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

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STK844445
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 4- oxo- 4H- chromen- 7- yl4- chlorobutanoate
Smiles: ClCCCC(=O)Oc1ccc2c(c1)occ(c2=O)c1nc2c(s1)cccc2

STK552003
Synonyms: N- (furan- 2- ylmethyl)- 2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- amine
Smiles: CSc1nc(NCc2ccco2)c2c(n1)sc1c2CCCC1

STK552004
Synonyms: 3- (2- methoxyphenyl)- 11- (3- methoxypropyl)- 2- methyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COCCCn1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)c1ccccc1OC

STK552005
Synonyms: (5Z)- 5- ({1- [3- (4- ethylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)- 1- (furan- 2- ylmethyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)OCCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccco1

STK844449
Synonyms: 2- {4- [4- (phenylamino)phthalazin- 1- yl]phenoxy}- 1- (piperidin- 1- yl)ethanone
Smiles: O=C(N1CCCCC1)COc1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccccc1

STK552010
Synonyms: N- carbamimidoyl- 4- ({(E)- 2- cyano- 2- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)NC(=N)N)/c1scc(n1)c1ccc(cc1)C

STK552012
Synonyms: 9- fluoro- 7- hydroxy- N- {2- [(2- hydroxyethyl)amino]ethyl}- 3- methyl- 5- oxo- 2,3- dihydro- 1H,5H- pyrido[3,2,1- ij]quinoline- 6- carboxamide
Smiles: OCCNCCNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)C(C)CC3

STK552019
Synonyms: 4- (methylsulfanyl)- 2- [(5Z)- 4- oxo- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 3- yl]butanoicacid
Smiles: CSCCC(N1C(=S)S/C(=C\c2cc(OC)c(c(c2)OC)OC)/C1=O)C(=O)O

STK552021
Synonyms: 4- (4- methoxyphenoxy)- 2- (pyridin- 2- yl)quinazoline
Smiles: COc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccn1

STK552022
Synonyms: methyl2- [(1,3- benzodioxol- 5- ylcarbamoyl)amino]benzoate
Smiles: COC(=O)c1ccccc1NC(=O)Nc1ccc2c(c1)OCO2

STK552023
Synonyms: 2- (benzylamino)- 6- (4- methoxyphenyl)pyrimidine- 4- carbonitrile
Smiles: N#Cc1nc(NCc2ccccc2)nc(c1)c1ccc(cc1)OC

STK552025
Synonyms: 5- (2- bromophenyl)- 3- (2- hydroxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Oc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccccc1Br)c1ccccc1

STK844450
Synonyms: ethyl4- {[({[5- (4- methoxyphenyl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}acetyl)amino]methyl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)CNC(=O)CSc1nnc(o1)c1ccc(cc1)OC

STK552033
Synonyms: N- (2,6- dimethylphenyl)- N~2~,N~2~- diethylglycinamide
Smiles: CCN(CC(=O)Nc1c(C)cccc1C)CC

STK552034
Synonyms: 6- (morpholin- 4- ylcarbonyl)- 3a,4,5,9b- tetrahydro- 3H- cyclopenta[c]quinoline- 4- carboxylicacid
Smiles: OC(=O)C1Nc2c(cccc2C2C1CC=C2)C(=O)N1CCOCC1

STK552039
Synonyms: 3- amino- 1,1- dimethoxy- 4- (4- methoxyphenyl)- 5,6,7,8- tetrahydrocyclopenta[b]pyrrolo[3,4- d]pyridine- 3a,8b(1H,4H)- dicarbonitrile
Smiles: COc1ccc(cc1)C1NC2=C(C3(C1(C#N)C(=NC3(OC)OC)N)C#N)CCC2

STK552043
Synonyms: 2- (4- tert- butylphenyl)- 4- oxo- 1,4- dihydroquinoline- 3- carbonitrile
Smiles: N#Cc1c([nH]c2c(c1=O)cccc2)c1ccc(cc1)C(C)(C)C

STK552048
Synonyms: (5Z)- 2- [(2- chlorophenyl)amino]- 5- (4- ethoxy- 3- methoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=NC1=O)Nc1ccccc1Cl

STK844454
Synonyms: (2Z)- [2- (4- methoxyphenyl)hydrazinylidene][4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]ethanenitrile
Smiles: COc1ccc(cc1)N/N=C(\c1scc(n1)c1ccc2c(c1)cccc2)/C#N

STK552052
Synonyms: ethyl2- ({(Z)- 2- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(cc2)Cl)/C#N)sc2c1CCCC2

STK552053
Synonyms: 3- methyl- 2- [(5Z)- 4- oxo- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 3- yl]butanoicacid
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)C(C(=O)O)C(C)C)cc(c1OC)OC

STK844455
Synonyms: 1- (4- methoxyphenoxy)- 4- methylphthalazine
Smiles: COc1ccc(cc1)Oc1nnc(c2c1cccc2)C

STK552054
Synonyms: 2- (4- benzylpiperidin- 1- yl)- N- (4- methylphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Cc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)Cc1ccccc1

STK552056
Synonyms: (2E)- 3- (4- fluorophenyl)- N- {[2- (pyridin- 3- yl)piperidin- 1- yl]carbonothioyl}prop- 2- enamide
Smiles: O=C(NC(=S)N1CCCCC1c1cccnc1)/C=C/c1ccc(cc1)F

STK552061
Synonyms: 2- ({4- amino- 6- [(4- chlorophenyl)amino]- 5- nitropyrimidin- 2- yl}amino)ethanol
Smiles: OCCNc1nc(Nc2ccc(cc2)Cl)c(c(n1)N)[N+](=O)[O-]

STK552062
Synonyms: [1- (3,4- diethoxybenzyl)- 6,7- diethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl][4- (difluoromethoxy)phenyl]methanone
Smiles: CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)C(=O)c1ccc(cc1)OC(F)F

STK552064
Synonyms: 2- chloro- 3- [1- (ethylsulfonyl)- 3- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazol- 5- yl]- 6- methylquinoline
Smiles: CCS(=O)(=O)N1N=C(CC1c1cc2cc(C)ccc2nc1Cl)c1cccs1

STK844456
Synonyms: 2- {3- [3- (2- hydroxyethyl)- 5,6- dimethyl- 4- oxo- 3,4- dihydrothieno[2,3- d]pyrimidin- 2- yl]propyl}- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: OCCn1c(CCCn2c(=O)c3cccc4c3c(c2=O)ccc4)nc2c(c1=O)c(C)c(s2)C

STK552067
Synonyms: N,6- dimethyl- 2- (morpholin- 4- yl)pyrimidin- 4- amine
Smiles: CNc1cc(C)nc(n1)N1CCOCC1

STK552070
Synonyms: 8- bromo- N- (pyridin- 2- ylmethyl)- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: Brc1ccc2c(c1)c1ncnc(c1[nH]2)NCc1ccccn1

STK844459
Synonyms: 6- ethyl- 6- methyl- 4- (4- methylphenyl)- 6,7- dihydrobenzo[h]tetrazolo[1,5- a]quinazolin- 5(4H)- one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c1n2nnn1)c1ccc(cc1)C

STK552074
Synonyms: 1- (methylsulfonyl)- 3- phenyl- 5- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazole
Smiles: CS(=O)(=O)N1N=C(CC1c1cccs1)c1ccccc1

STK552075
Synonyms: 1- phenyl- 1H- tetrazol- 5- yl(1E)- N- (3- nitrophenyl)- 2- oxopropanehydrazonothioate
Smiles: CC(=O)/C(=N\Nc1cccc(c1)[N+](=O)[O-])/Sc1nnnn1c1ccccc1

STK552076
Synonyms: 2- [(8- methyl- 5H- pyrimido[5,4- b]indol- 4- yl)amino]ethanol
Smiles: OCCNc1ncnc2c1[nH]c1c2cc(cc1)C

STK844461
Synonyms: (5Z)- 3- (4- hydroxyphenyl)- 5- (thiophen- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Oc1ccc(cc1)N1C(=S)S/C(=C\c2cccs2)/C1=O

STK552086
Synonyms: 5- cyano- N- (2- fluorophenyl)- 4- (furan- 2- yl)- 2- methyl- 6- [(2- oxo- 2- phenylethyl)sulfanyl]- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)c2ccccc2)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1F)C

STK844463
Synonyms: 1- (3- methylphenyl)- 4- [5- (trifluoromethyl)- 1,3,4- thiadiazol- 2- yl]piperazine
Smiles: Cc1cccc(c1)N1CCN(CC1)c1nnc(s1)C(F)(F)F

STK552089
Synonyms: N~2~,N~4~- bis(furan- 2- ylmethyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NCc2ccco2)nc(nc1N)NCc1ccco1

STK844464
Synonyms: (4- ethoxyphenyl)(1- hydroxy- 4,5,6,7- tetrahydro- 1H- benzimidazol- 2- yl)methanone
Smiles: CCOc1ccc(cc1)C(=O)c1nc2c(n1O)CCCC2

STK552090
Synonyms: 8- chloro- N- [3- (morpholin- 4- yl)propyl]- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)NCCCN1CCOCC1

STK552092
Synonyms: 4- (4- benzylpiperazin- 1- yl)- 2- (pyridin- 2- yl)quinazoline
Smiles: c1ccc(cc1)CN1CCN(CC1)c1nc(nc2c1cccc2)c1ccccn1

STK552093
Synonyms: methyl4- {[(1E)- 8- hydroxy- 4- oxo- 3- (pyrrolidin- 1- yl)naphthalen- 1(4H)- ylidene]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)/N=C/1\C=C(N2CCCC2)C(=O)c2c1c(O)ccc2

STK552095
Synonyms: 7,8- dibromo- 4- chloro- 3- fluoro- 1- (prop- 2- yn- 1- yloxy)[1,4]benzodioxino[2,3- c]pyridine
Smiles: C#CCOc1nc(F)c(c2c1Oc1cc(Br)c(cc1O2)Br)Cl

STK844466
Synonyms: 3- amino- 4,6- dimethyl- N- (4- methylphenyl)- 5- (prop- 2- en- 1- yl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: C=CCc1c(C)nc2c(c1C)c(N)c(s2)C(=O)Nc1ccc(cc1)C

STK844467
Synonyms: N- [3- (9H- carbazol- 9- yl)- 2- hydroxypropyl]- N- (4- methoxyphenyl)benzenesulfonamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccccc1)CC(Cn1c2ccccc2c2c1cccc2)O

STK552096
Synonyms: 7- ({2- [(2- hydroxyethyl)(methyl)amino]ethyl}amino)- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: OCCN(CCNc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK552097
Synonyms: 6- chloro- 2- (4- phenyl- 1,3- thiazol- 2- yl)- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: Clc1ccc2c3c1cccc3c(=O)n(c2=O)c1scc(n1)c1ccccc1

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

STK553736
Synonyms: 9'- bromo- 1- propyl- 2'- (pyridin- 4- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccncc1)Br

STK553739
Synonyms: (3Z)- 3- [(dimethylamino)methylidene]- 5- [(E)- 2- nitroethenyl]furan- 2(3H)- one
Smiles: CN(/C=C\1/C=C(OC1=O)/C=C/[N+](=O)[O-])C

STK553743
Synonyms: 1- benzyl- 9'- bromo- 2'- (pyridin- 4- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)Cc1ccccc1)c1ccncc1

STK553745
Synonyms: 1- [2'- (3,4- dichlorophenyl)- 1',10b'- dihydro- 1H- spiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazin]- 1- yl]ethanone
Smiles: CC(=O)N1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(c(c1)Cl)Cl

STK553746
Synonyms: methyl3- ({3- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]propanoyl}amino)- 5- fluoro- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)Cc1ccc3c(c1)OCO3)cc(cc2)F

STK553747
Synonyms: (2E)- 2- [4- (2,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 3- [(2,5- dimethylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(C)ccc1C)/c1scc(n1)c1ccc(cc1Cl)Cl

STK553755
Synonyms: (5Z)- 5- (2,5- dimethoxybenzylidene)- 2- [(2,4- dimethylphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: COc1ccc(cc1/C=C/1\SC(=NC1=O)Nc1ccc(cc1C)C)OC

STK553759
Synonyms: N- (1H- benzimidazol- 2- yl)- 1- ethyl- 4- hydroxy- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CCn1c(=O)c(C(=O)Nc2nc3c([nH]2)cccc3)c(c2c1cccc2)O

STK553760
Synonyms: 2'- (4- chlorophenyl)- 7'- methoxy- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)C(C)C)N1C2CC(=N1)c1ccc(cc1)Cl

STK553763
Synonyms: 4- nitro- N- [(5Z)- 4- oxo- 5- (pyridin- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: S=C1S/C(=C\c2ccccn2)/C(=O)N1NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK844810
Synonyms: 3- (methoxycarbonyl)- 2- methyl- 1- benzofuran- 5- ylmorpholine- 4- carboxylate
Smiles: COC(=O)c1c(C)oc2c1cc(cc2)OC(=O)N1CCOCC1

STK844812
Synonyms: 2- [(4- amino- 5,6- dimethylfuro[2,3- d]pyrimidin- 2- yl)sulfanyl]- 1- (piperidin- 1- yl)ethanone
Smiles: O=C(N1CCCCC1)CSc1nc(N)c2c(n1)oc(c2C)C

STK553779
Synonyms: 2- [(4- amino- 5,6- dimethylfuro[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (2- hydroxyethyl)acetamide
Smiles: OCCNC(=O)CSc1nc(N)c2c(n1)oc(c2C)C

STK553780
Synonyms: methyl5- fluoro- 3- {[3- (pyrrolidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCC1)cc(cc2)F

STK553781
Synonyms: 5- (2- bromophenyl)- 2- phenyl- 3- propyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCC1N(OC2C1C(=O)N(C2=O)c1ccccc1Br)c1ccccc1

STK844813
Synonyms: 2- [(4- amino- 5,6- dimethylfuro[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- [2- (3,4- dimethoxyphenyl)ethyl]acetamide
Smiles: COc1ccc(cc1OC)CCNC(=O)CSc1nc(N)c2c(n1)oc(c2C)C

STK553787
Synonyms: 5- oxo- 1- (thiophen- 2- ylmethyl)pyrrolidine- 3- carboxylicacid
Smiles: OC(=O)C1CC(=O)N(C1)Cc1cccs1

STK553788
Synonyms: 3- [hydroxy(phenyl)amino]- 1- [3- (trifluoromethyl)phenyl]pyrrolidine- 2,5- dione
Smiles: O=C1CC(C(=O)N1c1cccc(c1)C(F)(F)F)N(c1ccccc1)O

STK844814
Synonyms: 2,2- dimethyl- N- (3- methylbutyl)- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d][1,2,3]triazin- 8- amine
Smiles: CC(CCNc1nnnc2c1sc1c2c2CC(C)(C)SCc2c(n1)N1CCOCC1)C

STK553798
Synonyms: 4- {[(2E)- 2- {[(4- chlorophenyl)carbonyl]amino}- 3- (3,4- diethoxyphenyl)prop- 2- enoyl]amino}benzoicacid
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)Nc1ccc(cc1)C(=O)O)/NC(=O)c1ccc(cc1)Cl

STK553802
Synonyms: 1- [2'- (2- fluorophenyl)- 1',10b'- dihydro- 1H- spiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazin]- 1- yl]ethanone
Smiles: CC(=O)N1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccccc1F

STK553803
Synonyms: methyl3- {[(3,3- dimethylpiperidin- 1- yl)acetyl]amino}- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCCC(C1)(C)C)ccc(c2)OC

STK553810
Synonyms: 2,6- dimethoxy- 4- {(E)- [(8- methyl- 4- oxo- 4,5- dihydro- 3H- pyrimido[5,4- b]indol- 3- yl)imino]methyl}phenylacetate
Smiles: COc1cc(/C=N/n2cnc3c(c2=O)[nH]c2c3cc(cc2)C)cc(c1OC(=O)C)OC

STK553812
Synonyms: 2- bromo- N- [(5Z)- 5- (4- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: Fc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1Br

STK553818
Synonyms: ethyl1- {[(E)- ethoxymethylidene]amino}- 5,8,8- trimethyl- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxylate
Smiles: CCO/C=N/c1c(sc2c1c1CC(C)(C)OCc1c(n2)C)C(=O)OCC

STK553821
Synonyms: 3- chloro- N- [(5Z)- 5- (2,4- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)Cl

STK553831
Synonyms: 1- [5- (3- hydroxy- 3- methylbut- 1- yn- 1- yl)thiophen- 2- yl]ethanone
Smiles: CC(=O)c1ccc(s1)C#CC(O)(C)C

STK553841
Synonyms: methyl5- fluoro- 3- {[3- (4- methylpiperidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C)cc(cc2)F

STK553842
Synonyms: 1- [9'- bromo- 2'- (pyridin- 4- yl)- 1',10b'- dihydro- 1H- spiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazin]- 1- yl]ethanone
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)C(=O)C)c1ccncc1

STK553845
Synonyms: (5Z)- 5- (3- fluorobenzylidene)- 3- (3- methoxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cccc(c1)N1C(=S)S/C(=C\c2cccc(c2)F)/C1=O

STK553849
Synonyms: 3,3'- (hydroxyimino)bis[1- (4- fluorophenyl)pyrrolidine- 2,5- dione]
Smiles: ON(C1CC(=O)N(C1=O)c1ccc(cc1)F)C1CC(=O)N(C1=O)c1ccc(cc1)F

STK553852
Synonyms: N- [5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)- 2- (morpholin- 4- yl)phenyl]- 2- (4- methyl- 1- oxophthalazin- 2(1H)- yl)acetamide
Smiles: O=C(Cn1nc(C)c2c(c1=O)cccc2)Nc1cc(ccc1N1CCOCC1)c1nn(C)c(=O)c2c1cccc2

STK553859
Synonyms: (2'S,3S,3'S,10b'R)- 2'- (furan- 2- ylcarbonyl)- 3'- (phenylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccco1)C(=O)Nc1c2cccc1)cccc3)c1ccccc1

STK553864
Synonyms: 2'- (4- chlorophenyl)- 1- ethyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1)Cl

STK553868
Synonyms: 3- hydroxy- N- [(5Z)- 4- oxo- 5- (thiophen- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: Oc1cccc(c1)C(=O)NN1C(=S)S/C(=C\c2cccs2)/C1=O

STK553871
Synonyms: methyl4- [3- (2- hydroxyphenyl)- 4,6- dioxo- 2- phenylhexahydro- 5H- pyrrolo[3,4- d][1,2]oxazol- 5- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1O

STK553880
Synonyms: 7- {[3- (4- methylpiperidin- 1- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: CC1CCN(CC1)CCCNc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1ccccc1c2=O

STK553886
Synonyms: 2'- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 7'- methoxy- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1c(OC)cccc1C1N2N=C(C1)c1ccc2c(c1)OCCO2

STK553887
Synonyms: 4- [(5Z)- 5- (2,5- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzoicacid
Smiles: COc1ccc(cc1/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)C(=O)O)OC

STK553889
Synonyms: N- (4- bromo- 2- methylphenyl)- 2- {[3- (4- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)Br)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK553902
Synonyms: 3- {[2,2- dimethyl- 5- (pyrrolidin- 1- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]amino}propan- 1- ol
Smiles: OCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1

STK553916
Synonyms: 3- nitro- N- [(5Z)- 4- oxo- 5- (thiophen- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: S=C1S/C(=C\c2cccs2)/C(=O)N1NC(=O)c1cccc(c1)[N+](=O)[O-]

STK553923
Synonyms: ethyl({4- (dimethylamino)- 6- [(2- methylphenyl)amino]- 1,3,5- triazin- 2- yl}oxy)acetate
Smiles: CCOC(=O)COc1nc(nc(n1)N(C)C)Nc1ccccc1C

STK553927
Synonyms: methyl4,5- dimethyl- 2- {[3- (3- methylphenoxy)propanoyl]amino}thiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=O)CCOc2cccc(c2)C)sc(c1C)C

STK553930
Synonyms: 7'- methoxy- 2'- (4- methoxyphenyl)- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1ccc(cc1)C1=NN2C(C1)c1cccc(c1OC12CCN(CC1)C(C)C)OC

STK553938
Synonyms: methyl3- [(N- cyclohexyl- N- methylglycyl)amino]- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN(C1CCCCC1)C)cccc2

STK844826
Synonyms: (5Z)- 3- (4- methoxyphenyl)- 5- (pyridin- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1ccc(cc1)N1C(=S)S/C(=C\c2ccccn2)/C1=O

STK553949
Synonyms: 9'- bromo- 1- (propan- 2- yl)- 2'- (pyridin- 4- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)C(C)C)c1ccncc1

STK553952
Synonyms: ethyl5- chloro- 3- {(E)- [4- (4- fluorophenyl)piperazin- 1- yl]diazenyl}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1/N=N/N1CCN(CC1)c1ccc(cc1)F)cc(cc2)Cl

STK553953
Synonyms: ethyl5- methoxy- 4- ({[4- (2- methoxyphenyl)piperazin- 1- yl]acetyl}amino)- 1,2- dimethyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCN(CC1)c1ccccc1OC)c(OC)cc2)C

STK553957
Synonyms: 9'- bromo- 4- phenyl- 2'- (pyridin- 4- yl)- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCC(CC1)c1ccccc1)c1ccncc1

STK553959
Synonyms: N- {3- [(1- oxo- 1,3- dihydro- 2- benzofuran- 5- yl)amino]quinoxalin- 2- yl}benzenesulfonamide
Smiles: O=C1OCc2c1ccc(c2)Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1

STK844830
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (1H- indazol- 6- yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)[nH]nc2)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1

STK553960
Synonyms: (3aR,4S,8bS)- 2- (3- chlorophenyl)- 4- (phenylcarbonyl)hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: Clc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2CCC1)C(=O)c1ccccc1

STK553961
Synonyms: N- [(5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- hydroxybenzamide
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)O

STK553964
Synonyms: (4aR,4bS,7aR,8S)- N- (4- chlorophenyl)- 6- (4- nitrophenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 8- carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)Cl

STK553966
Synonyms: ethyl4- [(3,4- dihydroisoquinolin- 2(1H)- ylacetyl)amino]- 5- methoxy- 1,2- dimethyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCc3c(C1)cccc3)c(OC)cc2)C

STK553971
Synonyms: 2'- (3,4- dichlorophenyl)- 7'- methoxy- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCC(CC1)c1ccccc1)N1C2CC(=N1)c1ccc(c(c1)Cl)Cl

STK553972
Synonyms: 2- nitro- N- [(5Z)- 4- oxo- 5- (thiophen- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: S=C1S/C(=C\c2cccs2)/C(=O)N1NC(=O)c1ccccc1[N+](=O)[O-]

STK553974
Synonyms: 7'- methoxy- 1- propyl- 2'- (thiophen- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1c(OC)cccc1C1N2N=C(C1)c1cccs1

STK553975
Synonyms: 2- {[3- (4- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N- [2- (propan- 2- yl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(C)C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK553979
Synonyms: methyl6- methoxy- 3- {[(4- methylpiperidin- 1- yl)acetyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCC(CC1)C)ccc(c2)OC

STK844831
Synonyms: ethyl4- ({[2- hydroxy- 5- (morpholin- 4- ylsulfonyl)phenyl]carbonyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)c1cc(ccc1O)S(=O)(=O)N1CCOCC1

STK553983
Synonyms: 4- nitro- N- [(5Z)- 4- oxo- 5- (thiophen- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: S=C1S/C(=C\c2cccs2)/C(=O)N1NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK553984
Synonyms: (4aR,4bS,7aR,8S)- N,6- bis(4- chlorophenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 8- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Cl

STK553995
Synonyms: S- (4- aminophenyl)hydrogensulfurothioate
Smiles: Nc1ccc(cc1)SS(=O)(=O)O

STK553996
Synonyms: 1- [9'- bromo- 2'- (naphthalen- 1- yl)- 1',10b'- dihydro- 1H- spiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazin]- 1- yl]ethanone
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)C(=O)C)c1cccc2c1cccc2

STK553997
Synonyms: methyl3- ({[(1R,6R)- 6- benzylcyclohex- 3- en- 1- yl]carbonyl}amino)- 5- methyl- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)[C@@H]1CC=CC[C@@H]1Cc1ccccc1)cc(cc2)C

STK844833
Synonyms: 5- benzyl- 3- (4- hydroxy- 3- methoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1cc(ccc1O)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)Cc1ccccc1

STK554006
Synonyms: 2'- (biphenyl- 4- yl)- 1- ethyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1)c1ccccc1

STK844834
Synonyms: 2- [(4- amino- 5,6- dimethylfuro[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- [3- (morpholin- 4- yl)propyl]acetamide
Smiles: O=C(CSc1nc(N)c2c(n1)oc(c2C)C)NCCCN1CCOCC1

STK554011
Synonyms: methyl3- {[(4- benzylpiperidin- 1- yl)acetyl]amino}- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCC(CC1)Cc1ccccc1)ccc(c2)OC

STK554012
Synonyms: 1- (3,4- dichlorophenyl)- 3- [hydroxy(phenyl)amino]pyrrolidine- 2,5- dione
Smiles: O=C1CC(C(=O)N1c1ccc(c(c1)Cl)Cl)N(c1ccccc1)O

STK554013
Synonyms: (3aR,4S,8bS)- 2- (4- fluorophenyl)- 4- (phenylcarbonyl)hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccccc2)CCC1

STK554015
Synonyms: 2'- (2- methoxyphenyl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1ccccc1C1=NN2C(C1)c1ccccc1OC12CCC(CC1)c1ccccc1

STK554024
Synonyms: ethyl4- ({[4- (ethoxycarbonyl)piperidin- 1- yl]acetyl}amino)- 5- methoxy- 1,2- dimethyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CC(=O)Nc1c(OC)ccc2c1c(C(=O)OCC)c(n2C)C

STK554029
Synonyms: N- (pyridin- 2- ylmethyl)- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: c1ccc(nc1)CNc1ncnc2c1[nH]c1c2cccc1

STK554032
Synonyms: 3- [3- (dimethylamino)propyl]- 8- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CN(CCCn1cnc2c(c1=O)[nH]c1c2cc(cc1)C)C

STK554033
Synonyms: ethyl1- amino- 5- (morpholin- 4- yl)- 7,8- dihydro- 6H- cyclopenta[d]thieno[2,3- b]pyridine- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c1CCCc1c(n2)N1CCOCC1

STK844836
Synonyms: (5E)- 5- (3,4- diethoxybenzylidene)- 3- methyl- 2- phenyl- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: CCOc1cc(ccc1OCC)/C=C\1/N=C(N(C1=O)C)c1ccccc1

STK554040
Synonyms: 9'- bromo- 1- ethyl- 2'- (pyridin- 4- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccncc1)Br

STK844838
Synonyms: 2- [(4- amino- 5,6- dimethylfuro[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (3- hydroxypropyl)acetamide
Smiles: OCCCNC(=O)CSc1nc(N)c2c(n1)oc(c2C)C

STK554048
Synonyms: 9'- bromo- 1- ethyl- 2'- phenyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccccc1)Br

STK554054
Synonyms: 1,5- dihydrospiro[benzo[g]indazole- 4,1'- cyclohexan]- 3- amine
Smiles: Nc1n[nH]c2c1C1(CCCCC1)Cc1c2cccc1

STK554059
Synonyms: 6,6- dimethyl- 2,4- bis(methylsulfanyl)- 5,6,8,9- tetrahydropyrano[4',3':4,5]pyrrolo[2,3- d]pyrimidine
Smiles: CSc1nc(SC)nc2c1c1CC(C)(C)OCc1[nH]2

STK554061
Synonyms: 3- [hydroxy(phenyl)amino]- 1- (2- methylphenyl)pyrrolidine- 2,5- dione
Smiles: ON(C1CC(=O)N(C1=O)c1ccccc1C)c1ccccc1

STK554063
Synonyms: 1- (2- chlorophenyl)- 3- [hydroxy(phenyl)amino]pyrrolidine- 2,5- dione
Smiles: ON(C1CC(=O)N(C1=O)c1ccccc1Cl)c1ccccc1

STK844840
Synonyms: 2- (5- methylfuran- 2- yl)- 5- (pyridin- 4- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Cc1ccc(o1)C1=NN2C(C1)c1ccccc1OC2c1ccncc1

STK554069
Synonyms: 1- benzyl- 2'- (2,5- dimethylphenyl)- 7'- methoxy- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)Cc1ccccc1)N1C2CC(=N1)c1cc(C)ccc1C

STK554071
Synonyms: N- (benzylcarbamoyl)- L- tryptophan
Smiles: O=C(N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)NCc1ccccc1

STK554072
Synonyms: 4- {[(2E)- 3- (3,4- diethoxyphenyl)- 2- {[(2- methylphenyl)carbonyl]amino}prop- 2- enoyl]amino}benzoicacid
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)Nc1ccc(cc1)C(=O)O)/NC(=O)c1ccccc1C

STK554074
Synonyms: 2- bromo- N- [(5Z)- 4- oxo- 5- (pyridin- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: S=C1S/C(=C\c2ccccn2)/C(=O)N1NC(=O)c1ccccc1Br

STK554076
Synonyms: 2- hydroxy- N- [(5Z)- 4- oxo- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)NC(=O)c2ccccc2O)cc(c1OC)OC

STK554077
Synonyms: 1- (3- chloro- 2- methylphenyl)- 3- [hydroxy(phenyl)amino]pyrrolidine- 2,5- dione
Smiles: ON(C1CC(=O)N(C1=O)c1cccc(c1C)Cl)c1ccccc1

STK554079
Synonyms: 9'- bromo- 2'- (2- fluorophenyl)- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)C(C)C)c1ccccc1F

STK554084
Synonyms: 1- methyl- 7- {[3- (piperazin- 1- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: O=c1c2ccccc2c(=O)c2c1c1[nH]c3c(C)cccc3oc1cc2NCCCN1CCNCC1

STK554087
Synonyms: 4- ({(2E)- 3- (3,4- diethoxyphenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}amino)benzoicacid
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)Nc1ccc(cc1)C(=O)O)/NC(=O)c1ccccc1

STK554091
Synonyms: (5Z)- 5- (3- fluorobenzylidene)- 2- (phenylamino)- 1,3- thiazol- 4(5H)- one
Smiles: Fc1cccc(c1)/C=C/1\SC(=NC1=O)Nc1ccccc1

STK554094
Synonyms: 3- [hydroxy(phenyl)amino]- 1- (2- methoxyphenyl)pyrrolidine- 2,5- dione
Smiles: COc1ccccc1N1C(=O)CC(C1=O)N(c1ccccc1)O

STK844845
Synonyms: ethyl2- amino- 1- (3- sulfamoylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cccc(c1)S(=O)(=O)N

STK554105
Synonyms: 4- {(2E)- 2- [4- (dimethylamino)benzylidene]hydrazinyl}pyrimidin- 2(1H)- one
Smiles: CN(c1ccc(cc1)/C=N/Nc1cc[nH]c(=O)n1)C

STK844848
Synonyms: 3- [4- (4- bromophenyl)- 5- {[3- (trifluoromethyl)benzyl]sulfanyl}- 4H- 1,2,4- triazol- 3- yl]pyridine
Smiles: Brc1ccc(cc1)n1c(SCc2cccc(c2)C(F)(F)F)nnc1c1cccnc1

STK554108
Synonyms: 4- hydroxy- N- [(5Z)- 4- oxo- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)NC(=O)c2ccc(cc2)O)cc(c1OC)OC

STK554119
Synonyms: 2'- (3,4- dichlorophenyl)- 1- ethyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(c(c1)Cl)Cl

STK554126
Synonyms: 1- ethyl- 2'- (naphthalen- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)cccc2

STK844851
Synonyms: methyl(2E)- (6,7- dimethyl- 3,5- dioxo- 5H- [1,3]thiazolo[3,2- a]thieno[2,3- d]pyrimidin- 2(3H)- ylidene)ethanoate
Smiles: COC(=O)/C=c\1/sc2n(c1=O)c(=O)c1c(n2)sc(c1C)C

STK554142
Synonyms: 1- (biphenyl- 3- yl)- 1H- pyrrole- 2,5- dione
Smiles: O=C1C=CC(=O)N1c1cccc(c1)c1ccccc1

STK554143
Synonyms: 2- nitro- N- [(5Z)- 4- oxo- 5- (pyridin- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: S=C1S/C(=C\c2ccccn2)/C(=O)N1NC(=O)c1ccccc1[N+](=O)[O-]

STK554146
Synonyms: 3,6- dichloro- 9- [2- (prop- 2- en- 1- yloxy)ethyl]- 9H- carbazole
Smiles: C=CCOCCn1c2ccc(cc2c2c1ccc(c2)Cl)Cl

STK554149
Synonyms: 7'- methoxy- 2'- (3- methoxyphenyl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cccc(c1)C1=NN2C(C1)c1cccc(c1OC12CCC(CC1)c1ccccc1)OC

STK554154
Synonyms: methyl3- {[3- (3,3- dimethylpiperidin- 1- yl)propanoyl]amino}- 5- fluoro- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCC(C1)(C)C)cc(cc2)F

STK554157
Synonyms: 2- [(5Z)- 5- (2- hydroxybenzylidene)- 2,4- dioxo- 1,3- thiazolidin- 3- yl]propanoicacid
Smiles: OC(=O)C(N1C(=O)S/C(=C\c2ccccc2O)/C1=O)C

STK554159
Synonyms: 1- amino- 8,8- dimethyl- 5- (morpholin- 4- yl)- 8,9- dihydro- 6H- thieno[2,3- b]thiopyrano[4,3- d]pyridine- 2- carboxylicacid
Smiles: OC(=O)c1sc2c(c1N)c1CC(C)(C)SCc1c(n2)N1CCOCC1

STK554160
Synonyms: 2- hydroxy- N- [(5Z)- 4- oxo- 5- (thiophen- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: S=C1S/C(=C\c2cccs2)/C(=O)N1NC(=O)c1ccccc1O

STK554161
Synonyms: 6,8- dibromo- 7- hydroxy- 10a- (piperidin- 1- yl)- 2,3,4,5,5a,10a- hexahydro- 1H- [1]benzofuro[2,3- c]azepin- 1- one
Smiles: O=C1NCCCC2C1(Oc1c2c(Br)c(c(c1)Br)O)N1CCCCC1

STK554165
Synonyms: 9'- bromo- 2'- (4- chlorophenyl)- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccc(cc1)Cl)Br

STK554167
Synonyms: 2- {[(3- chlorophenyl)carbamoyl]amino}- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxamide
Smiles: O=C(Nc1sc2c(c1C(=O)N)CCC2)Nc1cccc(c1)Cl

STK554173
Synonyms: 1- amino- 5,8,8- trimethyl- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxylicacid
Smiles: OC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)C

STK554176
Synonyms: 4- [(5Z)- 5- (3- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzoicacid
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)C(=O)O

STK554178
Synonyms: 2- methoxy- N- [(5Z)- 4- oxo- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)NC(=O)c2ccccc2OC)cc(c1OC)OC

STK554189
Synonyms: ethyl5- chloro- 3- [(E)- (4- phenylpiperazin- 1- yl)diazenyl]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1/N=N/N1CCN(CC1)c1ccccc1)cc(cc2)Cl

STK554198
Synonyms: 2- {4- [(tetrahydrofuran- 2- ylmethyl)amino]quinazolin- 2- yl}phenol
Smiles: Oc1ccccc1c1nc(NCC2CCCO2)c2c(n1)cccc2

STK844859
Synonyms: (5Z)- 5- (3,4- diethoxybenzylidene)- 3- (4- methoxyphenyl)- 2- phenyl- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: CCOc1cc(ccc1OCC)/C=C/1\N=C(N(C1=O)c1ccc(cc1)OC)c1ccccc1

STK554201
Synonyms: (3aR,4S,8bS)- 2- (4- methylphenyl)- 4- (phenylcarbonyl)hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccccc2)CCC1

STK554206
Synonyms: methyl4- [(2Z)- 2- (3- oxo- 1- benzothiophen- 2(3H)- ylidene)- 1- propanoylhydrazinyl]benzoate
Smiles: COC(=O)c1ccc(cc1)N(C(=O)CC)/N=C/1\Sc2c(C1=O)cccc2

STK554207
Synonyms: 2'- (1,3- benzodioxol- 5- yl)- 7'- methoxy- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1c(OC)cccc1C1N2N=C(C1)c1ccc2c(c1)OCO2

STK554212
Synonyms: methyl3- ({3- [4- (ethoxycarbonyl)piperidin- 1- yl]propanoyl}amino)- 5- fluoro- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CCC(=O)Nc1c([nH]c2c1cc(F)cc2)C(=O)OC

STK554213
Synonyms: methyl6- methoxy- 3- {[(3- methylpiperidin- 1- yl)acetyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCCC(C1)C)ccc(c2)OC

STK554214
Synonyms: 2,2- dimethyl- 2'- (pyridin- 3- yl)- 1',2,3,5,6,10b'- hexahydrospiro[pyran- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CC1(C)OCCC2(C1)Oc1ccccc1C1N2N=C(C1)c1cccnc1

STK554215
Synonyms: 2'- (2,4- dichlorophenyl)- 1- ethyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1Cl)Cl

STK554226
Synonyms: 2'- (2- chlorophenyl)- 7'- methoxy- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCC(CC1)c1ccccc1)N1C2CC(=N1)c1ccccc1Cl

STK844861
Synonyms: 2- (2,8- dimethyl- 4- oxoquinolin- 1(4H)- yl)- N- methylacetamide
Smiles: CNC(=O)Cn1c(C)cc(=O)c2c1c(C)ccc2

STK554237
Synonyms: [(5Z)- 5- (2,5- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl](phenyl)aceticacid
Smiles: COc1ccc(c(c1)/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)C(=O)O)OC

STK554240
Synonyms: 1- (4- fluorophenyl)- 3- [hydroxy(phenyl)amino]pyrrolidine- 2,5- dione
Smiles: Fc1ccc(cc1)N1C(=O)CC(C1=O)N(c1ccccc1)O

STK554254
Synonyms: ethyl5- chloro- 3- [(E)- thiomorpholin- 4- yldiazenyl]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1/N=N/N1CCSCC1)cc(cc2)Cl

STK554255
Synonyms: (3aS,4R,9aS,9bR)- 2- (naphthalen- 2- yl)- 4- [(3- nitrophenyl)carbonyl]- 1,3- dioxo- 2,3,3a,4,9a,9b- hexahydro- 1H- pyrrolo[3,4- a]indolizine- 8- carbonitrile
Smiles: N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1ccc2c(c1)cccc2)C(=O)c1cccc(c1)[N+](=O)[O-]

STK554266
Synonyms: 1- (3,5- dichlorophenyl)- 3- [hydroxy(phenyl)amino]pyrrolidine- 2,5- dione
Smiles: Clc1cc(Cl)cc(c1)N1C(=O)CC(C1=O)N(c1ccccc1)O

STK844864
Synonyms: 5- (4- methoxyphenyl)- 7- (thiophen- 2- yl)- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(n2c(N1)ncn2)c1cccs1

STK554270
Synonyms: 2'- (naphthalen- 2- yl)- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)cccc2

STK554275
Synonyms: 2,2'- spirobi[[1,3,2]benzodioxaphosphole]
Smiles: c1ccc2c(c1)OP1(O2)Oc2c(O1)cccc2

STK554278
Synonyms: methyl5- chloro- 3- {[3- (4- cyclohexylpiperazin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)C1CCCCC1)cc(cc2)Cl

STK554281
Synonyms: 3- nitro- N- [(5Z)- 4- oxo- 5- (pyridin- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: S=C1S/C(=C\c2ccccn2)/C(=O)N1NC(=O)c1cccc(c1)[N+](=O)[O-]

STK554282
Synonyms: 7- (4- ethoxyphenyl)- 5- (4- methoxyphenyl)- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: CCOc1ccc(cc1)C1C=C(Nc2n1ncn2)c1ccc(cc1)OC

STK554286
Synonyms: 1- benzyl- 2'- (5- methylfuran- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Cc1ccc(o1)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)Cc1ccccc1

STK554295
Synonyms: ethyl2- {[(2- bromophenyl)carbonyl]amino}- 5,5- dimethyl- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CC(C)(C)OC2

STK554298
Synonyms: 1- (4- fluorophenyl)- 3- [hydroxy(2- methoxyphenyl)amino]pyrrolidine- 2,5- dione
Smiles: COc1ccccc1N(C1CC(=O)N(C1=O)c1ccc(cc1)F)O

STK554311
Synonyms: 2- chloro- N- [4- (dimethylamino)- 6- methoxy- 1,3,5- triazin- 2- yl]- N- methoxybenzenesulfonamide
Smiles: COc1nc(nc(n1)N(S(=O)(=O)c1ccccc1Cl)OC)N(C)C

STK554323
Synonyms: 2'- (2- chlorophenyl)- 1- ethyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccccc1Cl

STK554327
Synonyms: methyl4- methyl- 2- [(2- methylpropanoyl)amino]- 5- phenylthiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=O)C(C)C)sc(c1C)c1ccccc1

STK554330
Synonyms: (2E)- 2- cyano- 3- [(4- fluorophenyl)amino]but- 2- enamide
Smiles: N#C/C(=C(\Nc1ccc(cc1)F)/C)/C(=O)N

STK844867
Synonyms: (5Z)- 3- (3- methoxyphenyl)- 5- (pyridin- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cccc(c1)N1C(=S)S/C(=C\c2ccccn2)/C1=O

STK554334
Synonyms: 3- (4- methoxyphenyl)- 2- [(3- methylbenzyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(SCc2cccc(c2)C)nc2c(c1=O)cccc2

STK554339
Synonyms: 1- ethyl- 7'- methoxy- 2'- (thiophen- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1c(OC)cccc1C1N2N=C(C1)c1cccs1

STK554340
Synonyms: [(5Z)- 5- (3- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl](phenyl)aceticacid
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)C(=O)O

STK844869
Synonyms: 2- [(4- amino- 5,6- dimethylfuro[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- cyclohexylacetamide
Smiles: O=C(NC1CCCCC1)CSc1nc(N)c2c(n1)oc(c2C)C

STK554341
Synonyms: 7'- methoxy- 4- phenyl- 2'- (thiophen- 2- yl)- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCC(CC1)c1ccccc1)N1C2CC(=N1)c1cccs1

STK554345
Synonyms: 9'- bromo- 4- phenyl- 2'- (pyridin- 3- yl)- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCC(CC1)c1ccccc1)c1cccnc1

STK554354
Synonyms: 9'- bromo- 1- methyl- 2'- (pyridin- 4- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccncc1)Br

STK554358
Synonyms: 1- ethyl- 2'- (pyridin- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccccn1

STK554366
Synonyms: 2- chloro- N- {(5Z)- 4- oxo- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 3- yl}benzamide
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1Cl

STK554370
Synonyms: methyl6- methoxy- 3- {[(8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl)acetyl]amino}- 1H- indole- 2- carboxylate
Smiles: COc1ccc2c(c1)[nH]c(c2NC(=O)CN1CC2CC(C1)c1n(C2)c(=O)ccc1)C(=O)OC

STK554375
Synonyms: N- [(5Z)- 5- (2,4- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 4- hydroxybenzamide
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)O

STK554379
Synonyms: 4- [(Z)- {[(1E)- 1- (hydroxyimino)- 2- methylpropan- 2- yl](oxido)- lambda~5~- azanylidene}methyl]phenol
Smiles: O/N=C/C(/[N+](=C/c1ccc(cc1)O)/[O-])(C)C

STK844873
Synonyms: 4- {(1E)- 2- (acetylamino)- 3- [(2- hydroxyethyl)amino]- 3- oxoprop- 1- en- 1- yl}phenyl4- methylbenzenesulfonate
Smiles: OCCNC(=O)/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/NC(=O)C

STK554387
Synonyms: methyl3- {[2- (4- benzylpiperazin- 1- yl)propanoyl]amino}- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)Cc1ccccc1)C)ccc(c2)OC

STK554391
Synonyms: 5- phenyl- 2,8- disulfanyl- 5H- pyrano[2,3- d:6,5- d']dipyrimidine- 4,6- diol
Smiles: Sc1nc2Oc3nc(S)nc(c3C(c2c(n1)O)c1ccccc1)O

STK554394
Synonyms: 4- {[(2E)- 2- (acetylamino)- 3- (4- {[(4- methylphenyl)sulfonyl]oxy}phenyl)prop- 2- enoyl]amino}benzoicacid
Smiles: CC(=O)N/C(=C/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/C(=O)Nc1ccc(cc1)C(=O)O

STK554397
Synonyms: (4aR,4bS,7aR,8S)- N- (4- chlorophenyl)- 6- (2- methyl- 5- nitrophenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 8- carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-])Nc1ccc(cc1)Cl

STK554403
Synonyms: (5Z)- 3- (3- hydroxyphenyl)- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 4- one
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)c2cccc(c2)O)cc(c1OC)OC

STK554404
Synonyms: 4- [(5Z)- 5- (2,3- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzoicacid
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)C(=O)O

STK554407
Synonyms: 2'- (5- methylfuran- 2- yl)- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Cc1ccc(o1)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)C(C)C

STK554409
Synonyms: 2- (5- amino- 2H- tetrazol- 2- yl)- N'- [(1E)- 1- phenylbutylidene]acetohydrazide
Smiles: CCC/C(=N\NC(=O)Cn1nnc(n1)N)/c1ccccc1

STK554411
Synonyms: S- {2- [1- (4,4- dimethyl- 2,6- dioxocyclohexyl)- 3,4- dihydroisoquinolin- 2(1H)- yl]- 2- oxoethyl}O- ethylcarbonodithioate
Smiles: CCOC(=S)SCC(=O)N1CCc2c(C1C1C(=O)CC(CC1=O)(C)C)cccc2

STK844875
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (1H- indazol- 6- yl)acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc2c(c1)[nH]nc2

STK554416
Synonyms: 1- ethyl- 2'- (5- methylfuran- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(o1)C

STK554417
Synonyms: 2'- (2- fluorophenyl)- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccccc1F

STK554418
Synonyms: 2,4- dichloro- N- [(5Z)- 4- oxo- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)NC(=O)c2ccc(cc2Cl)Cl)cc(c1OC)OC

STK554423
Synonyms: 2'- (4- chlorophenyl)- 1- ethyl- 7'- methoxy- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1c(OC)cccc1C1N2N=C(C1)c1ccc(cc1)Cl

STK554426
Synonyms: (3a'R,8b'S)- 2'- (4- nitrophenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indene- 2,4'- pyrrolo[3,4- a]pyrrolizine]- 1,1',3,3'(2'H)- tetrone
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1C1CCCN1[C@@]12C(=O)c2c(C1=O)cccc2

STK554430
Synonyms: 4- [(2E)- 2- (quinolin- 2- ylmethylidene)hydrazinyl]pyrimidin- 2(1H)- one
Smiles: O=c1[nH]ccc(n1)N/N=C/c1ccc2c(n1)cccc2

STK554434
Synonyms: 4- (1- ethyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazin]- 2'- yl)- 2- methoxyphenol
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(c(c1)OC)O

STK554436
Synonyms: 2'- (2- fluorophenyl)- 1- methyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccccc1F

STK554443
Synonyms: 4- (4- methylpyridinium- 1- yl)- 2- oxo- 5- {(E)- [2- (pyridin- 4- ylcarbonyl)hydrazinylidene]methyl}- 1,3- thiazol- 3- ide
Smiles: Cc1cc[n+](cc1)c1[n-]c(=O)sc1/C=N/NC(=O)c1ccncc1

STK554450
Synonyms: 4- {[(2E)- 3- (3,4- diethoxyphenyl)- 2- {[(4- methoxyphenyl)carbonyl]amino}prop- 2- enoyl]amino}benzoicacid
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)Nc1ccc(cc1)C(=O)O)/NC(=O)c1ccc(cc1)OC

STK554451
Synonyms: 7- {[3- (piperazin- 1- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: O=c1c2ccccc2c(=O)c2c1c1[nH]c3ccccc3oc1cc2NCCCN1CCNCC1

STK554463
Synonyms: 3- (furan- 2- ylmethyl)- 2- {[2- (4- methylphenyl)- 2- oxoethyl]sulfanyl}- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Cc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK554465
Synonyms: 9'- bromo- 2'- (2- fluorophenyl)- 1- methyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccccc1F)Br

STK554466
Synonyms: 3- {[(2E)- 2- (acetylamino)- 3- (4- {[(4- methylphenyl)sulfonyl]oxy}phenyl)prop- 2- enoyl]amino}benzoicacid
Smiles: CC(=O)N/C(=C/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/C(=O)Nc1cccc(c1)C(=O)O

STK554468
Synonyms: N- (2- {[2- (3,4- dimethoxyphenyl)ethyl]amino}- 1,1,1,3,3,3- hexafluoropropan- 2- yl)furan- 2- carboxamide
Smiles: COc1cc(CCNC(C(F)(F)F)(C(F)(F)F)NC(=O)c2ccco2)ccc1OC

STK554471
Synonyms: 7'- methoxy- 1- methyl- 2'- (thiophen- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)C)N1C2CC(=N1)c1cccs1

STK844878
Synonyms: 8,9- bis(4- methoxyphenyl)- 2- (pyridin- 3- yl)furo[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1ccc(cc1)c1c(oc2c1c1nc(nn1cn2)c1cccnc1)c1ccc(cc1)OC

STK554477
Synonyms: 1- ethyl- 2'- (furan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccco1

STK554478
Synonyms: ethyl4- ({[4- (ethoxycarbonyl)piperazin- 1- yl]acetyl}amino)- 5- methoxy- 1,2- dimethyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)CC(=O)Nc1c(OC)ccc2c1c(C(=O)OCC)c(n2C)C

STK554479
Synonyms: 4- hydroxy- N- {(5Z)- 5- [4- (octyloxy)benzylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}benzamide
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)O

STK554480
Synonyms: 2- methoxy- 4- (1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazin]- 2'- yl)phenol
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(c(c1)OC)O

STK554483
Synonyms: 2'- (1,3- benzodioxol- 5- yl)- 7'- methoxy- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCC(CC1)c1ccccc1)N1C2CC(=N1)c1ccc2c(c1)OCO2

STK554484
Synonyms: 1- methyl- 2'- (4- methylphenyl)- 3',10b'- dihydrospiro[indole- 3,5'- pyrazolo[1,5- c][1,3]benzoxazin]- 2(1H)- one
Smiles: Cc1ccc(cc1)C1=CC2N(N1)C1(Oc3c2cccc3)C(=O)N(c2c1cccc2)C

STL036496
Synonyms: 3- ethyl- 5,5a- dihydro- 3H- pyrazolo[3',4':5,6]pyrimido[2,1- a]isoindole- 4,10- dione
Smiles: CCn1ncc2c1C(=O)NC1N2C(=O)c2c1cccc2

STK554486
Synonyms: 2'- (2- fluorophenyl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Fc1ccccc1C1=NN2C(C1)c1ccccc1OC12CCC(CC1)c1ccccc1

STK554505
Synonyms: 1- ethyl- 2'- (2- fluorophenyl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccccc1F

STK554506
Synonyms: 5- {[4- (4- fluorophenyl)piperazin- 1- yl]carbonyl}- 2H- pyran- 2- one
Smiles: Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(=O)oc1

STK554513
Synonyms: 1- ethyl- 2'- (2- methoxyphenyl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccccc1OC

STK554515
Synonyms: methyl3- ({[(1R,6R)- 6- benzylcyclohex- 3- en- 1- yl]carbonyl}amino)- 5- bromo- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)[C@@H]1CC=CC[C@@H]1Cc1ccccc1)cc(cc2)Br

STK554519
Synonyms: (5- hydroxy- 3- methyl- 5- phenyl- 4,5- dihydro- 1H- pyrazol- 1- yl)(4- nitrophenyl)methanone
Smiles: O=C(N1N=C(CC1(O)c1ccccc1)C)c1ccc(cc1)[N+](=O)[O-]

STK844884
Synonyms: (5Z)- 3- (3- hydroxyphenyl)- 5- (pyridin- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Oc1cccc(c1)N1C(=S)S/C(=C\c2ccccn2)/C1=O

STK554524
Synonyms: 4- acetyl- 1- (4- fluorophenyl)- 3- hydroxy- 5- (2- methylphenyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Fc1ccc(cc1)N1C(=O)C(=C(C1c1ccccc1C)C(=O)C)O

STK844885
Synonyms: ethyl5- hydroxy- 2- phenyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c([nH]c2c1cc(O)cc2)c1ccccc1

STK554531
Synonyms: 2'- (2,5- dimethylphenyl)- 1- ethyl- 7'- methoxy- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1c(OC)cccc1C1N2N=C(C1)c1cc(C)ccc1C

STK554534
Synonyms: 4- bromo- N- [(5Z)- 4- oxo- 5- (pyridin- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: Brc1ccc(cc1)C(=O)NN1C(=S)S/C(=C\c2ccccn2)/C1=O

STK554535
Synonyms: 4- [hydroxy(diphenyl)methyl]piperidine- 1- carbothioamide
Smiles: NC(=S)N1CCC(CC1)C(c1ccccc1)(c1ccccc1)O

STK554537
Synonyms: 4- methyl- N- {4- [methyl(propyl)amino]- 6- (propan- 2- ylamino)- 1,3,5- triazin- 2- yl}- N- (4H- 1,2,4- triazol- 4- yl)benzenesulfonamide
Smiles: CCCN(c1nc(NC(C)C)nc(n1)N(S(=O)(=O)c1ccc(cc1)C)n1cnnc1)C

STK554540
Synonyms: 9'- bromo- 1- ethyl- 2'- (2- methoxyphenyl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccccc1OC)Br

STK554545
Synonyms: {[4- (tert- butylamino)- 6- (propan- 2- ylamino)- 1,3,5- triazin- 2- yl]oxy}acetonitrile
Smiles: N#CCOc1nc(NC(C)C)nc(n1)NC(C)(C)C

STK844887
Synonyms: 4- [(4- amino- 5,6- dimethylthieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (4- sulfamoylphenyl)butanamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CCCSc1nc(N)c2c(n1)sc(c2C)C

STK554548
Synonyms: 1- {2'- [3- (difluoromethoxy)phenyl]- 1',10b'- dihydro- 1H- spiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazin]- 1- yl}ethanone
Smiles: FC(Oc1cccc(c1)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)C(=O)C)F

STK554549
Synonyms: 4- hydroxy- N- [(5Z)- 5- (1H- indol- 3- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: Oc1ccc(cc1)C(=O)NN1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O

STK554553
Synonyms: 2'- (1,3- benzodioxol- 5- yl)- 1- ethyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)OCO2

STK554557
Synonyms: 7'- methoxy- 2'- (4- methoxyphenyl)- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1c(OC)cccc1C1N2N=C(C1)c1ccc(cc1)OC

STK554565
Synonyms: N- (1,3- dioxolan- 2- ylmethyl)- 8- fluoro- N- methyl- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: Fc1ccc2c(c1)c1ncnc(c1[nH]2)N(CC1OCCO1)C

STK554566
Synonyms: 1- (4- bromophenyl)- 3- [hydroxy(2- methoxyphenyl)amino]pyrrolidine- 2,5- dione
Smiles: COc1ccccc1N(C1CC(=O)N(C1=O)c1ccc(cc1)Br)O

STK554568
Synonyms: 9'- bromo- 1- ethyl- 2'- (thiophen- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1cccs1)Br

STK554570
Synonyms: 2- chloro- N- [(5Z)- 4- oxo- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)NC(=O)c2ccccc2Cl)cc(c1OC)OC

STK554573
Synonyms: ethyl4- (3- {[(4- bromophenyl)sulfonyl]amino}- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C1=C(NS(=O)(=O)c2ccc(cc2)Br)C(=O)c2c(C1=O)cccc2

STK554577
Synonyms: 9'- bromo- 2'- (4- chlorophenyl)- 1- ethyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccc(cc1)Cl)Br

STK554583
Synonyms: 1- ethyl- 7'- methoxy- 2'- (4- methoxyphenyl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1c(OC)cccc1C1N2N=C(C1)c1ccc(cc1)OC

STK554586
Synonyms: 3,3'- (hydroxyimino)bis(1- phenylpyrrolidine- 2,5- dione)
Smiles: ON(C1CC(=O)N(C1=O)c1ccccc1)C1CC(=O)N(C1=O)c1ccccc1

STK554591
Synonyms: 2'- (4- bromophenyl)- 7'- methoxy- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)C(C)C)N1C2CC(=N1)c1ccc(cc1)Br

STK844890
Synonyms: 2,8- dimethyl- 1- [2- oxo- 2- (piperidin- 1- yl)ethyl]quinolin- 4(1H)- one
Smiles: O=C(N1CCCCC1)Cn1c(C)cc(=O)c2c1c(C)ccc2

STK554601
Synonyms: 3,3'- (hydroxyimino)bis[1- (4- chlorophenyl)pyrrolidine- 2,5- dione]
Smiles: ON(C1CC(=O)N(C1=O)c1ccc(cc1)Cl)C1CC(=O)N(C1=O)c1ccc(cc1)Cl

STK554610
Synonyms: [(5Z)- 5- (2,3- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl](phenyl)aceticacid
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)C(=O)O

STK554613
Synonyms: 2'- (4- chlorophenyl)- 7'- methoxy- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1c(OC)cccc1C1N2N=C(C1)c1ccc(cc1)Cl

STK554616
Synonyms: 2'- (4- chlorophenyl)- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(cc1)Cl

STK554618
Synonyms: (5Z)- 3- (4- fluorophenyl)- 5- (pyridin- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Fc1ccc(cc1)N1C(=S)S/C(=C\c2ccccn2)/C1=O

STK554627
Synonyms: 2'- (4- bromophenyl)- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC12CCC(CC1)c1ccccc1

STK554632
Synonyms: (3aR,4S,8bS)- 2- (3- fluorophenyl)- 4- (phenylcarbonyl)hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: Fc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2CCC1)C(=O)c1ccccc1

STK554644
Synonyms: ethyl[(4- oxo- 3- phenyl- 2,3,4,6- tetrahydro- 1H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSC1NC2=C(C(=O)N1c1ccccc1)C1(Cc3c2cccc3)CCCCC1

STK554650
Synonyms: (3a'R,8b'S)- 2'- (2- methyl- 4- nitrophenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indene- 2,4'- pyrrolo[3,4- a]pyrrolizine]- 1,1',3,3'(2'H)- tetrone
Smiles: Cc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N3C2CCC3)C(=O)c2c(C1=O)cccc2)[N+](=O)[O-]

STK554658
Synonyms: 2- bromo- N- [(5Z)- 5- (2,4- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1Br

STK554661
Synonyms: 4- (3,4- dimethoxyphenyl)- 6- (furan- 2- yl)- 2- oxo- 1,2- dihydropyridine- 3- carbonitrile
Smiles: COc1ccc(cc1OC)c1cc([nH]c(=O)c1C#N)c1ccco1

STK554671
Synonyms: 3- [hydroxy(2- methoxyphenyl)amino]- 1- (4- propoxyphenyl)pyrrolidine- 2,5- dione
Smiles: CCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(c1ccccc1OC)O

STK554683
Synonyms: 4- phenyl- 2'- (pyridin- 3- yl)- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: c1ccc(cc1)C1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1cccnc1

STK554686
Synonyms: 2- bromo- N- [(5Z)- 5- (1H- indol- 3- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: S=C1S/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1NC(=O)c1ccccc1Br

STK554690
Synonyms: 7- ({3- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]propyl}amino)- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: O=c1c2ccccc2c(=O)c2c1c1[nH]c3ccccc3oc1cc2NCCCN1CCN(CC1)Cc1ccc2c(c1)OCO2

STK554694
Synonyms: 4- nitro- N- [(5Z)- 4- oxo- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)NC(=O)c2ccc(cc2)[N+](=O)[O-])cc(c1OC)OC

STK554701
Synonyms: (5Z)- 2- [(2,4- dimethylphenyl)amino]- 5- (3- fluorobenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Cc1ccc(c(c1)C)NC1=NC(=O)/C(=C/c2cccc(c2)F)/S1

STK554703
Synonyms: 2'- (1,3- benzodioxol- 5- yl)- 1- ethyl- 7'- methoxy- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1c(OC)cccc1C1N2N=C(C1)c1ccc2c(c1)OCO2

STK554707
Synonyms: 2'- (3,4- dichlorophenyl)- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc(c(c1)Cl)Cl

STK554708
Synonyms: 3- nitro- N- [(5Z)- 4- oxo- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)NC(=O)c2cccc(c2)[N+](=O)[O-])cc(c1OC)OC

STK844899
Synonyms: 1- [2'- (4- methylphenyl)- 1',10b'- dihydro- 1H- spiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazin]- 1- yl]ethanone
Smiles: Cc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)C(=O)C

STK844900
Synonyms: 1- (4- acetylphenyl)- 3- [2- (1H- indol- 3- yl)ethyl]urea
Smiles: O=C(Nc1ccc(cc1)C(=O)C)NCCc1c[nH]c2c1cccc2

STK554716
Synonyms: 1- ethyl- 2'- (pyridin- 4- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccncc1

STK554721
Synonyms: (4aR,4bS,7aR,8S)- N- (4- chlorophenyl)- 6- (2- methyl- 4- nitrophenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 8- carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-])Nc1ccc(cc1)Cl

STK554725
Synonyms: (2Z)- 6- (3,4- dimethoxybenzyl)- 2- (1- methyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: COc1cc(ccc1OC)Cc1nn2c(nc1=O)s/c(=C\1/c3ccccc3N(C1=O)C)/c2=O

STK554731
Synonyms: 2- chloro- N- [(5Z)- 5- (2,4- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1Cl

STK554739
Synonyms: 1- ethyl- 2'- phenyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccccc1

STK554743
Synonyms: 1- benzyl- 2'- (4- bromophenyl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: Brc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC12CCN(CC1)Cc1ccccc1

STK554745
Synonyms: 3- (4- hydroxy- 3- methoxyphenyl)- 2,5- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1cc(ccc1O)C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1

STK554747
Synonyms: 2- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- {3- (2- methoxyphenyl)- 3- [4- (propan- 2- yloxy)phenyl]propyl}acetamide
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CCNC(=O)CN1C(=O)c2c(C1=O)cccc2

STK844902
Synonyms: 3- (2- methoxyphenyl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- ylcyclopropanecarboxylate
Smiles: COc1ccccc1c1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)C1CC1

STK554753
Synonyms: N~2~- (3,4- dimethylphenyl)- N~4~- (2- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccccc1Nc1nc(Nc2ccc(c(c2)C)C)nc(c1[N+](=O)[O-])N

STK554754
Synonyms: (6Z)- 5- imino- 6- {3- methoxy- 4- [(3- methylbenzyl)oxy]benzylidene}- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1cccc(c1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK554756
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 6- ethyl- 4- oxo- 4H- chromen- 7- yl3,4,5- trimethoxybenzoate
Smiles: CCc1cc2c(cc1OC(=O)c1cc(OC)c(c(c1)OC)OC)occ(c2=O)c1nc2c(s1)cccc2

STK844904
Synonyms: 2- bromo- N- [(2E)- 3- cyano- 1- (furan- 2- ylmethyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccccc1Br)Cc1ccco1)nc1n(c2=O)cccc1C

STK844905
Synonyms: N~4~- cyclohexyl- N~2~- (furan- 2- ylmethyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)NCc1ccco1

STK844906
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 4- oxo- 4H- chromen- 7- yl2- methylpropanoate
Smiles: O=C(C(C)C)Oc1ccc2c(c1)occ(c2=O)c1nc2c(s1)cccc2

STK554769
Synonyms: 7- (4- chlorobenzyl)- 1,3- dimethyl- 8- {[2- (piperidin- 1- yl)ethyl]sulfanyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(SCCN2CCCCC2)nc2c1c(=O)n(c(=O)n2C)C

STK554773
Synonyms: 3- (dimethylamino)- 1- phenylpropyl1- phenylcyclopentanecarboxylate
Smiles: CN(CCC(c1ccccc1)OC(=O)C1(CCCC1)c1ccccc1)C

STK844907
Synonyms: 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 6- ethyl- 7- [(4- fluorobenzyl)oxy]- 4H- chromen- 4- one
Smiles: CCc1cc2c(cc1OCc1ccc(cc1)F)occ(c2=O)c1ccc2c(c1)OCCO2

STK844908
Synonyms: 6- (4- ethoxyphenyl)- 3- (4- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nn2c(s1)nnc2c1ccc(cc1)C

STK554780
Synonyms: N~2~,N~4~- dicyclohexyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)NC1CCCCC1

STK554784
Synonyms: 2- imino- 5- oxo- 1- pentyl- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carbonitrile
Smiles: CCCCCn1c(=N)c(C#N)cc2c1nc1ccccn1c2=O

STK844910
Synonyms: 6- (2- methoxyphenyl)- 3- (4- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1nn2c(s1)nnc2c1ccc(cc1)C

STK844913
Synonyms: 2- (azepan- 1- yl)- 5- nitro- N- phenylpyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1)N1CCCCCC1

STK554791
Synonyms: 2- chloro- N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccccc2Cl)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK844915
Synonyms: 4- amino- 1- [(2- methylprop- 2- en- 1- yl)sulfanyl][1,2,4]triazolo[4,3- a]quinazolin- 5(4H)- one
Smiles: CC(=C)CSc1nnc2n1c1ccccc1c(=O)n2N

STK844916
Synonyms: N~4~- cyclohexyl- N~2~- methyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CNc1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK554800
Synonyms: 8- (ethylsulfanyl)- 2,2- dimethyl- 5- (2- methylpropyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK554801
Synonyms: N~4~- (3- chlorophenyl)- 5- nitro- N~2~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: Clc1cccc(c1)Nc1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N

STK554802
Synonyms: N~4~- cyclohexyl- N~2~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK844920
Synonyms: (2E)- 2- (1,3- benzothiazol- 2- yl)- 3- (pyridin- 3- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cccnc1)/c1nc2c(s1)cccc2

STK844921
Synonyms: N~4~- (3- fluorophenyl)- N~2~- [2- (morpholin- 4- yl)ethyl]- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Fc1cccc(c1)Nc1nc(NCCN2CCOCC2)nc(c1[N+](=O)[O-])N

STK554814
Synonyms: N- ethyl- 2- ({3- [2- (ethylamino)- 2- oxoethoxy]- 4- oxo- 3,4- dihydroquinazolin- 2- yl}sulfanyl)acetamide
Smiles: CCNC(=O)CSc1nc2ccccc2c(=O)n1OCC(=O)NCC

STK844922
Synonyms: 3- (3- chlorophenyl)- 6- (4- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nn2c(s1)nnc2c1cccc(c1)Cl

STK554815
Synonyms: methyl3- {[(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]amino}- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COc1ccc2c(c1)[nH]c(c2NC(=O)/C=C/c1ccc(c(c1)OC)OC)C(=O)OC

STK554817
Synonyms: 6- (azepan- 1- yl)- N~2~- [3- (dimethylamino)propyl]- 5- nitropyrimidine- 2,4- diamine
Smiles: CN(CCCNc1nc(N)c(c(n1)N1CCCCCC1)[N+](=O)[O-])C

STK554820
Synonyms: N- [(5- bromopyridin- 2- yl)carbamothioyl]- 5- methyl- 3- phenyl- 1,2- oxazole- 4- carboxamide
Smiles: S=C(NC(=O)c1c(C)onc1c1ccccc1)Nc1ccc(cn1)Br

STK844923
Synonyms: 3- (4- chlorophenyl)- 2- [(2- hydroxypropyl)amino]- 6- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CC(CNc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CC(CC3)C)O

STK554822
Synonyms: 7- [(2- chloro- 6- fluorobenzyl)oxy]- 3- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 6- ethyl- 2- methyl- 4H- chromen- 4- one
Smiles: CCc1cc2c(cc1OCc1c(F)cccc1Cl)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C

STK554825
Synonyms: 6- (biphenyl- 4- yl)- 3- (4- methylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Cc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1

STK844924
Synonyms: 2- (azepan- 1- yl)- N- (2,5- dimethoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccc(cc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCCC1)OC

STK554826
Synonyms: 1,11- bis(ethylsulfanyl)- 5H- spiro[benzo[h][1,2,4]triazolo[4,3- c]quinazoline- 4,1'- cyclopentane]
Smiles: CCSc1nc2c3ccccc3CC3(c2c2n1c(SCC)nn2)CCCC3

STK554827
Synonyms: 3- (4- tert- butylphenyl)- 6- cyclohexyl[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CC(c1ccc(cc1)c1nnc2n1nc(s2)C1CCCCC1)(C)C

STK554833
Synonyms: 3- cyclohexyl- 6- (2,5- dimethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2C1CCCCC1)OC

STK844925
Synonyms: N~2~- cyclohexyl- 5- nitro- N~4~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NCC2CCCO2)nc(nc1N)NC1CCCCC1

STK554835
Synonyms: 6- (2,5- dimethoxyphenyl)- 3- (2- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1ccccc1OC)OC

STK844926
Synonyms: 5- [4- (4- methoxyphenyl)piperazin- 1- yl]- 2- [(3- methylphenoxy)methyl]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1N1CCN(CC1)c1ccc(cc1)OC)COc1cccc(c1)C

STK554844
Synonyms: methyl4- ({7- [(3- chlorobenzyl)oxy]- 4- oxo- 4H- chromen- 3- yl}oxy)benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1cccc(c1)Cl

STK554846
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- (propan- 2- yl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 2,6- difluorobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1c(F)cccc1F)C(C)C)nc1n(c2=O)cccc1C

STK554852
Synonyms: 6- (4- ethylpiperazin- 1- yl)- N~2~- (2- methoxyethyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: COCCNc1nc(N2CCN(CC2)CC)c(c(n1)N)[N+](=O)[O-]

STK554856
Synonyms: 2- [4- (butylamino)quinazolin- 2- yl]- 6- methoxyphenol
Smiles: CCCCNc1nc(nc2c1cccc2)c1cccc(c1O)OC

STK554857
Synonyms: ethyl4- {[({[1- (4- methoxyphenyl)cyclopentyl]methyl}amino)(oxo)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C(=O)NCC1(CCCC1)c1ccc(cc1)OC

STK844928
Synonyms: 3- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 6- ethyl- 7- [(4- fluorobenzyl)oxy]- 4H- chromen- 4- one
Smiles: CCc1cc2c(cc1OCc1ccc(cc1)F)occ(c2=O)c1ccc2c(c1)OCCCO2

STK554860
Synonyms: {[2- (benzylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}aceticacid
Smiles: OC(=O)CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK554861
Synonyms: 5- nitro- N~2~- phenyl- 6- (piperidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)Nc1ccccc1

STK844929
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (4- hydroxy- 3- methoxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)O)/c1nc2c(o1)cccc2

STK554864
Synonyms: 2,2- dimethylpiperazine- 1,4- diol
Smiles: ON1CCN(C(C1)(C)C)O

STK554874
Synonyms: 2- (4- phenoxyquinazolin- 2- yl)phenol
Smiles: Oc1ccccc1c1nc(Oc2ccccc2)c2c(n1)cccc2

STK844930
Synonyms: 3- (2- chlorophenyl)- 7- ethoxy- 6- ethyl- 4H- chromene- 4- thione
Smiles: CCOc1cc2occ(c(=S)c2cc1CC)c1ccccc1Cl

STK554875
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 5- oxo- 1- (propan- 2- yl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]pyridine- 3- carboxamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccnc1)C(C)C)nc1n(c2=O)cccc1C

STK844935
Synonyms: (2E)- 1- (3,5- dichloro- 2- hydroxyphenyl)- 3- (2,4- dimethoxyphenyl)prop- 2- en- 1- one
Smiles: COc1ccc(c(c1)OC)/C=C/C(=O)c1cc(Cl)cc(c1O)Cl

STK844936
Synonyms: ethyl3- (3,4- dimethoxyphenyl)- 7- [(4- fluorobenzyl)oxy]- 4- oxo- 4H- chromene- 2- carboxylate
Smiles: CCOC(=O)c1oc2cc(OCc3ccc(cc3)F)ccc2c(=O)c1c1ccc(c(c1)OC)OC

STK554889
Synonyms: 6- (4- fluorophenyl)- 3- (pyridin- 4- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Fc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccncc1

STK554891
Synonyms: N~2~- cyclohexyl- N~4~- (4- ethoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(NC2CCCCC2)nc(c1[N+](=O)[O-])N

STK554892
Synonyms: 2- (3,4- dihydroquinolin- 1(2H)- yl)- 1- (8- methyl- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: Cc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1CCCc2c1cccc2

STK844938
Synonyms: 2- [(3- methylphenoxy)methyl]- 5- [(1- phenylethyl)amino]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NC(c1ccccc1)C)COc1cccc(c1)C

STK844939
Synonyms: 7- (4- chlorobenzyl)- 8- (diethylamino)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN(c1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C)CC

STK844940
Synonyms: 2- [(2- fluorophenoxy)methyl]- 5- [(1- phenylethyl)amino]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NC(c1ccccc1)C)COc1ccccc1F

STK554894
Synonyms: (3- chloroquinoxalin- 2(1H)- ylidene)propanedinitrile
Smiles: N#CC(=c1[nH]c2ccccc2nc1Cl)C#N

STK844942
Synonyms: N~2~- (2- methylpropyl)- 5- nitro- 6- (piperidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: CC(CNc1nc(N2CCCCC2)c(c(n1)N)[N+](=O)[O-])C

STK554898
Synonyms: N'- {(E)- [4- (benzyloxy)- 3- ethoxyphenyl]methylidene}- 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OCc1ccccc1

STK554900
Synonyms: N~2~- (4- chlorobenzyl)- N~4~- (2- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccccc1Nc1nc(NCc2ccc(cc2)Cl)nc(c1[N+](=O)[O-])N

STK844943
Synonyms: 3- (3- chlorophenyl)- 6- (thiophen- 2- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)c1cccs1

STK844944
Synonyms: ethyl2- [({[5- (2- amino- 4- methyl- 1,3- thiazol- 5- yl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)amino]- 4,5- dimethylthiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nnc(n2CC=C)c2sc(nc2C)N)sc(c1C)C

STK844945
Synonyms: 2- {[5- (2- amino- 4- methyl- 1,3- thiazol- 5- yl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- sulfamoylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)nnc1c1sc(nc1C)N

STK844947
Synonyms: N~2~- [3- (morpholin- 4- yl)propyl]- 5- nitro- N~4~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NCC1CCCO1)NCCCN1CCOCC1

STK554906
Synonyms: 6- (4- tert- butylphenyl)- 3- (4- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)c1ccc(cc1)C(C)(C)C

STK844948
Synonyms: 7,7- dimethyl- 2- (4- methylphenyl)- 1- (tetrahydrofuran- 2- ylmethyl)- 1,5,7,8- tetrahydro- 4H- pyrano[4,3- d]pyrimidine- 4- thione
Smiles: Cc1ccc(cc1)c1nc(=S)c2c(n1CC1CCCO1)CC(OC2)(C)C

STK554909
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- [(2E,3E)- 4- phenylbut- 3- en- 2- ylidene]acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C(/C=C/c1ccccc1)\C

STK844949
Synonyms: N~2~,N~2~- dimethyl- 5- nitro- N~4~- phenylpyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(Nc2ccccc2)nc(nc1N)N(C)C

STK554910
Synonyms: N- (3- methoxypropyl)- 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]pyrimidin- 8- amine
Smiles: COCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK554913
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- [(1E)- 1- (4- nitrophenyl)ethylidene]acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C(/c1ccc(cc1)[N+](=O)[O-])\C

STK554916
Synonyms: 2- [(3- ethyl- 7- methyl- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (2- methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2C)nc2c(c1=O)c1CCN(Cc1s2)C

STK554921
Synonyms: 3- chloro- 10- (2- hydroxy- 4,4- dimethyl- 6- oxocyclohex- 1- en- 1- yl)- 5,10- dihydrobenzo[b][1,6]naphthyridine- 4- carbonitrile
Smiles: N#Cc1c(Cl)ncc2c1Nc1ccccc1C2C1=C(O)CC(CC1=O)(C)C

STK554926
Synonyms: N- [4- chloro- 2- (phenylcarbonyl)phenyl]- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: Clc1ccc(c(c1)C(=O)c1ccccc1)NC(=O)c1ccc(=O)oc1

STK554927
Synonyms: ethyl(2Z)- 2- {[(4- methoxyphenyl)carbonyl]imino}- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2ccc(cc2)OC)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK844952
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 4- oxo- 4H- chromen- 7- ylbenzoate
Smiles: O=C(c1ccccc1)Oc1ccc2c(c1)occ(c2=O)c1nc2c(s1)cccc2

STK554933
Synonyms: 5- (4- bromophenyl)- 3- (4- chloro- 2- oxo- 3- phenyl- 2,3- dihydro- 1,3- thiazol- 5- yl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Brc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1sc(=O)n(c1Cl)c1ccccc1)c1ccccc1

STK554934
Synonyms: 5- (2- amino- 4- methyl- 1,3- thiazol- 5- yl)- 4- (prop- 2- en- 1- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1nc(sc1c1n[nH]c(=S)n1CC=C)N

STK554936
Synonyms: N~2~- (3- chlorophenyl)- N~4~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1cccc(c1)Nc1nc(Nc2cccc(c2)Cl)nc(c1[N+](=O)[O-])N

STK554941
Synonyms: 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- [4- (pyridin- 2- yl)piperazin- 1- yl]ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)c1ccccn1)c([nH]2)C

STK844955
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- oxo- 2H- chromen- 7- ylcyclopropanecarboxylate
Smiles: O=C(C1CC1)Oc1ccc2c(c1)oc(=O)c(c2)c1nc2c(s1)cccc2

STK554957
Synonyms: N- {4- amino- 6- [(4- methoxyphenyl)amino]- 5- nitropyrimidin- 2- yl}glycine
Smiles: COc1ccc(cc1)Nc1nc(NCC(=O)O)nc(c1[N+](=O)[O-])N

STK554958
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 2- oxo- 2H- chromen- 7- yl2- fluorobenzoate
Smiles: O=c1oc2cc(ccc2cc1c1nc2c(s1)cccc2)OC(=O)c1ccccc1F

STK554965
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]pyridine- 3- carboxamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccnc1)CC(C)C)nc1n(c2=O)cccc1C

STK554966
Synonyms: 4- chloro- N- [(2E)- 3- cyano- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]benzamide
Smiles: COCCCn1/c(=N/C(=O)c2ccc(cc2)Cl)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK554969
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- methyl- 3- nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC(C)C)nc1n(c2=O)cccc1C

STK554973
Synonyms: 6- (3,4- dimethoxyphenyl)- 3- (4- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccc(c(c1)OC)OC

STK554974
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3,4,5- trimethoxybenzamide
Smiles: CCCCn1/c(=N/C(=O)c2cc(OC)c(c(c2)OC)OC)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK554976
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 5- nitro- N- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NCC1CCCO1)N1CCN(CC1)Cc1ccccc1

STK554978
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 3,4- dimethylbenzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccc(c(c2)C)C)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK844959
Synonyms: N- (4- methoxyphenyl)- 2- {[5- (4- methoxyphenyl)- 8,8- dimethyl- 7,10- dihydro- 8H- pyrano[3,4- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}propanamide
Smiles: COc1ccc(cc1)NC(=O)C(Sc1nnc2n1c(nc1c2COC(C1)(C)C)c1ccc(cc1)OC)C

STK554979
Synonyms: 1- (2- chlorophenyl)- 1,2- dihydro- 5H- tetrazol- 5- one
Smiles: Clc1ccccc1n1[nH]nnc1=O

STK844960
Synonyms: 2- methoxyethyl5- {[(2- fluorophenyl)carbonyl]oxy}- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1ccccc1F

STK844961
Synonyms: 2- (azepan- 1- yl)- N- (2- methoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCCC1

STK554987
Synonyms: (4aR,4bS,7aR,8S)- 8- [(3,4- dimethoxyphenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)NC2=O

STK844962
Synonyms: (2E)- 2- (1,3- benzoxazol- 2- yl)- 3- (2- methoxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccccc1OC)/c1nc2c(o1)cccc2

STK554996
Synonyms: (2Z)- 3- [(2,3- dichlorophenyl)amino]- 2- [4- (2,4- dichlorophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1Cl)Cl)/c1scc(n1)c1ccc(cc1Cl)Cl

STK844964
Synonyms: 2,4- dichloro- 6- [5- (3,4- dimethoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 3- yl]phenol
Smiles: COc1ccc(cc1OC)C1NN=C(C1)c1cc(Cl)cc(c1O)Cl

STK555000
Synonyms: 7,8- dimethoxy- 3,5- dihydro- 4H- pyridazino[4,5- b]indol- 4- one
Smiles: COc1cc2c(cc1OC)[nH]c1c2cn[nH]c1=O

STK555003
Synonyms: 3- butyl- 2- {[2- oxo- 2- (thiophen- 2- yl)ethyl]sulfanyl}- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCCn1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK555010
Synonyms: 1,7,7- trimethyl- 4- [({[(2E)- 1,7,7- trimethylbicyclo[2.2.1]hept- 2- ylidene]amino}oxy)carbonyl]bicyclo[2.2.1]heptan- 2- one
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)O/N=C/1\CC2C(C1(C)CC2)(C)C

STK555011
Synonyms: 3- (2,4- dichlorophenyl)- 6- (phenoxymethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1ccc(c(c1)Cl)c1nnc2n1nc(s2)COc1ccccc1

STK555012
Synonyms: 2- amino- 1- (3,4- dimethoxybenzyl)- N- (tetrahydrofuran- 2- ylmethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COc1cc(ccc1OC)Cn1c2nc3ccccc3nc2c(c1N)C(=O)NCC1CCCO1

STK555013
Synonyms: N~2~- (3,4- dimethylphenyl)- N~4~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1cccc(c1)Nc1nc(Nc2ccc(c(c2)C)C)nc(c1[N+](=O)[O-])N

STK844970
Synonyms: N~2~,N~2~- diethyl- N~4~- (3- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCN(c1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-])CC

STK555030
Synonyms: 5- (piperidin- 1- ylmethyl)quinolin- 8- ol
Smiles: Oc1ccc(c2c1nccc2)CN1CCCCC1

STK555036
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]pyridine- 3- carboxamide
Smiles: CCCCn1/c(=N/C(=O)c2cccnc2)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK844971
Synonyms: 3- amino- 4- (2- chlorophenyl)- N- (1,3- thiazol- 2- yl)- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]thieno[3,2- e]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c(c1ccccc1Cl)c1c(n2)CCCCC1)Nc1nccs1

STK844972
Synonyms: 4- chloro- 2- [5- (2,4- dimethoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 3- yl]phenol
Smiles: COc1cc(OC)ccc1C1NN=C(C1)c1cc(Cl)ccc1O

STK555039
Synonyms: (6E)- 6- ({1- [2- (3,5- dimethylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1cc(OCCn2cc(c3c2cccc3)/C=C\2/C(=O)N=c3n(C2=N)nc(s3)c2cccnc2)cc(c1)C

STK555040
Synonyms: N'- [(1E)- 1- (2- hydroxyphenyl)ethylidene]- 4,7,7- trimethyl- 3- oxo- 2- oxabicyclo[2.2.1]heptane- 1- carbohydrazide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)N/N=C(/c1ccccc1O)\C

STK844973
Synonyms: N~2~,N~2~- diethyl- 5- nitro- N~4~- phenylpyrimidine- 2,4,6- triamine
Smiles: CCN(c1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-])CC

STK555042
Synonyms: ethyl(2E)- [2- (4- chlorophenyl)hydrazinylidene][(1- phenyl- 1H- tetrazol- 5- yl)sulfanyl]ethanoate
Smiles: CCOC(=O)/C(=N\Nc1ccc(cc1)Cl)/Sc1nnnn1c1ccccc1

STK555048
Synonyms: 5- (3- methoxyphenyl)- 7- (3- nitrophenyl)- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: COc1cccc(c1)C1=CC(n2c(N1)ncn2)c1cccc(c1)[N+](=O)[O-]

STK555049
Synonyms: 2- {[(2- chlorophenyl)carbonyl]amino}- 5,5- dimethyl- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxamide
Smiles: NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC(C)(C)OC2

STK555053
Synonyms: (4Z)- 2- (furan- 2- yl)- 4- (naphthalen- 2- ylmethylidene)- 1,3- oxazol- 5(4H)- one
Smiles: O=C1OC(=N/C/1=C\c1ccc2c(c1)cccc2)c1ccco1

STK844975
Synonyms: 6- (4- chlorophenyl)- 3- (phenoxymethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1ccc(cc1)c1nn2c(s1)nnc2COc1ccccc1

STK555054
Synonyms: methyl4,6- dimethyl- 3- [(phenylacetyl)amino]thieno[2,3- b]pyridine- 2- carboxylate
Smiles: COC(=O)c1sc2c(c1NC(=O)Cc1ccccc1)c(C)cc(n2)C

STK555056
Synonyms: (3aR,6aS)- 3- (2,4- dichlorophenyl)- 5- (4- fluorophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccc(cc1Cl)Cl

STK555057
Synonyms: 7- [(2,4- dichlorobenzyl)oxy]- 3- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 2- methyl- 6- propyl- 4H- chromen- 4- one
Smiles: CCCc1cc2c(cc1OCc1ccc(cc1Cl)Cl)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C

STK555060
Synonyms: N- [(2E)- 1- butyl- 3- cyano- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- fluorobenzamide
Smiles: CCCCn1/c(=N/C(=O)c2ccc(cc2)F)/c(C#N)cc2c1nc1c(C)cccn1c2=O

STK555067
Synonyms: 3- (1,3- benzothiazol- 2- yl)- 6- ethyl- 2- methyl- 7- [(4- nitrobenzyl)oxy]- 4H- chromen- 4- one
Smiles: CCc1cc2c(cc1OCc1ccc(cc1)[N+](=O)[O-])oc(c(c2=O)c1nc2c(s1)cccc2)C

STK555069
Synonyms: N- [(2E)- 3- cyano- 10- methyl- 1- (2- methylpropyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidin- 2- ylidene]- 4- nitrobenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)[N+](=O)[O-])CC(C)C)nc1n(c2=O)cccc1C

STK555079
Synonyms: 2- (4- methoxyphenyl)- 3- [4- (3- phenoxyphenoxy)butyl]quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1cccc(c1)Oc1ccccc1