichloro- N- (2- methoxyphenyl)benzamide
Smiles: COc1ccccc1NC(=O)c1cc(Cl)ccc1Cl

STK009335
Synonyms: 1- (2- fluorobenzyl)- 8- [(2- hydroxypropyl)amino]- 3,7- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(CNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1F)O

STK009336
Synonyms: 4- methyl- 2- (prop- 2- en- 1- yl)- 1,2- dihydroquinolinium
Smiles: C=CCC1C=C(C)c2c([NH2+]1)cccc2

STK009348
Synonyms: (2Z)- 2- [2- (4- bromophenyl)hydrazinylidene]- N- (3- hydroxy- 4- methylphenyl)- 8- methoxy- 2H- chromene- 3- carboxamide
Smiles: COc1cccc2c1o/c(=N\Nc1ccc(cc1)Br)/c(c2)C(=O)Nc1ccc(c(c1)O)C

STK009375
Synonyms: (2Z)- 4- [(4,6- dimethylpyrimidin- 2- yl)sulfanyl]- 3- nitro- N~2~- sulfanylcyclohexa- 3,5- diene- 1,2- diimine
Smiles: S/N=C/1\C(=N)C=CC(=C1[N+](=O)[O-])Sc1nc(C)cc(n1)C

STK009381
Synonyms: ethyl4- {[1- (cyclohex- 3- en- 1- ylmethyl)piperidin- 4- yl]carbonyl}piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)CC1CCC=CC1

STK009398
Synonyms: 4- {[(Z)- [(3,4- dichlorophenyl)imino](hydroxy)methyl]amino}benzoicacid
Smiles: O/C(=N\c1ccc(c(c1)Cl)Cl)/Nc1ccc(cc1)C(=O)O

STK009418
Synonyms: N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- N'- (4- methoxybenzyl)butanediamide
Smiles: COc1ccc(cc1)CNC(=O)CCC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK009425
Synonyms: ethyl2- {[3- methyl- 2,6- dioxo- 7- (propan- 2- yl)- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]sulfanyl}butanoate
Smiles: CCOC(=O)C(Sc1nc2c(n1C(C)C)c(=O)[nH]c(=O)n2C)CC

STK009467
Synonyms: 4,6- dimethyl- N- (5- methyl- 1,3- thiazol- 2- yl)pyrimidin- 2- amine
Smiles: Cc1cnc(s1)Nc1nc(C)cc(n1)C

STK009532
Synonyms: 3- {[2- (4- chlorophenyl)ethyl]amino}- 1- phenylpyrrolidine- 2,5- dione
Smiles: Clc1ccc(cc1)CCNC1CC(=O)N(C1=O)c1ccccc1

STK009537
Synonyms: 4- methoxy- N,N- dioctylbenzamide
Smiles: CCCCCCCCN(C(=O)c1ccc(cc1)OC)CCCCCCCC

STK009541
Synonyms: 1- (bromomethyl)pyrrolidine- 2,5- dione
Smiles: BrCN1C(=O)CCC1=O

STK009543
Synonyms: potassium4- [(E)- azepan- 1- yldiazenyl]benzoate
Smiles: [O-]C(=O)c1ccc(cc1)/N=N/N1CCCCCC1.[K+]

STK009556
Synonyms: tert- butyl4,4,4- trifluoro- 3- hydroxy- 3- phenylbutanoate
Smiles: O=C(OC(C)(C)C)CC(C(F)(F)F)(c1ccccc1)O

STK009558
Synonyms: (2Z)- N- acetyl- 6- bromo- 2- [(3- ethoxyphenyl)imino]- 2H- chromene- 3- carboxamide
Smiles: CCOc1cccc(c1)/N=c/1\oc2ccc(cc2cc1C(=O)NC(=O)C)Br

STK009587
Synonyms: (2E)- 2- ({1- [2- (3,5- dimethylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)hydrazinecarboxamide
Smiles: NC(=O)N/N=C/c1cn(c2c1cccc2)CCOc1cc(C)cc(c1)C

STK009609
Synonyms: 2- fluorophenyl5- [(4- acetylphenyl)amino]- 5- oxopentanoate
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CCCC(=O)Oc1ccccc1F

STK009612
Synonyms: N- methyl- N- (pyridin- 3- ylmethyl)butan- 1- amine
Smiles: CCCCN(Cc1cccnc1)C

STK009622
Synonyms: methyl4- (2,4- dichlorophenyl)- 2- methyl- 5- oxo- 5,6,7,8- tetrahydro- 4H- chromene- 3- carboxylateammoniate
Smiles: COC(=O)C1=C(C)OC2=C(C1c1ccc(cc1Cl)Cl)C(=O)CCC2.N

STK009626
Synonyms: (4E)- 2- (4- tert- butyl- 1,3- thiazol- 2- yl)- 4- [2- (4- hydroxyphenyl)hydrazinylidene]- 5- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Oc1ccc(cc1)N/N=C/1\C(=NN(C1=O)c1scc(n1)C(C)(C)C)c1ccccc1

STK009635
Synonyms: N- [4- ({2- [(2- iodophenyl)carbonyl]hydrazinyl}carbonyl)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)C(=O)NNC(=O)c1ccccc1I

STK009643
Synonyms: 1- (4- methoxyphenyl)- 3- {5- [(3- methylphenoxy)methyl]- 1,3,4- thiadiazol- 2- yl}urea
Smiles: COc1ccc(cc1)NC(=O)Nc1nnc(s1)COc1cccc(c1)C

STK009671
Synonyms: 1- (1H- benzimidazol- 1- yl)- 4- phenoxybutan- 1- one
Smiles: O=C(n1cnc2c1cccc2)CCCOc1ccccc1

STK009690
Synonyms: N- (2- methoxyethyl)- 2- (quinoxalin- 6- yloxy)acetamide
Smiles: COCCNC(=O)COc1ccc2c(c1)nccn2

STK009691
Synonyms: N'- [(E)- {4- [3- (2,3- dimethylphenoxy)propoxy]- 3- ethoxyphenyl}methylidene]acetohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)C)ccc1OCCCOc1cccc(c1C)C

STK009694
Synonyms: N- (4- nitrophenyl)butanediamide
Smiles: O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(=O)N

STK009698
Synonyms: 3- methyl- 8- {(2E)- 2- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]hydrazinyl}- 7- (2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C/C(=C\c1ccccc1)/C=N/Nc1nc2c(n1CCc1ccccc1)c(=O)[nH]c(=O)n2C

STK009699
Synonyms: 4- ({[(4- iodophenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: S=C(NC(=O)c1ccc(cc1)I)Nc1ccc(cc1)C(=O)O

STK009708
Synonyms: 3- (4'- propoxybiphenyl- 4- yl)- 5- (4- propylcyclohexyl)- 1,2,4- oxadiazole
Smiles: CCCOc1ccc(cc1)c1ccc(cc1)c1noc(n1)C1CCC(CC1)CCC

STK009713
Synonyms: 2- {[1- (4- methoxyphenyl)- 4,5- diphenyl- 1H- imidazol- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N)nc(c1c1ccccc1)c1ccccc1

STK009729
Synonyms: N- (anthracen- 9- ylmethyl)- 1- methyl- 1H- benzimidazol- 2- amine
Smiles: Cn1c(NCc2c3ccccc3cc3c2cccc3)nc2c1cccc2

STK009748
Synonyms: 3- chloro- N- {4- [(thiophen- 2- ylcarbonyl)amino]phenyl}- 1- benzothiophene- 2- carboxamide
Smiles: O=C(c1cccs1)Nc1ccc(cc1)NC(=O)c1sc2c(c1Cl)cccc2

STK009750
Synonyms: (5Z)- 5- [(1,2- dimethyl- 1H- indol- 3- yl)methylidene]imidazolidine- 2,4- dione
Smiles: O=C1NC(=O)/C(=C/c2c(C)n(c3c2cccc3)C)/N1

STK009753
Synonyms: 1- (7,8- dinitro- 2,3- dihydro- 1,4- benzodioxin- 6- yl)ethylnitrate
Smiles: [O-][N+](=O)OC(c1cc2OCCOc2c(c1[N+](=O)[O-])[N+](=O)[O-])C

STK009762
Synonyms: methyl2- {[(3- methoxyphenoxy)acetyl]amino}benzoate
Smiles: COc1cccc(c1)OCC(=O)Nc1ccccc1C(=O)OC

STK009767
Synonyms: 1- (4- methylphenyl)- 2- [(2Z)- pyrrolidin- 2- ylideneamino]ethanonehydrochloride
Smiles: Cc1ccc(cc1)C(=O)C/N=C\1/CCCN1.Cl

STK009769
Synonyms: 1- {5- [(2- chlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 3- (3- methoxyphenyl)urea
Smiles: COc1cccc(c1)NC(=O)Nc1nnc(s1)SCc1ccccc1Cl

STK009776
Synonyms: 2,2'- {1,3,4- thiadiazole- 2,5- diylbis[sulfanediyl(1- oxopropane- 2,1- diyl)]}bis[N- (4- chlorophenyl)hydrazinecarboxamide]
Smiles: CC(C(=O)NNC(=O)Nc1ccc(cc1)Cl)Sc1nnc(s1)SC(C(=O)NNC(=O)Nc1ccc(cc1)Cl)C

STK009777
Synonyms: 2- (5- amino- 1,3,4- thiadiazol- 2- yl)- N'- [(E)- (3- chloro- 5- methoxy- 4- {2- [2- methoxy- 4- (prop- 2- en- 1- yl)phenoxy]ethoxy}phenyl)methylidene]acetohydrazide
Smiles: C=CCc1ccc(c(c1)OC)OCCOc1c(Cl)cc(cc1OC)/C=N/NC(=O)Cc1nnc(s1)N

STK009815
Synonyms: N'- [(2E)- 1,1,1- trifluoro- 4- oxo- 4- (thiophen- 2- yl)butan- 2- ylidene]- 2- (2,4,6- trimethylphenoxy)acetohydrazide
Smiles: O=C(COc1c(C)cc(cc1C)C)N/N=C(/C(F)(F)F)\CC(=O)c1cccs1

STK009855
Synonyms: N- {[2- (4- methylphenyl)- 1,3- benzoxazol- 5- yl]carbamothioyl}- 2- phenoxyacetamide
Smiles: O=C(NC(=S)Nc1ccc2c(c1)nc(o2)c1ccc(cc1)C)COc1ccccc1

STK009872
Synonyms: ethyl2- ({[(4,6- dioxo- 1,4,5,6- tetrahydropyrimidin- 2- yl)sulfanyl]acetyl}amino)- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: CCOC(=O)c1sc(nc1C)NC(=O)CSC1=NC(=O)CC(=O)N1

STK009896
Synonyms: 2- (4- cyclohexylphenoxy)- N- [(2- propyl- 2H- tetrazol- 5- yl)carbamothioyl]acetamide
Smiles: CCCn1nnc(n1)NC(=S)NC(=O)COc1ccc(cc1)C1CCCCC1

STK009911
Synonyms: ethyl4- (acetylamino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C

STK009919
Synonyms: N- ({2- [(phenylcarbonyl)amino]phenyl}carbonyl)valine
Smiles: O=C(c1ccccc1)Nc1ccccc1C(=O)NC(C(=O)O)C(C)C

STK009924
Synonyms: (3,4- difluorophenyl)boronicacid
Smiles: OB(c1ccc(c(c1)F)F)O

STK009929
Synonyms: methyl4- [(1S,2S,3aR)- 1- acetyl- 3,3- dicyano- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinolin- 2- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)[C@@H]1[C@@H](C(=O)C)N2[C@@H](C1(C#N)C#N)C=Cc1c2cccc1

STK009940
Synonyms: N- (3- cyano- 5- methyl- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)- 4- methoxybenzamide
Smiles: N#Cc1c(NC(=O)c2ccc(cc2)OC)sc2c1CC(C)CC2

STK009981
Synonyms: 1- (octahydro- 1H- isochromen- 1- yl)- N- [(E)- phenylmethylidene]methanamine
Smiles: C1CCC2C(C1)C(OCC2)C/N=C/c1ccccc1

STK009988
Synonyms: methyl2- [cyano(phenyl)methyl]butanoate
Smiles: CCC(C(c1ccccc1)C#N)C(=O)OC

STK009996
Synonyms: 2- (3,4- dimethoxyphenyl)- 7- methyl- 1,2,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4- ol
Smiles: COc1cc(ccc1OC)C1N=C(O)c2c(N1)sc1c2CCN(C1)C

STK010008
Synonyms: [4- (4- bromophenyl)- 2- (3- nitrophenyl)- 1,3- thiazol- 5- yl]aceticacid
Smiles: OC(=O)Cc1sc(nc1c1ccc(cc1)Br)c1cccc(c1)[N+](=O)[O-]

STK010037
Synonyms: 2- [(4,6- dioxo- 5- phenyl- 1,4,5,6- tetrahydropyrimidin- 2- yl)sulfanyl]- N- (5- methyl- 1,3,4- thiadiazol- 2- yl)acetamide
Smiles: O=C(Nc1nnc(s1)C)CSC1=NC(=O)C(C(=O)N1)c1ccccc1