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

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STK550328
Synonyms: 5- (2- chlorophenyl)- 3- (propylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1Cl

STK550329
Synonyms: 6- ethyl- 6- methyl- 7- oxo- 5,7,9,10- tetrahydro- 6H- benzo[h][1,3]thiazolo[2,3- b]quinazoline- 10- carbonitrile
Smiles: N#CC1Cn2c(S1)nc1c(c2=O)C(C)(CC)Cc2c1cccc2

STK550331
Synonyms: 4- butoxy- N'- [2- (2- chlorophenyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]benzohydrazide
Smiles: CCCCOc1ccc(cc1)C(=O)NNc1nc(nc2c1c1CCCCc1s2)c1ccccc1Cl

STK550333
Synonyms: 2,4- dichloro- N- [(5Z)- 4- oxo- 5- (pyridin- 3- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NN1C(=S)S/C(=C\c2cccnc2)/C1=O

STK550334
Synonyms: 3- {[(E)- (2,4- dimethoxyphenyl)methylidene]amino}- 7,8- dimethoxy- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1ccc(c(c1)OC)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(c(c1)OC)OC

STK550336
Synonyms: N- (diphenylmethyl)- 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCC3

STK550337
Synonyms: (2'R,3'R)- 3'- [(4- chlorophenyl)carbonyl]- 2'- (3- nitrophenyl)- 2',3'- dihydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 1,3- dione
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)cccc3

STK550339
Synonyms: N,N- diethyl- 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)N(CC)CC)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550340
Synonyms: dipropan- 2- yl[hydroxy(4- methylphenyl)methyl]phosphonate
Smiles: CC(OP(=O)(C(c1ccc(cc1)C)O)OC(C)C)C

STK550341
Synonyms: 4- [(4aS,4bR,7aS,8R)- 8- [(3- nitrophenyl)carbonyl]- 5,7- dioxo- 4b,5,7a,8- tetrahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 6(7H)- yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2cccc(c2)[N+](=O)[O-])N=CC=C1

STK550342
Synonyms: (8R,8aS,11aR)- 8- (2,2- dimethylpropanoyl)- 10- (4- methylphenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=N1)C(=O)C(C)(C)C

STK550343
Synonyms: (5E)- 1- (2,5- dimethylphenyl)- 5- (2,4,5- trimethoxybenzylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1cc(OC)c(cc1/C=C/1\C(=O)NC(=O)N(C1=O)c1cc(C)ccc1C)OC

STK550344
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- (2- methoxyethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCCn1c2nc3ccccc3nc2c(c1N)C(=O)OC(COC)C

STK550345
Synonyms: 2- (2- ethylpiperidin- 1- yl)- 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)ethanone
Smiles: CCC1CCCCN1CC(=O)c1c(C)[nH]c2c1cc(OC)cc2

STK550346
Synonyms: 6- chloro- 2- [1',3'- diphenyl- 5- (thiophen- 2- yl)- 3,4- dihydro- 1'H,2H- 3,4'- bipyrazol- 2- yl]- 4- phenylquinazoline
Smiles: Clc1ccc2c(c1)c(nc(n2)N1N=C(CC1c1cn(nc1c1ccccc1)c1ccccc1)c1cccs1)c1ccccc1

STK550348
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 6- propyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCc1ccc(cc1)Cl

STK550349
Synonyms: 8- fluoro- N- [2- (4- fluorophenyl)ethyl]- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: Fc1ccc(cc1)CCNc1ncnc2c1[nH]c1c2cc(cc1)F

STK550350
Synonyms: 4- ({(E)- 2- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)- N- (1,3- thiazol- 2- yl)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)/c1scc(n1)c1ccc(cc1)Cl

STK550351
Synonyms: N,N- diethyl- N'- [11- (4- fluorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]benzene- 1,4- diamine
Smiles: CCN(c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)F)c(nn1c1ccccc1)C)CC

STK550353
Synonyms: 1- (2- chloro- 10H- phenothiazin- 10- yl)- 2- (piperidin- 1- yl)ethanone
Smiles: Clc1ccc2c(c1)N(C(=O)CN1CCCCC1)c1c(S2)cccc1

STK550354
Synonyms: (2E)- 2- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]- 3- [(3,4,5- trimethoxyphenyl)amino]prop- 2- enenitrile
Smiles: COc1ccc(cc1)c1csc(n1)/C(=C/Nc1cc(OC)c(c(c1)OC)OC)/C#N

STK550358
Synonyms: 2- [(1Z)- 1- {2- [2- (2- fluorophenyl)quinazolin- 4- yl]hydrazinylidene}ethyl]phenol
Smiles: Oc1ccccc1/C(=N\Nc1nc(nc2c1cccc2)c1ccccc1F)/C

STK550359
Synonyms: 3- [(4- fluorobenzyl)sulfanyl]- 5- (methylsulfanyl)- 10- (propan- 2- yl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)F)nn2)CC(OC3)C(C)C

STK550360
Synonyms: 3- imino- 1- methyl- 5- (propan- 2- yl)- 7- propyl- 2,6- dioxabicyclo[2.2.2]octane- 4,8,8- tricarbonitrile
Smiles: CCCC1C2(C)OC(=N)C(C1(C#N)C#N)(C(O2)C(C)C)C#N

STK550361
Synonyms: methyl5- bromo- 1- [2- (4- hydroxyphenyl)ethyl]- 6- oxo- 1,6- dihydropyridine- 3- carboxylate
Smiles: COC(=O)c1cn(CCc2ccc(cc2)O)c(=O)c(c1)Br

STK550364
Synonyms: 8- bromo- 3- {[(E)- (2- fluorophenyl)methylidene]amino}- 2- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Brc1ccc2c(c1)c1nc(C)n(c(=O)c1[nH]2)/N=C/c1ccccc1F

STK550366
Synonyms: 1- benzyl- 2- (4- ethylphenyl)- 5,6- diphenyl- 1H- imidazo[1,2- a]imidazole
Smiles: CCc1ccc(cc1)c1cn2c(n1Cc1ccccc1)nc(c2c1ccccc1)c1ccccc1

STK550367
Synonyms: (8R,8aS,11aR)- 10- (1,3- benzodioxol- 5- yl)- 8- (2,2- dimethylpropanoyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@H]2[C@@H]1C1N([C@H]2C(=O)C(C)(C)C)N=Cc2c1cccc2

STK550369
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- (2- phenylethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK550371
Synonyms: 5- (4- bromophenyl)- 3- (2- methoxyphenyl)- 1- (methylsulfonyl)- 4,5- dihydro- 1H- pyrazole
Smiles: COc1ccccc1C1=NN(C(C1)c1ccc(cc1)Br)S(=O)(=O)C

STK550373
Synonyms: (2'R,3'R)- 3'- [(4- chlorophenyl)carbonyl]- 2'- (3,4- dimethoxyphenyl)- 2',3'- dihydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 1,3- dione
Smiles: COc1ccc(cc1OC)[C@H]1[C@H](C(=O)c2ccc(cc2)Cl)N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2

STK550374
Synonyms: 2- {[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N'- [(E)- (3- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccccc1)N/N=C/c1cccc(c1)[N+](=O)[O-]

STK550375
Synonyms: 3- {4- (4- bromophenyl)- 5- [(2,4- dichlorobenzyl)sulfanyl]- 4H- 1,2,4- triazol- 3- yl}pyridine
Smiles: Brc1ccc(cc1)n1c(SCc2ccc(cc2Cl)Cl)nnc1c1cccnc1

STK550376
Synonyms: propan- 2- yl2- amino- 1- butyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCn1c2nc3ccccc3nc2c(c1N)C(=O)OC(C)C

STK550377
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK550378
Synonyms: 1- phenyl- 1H- tetrazol- 5- yl(1E)- N- (2- methylphenyl)- 2- oxopropanehydrazonothioate
Smiles: CC(=O)/C(=N\Nc1ccccc1C)/Sc1nnnn1c1ccccc1

STK550379
Synonyms: N- (2- ethoxyphenyl)- 11- (4- fluorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccccc1Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(cc1)F)C)c1ccccc1

STK550380
Synonyms: (5Z)- 5- {[1- (2,6- dichlorobenzyl)- 1H- indol- 3- yl]methylidene}- 1- (furan- 2- ylmethyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\c1cn(c2c1cccc2)Cc1c(Cl)cccc1Cl)Cc1ccco1

STK550384
Synonyms: (2'R,3'R)- 3'- (2,2- dimethylpropanoyl)- 2'- phenyl- 2',3'- dihydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 1,3- dione
Smiles: O=C(C(C)(C)C)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccccc1)C(=O)c1c(C2=O)cccc1)cccc3

STK550385
Synonyms: N- [2- hydroxy- 3- (pyrrolidin- 1- yl)propyl]- 4- methyl- N- phenylbenzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1)CN1CCCC1

STK550388
Synonyms: (4aS,4bR,7aS,8R)- 8- [(3- nitrophenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C1NC(=O)[C@@H]2[C@H]1[C@@H](N1[C@H]2C=CC=N1)C(=O)c1cccc(c1)[N+](=O)[O-]

STK550389
Synonyms: 2- imino- 10- methyl- 3- [(4- methylphenyl)sulfonyl]- 1- (pyridin- 4- ylmethyl)- 1,2- dihydro- 5H- dipyrido[1,2- a:2',3'- d]pyrimidin- 5- one
Smiles: Cc1ccc(cc1)S(=O)(=O)c1cc2c(n(c1=N)Cc1ccncc1)nc1n(c2=O)cccc1C

STK550390
Synonyms: (5Z)- 1- (4- fluorophenyl)- 5- [(1- {2- [5- methyl- 2- (propan- 2- yl)phenoxy]ethyl}- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2cc(C)ccc2C(C)C)/C1=O

STK550391
Synonyms: (8S,8aR,11aS,11bS)- 10- (2,5- dimethoxyphenyl)- 8- (2,2- dimethylpropanoyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(c(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2)OC

STK550392
Synonyms: 3- (methylsulfonyl)- 2- (4- nitrophenyl)- 1,3- thiazolidine
Smiles: [O-][N+](=O)c1ccc(cc1)C1SCCN1S(=O)(=O)C

STK550393
Synonyms: 2- [4- (propan- 2- yloxy)phenyl]- N- (tetrahydrofuran- 2- ylmethyl)quinazolin- 4- amine
Smiles: CC(Oc1ccc(cc1)c1nc(NCC2CCCO2)c2c(n1)cccc2)C

STK550394
Synonyms: N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 4- (2- methylpropoxy)benzamide
Smiles: CC(COc1ccc(cc1)C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C)C

STK550395
Synonyms: N- (3,5- dimethylphenyl)- 11- (4- ethylphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cc(C)cc(c1)C)nc1c2cccc1

STK550396
Synonyms: N- (3- chlorophenyl)- 11- [4- (dimethylamino)phenyl]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Clc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)N(C)C)c(nn1c1ccccc1)C

STK550397
Synonyms: N~6~- (2,4- dimethylphenyl)- N~4~- ethyl- 7- nitro- 2,1,3- benzoxadiazole- 4,6- diamine
Smiles: CCNc1cc(Nc2ccc(cc2C)C)c(c2c1non2)[N+](=O)[O-]

STK550398
Synonyms: 5- (benzyloxy)- 3- [3- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)propyl]- 1H- indole- 2- carboxylicacid
Smiles: OC(=O)c1[nH]c2c(c1CCCN1C(=O)c3c(C1=O)cccc3)cc(cc2)OCc1ccccc1

STK550399
Synonyms: 3- (4- chlorophenyl)- 2- [(E)- 2- (1,2- dimethyl- 1H- indol- 3- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)n1c(/C=C/c2c3ccccc3n(c2C)C)nc2c(c1=O)cccc2

STK550400
Synonyms: 2- (2- fluorophenyl)- 4- phenoxyquinazoline
Smiles: Fc1ccccc1c1nc(Oc2ccccc2)c2c(n1)cccc2

STK550401
Synonyms: 3- (2- methylpropyl)- 2- (propylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK550403
Synonyms: 1- [(4- fluorobenzyl)sulfanyl]- 7,7- dimethyl- 4- phenyl- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Fc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CC(OC3)(C)C

STK550404
Synonyms: 3- [5- (benzylsulfanyl)- 4- (4- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]pyridine
Smiles: CCOc1ccc(cc1)n1c(SCc2ccccc2)nnc1c1cccnc1

STK550405
Synonyms: phenyl[3- phenyl- 5- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]methanone
Smiles: O=C(N1N=C(CC1c1cccs1)c1ccccc1)c1ccccc1

STK550406
Synonyms: 10- [(2- chlorobenzyl)oxy]- 12- (3,4- diethoxyphenyl)- 2,3- diethoxy- 5,6- dihydroindolo[2,1- a]isoquinoline
Smiles: CCOc1cc(ccc1OCC)c1c2cc(OCc3ccccc3Cl)ccc2n2c1c1cc(OCC)c(cc1CC2)OCC

STK550407
Synonyms: 2- (butylsulfanyl)- 3- (furan- 2- ylmethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK550408
Synonyms: 2- [(4- methylbenzyl)sulfanyl]- 3- (3- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Cc1cccc(c1)n1c(SCc2ccc(cc2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550409
Synonyms: N- (2- chlorophenyl)- 2- {[5- (furan- 2- yl)- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1Cl)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK550410
Synonyms: 2- [(2- phenylethyl)sulfanyl]- 6- propyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCCc1ccccc1

STK550411
Synonyms: 1- (4- chlorophenyl)- 3- [(3,5- dimethyl- 1H- pyrazol- 1- yl)methyl]pyrrolidine- 2,5- dione
Smiles: Clc1ccc(cc1)N1C(=O)CC(C1=O)Cn1nc(cc1C)C

STK550412
Synonyms: (8R,8aS,11aR)- 8- [(4- methoxyphenyl)carbonyl]- 10- phenyl- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1)cccc3

STK550413
Synonyms: 5- (2- chlorophenyl)- 3- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CC(=C)CSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1Cl

STK550414
Synonyms: N'- (2- {[4- phenyl- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)furan- 2- carbohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1ccncc1)NNC(=O)c1ccco1

STK550415
Synonyms: N- (diphenylmethyl)- 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550416
Synonyms: 4- [methyl(2,3,5,6- tetrafluoropyridin- 4- yl)amino]phenol
Smiles: Oc1ccc(cc1)N(c1c(F)c(F)nc(c1F)F)C

STK550417
Synonyms: 7- (naphthalen- 2- yl)- 3- (3- nitrophenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: O=C1CC2(C(=O)N1c1ccc3c(c1)cccc3)ON=C(C2)c1cccc(c1)[N+](=O)[O-]

STK550419
Synonyms: 5- cyano- 6- ({2- [(2,5- dimethylphenyl)amino]- 2- oxoethyl}sulfanyl)- 4- (4- ethoxyphenyl)- 2- methyl- N- phenyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: CCOc1ccc(cc1)C1C(=C(SCC(=O)Nc2cc(C)ccc2C)NC(=C1C(=O)Nc1ccccc1)C)C#N

STK550421
Synonyms: (3a'R,8a'S,8b'S)- 2'- (4- bromophenyl)- 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: Brc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N3[C@H]2CCC3)C(=O)c2c(C1=O)cccc2

STK550422
Synonyms: N- (2,4- dimethylphenyl)- 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2C)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550423
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (2,3- dihydro- 1H- indol- 1- ylmethyl)- N'- {(1E)- 1- [4- (1H- pyrrol- 1- yl)phenyl]ethylidene}- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CN1CCc2c1cccc2)c1nonc1N)N/N=C(/c1ccc(cc1)n1cccc1)\C

STK550424
Synonyms: 9- (4- methoxyphenyl)- 5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8(9H)- one
Smiles: COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1

STK550425
Synonyms: (4bR,7aS,8R)- 8- [(4- methoxyphenyl)carbonyl]- 6- (4- nitrophenyl)- 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)[N+](=O)[O-]

STK550426
Synonyms: (8S,8aR,11aS,11bS)- 10- (4- bromophenyl)- 8- (2,2- dimethylpropanoyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: Brc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C(C)(C)C

STK550427
Synonyms: 2- {2- [(6,6- dimethyl- 4- oxo- 3- phenyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]ethyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1N(CCSc2nc3sc4c(c3c(=O)n2c2ccccc2)CC(OC4)(C)C)C(=O)c2c1cccc2

STK550428
Synonyms: 2- methoxyethyl2- amino- 1- (2,5- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cc(C)ccc1C

STK550429
Synonyms: 1- {3- [1- cyano- 2- (hexylamino)- 2- oxoethyl]quinoxalin- 2- yl}piperidine- 4- carboxamide
Smiles: CCCCCCNC(=O)C(c1nc2ccccc2nc1N1CCC(CC1)C(=O)N)C#N

STK550432
Synonyms: 2- [(3- methylbenzyl)sulfanyl]- 3- phenyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1cccc(c1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK550433
Synonyms: 9- (4- acetylphenyl)- 5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8(9H)- one
Smiles: CC(=O)c1ccc(cc1)n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1

STK550434
Synonyms: 3- (benzylsulfanyl)- 5- phenyl- 10- (propan- 2- yl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CC(C1OCc2c(C1)c1c(s2)nc(n2c1nnc2SCc1ccccc1)c1ccccc1)C

STK550436
Synonyms: (5Z)- 5- (2,3- dimethoxybenzylidene)- 2- [(3,4- dimethylphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: COc1cccc(c1OC)/C=C/1\SC(=NC1=O)Nc1ccc(c(c1)C)C

STK550437
Synonyms: N- [3- (dibutylamino)- 2- hydroxypropyl]- N- (2- methoxy- 5- nitrophenyl)benzenesulfonamide
Smiles: CCCCN(CC(CN(S(=O)(=O)c1ccccc1)c1cc(ccc1OC)[N+](=O)[O-])O)CCCC

STK550438
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 3- (3- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Cc1cccc(c1)n1c(SCc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550439
Synonyms: 2- {(5Z)- 5- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}- 3- phenylpropanoicacid
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)Cc1ccccc1

STK550441
Synonyms: (8R,8aS,11aR)- 8- acetyl- 10- (4- bromophenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: CC(=O)[C@H]1[C@H]2C(=O)N(C(=O)[C@H]2C2N1N=Cc1c2cccc1)c1ccc(cc1)Br

STK550442
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (3,5- dichloro- 2- methoxyphenyl)methylidene]- 5- (3- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1c(/C=N/NC(=O)c2nnn(c2c2cccc(c2)[N+](=O)[O-])c2nonc2N)cc(cc1Cl)Cl

STK550443
Synonyms: (2'S,3S,3'S,10b'R)- 3'- (2,2- dimethylpropanoyl)- 2'- (thiophen- 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)c1cccs1

STK550445
Synonyms: 2,6- dibutoxy- N- (2- phenylethyl)benzamide
Smiles: CCCCOc1cccc(c1C(=O)NCCc1ccccc1)OCCCC

STK550446
Synonyms: methyl1- acetyl- 7- (4- fluorophenyl)- 6,8- dioxo- 1,2,7- triazaspiro[4.4]non- 2- ene- 3- carboxylate
Smiles: COC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1ccc(cc1)F)C(=O)C

STK550449
Synonyms: (6aS,6bR,9aS,10R)- 10- (2,2- dimethylpropanoyl)- 8- (4- fluorophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)C(C)(C)C

STK550450
Synonyms: N- cyclohexyl- 2- [4- (propan- 2- yloxy)phenyl]quinazolin- 4- amine
Smiles: CC(Oc1ccc(cc1)c1nc(NC2CCCCC2)c2c(n1)cccc2)C

STK550452
Synonyms: (4aR,4bS,7aR,8S)- 6- (2,5- dimethoxyphenyl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccc(c(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)c1ccccc1)OC

STK550453
Synonyms: (2Z)- 2- {[5- (2,4- dichlorophenyl)furan- 2- yl]methylidene}- 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\c1ccc(o1)c1ccc(cc1Cl)Cl)/c2=O

STK550454
Synonyms: 2- [(7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl)sulfanyl]- N- (diphenylmethyl)acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK550455
Synonyms: (2E)- 3- (4- methoxyphenyl)- N- ({2- [(5- methyl- 3- phenyl- 1,2- oxazol- 4- yl)carbonyl]hydrazinyl}carbonothioyl)prop- 2- enamide
Smiles: COc1ccc(cc1)/C=C/C(=O)NC(=S)NNC(=O)c1c(C)onc1c1ccccc1

STK550456
Synonyms: ethyl1- {[(phenylcarbonyl)carbamothioyl]amino}- 5- (propan- 2- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1NC(=S)NC(=O)c1ccccc1)c1CCCCc1c(n2)C(C)C

STK550458
Synonyms: 6,6- dimethyl- 2- [(naphthalen- 2- ylmethyl)sulfanyl]- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: Nc1nc(SCc2ccc3c(c2)cccc3)nc2c1c1CC(C)(C)OCc1s2

STK550459
Synonyms: 3- {4- (4- bromophenyl)- 5- [(2,6- dichlorobenzyl)sulfanyl]- 4H- 1,2,4- triazol- 3- yl}pyridine
Smiles: Brc1ccc(cc1)n1c(nnc1c1cccnc1)SCc1c(Cl)cccc1Cl

STK550460
Synonyms: 11- (3- methylbutyl)- 3- (tetrahydrofuran- 2- ylmethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CC(CCn1c2ncn(c(=O)c2c2c1nc1ccccc1n2)CC1CCCO1)C

STK550461
Synonyms: 3- [(2,2- diethoxyethyl)sulfanyl]- 10,10- dimethyl- 5- (methylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCOC(CSc1nnc2n1c(SC)nc1c2c2CC(C)(C)OCc2s1)OCC

STK550463
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- 9- (2- phenylethyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8(9H)- one
Smiles: O=c1n(CCc2ccccc2)cnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK550464
Synonyms: 2- [(3- methylbenzyl)sulfanyl]- 3- (4- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1ccc(cc1)n1c(SCc2cccc(c2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550465
Synonyms: 2- [2- (4- ethylphenyl)- 5,6- diphenyl- 1H- imidazo[1,2- a]imidazol- 1- yl]ethanol
Smiles: OCCn1c(cn2c1nc(c2c1ccccc1)c1ccccc1)c1ccc(cc1)CC

STK550466
Synonyms: 1- (2- chloro- 10H- phenothiazin- 10- yl)- 2- (4- methylpiperazin- 1- yl)ethanone
Smiles: CN1CCN(CC1)CC(=O)N1c2ccccc2Sc2c1cc(Cl)cc2

STK550468
Synonyms: N- [(2Z,5Z)- 5- (4- chlorobenzylidene)- 3- (4- chlorophenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]benzamide
Smiles: Clc1ccc(cc1)N1/C(=N/C(=O)c2ccccc2)/S/C(=C\c2ccc(cc2)Cl)/C1=O

STK550469
Synonyms: 2- amino- 1- butyl- N- pentyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCCNC(=O)c1c2nc3ccccc3nc2n(c1N)CCCC

STK550470
Synonyms: 6- iodo- 3- (2- methylprop- 2- en- 1- yl)- 2- [(2- phenylethyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: CC(=C)Cn1c(SCCc2ccccc2)nc2c(c1=O)cc(cc2)I

STK550471
Synonyms: ethyl4- {[(2E,5Z)- 5- (4- chlorobenzylidene)- 3- methyl- 4- oxo- 1,3- thiazolidin- 2- ylidene]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)/N=C\1/S/C(=C\c2ccc(cc2)Cl)/C(=O)N1C

STK550472
Synonyms: 2- hydroxy- N'- [(E)- 1H- indol- 2- ylmethylidene]- 2- phenylacetohydrazide
Smiles: O=C(C(c1ccccc1)O)N/N=C/c1cc2c([nH]1)cccc2

STK550473
Synonyms: (2E)- 3- (4- fluorophenyl)- N- {[2- (pyridin- 3- yl)piperidin- 1- yl]carbamothioyl}prop- 2- enamide
Smiles: S=C(NN1CCCCC1c1cccnc1)NC(=O)/C=C/c1ccc(cc1)F

STK550475
Synonyms: (9E)- 3- (4- bromophenyl)- 9- (4- chlorobenzylidene)- 5- (4- chlorophenyl)- 6,7,8,9- tetrahydro- 5H- [1,3]thiazolo[2,3- b]quinazoline
Smiles: Clc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)Br)/C(=C/c1ccc(cc1)Cl)/CCC2

STK550477
Synonyms: N- methyl- 2- {[4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl]sulfanyl}- N- phenylacetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3SCC(=O)N(c1ccccc1)C)C

STK550479
Synonyms: (4aR,4bS,7aR,8S)- 6- (2,4- dimethoxyphenyl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1cc(OC)ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)N=CC=C1

STK550480
Synonyms: (5Z)- 1- [4- (butan- 2- yl)phenyl]- 5- {[1- (2- methylbenzyl)- 1H- indol- 3- yl]methylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccccc2C)/C1=O)C

STK550481
Synonyms: methyl3- chloro- 2- iodo- 3- phenylpropanoate
Smiles: COC(=O)C(C(c1ccccc1)Cl)I

STK550482
Synonyms: 4- butyl- 7- [(2,6- dichlorobenzyl)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)ncnc3SCc1c(Cl)cccc1Cl

STK550483
Synonyms: propan- 2- yl2- amino- 1- (4- methylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)C)C

STK550484
Synonyms: N- (diphenylmethyl)- 2- {[4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl]sulfanyl}acetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3SCC(=O)NC(c1ccccc1)c1ccccc1)C

STK550486
Synonyms: 5- cyano- N- (4- fluorophenyl)- 4- (furan- 2- yl)- 6- ({2- [(3- methoxyphenyl)amino]- 2- oxoethyl}sulfanyl)- 2- methyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: COc1cccc(c1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccc(cc1)F)c1ccco1

STK550488
Synonyms: 2- {[3- (4- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- phenylpropanamide
Smiles: COc1ccc(cc1)n1c(SC(C(=O)Nc2ccccc2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550490
Synonyms: N- (4- chlorophenyl)- 2- (3,5- dimethylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CC(C)CN(C1)c1nc(Nc2ccc(cc2)Cl)c(c(n1)N)[N+](=O)[O-]

STK550492
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- ethyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCn1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550493
Synonyms: 11- [4- (dimethylamino)phenyl]- 10- methyl- N- (3- methylphenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)N(C)C)c(nn1c1ccccc1)C

STK550494
Synonyms: 2- (1,3- benzothiazol- 2- ylsulfanyl)- N'- cyclopentylideneacetohydrazide
Smiles: O=C(CSc1nc2c(s1)cccc2)NN=C1CCCC1

STK550495
Synonyms: 2- {(2Z)- 2- [(2E)- benzylidenehydrazinylidene]- 4- oxo- 1,3- thiazolidin- 5- yl}- N- (3- bromophenyl)acetamide
Smiles: O=C(CC1S/C(=N\N=C\c2ccccc2)/NC1=O)Nc1cccc(c1)Br

STK550497
Synonyms: N- (2,3- dimethylphenyl)- N- [(2- hydroxy- 7- methylquinolin- 3- yl)methyl]- 2- methylbenzamide
Smiles: Cc1ccc2c(c1)nc(c(c2)CN(c1cccc(c1C)C)C(=O)c1ccccc1C)O

STK550499
Synonyms: 5- (3- bromophenyl)- 9- chloro- 2- (naphthalen- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1cccc(c1)Br)c1ccc2c(c1)cccc2

STK550500
Synonyms: 1- (2- chlorobenzyl)- 3- [(4- chlorophenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: Clc1ccc(cc1)S(=O)(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccccc1Cl

STK550501
Synonyms: (4bR,7aS,8R)- 6- (2- methoxyphenyl)- 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)c1ccccc1OC

STK550503
Synonyms: 2- [4- (2- chlorobenzyl)piperazin- 1- yl]- N'- [(Z)- (2,3- dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1c(/C=N\NC(=O)CN2CCN(CC2)Cc2ccccc2Cl)cccc1OC

STK550504
Synonyms: 8- chloro- N- (2- methoxybenzyl)- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: COc1ccccc1CNc1ncnc2c1[nH]c1c2cc(cc1)Cl

STK550505
Synonyms: 2- methyl- 4- {4- methyl- 3- [(4- methylpiperazin- 1- yl)sulfonyl]phenyl}phthalazin- 1(2H)- one
Smiles: CN1CCN(CC1)S(=O)(=O)c1cc(ccc1C)c1nn(C)c(=O)c2c1cccc2

STK550506
Synonyms: N- (3- chloro- 4- methylphenyl)- 11- (4- ethylphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)Cl)C)c1ccccc1

STK550507
Synonyms: 3- (2- chlorophenyl)- 2- [(E)- 2- (2- hydroxyphenyl)ethenyl]- 6- iodoquinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1O)c1ccccc1Cl

STK550508
Synonyms: 2- [2- ({4- amino- 6- [(3- methylphenyl)amino]- 5- nitropyrimidin- 2- yl}amino)ethoxy]ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)Nc1cccc(c1)C)[N+](=O)[O-]

STK550509
Synonyms: 4- {[(6aS,6bR,9aS,10R)- 8- (4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinolin- 10- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)[N+](=O)[O-])C=Cc1c2cccc1

STK550510
Synonyms: N- (3- chloro- 4- methylphenyl)- 11- (3- methoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)Cl)C)c1ccccc1

STK550511
Synonyms: 2- [6- (1,3- benzodioxol- 5- ylamino)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl]- 4- bromophenol
Smiles: Brc1ccc(c(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc2c(c1)OCO2)c1ccccc1)O

STK550513
Synonyms: 4- [3- (4- chlorophenyl)- 5- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1cccs1)c1ccc(cc1)Cl

STK550514
Synonyms: 1,5- diethyl- 3,7- bis(phenylacetyl)- 3,7- diazabicyclo[3.3.1]nonan- 9- one
Smiles: CCC12CN(CC(C2=O)(CN(C1)C(=O)Cc1ccccc1)CC)C(=O)Cc1ccccc1

STK550515
Synonyms: 2- ({5- [(4- chlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)- N'- [(E)- (2- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)Cl)N/N=C/c1ccccc1[N+](=O)[O-]

STK550516
Synonyms: 8- chloro- N- (4- methoxybenzyl)- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: COc1ccc(cc1)CNc1ncnc2c1[nH]c1c2cc(cc1)Cl

STK550517
Synonyms: N- ethyl- 2- imino- 10- methyl- 5- oxo- 1- (tetrahydrofuran- 2- ylmethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: CCNC(=O)c1cc2c(n(c1=N)CC1CCCO1)nc1n(c2=O)cccc1C

STK550518
Synonyms: 3- (3- methylphenyl)- 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Cc1cccc(c1)n1c(SCC(=O)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550519
Synonyms: N- (3,4- dimethylphenyl)- 11- (4- ethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(c(c1)C)C)nc1c2cccc1

STK550520
Synonyms: 11- [4- (dimethylamino)phenyl]- N- (3,4- dimethylphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CN(c1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)C)C)c1ccccc1)C

STK550521
Synonyms: N'- [(3Z)- 5- bromo- 2- oxo- 1- {[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 1,2- dihydro- 3H- indol- 3- ylidene]- 4- fluorobenzohydrazide
Smiles: Brc1ccc2c(c1)/C(=N/NC(=O)c1ccc(cc1)F)/C(=O)N2CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STK550522
Synonyms: (5Z)- 1- (3- chloro- 4- methylphenyl)- 5- ({1- [2- (2- methylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\c1cn(c2c1cccc2)CCOc1ccccc1C)c1ccc(c(c1)Cl)C

STK550525
Synonyms: N- (4- iodophenyl)- 4- nitro- 7- (piperidin- 1- yl)- 2,1,3- benzoxadiazol- 5- amine
Smiles: Ic1ccc(cc1)Nc1cc(N2CCCCC2)c2c(c1[N+](=O)[O-])non2

STK550526
Synonyms: methyl1- acetyl- 6,8- dioxo- 7- phenyl- 1,2,7- triazaspiro[4.4]non- 2- ene- 3- carboxylate
Smiles: COC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1ccccc1)C(=O)C

STK550527
Synonyms: 3- (4- chlorophenyl)- 6- iodo- 2- [(E)- 2- (2- methylphenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)n1c(/C=C/c2ccccc2C)nc2c(c1=O)cc(cc2)I

STK550528
Synonyms: 3- (6- chloro- 2- oxo- 4- phenyl- 1,2- dihydroquinolin- 3- yl)- 5- (4- chlorophenyl)- N- phenyl- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: Clc1ccc(cc1)C1CC(=NN1C(=S)Nc1ccccc1)c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl

STK550529
Synonyms: ethyl5- (4- bromophenyl)- 4,6- dioxo- 1- (3- oxobutyl)- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(cc1)Br)CCC(=O)C

STK550530
Synonyms: 2- {[10- (methylsulfanyl)- 5- (propan- 2- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}- N,N- diphenylacetamide
Smiles: CSc1nc(SCC(=O)N(c2ccccc2)c2ccccc2)c2c(n1)c1c(s2)nc(c2c1CCCC2)C(C)C

STK550532
Synonyms: 4- (3,4- dihydroisoquinolin- 2(1H)- yl)- 2- (3,4- dimethoxyphenyl)- 7- ethoxy- 6- methoxyquinazoline
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CCc2c(C1)cccc2)c1ccc(c(c1)OC)OC

STK550533
Synonyms: 3- [(2,6- dichlorobenzyl)sulfanyl]- 5- (methylsulfanyl)- 10- (propan- 2- yl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1c(Cl)cccc1Cl)nn2)CC(OC3)C(C)C

STK550535
Synonyms: 5- ethyl- 2- hydrazinyl- 5- methyl- 3- (4- methylphenyl)- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c(n2)NN)c1ccc(cc1)C

STK550536
Synonyms: (2'R,3'R)- 2'- (5- bromo- 2- hydroxyphenyl)- 3'- [(4- methoxyphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 1,3- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1cc(Br)ccc1O)C(=O)c1c(C2=O)cccc1)cccc3

STK550537
Synonyms: N- (4- methylphenyl)- 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK550538
Synonyms: N- [(3- cyano- 5,6,7,8- tetrahydroquinolin- 2- yl)carbamothioyl]benzamide
Smiles: N#Cc1cc2CCCCc2nc1NC(=S)NC(=O)c1ccccc1

STK550539
Synonyms: prop- 2- en- 1- yl2- amino- 1- (2- ethoxyphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: C=CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccccc1OCC

STK550540
Synonyms: 2- (4- benzylpiperazin- 1- yl)- N'- [(E)- (3- bromo- 4- methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1Br)/C=N/NC(=O)CN1CCN(CC1)Cc1ccccc1

STK550542
Synonyms: 2- (4- benzylpiperazin- 1- yl)- N'- [(E)- (2- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]

STK550544
Synonyms: (5Z)- 1- (3- chloro- 4- methylphenyl)- 5- {[1- (3- phenoxypropyl)- 1H- indol- 3- yl]methylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\c1cn(c2c1cccc2)CCCOc1ccccc1)c1ccc(c(c1)Cl)C

STK550545
Synonyms: 2- (4- fluorophenyl)- 5,7- di(propan- 2- yl)- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: CC(C12CN3CC(C2=O)(CN(C1)C3c1ccc(cc1)F)C(C)C)C

STK550546
Synonyms: 2- oxo- N- (2- phenylethyl)- 2H- pyran- 5- carboxamide
Smiles: O=c1ccc(co1)C(=O)NCCc1ccccc1

STK550548
Synonyms: 2- {[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N'- [(E)- (4- chlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccccc1)N/N=C/c1ccc(cc1)Cl

STK550549
Synonyms: N,4- dibutyl- 2,3,5a,10b- tetrahydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: CCCCNc1ncnc2c1SC1C2C2=C(C(=N1)CCCC)CCC2

STK550550
Synonyms: 8- chloro- 10- [3- (trifluoromethyl)phenyl]pyrimido[4,5- b]quinoline- 2,4(3H,10H)- dione
Smiles: Clc1ccc2c(c1)n(c1cccc(c1)C(F)(F)F)c1c(c2)c(=O)[nH]c(=O)n1

STK550551
Synonyms: N- (2,4- dimethoxyphenyl)- 11- (3,4- dimethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccc(c(c1)OC)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)OC)OC)c(nn1c1ccccc1)C

STK550552
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (4- nitrophenyl)methylidene]- 5- (phenoxymethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1COc1ccccc1)c1nonc1N)N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK550553
Synonyms: N- (4- chlorophenyl)- 2- {[5- (methylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)Cl)nn2)CCCC3

STK550554
Synonyms: (8R,8aS,11aR)- N- (4- chlorophenyl)- 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- carboxamide
Smiles: Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)Nc2ccc(cc2)Cl)N=Cc2c1cccc2

STK550555
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(2Z)- butan- 2- ylidene]- 5- (3- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CC/C(=N\NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N)/C

STK550556
Synonyms: 8- chloro- N- [2- (3,4- dimethoxyphenyl)ethyl]- N- methyl- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: COc1cc(CCN(c2ncnc3c2[nH]c2c3cc(cc2)Cl)C)ccc1OC

STK550559
Synonyms: tert- butyl(2'R,3'R)- 2'- (2,4- dimethoxyphenyl)- 1,3- dioxo- 1,2',3,3'- tetrahydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 3'- carboxylate
Smiles: COc1ccc(c(c1)OC)[C@H]1[C@H](C(=O)OC(C)(C)C)N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2

STK550562
Synonyms: 1- amino- N- (2- chlorophenyl)- 8,8- dimethyl- 5- (morpholin- 4- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1)Nc1ccccc1Cl

STK550563
Synonyms: 4- (4- ethoxyphenyl)- N- (naphthalen- 2- yl)phthalazin- 1- amine
Smiles: CCOc1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc2c(c1)cccc2

STK550564
Synonyms: ethyl1- {3- [1- cyano- 2- (2- methoxyethoxy)- 2- oxoethyl]quinoxalin- 2- yl}piperidine- 4- carboxylate
Smiles: COCCOC(=O)C(c1nc2ccccc2nc1N1CCC(CC1)C(=O)OCC)C#N

STK550565
Synonyms: 2- (4- chlorophenyl)- 3- [3- (2,3,6- trimethylphenoxy)propyl]quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1c(C)ccc(c1C)C

STK550566
Synonyms: ethyl3- {[3- (4- methylpiperidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C)cccc2

STK550567
Synonyms: 3- (2- chlorophenyl)- 6- iodo- 2- [(E)- 2- (3- methylphenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Cc1cccc(c1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccccc1Cl)I

STK550568
Synonyms: 12- hexyl- 9- (hexylsulfanyl)- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclohexan]- 7(12H)- one
Smiles: CCCCCCSc1nnc2n1c(=O)c1c(n2CCCCCC)c2ccccc2CC21CCCCC2

STK550569
Synonyms: 4- [(4- chlorobenzyl)sulfanyl]- 6- ethyl- 6- methyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(SCc3ccc(cc3)Cl)nc(nc1s2)SC

STK550570
Synonyms: 2- [(E)- 2- (2- chlorophenyl)ethenyl]- 6- iodo- 3- (naphthalen- 2- yl)quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1Cl)c1ccc2c(c1)cccc2

STK550571
Synonyms: N- (4- chlorophenyl)- 11- (2,3- dimethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1cccc(c1OC)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)Cl)c1ccccc1

STK550574
Synonyms: 3- (3- methoxyphenyl)- 2- [(2- methylbenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: COc1cccc(c1)n1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550576
Synonyms: (5Z)- 1- (3- chloro- 4- methylphenyl)- 5- ({1- [2- (3- methylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Cc1cccc(c1)OCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C

STK550577
Synonyms: 5- methyl- 3- phenyl- N- {[2- (pyridin- 3- ylcarbonyl)hydrazinyl]carbonothioyl}- 1,2- oxazole- 4- carboxamide
Smiles: S=C(NC(=O)c1c(C)onc1c1ccccc1)NNC(=O)c1cccnc1

STK550579
Synonyms: (5Z)- 1- (3- chloro- 4- methoxyphenyl)- 5- {[1- (3- methylbenzyl)- 1H- indol- 3- yl]methylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2cccc(c2)C)/C1=O

STK550580
Synonyms: 3- [5- (4- bromophenoxy)pentyl]- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1ccc(cc1)Br

STK550581
Synonyms: propan- 2- yl2- amino- 1- (2,4- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1C)C)C

STK550584
Synonyms: 4- [5- (4- bromophenyl)- 3'- (4- methylphenyl)- 1'- phenyl- 4,5- dihydro- 1H,1'H- 3,4'- bipyrazol- 1- yl]- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)Br)c1cn(nc1c1ccc(cc1)C)c1ccccc1

STK550585
Synonyms: 2- amino- 1- (1,3- benzodioxol- 5- yl)- N- (3- methoxypropyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc2c(c1)OCO2

STK550586
Synonyms: N- (3- methylphenyl)- 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550587
Synonyms: 2- {2- [(5- ethyl- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]ethyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: CCc1nc2sc3c(c2c2n1c(SCCN1C(=O)c4c(C1=O)cccc4)nn2)CC(OC3)(C)C

STK550588
Synonyms: N- (4- chlorophenyl)- 2- (4- methylpiperazin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CN1CCN(CC1)c1nc(Nc2ccc(cc2)Cl)c(c(n1)N)[N+](=O)[O-]

STK550589
Synonyms: 4- {6- [(3- chloro- 4- methoxyphenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}- 2- methoxyphenol
Smiles: COc1ccc(cc1Cl)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)OC)O)c(nn1c1ccccc1)C

STK550590
Synonyms: 2- [(Z)- (5- bromo- 1- ethyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]- 3- (2- methylphenyl)quinazolin- 4(3H)- one
Smiles: CCN1c2ccc(cc2/C(=C/c2nc3ccccc3c(=O)n2c2ccccc2C)/C1=O)Br

STK550591
Synonyms: 4- {(Z)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}phenylacetate
Smiles: N#C/C(=C/c1ccc(cc1)OC(=O)C)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK550595
Synonyms: (8R,8aS,11aR)- 10- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 8- [(4- methoxyphenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)cccc3

STK550596
Synonyms: 4- {6- [(4- butylphenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}- 2- methoxyphenol
Smiles: CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)OC)O)c(nn1c1ccccc1)C

STK550601
Synonyms: 2- [(6,6- dimethyl- 4- oxo- 3- phenyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C

STK550602
Synonyms: (2E)- 2- cyano- N- [2- (3,4- dimethoxyphenyl)ethyl]- 2- [5- (4- fluorobenzyl)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: N#C/C(=C/1\SC(C(=O)N1c1ccccc1)Cc1ccc(cc1)F)/C(=O)NCCc1ccc(c(c1)OC)OC

STK550603
Synonyms: 2- [4- (3- methylbutoxy)phenyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: CC(CCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2)C

STK550604
Synonyms: (4Z)- 4- [(1- acetyl- 3- phenyl- 1H- pyrazol- 4- yl)methylidene]- 2- (2- chloro- 4- nitrophenyl)- 1,3- oxazol- 5(4H)- one
Smiles: O=C1OC(=N/C/1=C\c1cn(nc1c1ccccc1)C(=O)C)c1ccc(cc1Cl)[N+](=O)[O-]

STK550605
Synonyms: 4- chloro- N- {3- [4- (diphenylmethyl)piperazin- 1- yl]quinoxalin- 2- yl}benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK550606
Synonyms: 2,4- dichloro- N- ({4- [(2E)- 3- phenylprop- 2- en- 1- yl]piperazin- 1- yl}carbonothioyl)benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NC(=S)N1CCN(CC1)C/C=C/c1ccccc1

STK550607
Synonyms: N- cyclohexyl- 6,6- dimethyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CSc1nc(NC2CCCCC2)c2c(n1)sc1c2CC(OC1)(C)C

STK550610
Synonyms: (9E)- 9- (4- fluorobenzylidene)- 5- (4- fluorophenyl)- 7- methyl- 3- phenyl- 6,7,8,9- tetrahydro- 5H- pyrido[4,3- d][1,3]thiazolo[3,2- a]pyrimidine
Smiles: CN1C/C(=C\c2ccc(cc2)F)/C2=C(C1)C(c1ccc(cc1)F)n1c(=N2)scc1c1ccccc1

STK550614
Synonyms: 2- {[4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3SCC(=O)NCCc1ccccc1)C

STK550615
Synonyms: 2- [(E)- 2- (1,3- benzodioxol- 5- yl)ethenyl]- 6- iodo- 3- (naphthalen- 1- yl)quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc2c(c1)OCO2)c1cccc2c1cccc2

STK550616
Synonyms: (9E)- 9- (4- chlorobenzylidene)- 5- (4- chlorophenyl)- 3- (4- fluorophenyl)- 7- methyl- 6,7,8,9- tetrahydro- 5H- pyrido[4,3- d][1,3]thiazolo[3,2- a]pyrimidine
Smiles: CN1C/C(=C\c2ccc(cc2)Cl)/C2=C(C1)C(c1ccc(cc1)Cl)n1c(=N2)scc1c1ccc(cc1)F

STK550617
Synonyms: (6aS,6bR,9aS,10R)- 8- (4- bromophenyl)- 10- (2,2- dimethylpropanoyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Brc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)C(C)(C)C

STK550618
Synonyms: ethyl7- ({[4- (2- fluorophenyl)piperazin- 1- yl]acetyl}amino)- 5H- [1,3]dioxolo[4,5- f]indole- 6- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1ccccc1F)cc1c(c2)OCO1

STK550619
Synonyms: 4- {6- [(4- bromophenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}- 2- methoxyphenol
Smiles: COc1cc(ccc1O)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)Br)c1ccccc1

STK550620
Synonyms: 1- ethyl- 2- imino- 8- methyl- 3- (phenylsulfonyl)- 1,2- dihydro- 5H- dipyrido[1,2- a:2',3'- d]pyrimidin- 5- one
Smiles: CCn1c2nc3ccc(cn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccccc1)C

STK550621
Synonyms: methyl2- [(8R,8aS,11aR)- 8- [(4- methoxyphenyl)carbonyl]- 9,11- dioxo- 8a,9,11a,11b- tetrahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazin- 10(11H)- yl]benzoate
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1C(=O)OC)cccc3

STK550622
Synonyms: (2E)- N- (4- butylphenyl)- 2- cyano- 2- [5- (4- methoxybenzyl)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: CCCCc1ccc(cc1)NC(=O)/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1ccc(cc1)OC)/C#N

STK550623
Synonyms: 2- [(4- methylbenzyl)sulfanyl]- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCn1c(SCc2ccc(cc2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550624
Synonyms: 4- bromo- N- [2- (naphthalen- 2- yl)imidazo[1,2- a]pyridin- 3- yl]benzamide
Smiles: Brc1ccc(cc1)C(=O)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK550625
Synonyms: N~4~- (4- chlorophenyl)- 5- nitro- N~2~- (2- phenylethyl)pyrimidine- 2,4,6- triamine
Smiles: Clc1ccc(cc1)Nc1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N

STK550626
Synonyms: N- carbamimidoyl- 4- ({(E)- 2- cyano- 2- [4- (4- ethylphenyl)- 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)CC

STK550627
Synonyms: (5Z)- 5- ({1- [2- (4- chloro- 2- methylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 1- (4- ethylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2ccc(cc2C)Cl)/C1=O

STK550628
Synonyms: (6aS,6bR,9aS,10R)- N,8- bis(4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: O=C([C@@H]1N2c3ccccc3C=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-]

STK550629
Synonyms: propan- 2- yl2- amino- 1- (3,4- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)C)C)C

STK550630
Synonyms: 2- {[2- (4- butoxyphenyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- 1- (4- nitrophenyl)ethanone
Smiles: CCCCOc1ccc(cc1)c1nc(SCC(=O)c2ccc(cc2)[N+](=O)[O-])c2c(n1)sc1c2CC(OC1)(C)C

STK550631
Synonyms: N'~1~,N'~8~- bis[(3Z)- 5,7- dibromo- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]octanedihydrazide
Smiles: O=C(N/N=C/1\C(=O)Nc2c1cc(Br)cc2Br)CCCCCCC(=O)N/N=C/1\C(=O)Nc2c1cc(Br)cc2Br

STK550632
Synonyms: (6aS,6bR,9aS,10R)- 8- (2- chlorophenyl)- 10- [(4- chlorophenyl)carbonyl]- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1Cl)C=Cc1c2cccc1

STK550634
Synonyms: (4bR,7aS,8R)- 6- (2,4- dimethylphenyl)- 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(cc1C)C

STK550635
Synonyms: 1- (1- benzyl- 5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- (3,4- dihydroisoquinolin- 2(1H)- yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCc3c(C1)cccc3)c(n2Cc1ccccc1)C

STK550636
Synonyms: (2Z)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- [(2,6- dimethylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1c(C)cccc1C)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK550638
Synonyms: ethyl4- {2- [(E)- 2- (4- hydroxyphenyl)ethenyl]- 6- iodo- 4- oxoquinazolin- 3(4H)- yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(/C=C/c2ccc(cc2)O)nc2c(c1=O)cc(cc2)I

STK550639
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- (3- butoxypropyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCOCCCn1c2nc3ccccc3nc2c(c1N)C(=O)OC(COC)C

STK550640
Synonyms: 2- ({5- [(4- chlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)- N'- [(E)- (2,3- dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cccc(c1OC)/C=N/NC(=O)CSc1nnc(s1)SCc1ccc(cc1)Cl

STK550641
Synonyms: 1- [2- (3,4- dimethoxyphenyl)ethyl]- 2- (4- ethylphenyl)- 5,6- diphenyl- 1H- imidazo[1,2- a]imidazole
Smiles: CCc1ccc(cc1)c1cn2c(n1CCc1ccc(c(c1)OC)OC)nc(c2c1ccccc1)c1ccccc1

STK550642
Synonyms: N- (3- methylphenyl)- 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

STK550643
Synonyms: 1- (4- chlorophenyl)- 2- [(5- ethyl- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]ethanone
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)c1ccc(cc1)Cl)nn2)CCC3

STK550644
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 6- propyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCc1ccc(cc1Cl)Cl

STK550646
Synonyms: 2- [(7,7- dimethyl- 5- oxo- 4- phenyl- 4,5,6,9- tetrahydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl)sulfanyl]- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CC(OC3)(C)C

STK550647
Synonyms: N- benzyl- 2- {[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3)NCc1ccccc1

STK550648
Synonyms: N- (3- chlorophenyl)- 4- (4- ethoxyphenyl)phthalazin- 1- amine
Smiles: CCOc1ccc(cc1)c1nnc(c2c1cccc2)Nc1cccc(c1)Cl

STK550649
Synonyms: 8- {(2E)- 2- [4- (3,5- diphenyl- 4,5- dihydro- 1H- pyrazol- 1- yl)benzylidene]hydrazinyl}quinoline
Smiles: c1ccc(cc1)C1CC(=NN1c1ccc(cc1)/C=N/Nc1cccc2c1nccc2)c1ccccc1

STK550651
Synonyms: N'- (8- bromo- 5H- pyrimido[5,4- b]indol- 4- yl)- N,N- dimethylpropane- 1,3- diamine
Smiles: CN(CCCNc1ncnc2c1[nH]c1c2cc(cc1)Br)C

STK550652
Synonyms: 2- (methoxycarbonyl)phenyl1- chloro- 4- (4- nitrophenyl)- 2- [(2- nitrophenyl)sulfanyl]- 2,3,3a,4,5,9b- hexahydro- 1H- cyclopenta[c]quinoline- 8- carboxylate
Smiles: COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C(Cl)C(CC1C(N2)c1ccc(cc1)[N+](=O)[O-])Sc1ccccc1[N+](=O)[O-]

STK550656
Synonyms: N- (2- ethoxyphenyl)- 10- methyl- 11- (3- nitrophenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccccc1Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccc(c1)[N+](=O)[O-])C)c1ccccc1

STK550657
Synonyms: 2,2'- {[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- 3,7- diyl]disulfanediyl}diacetamide
Smiles: NC(=O)CSc1nnc2n1c1nnc(n1c1c2c2CC(OCc2s1)C(C)C)SCC(=O)N

STK550658
Synonyms: 3- (3- methoxyphenyl)- 2- [(3- methylbenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: COc1cccc(c1)n1c(SCc2cccc(c2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550659
Synonyms: 4- [10- methyl- 8- phenyl- 6- (phenylamino)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl]benzene- 1,2- diol
Smiles: Oc1cc(ccc1O)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccccc1)c1ccccc1

STK550661
Synonyms: 2- (methoxycarbonyl)phenyl4- (4- nitrophenyl)- 3a,4,5,9b- tetrahydro- 3H- cyclopenta[c]quinoline- 8- carboxylate
Smiles: COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C=CCC1C(N2)c1ccc(cc1)[N+](=O)[O-]

STK550662
Synonyms: 3- butyl- 2- (pentylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCCn1c(SCCCCC)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550663
Synonyms: ethyl(2Z)- 3,4- dihydroquinolin- 1(2H)- yl[2- (4- nitrophenyl)hydrazinylidene]ethanoate
Smiles: CCOC(=O)/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/N1CCCc2c1cccc2

STK550665
Synonyms: 3- (furan- 2- ylmethyl)- 2- (propylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK550666
Synonyms: 1- [(4- bromobenzyl)sulfanyl]- 4- (4- methoxyphenyl)- 7- (propan- 2- yl)- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CC(OCc1s2)C(C)C)SCc1ccc(cc1)Br

STK550667
Synonyms: [(4- oxo- 3- propyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]acetonitrile
Smiles: CCCn1c(SCC#N)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550670
Synonyms: 2- ({5- [(naphthalen- 1- ylmethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(s1)SCc1cccc2c1cccc2

STK550671
Synonyms: 3- (4- methylphenyl)- N- (naphthalen- 1- yl)- 3- [4- (propan- 2- yloxy)phenyl]propanamide
Smiles: Cc1ccc(cc1)C(c1ccc(cc1)OC(C)C)CC(=O)Nc1cccc2c1cccc2

STK550672
Synonyms: N- (furan- 2- ylmethyl)- 5- nitro- 2- (piperidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(NCc2ccco2)nc(nc1N)N1CCCCC1

STK550673
Synonyms: 2- (methoxycarbonyl)phenyl1- chloro- 4- (3- nitrophenyl)- 2- [(2- nitrophenyl)sulfanyl]- 2,3,3a,4,5,9b- hexahydro- 1H- cyclopenta[c]quinoline- 8- carboxylate
Smiles: COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C(Cl)C(CC1C(N2)c1cccc(c1)[N+](=O)[O-])Sc1ccccc1[N+](=O)[O-]

STK550674
Synonyms: (2'R,3'R)- 2'- (2,4- dimethoxyphenyl)- 3'- (2,2- dimethylpropanoyl)- 2',3'- dihydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 1,3- dione
Smiles: COc1ccc(c(c1)OC)[C@H]1[C@@H](N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2)C(=O)C(C)(C)C

STK550676
Synonyms: 3- (3- methoxypropyl)- 11- (2- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1

STK550677
Synonyms: (8R,8aS,11aR)- 8- [(4- chlorophenyl)carbonyl]- 10- (3- nitrophenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])cccc3

STK550678
Synonyms: N- (2,3- dichlorophenyl)- 7- (3- methylpiperidin- 1- yl)- 4- nitro- 2,1,3- benzoxadiazol- 5- amine
Smiles: CC1CCCN(C1)c1cc(Nc2cccc(c2Cl)Cl)c(c2c1non2)[N+](=O)[O-]

STK550679
Synonyms: ethyl7- {[(4- benzylpiperazin- 1- yl)acetyl]amino}- 5H- [1,3]dioxolo[4,5- f]indole- 6- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)Cc1ccccc1)cc1c(c2)OCO1

STK550683
Synonyms: (2E)- 2- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]- 3- [(3,4,5- trimethoxyphenyl)amino]prop- 2- enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C/Nc1cc(OC)c(c(c1)OC)OC)/C#N

STK550684
Synonyms: ethyl4- {6- iodo- 2- [(E)- 2- (3- nitrophenyl)ethenyl]- 4- oxoquinazolin- 3(4H)- yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(/C=C/c2cccc(c2)[N+](=O)[O-])nc2c(c1=O)cc(cc2)I

STK550685
Synonyms: 3- chloro- N- [2- (naphthalen- 2- yl)imidazo[1,2- a]pyridin- 3- yl]benzamide
Smiles: Clc1cccc(c1)C(=O)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK550686
Synonyms: tert- butyl(8R,8aS,11aR)- 10- (4- nitrophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 8- carboxylate
Smiles: O=C([C@H]1[C@H]2C(=O)N(C(=O)[C@H]2C2N1N=Cc1c2cccc1)c1ccc(cc1)[N+](=O)[O-])OC(C)(C)C

STK550687
Synonyms: N~4~- (furan- 2- ylmethyl)- N~2~- (3- methoxypropyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COCCCNc1nc(NCc2ccco2)c(c(n1)N)[N+](=O)[O-]

STK550688
Synonyms: (9E)- 7- methyl- 9- (4- methylbenzylidene)- 5- (4- methylphenyl)- 3- phenyl- 6,7,8,9- tetrahydro- 5H- pyrido[4,3- d][1,3]thiazolo[3,2- a]pyrimidine
Smiles: CN1C/C(=C\c2ccc(cc2)C)/C2=C(C1)C(c1ccc(cc1)C)n1c(=N2)scc1c1ccccc1

STK550692
Synonyms: 2- [(7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl)sulfanyl]- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK550693
Synonyms: 3,5- dinitro- N- [1- (1- pentyl- 1H- benzimidazol- 2- yl)ethyl]benzamide
Smiles: CCCCCn1c(nc2c1cccc2)C(NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C

STK550694
Synonyms: N- (2,1,3- benzoxadiazol- 4- yl)- 4,6- dimethyl- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)Nc1cccc2c1non2

STK550695
Synonyms: N- (4- chlorophenyl)- 11- (4- fluorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Fc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)Cl)c1ccccc1

STK550696
Synonyms: O- (4- nitrophenyl)O,O- diphenylphosphorothioate
Smiles: S=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]

STK550698
Synonyms: N'- [6- bromo- 4- (2- chlorophenyl)quinazolin- 2- yl]- 2,4- dichlorobenzohydrazide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NNc1nc2ccc(cc2c(n1)c1ccccc1Cl)Br

STK550700
Synonyms: 3- ethyl- 2- [(4- methylbenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCn1c(SCc2ccc(cc2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550701
Synonyms: (5Z)- 5- [4- (dimethylamino)- 3- nitrobenzylidene]- 1- (2- ethylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(c(c2)[N+](=O)[O-])N(C)C)/C1=O

STK550703
Synonyms: 5- (6,7- dimethoxy- 1,2,3,4- tetrahydroisoquinolin- 1- yl)- 6- hydroxy- 2- thioxo- 3- [3- (trifluoromethyl)phenyl]- 2,3- dihydropyrimidin- 4(1H)- one
Smiles: COc1cc2CCNC(c2cc1OC)c1c(O)[nH]c(=S)n(c1=O)c1cccc(c1)C(F)(F)F

STK550704
Synonyms: 11- (3- bromophenyl)- 10- methyl- N- (3- methylphenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Brc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1)C)c1ccccc1

STK550705
Synonyms: N- (3- bromophenyl)- 2- {(2Z)- 2- [(2E)- (4- chlorobenzylidene)hydrazinylidene]- 4- oxo- 1,3- thiazolidin- 5- yl}acetamide
Smiles: O=C(CC1S/C(=N\N=C\c2ccc(cc2)Cl)/NC1=O)Nc1cccc(c1)Br

STK550706
Synonyms: 2- [(2,2- diethoxyethyl)sulfanyl]- 6- (propan- 2- yl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCOC(CSc1nc(N)c2c(n1)sc1c2CC(OC1)C(C)C)OCC

STK550707
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- (2- methylprop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CC(=C)Cn1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550708
Synonyms: 11- (3- chlorophenyl)- 3- (2,5- dichlorophenyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Clc1ccc(c(c1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2c1cccc(c1)Cl)Cl

STK550709
Synonyms: 9- tert- butylanthra[1,2- b]benzo[d]thiophene- 5,13- dione
Smiles: O=C1c2ccccc2C(=O)c2c1c1sc3c(c1cc2)cc(cc3)C(C)(C)C

STK550711
Synonyms: 7,8- dimethoxy- 4- (thiomorpholin- 4- yl)- 5H- pyrimido[5,4- b]indole
Smiles: COc1cc2c(cc1OC)[nH]c1c2ncnc1N1CCSCC1

STK550713
Synonyms: 4- [5- (4- chlorophenyl)- 3- (3,4- dimethoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 4- oxobutanoicacid
Smiles: COc1cc(ccc1OC)C1=NN(C(C1)c1ccc(cc1)Cl)C(=O)CCC(=O)O

STK550714
Synonyms: (2E)- 2- [4- (3- bromophenyl)- 1,3- thiazol- 2- yl]- 3- {[2- (difluoromethoxy)phenyl]amino}prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1OC(F)F)/c1scc(n1)c1cccc(c1)Br

STK550715
Synonyms: N'- [6,6- dimethyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]propanehydrazide
Smiles: CCC(=O)NNc1nc(SC)nc2c1c1CC(C)(C)OCc1s2

STK550716
Synonyms: (8R,8aS,11aR)- 8- acetyl- 10- (4- fluorophenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: CC(=O)[C@H]1[C@H]2C(=O)N(C(=O)[C@H]2C2N1N=Cc1c2cccc1)c1ccc(cc1)F

STK550717
Synonyms: 3,3'- {[5- (methylsulfanyl)- 1,3,4- thiadiazol- 2- yl]imino}dipropanoicacid(non- preferredname)
Smiles: CSc1nnc(s1)N(CCC(=O)O)CCC(=O)O

STK550718
Synonyms: 2- [(2,6- dichlorobenzyl)sulfanyl]- 3- (4- methoxyphenyl)- 6,6- dimethyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: COc1ccc(cc1)n1c(SCc2c(Cl)cccc2Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK550719
Synonyms: N,N- diethyl- 2- {[3- (3- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)OC)CCCC3)CC

STK550720
Synonyms: 2- {[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N'- [(E)- (4- bromophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccccc1)N/N=C/c1ccc(cc1)Br

STK550721
Synonyms: N- tert- butyl- 2- (2- fluorophenyl)quinazolin- 4- amine
Smiles: Fc1ccccc1c1nc(NC(C)(C)C)c2c(n1)cccc2

STK550722
Synonyms: ethyl5- bromo- 3- {[3- (4- methylpiperidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C)cc(cc2)Br

STK550724
Synonyms: N- (3- methoxyphenyl)- 2- {[4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1ncnc2c1sc1c2c2CCCc2c(n1)CC(C)C

STK550725
Synonyms: 2- (4- butoxyphenyl)- 4- [(2,4- dichlorobenzyl)sulfanyl]- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCCOc1ccc(cc1)c1nc(SCc2ccc(cc2Cl)Cl)c2c(n1)sc1c2CC(OC1)(C)C

STK550727
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- (4- nitrophenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@@H]1CCCN1[C@]12C(=O)Nc2c1cccc2

STK550729
Synonyms: 5- (1H- benzimidazol- 2- ylmethylidene)- 1,3- diphenylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1N(c2ccccc2)C(=O)/C(=C/c2nc3c([nH]2)cccc3)/C(=O)N1c1ccccc1

STK550730
Synonyms: N~6~- (2- chlorophenyl)- N~4~- ethyl- 7- nitro- 2,1,3- benzoxadiazole- 4,6- diamine
Smiles: CCNc1cc(Nc2ccccc2Cl)c(c2c1non2)[N+](=O)[O-]

STK550731
Synonyms: (2E)- 2- cyano- N- (2,3- dimethylphenyl)- 2- [5- (4- methoxybenzyl)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: N#C/C(=C/1\SC(C(=O)N1c1ccccc1)Cc1ccc(cc1)OC)/C(=O)Nc1cccc(c1C)C

STK550732
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (dimethylamino)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)N(C)C)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK550733
Synonyms: 8- chloro- N- (3,4- dimethoxybenzyl)- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: COc1cc(CNc2ncnc3c2[nH]c2c3cc(cc2)Cl)ccc1OC

STK550734
Synonyms: 2- (methoxycarbonyl)phenyl4- (4- bromophenyl)- 1- chloro- 2- [(2- nitrophenyl)sulfanyl]- 2,3,3a,4,5,9b- hexahydro- 1H- cyclopenta[c]quinoline- 8- carboxylate
Smiles: COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C(Cl)C(CC1C(N2)c1ccc(cc1)Br)Sc1ccccc1[N+](=O)[O-]

STK550735
Synonyms: 11- (3,4- dichlorophenyl)- N- (3,5- dimethylphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1cc(cc(c1)C)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)Cl)Cl)c(nn1c1ccccc1)C

STK550736
Synonyms: 3- butyl- 2- (methylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCCn1c(SC)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550737
Synonyms: 4- [(3aR,6aS)- 3- (3- nitrophenyl)- 4,6- dioxo- 3a,4,6,6a- tetrahydro- 5H- pyrrolo[3,4- d][1,2]oxazol- 5- yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1cccc(c1)[N+](=O)[O-]

STK550738
Synonyms: 2- [(Z)- (2- {[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (morpholin- 4- ylmethyl)- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)methyl]- 6- methoxyphenylacetate
Smiles: COc1cccc(c1OC(=O)C)/C=N\NC(=O)c1nnn(c1CN1CCOCC1)c1nonc1N

STK550739
Synonyms: (8S,8aR,11aS,11bS)- 8- (2,2- dimethylpropanoyl)- 10- (2- methoxyphenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2

STK550740
Synonyms: 5- [3- (4- fluorophenyl)- 1H- pyrazol- 5- yl]- 4- (naphthalen- 1- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: Fc1ccc(cc1)c1n[nH]c(c1)c1nnc(n1c1cccc2c1cccc2)S

STK550741
Synonyms: 3- bromo- 2- oxo- N- (2- phenylethyl)- 2H- pyran- 5- carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)NCCc1ccccc1

STK550744
Synonyms: N- (2- {(2E)- 2- [1- (2,4- dimethoxyphenyl)ethylidene]hydrazinyl}- 2- oxoethyl)- 2- phenylacetamide(non- preferredname)
Smiles: COc1cc(OC)ccc1/C(=N/NC(=O)CNC(=O)Cc1ccccc1)/C

STK550745
Synonyms: methyl4- ({(2E,5Z)- 5- [3- ethoxy- 4- (prop- 2- en- 1- yloxy)benzylidene]- 3- methyl- 4- oxo- 1,3- thiazolidin- 2- ylidene}amino)benzoate
Smiles: C=CCOc1ccc(cc1OCC)/C=C/1\S/C(=N/c2ccc(cc2)C(=O)OC)/N(C1=O)C

STK550746
Synonyms: tert- butyl(2'R,3'R)- 2'- (4- nitrophenyl)- 1,3- dioxo- 1,2',3,3'- tetrahydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 3'- carboxylate
Smiles: O=C([C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)cccc3)OC(C)(C)C

STK550748
Synonyms: (4bR,7aS,8R)- 6- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 8- [(4- methoxyphenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2

STK550749
Synonyms: 5- (2- chlorophenyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Clc1ccccc1c1nc2sc3c(c2c2n1cnn2)CCCC3

STK550750
Synonyms: 2- chloro- 6- ethoxy- 3- [3- phenyl- 1- (phenylsulfonyl)- 4,5- dihydro- 1H- pyrazol- 5- yl]quinoline
Smiles: CCOc1ccc2c(c1)cc(c(n2)Cl)C1CC(=NN1S(=O)(=O)c1ccccc1)c1ccccc1

STK550751
Synonyms: (5Z)- 3- (2- chlorophenyl)- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccccc1Cl

STK550753
Synonyms: (5Z)- 5- {[5- (4- bromophenyl)furan- 2- yl]methylidene}- 1- [4- (butan- 2- yl)phenyl]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)Br)/C1=O)C

STK550754
Synonyms: 2- [(5- hydrazinyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]- N- (2- phenylethyl)acetamide
Smiles: NNc1nc2sc3c(c2c2n1c(SCC(=O)NCCc1ccccc1)nn2)CCCC3

STK550756
Synonyms: N,N- diethyl- N'- (10- methyl- 8,11- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl)benzene- 1,4- diamine
Smiles: CCN(c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2)c(nn1c1ccccc1)C)CC

STK550757
Synonyms: N- (2,3- dimethylphenyl)- N- [(2- hydroxy- 8- methylquinolin- 3- yl)methyl]- 2- methylbenzamide
Smiles: Oc1nc2c(C)cccc2cc1CN(c1cccc(c1C)C)C(=O)c1ccccc1C

STK550758
Synonyms: 6- iodo- 2- [(E)- 2- (2- methylphenyl)ethenyl]- 3- (naphthalen- 1- yl)quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1C)c1cccc2c1cccc2

STK550760
Synonyms: 3- butyl- 5- imino- 1- methyl- 7- phenyl- 2,6- dioxabicyclo[2.2.2]octane- 4,8,8- tricarbonitrile
Smiles: CCCCC1OC2(C)OC(=N)C1(C#N)C(C2c1ccccc1)(C#N)C#N

STK550761
Synonyms: ethyl5- bromo- 3- ({3- [4- (2- methoxyphenyl)piperazin- 1- yl]propanoyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1ccccc1OC)cc(cc2)Br

STK550762
Synonyms: (4bR,7aS,8R)- 6- (4- bromophenyl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Brc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)c2ccccc2)N=CC=C1

STK550763
Synonyms: methyl4- [9- bromo- 2- (thiophen- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1Oc2ccc(cc2C2N1N=C(C2)c1cccs1)Br

STK550764
Synonyms: 4- (5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexan]- 2- yl)phenol
Smiles: Oc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK550766
Synonyms: 3- {[(E)- 1,3- benzodioxol- 5- ylmethylidene]amino}- 8- bromo- 2- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Brc1ccc2c(c1)c1nc(C)n(c(=O)c1[nH]2)/N=C/c1ccc2c(c1)OCO2

STK550767
Synonyms: 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- phenylacetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550768
Synonyms: 5- [3- (6- chloro- 2- oxo- 4- phenyl- 1,2- dihydroquinolin- 3- yl)- 5- (2,4- dichlorophenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1ccc(cc1Cl)Cl)c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl

STK550769
Synonyms: (5Z)- 3- (3- methylphenyl)- 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)C

STK550770
Synonyms: N- (furan- 2- ylmethyl)- 2- (pyridin- 2- yl)quinazolin- 4- amine
Smiles: c1ccc(nc1)c1nc(NCc2ccco2)c2c(n1)cccc2

STK550772
Synonyms: 9- hydroxy- N'- [(E)- (4- methoxyphenyl)methylidene]- 9H- fluorene- 9- carbohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)C1(O)c2ccccc2c2c1cccc2

STK550773
Synonyms: 11- (4- tert- butylphenyl)- 10- methyl- N,8- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1nn(c2c1C(c1ccc(cc1)C(C)(C)C)n1c(=N2)c(Nc2ccccc2)nc2c1cccc2)c1ccccc1

STK550777
Synonyms: ethyl7- ({[4- (2- hydroxyethyl)piperazin- 1- yl]acetyl}amino)- 5H- [1,3]dioxolo[4,5- f]indole- 6- carboxylate
Smiles: OCCN1CCN(CC1)CC(=O)Nc1c([nH]c2c1cc1OCOc1c2)C(=O)OCC

STK550780
Synonyms: 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCC3

STK550781
Synonyms: (5Z)- 1- [4- (butan- 2- yl)phenyl]- 5- {[1- (4- chlorobenzyl)- 1H- indol- 3- yl]methylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccc(cc2)Cl)/C1=O)C

STK550783
Synonyms: 2- {[6,6- dimethyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- 1- (4- fluorophenyl)ethanone
Smiles: CSc1nc(SCC(=O)c2ccc(cc2)F)c2c(n1)sc1c2CC(OC1)(C)C

STK550784
Synonyms: (5Z)- 5- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 2- {[3- (trifluoromethyl)phenyl]amino}- 1,3- thiazol- 4(5H)- one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=NC1=O)Nc1cccc(c1)C(F)(F)F

STK550786
Synonyms: (5Z)- 5- ({1- [3- (3,4- dimethylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)- 1- (4- ethylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccc(c(c2)C)C)/C1=O

STK550787
Synonyms: (2Z)- 2- [(5Z)- 5- (3- chloro- 4- ethoxy- 5- methoxybenzylidene)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]- 2- cyano- N- (2- methoxyphenyl)ethanamide
Smiles: CCOc1c(Cl)cc(cc1OC)/C=c/1\s/c(=C(\C(=O)Nc2ccccc2OC)/C#N)/n(c1=O)c1ccccc1

STK550789
Synonyms: 11- (3,5- dimethylphenyl)- 3- (2- methoxyphenyl)- 2- methyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccccc1n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1cc(C)cc(c1)C

STK550792
Synonyms: 11- (4- tert- butylphenyl)- N- (4- ethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)(C)C)c(nn1c1ccccc1)C

STK550794
Synonyms: (5Z)- 5- ({1- [2- (2,6- dimethylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 1- (4- ethylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2c(C)cccc2C)/C1=O

STK550795
Synonyms: (4Z)- 2- (2- chloro- 4- nitrophenyl)- 4- (4- methoxy- 3- nitrobenzylidene)- 1,3- oxazol- 5(4H)- one
Smiles: COc1ccc(cc1[N+](=O)[O-])/C=C/1\N=C(OC1=O)c1ccc(cc1Cl)[N+](=O)[O-]

STK550796
Synonyms: 2- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 3- (3- methoxyphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: COc1cccc(c1)n1c(SCC(=O)c2ccc(cc2)Br)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550797
Synonyms: 2- amino- 1- (4- chlorobenzyl)- N- hexyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc(cc1)Cl

STK550800
Synonyms: 11- (3- chlorophenyl)- N- (4- ethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)Cl)c(nn1c1ccccc1)C

STK550801
Synonyms: 2- [4- (8- fluoro- 5H- pyrimido[5,4- b]indol- 4- yl)piperazin- 1- yl]ethanol
Smiles: OCCN1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)F

STK550802
Synonyms: 1- [3- (furan- 2- yl)- 5- (4- methylphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]ethanone
Smiles: Cc1ccc(cc1)C1CC(=NN1C(=O)C)c1ccco1

STK550803
Synonyms: 3- (4- chlorophenyl)- 2- [(Z)- (1,5- dimethyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)n1c(/C=C\2/c3cc(C)ccc3N(C2=O)C)nc2c(c1=O)cccc2

STK550804
Synonyms: N- [2- hydroxy- 3- (pyrrolidin- 1- yl)propyl]- N- (4- methylphenyl)benzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccccc1)c1ccc(cc1)C)CN1CCCC1

STK550805
Synonyms: 10,10- dimethyl- 5- (methylsulfanyl)- 3- [(naphthalen- 2- ylmethyl)sulfanyl]- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc4c(c1)cccc4)nn2)CC(OC3)(C)C

STK550806
Synonyms: (1'S,2'S,3R,3a'R)- 1'- (2,2- dimethylpropanoyl)- 2'- (pyridin- 3- ylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: O=C([C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C)c1cccnc1

STK550807
Synonyms: 4- methoxy- N- [2- (naphthalen- 2- yl)imidazo[1,2- a]pyridin- 3- yl]benzamide
Smiles: COc1ccc(cc1)C(=O)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK550808
Synonyms: 2- [(5- bromo- 4- chloropyrimidin- 2- yl)oxy]phenol
Smiles: Oc1ccccc1Oc1ncc(c(n1)Cl)Br

STK550809
Synonyms: 2- {[8,8- dimethyl- 11- (morpholin- 4- yl)- 7,10- dihydro- 8H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nnc2n1cnc1c2sc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK550810
Synonyms: methyl2- {[6,6- dimethyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}propanoate
Smiles: COC(=O)C(Sc1nc(SC)nc2c1c1CC(C)(C)OCc1s2)C

STK550811
Synonyms: 2- [5- (4- bromophenyl)- 3- (4- methylphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 6- chloro- 4- phenylquinazoline
Smiles: Brc1ccc(cc1)C1CC(=NN1c1nc2ccc(cc2c(n1)c1ccccc1)Cl)c1ccc(cc1)C

STK550812
Synonyms: methyl(2E)- [(2Z)- 2- {1- cyano- 2- [(4- methylphenyl)amino]- 2- oxoethylidene}- 4- oxo- 3- phenyl- 1,3- thiazolidin- 5- ylidene]ethanoate
Smiles: COC(=O)/C=c\1/s/c(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/n(c1=O)c1ccccc1

STK550813
Synonyms: (2E)- 2- [5- (3- chlorobenzyl)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]- 2- cyano- N- (4- ethoxyphenyl)ethanamide
Smiles: CCOc1ccc(cc1)NC(=O)/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1cccc(c1)Cl)/C#N

STK550814
Synonyms: 2- amino- N- (1,3- benzodioxol- 5- ylmethyl)- 1- (3,4,5- trimethoxyphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COc1cc(cc(c1OC)OC)n1c(N)c(c2c1nc1ccccc1n2)C(=O)NCc1ccc2c(c1)OCO2

STK550817
Synonyms: 11- (2,4- dimethoxyphenyl)- 3- phenyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccc(c(c1)OC)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)c1ccccc1

STK550818
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [4- methoxy- 3- (morpholin- 4- ylmethyl)phenyl]methylidene}- 5- (3- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1CN1CCOCC1)/C=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N

STK550819
Synonyms: 2- [(E)- 2- (2- fluorophenyl)ethenyl]- 6- iodo- 3- (naphthalen- 2- yl)quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1F)c1ccc2c(c1)cccc2

STK550822
Synonyms: 7- (piperidin- 1- yl)- 4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CC(c1nc2sc3c(c2c2c1CCC2)ncnc3N1CCCCC1)C

STK550823
Synonyms: N- [4- (acetylamino)phenyl]- 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: CC(=C)Cn1c(SCC(=O)Nc2ccc(cc2)NC(=O)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550824
Synonyms: (5Z)- 1- (4- ethylphenyl)- 5- ({1- [3- (4- methylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccc(cc2)C)/C1=O

STK550825
Synonyms: 3- [5- (4- chloro- 2- methylphenoxy)pentyl]- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1ccc(cc1C)Cl

STK550826
Synonyms: (2'R,3'R)- 3'- [(4- chlorophenyl)carbonyl]- 2'- (4- methoxyphenyl)- 2',3'- dihydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 1,3- dione
Smiles: COc1ccc(cc1)[C@H]1[C@H](C(=O)c2ccc(cc2)Cl)N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2

STK550827
Synonyms: 2- (4- benzylpiperazin- 1- yl)- N'- [(E)- (3- methylthiophen- 2- yl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1)N/N=C/c1sccc1C

STK550828
Synonyms: 3,4- dimethoxy- N- [(2- {[(1S,2S)- 2- phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]benzamide
Smiles: COc1ccc(cc1OC)C(=O)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK550829
Synonyms: 5- methyl- 2- (propan- 2- yl)cyclohexyl[4- (dimethylamino)phenyl][(phenylamino)(3,4,5- trimethoxyphenyl)methyl]phosphinate
Smiles: COc1cc(cc(c1OC)OC)C(P(=O)(c1ccc(cc1)N(C)C)OC1CC(C)CCC1C(C)C)Nc1ccccc1

STK550830
Synonyms: 5- methyl- 3- phenyl- N- {[2- (pyrazin- 2- ylcarbonyl)hydrazinyl]carbonothioyl}- 1,2- oxazole- 4- carboxamide
Smiles: S=C(NC(=O)c1c(C)onc1c1ccccc1)NNC(=O)c1cnccn1

STK550831
Synonyms: 2- amino- N- [2- (3,4- dimethoxyphenyl)ethyl]- 1- (2- methylpropyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COc1cc(CCNC(=O)c2c(N)n(c3c2nc2ccccc2n3)CC(C)C)ccc1OC

STK550832
Synonyms: (8R,8aS,11aR)- 8- [(4- methoxyphenyl)carbonyl]- 10- (4- nitrophenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])cccc3

STK550833
Synonyms: ethyl1- acetyl- 7- (3- chlorophenyl)- 6,8- dioxo- 1,2,7- triazaspiro[4.4]non- 2- ene- 3- carboxylate
Smiles: CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1cccc(c1)Cl)C(=O)C

STK550834
Synonyms: N- (4- chlorophenyl)- 2- {[2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: CSc1nc(SCC(=O)Nc2ccc(cc2)Cl)c2c(n1)sc1c2CCCC1

STK550836
Synonyms: (2'S,3S,3'S,10b'R)- 3'- (2,2- dimethylpropanoyl)- 2'- {[4- (2- methylpropyl)phenyl]carbonyl}- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: CC(Cc1ccc(cc1)C(=O)[C@@H]1[C@H](N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C(=O)C(C)(C)C)C

STK550837
Synonyms: 8- methyl- N- (2- methylpropyl)- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: CC(CNc1ncnc2c1[nH]c1c2cc(cc1)C)C

STK550839
Synonyms: ethyl{[3- (2- methylpropyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCC3

STK550841
Synonyms: 6- hydroxy- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)- 2- thioxo- 3- [3- (trifluoromethyl)phenyl]- 2,3- dihydropyrimidin- 4(1H)- one
Smiles: Oc1[nH]c(=S)n(c(=O)c1C1NCCc2c1cccc2)c1cccc(c1)C(F)(F)F

STK550844
Synonyms: (5Z)- 5- ({1- [3- (4- chlorophenoxy)propyl]- 1H- indol- 3- yl}methylidene)- 1- (furan- 2- ylmethyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Clc1ccc(cc1)OCCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccco1

STK550845
Synonyms: 2- oxo- 2- [(2,4,6- trimethylphenyl)amino]ethyldiphenylacetate
Smiles: O=C(Nc1c(C)cc(cc1C)C)COC(=O)C(c1ccccc1)c1ccccc1

STK550846
Synonyms: 3- [5- (4- chloro- 2,6- dimethylphenoxy)pentyl]- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1c(C)cc(cc1C)Cl

STK499807
Synonyms:
Smiles: [O-][N](=O)c1ccc2c(c1)nc(n2C)CN1CCN(CC1)S(=O)(=O)c1ccccc1

STL052312
Synonyms: 6- amino- 4- (9- ethyl- 9H- carbazol- 3- yl)- 3- (propan- 2- yl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc3c(c1)c1ccccc1n3CC)c([nH]n2)C(C)C

STK580923
Synonyms: 4- [(2E)- 2- (2H- chromen- 3- ylmethylidene)hydrazinyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine
Smiles: N(=C\C1=Cc2c(OC1)cccc2)/Nc1ncnc2c1c1CCCCc1s2

STK599405
Synonyms: 4- [(2E)- 2- (2,3,4- trimethoxybenzylidene)hydrazinyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine
Smiles: COc1c(/C=N/Nc2ncnc3c2c2CCCCc2s3)ccc(c1OC)OC

STK550847
Synonyms: 11- (1,3- benzodioxol- 5- ylmethyl)- 2- ethyl- 3- (2- methoxyethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2

STK550848
Synonyms: 3- {2- [2- (4- bromo- 2,6- dimethylphenoxy)ethoxy]ethyl}- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1c(C)cc(cc1C)Br

STK550850
Synonyms: 10- (4- chlorophenyl)pyrimido[4,5- b]quinoline- 2,4(3H,10H)- dione
Smiles: Clc1ccc(cc1)n1c2ccccc2cc2c1nc(=O)[nH]c2=O

STK550851
Synonyms: (8R,8aS,11aR)- 8- [(4- methoxyphenyl)carbonyl]- 10- (3- nitrophenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])cccc3

STK550852
Synonyms: N- (1,3- benzodioxol- 5- yl)- 11- (4- fluorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Fc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc2c(c1)OCO2)c1ccccc1

STK550854
Synonyms: N- carbamimidoyl- 4- ({(Z)- 2- cyano- 2- [4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C/Nc1ccc(cc1)S(=O)(=O)NC(=N)N)/c1scc(n1)c1ccc2c(c1)cccc2

STK550855
Synonyms: ethyl3- [(3- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}propanoyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2

STK550856
Synonyms: 4- (benzyloxy)- N- [(5Z)- 5- (2,4- dimethoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(OC)ccc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)OCc1ccccc1

STK550859
Synonyms: ethyl5- methoxy- 3- ({[4- (pyridin- 2- yl)piperazin- 1- yl]acetyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1ccccn1)cc(cc2)OC

STK550860
Synonyms: tert- butyl(2'R,3'R)- 2'- (4- bromophenyl)- 1,3- dioxo- 1,2',3,3'- tetrahydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 3'- carboxylate
Smiles: Brc1ccc(cc1)[C@H]1[C@H](C(=O)OC(C)(C)C)N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2

STK550861
Synonyms: 3- {5- [(2- chlorobenzyl)sulfanyl]- 4- (4- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl}pyridine
Smiles: CCOc1ccc(cc1)n1c(SCc2ccccc2Cl)nnc1c1cccnc1

STK550864
Synonyms: 1- [2- (diethylamino)ethyl]- 7,7- dimethyl- 2- phenyl- 1,5,7,8- tetrahydro- 4H- pyrano[4,3- d]pyrimidine- 4- thione
Smiles: CCN(CCn1c(nc(=S)c2c1CC(C)(C)OC2)c1ccccc1)CC

STK550865
Synonyms: 2- {2- [(4- amino- 6- ethyl- 6- methyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]ethyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: CCC1(C)OCc2c(C1)c1c(N)nc(nc1s2)SCCN1C(=O)c2c(C1=O)cccc2

STK550866
Synonyms: N- ({2- [(6- chloropyridin- 3- yl)carbonyl]hydrazinyl}carbonothioyl)- 5- methyl- 3- phenyl- 1,2- oxazole- 4- carboxamide
Smiles: S=C(NC(=O)c1c(C)onc1c1ccccc1)NNC(=O)c1ccc(nc1)Cl

STK550867
Synonyms: 2- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 6- propyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCC(=C)C

STK550869
Synonyms: 2- [(2Z)- 2- (3,5- diphenylcyclohex- 2- en- 1- ylidene)hydrazinyl]- 4- phenylquinazoline
Smiles: c1ccc(cc1)C1C/C(=N/Nc2nc3ccccc3c(n2)c2ccccc2)/C=C(C1)c1ccccc1

STK550870
Synonyms: 4- fluoro- 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)F

STK550871
Synonyms: 5- (hexadecylsulfanyl)- 3- octyl- 1H- 1,2,4- triazole
Smiles: CCCCCCCCCCCCCCCCSc1[nH]nc(n1)CCCCCCCC

STK550872
Synonyms: 2- amino- N- (3- methoxypropyl)- 1- (3- methylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COCCCNC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)C

STK550874
Synonyms: N- (2- {(2Z)- 2- [1- (4- chlorophenyl)ethylidene]hydrazinyl}- 2- oxoethyl)- 2- (3- methylphenoxy)acetamide(non- preferredname)
Smiles: O=C(N/N=C(\c1ccc(cc1)Cl)/C)CNC(=O)COc1cccc(c1)C

STK550875
Synonyms: 4- (benzyloxy)- N- [(5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)OCc1ccccc1

STK550876
Synonyms: 2- {[5- (furan- 2- yl)- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}- N- (1- phenylpropan- 2- yl)acetamide
Smiles: CC(Cc1ccccc1)NC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK550877
Synonyms: (5Z)- 3- [4- (diethylamino)phenyl]- 5- (2,3- dimethoxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCN(c1ccc(cc1)N1C(=S)S/C(=C\c2cccc(c2OC)OC)/C1=O)CC

STK550878
Synonyms: (2'R,3'R)- 2'- (3,4- dimethoxyphenyl)- 3'- [(4- methoxyphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 1,3- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccc(c(c1)OC)OC)C(=O)c1c(C2=O)cccc1)cccc3

STK550879
Synonyms: 2- {4- [4- (naphthalen- 2- ylamino)phthalazin- 1- yl]phenoxy}- 1- (piperidin- 1- yl)ethanone
Smiles: O=C(N1CCCCC1)COc1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc2c(c1)cccc2

STK550881
Synonyms: N- (3- methoxyphenyl)- 2- [(2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl)sulfanyl]acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C

STK550883
Synonyms: N- (2,4- dimethylphenyl)- N- [(2- hydroxy- 8- methylquinolin- 3- yl)methyl]- 2- methylbenzamide
Smiles: Cc1ccc(c(c1)C)N(C(=O)c1ccccc1C)Cc1cc2cccc(c2nc1O)C

STK550885
Synonyms: 2- {4- [(4- ethoxyphenyl)amino]quinazolin- 2- yl}phenol
Smiles: CCOc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccccc1O

STK550886
Synonyms: (2E)- 1- phenyl- 3- {2- [(2,3,5,6- tetrafluoropyridin- 4- yl)oxy]phenyl}prop- 2- en- 1- one
Smiles: O=C(c1ccccc1)/C=C/c1ccccc1Oc1c(F)c(F)nc(c1F)F

STK550887
Synonyms: 2- [(4- amino- 6,8- diphenyl- 5,8- dihydro- 6H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (2- phenylethyl)acetamide
Smiles: O=C(CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1)NCCc1ccccc1

STK550888
Synonyms: 2- [(2,2- diethoxyethyl)sulfanyl]- 6,6- dimethyl- 3- (4- methylphenyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CCOC(CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(OC3)(C)C)OCC

STK550889
Synonyms: 3- bromo- N- (3- fluorophenyl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: Fc1cccc(c1)NC(=O)c1coc(=O)c(c1)Br

STK550890
Synonyms: (2'R,3'R)- 3'- [(4- methoxyphenyl)carbonyl]- 2'- (3- nitrophenyl)- 2',3'- dihydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 1,3- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)cccc3

STK550891
Synonyms: 3- [(2,4- dichlorobenzyl)sulfanyl]- 5- ethyl- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCc1nc2sc3c(c2c2n1c(SCc1ccc(cc1Cl)Cl)nn2)CC(OC3)(C)C

STK550892
Synonyms: 2- (4- methylphenyl)- 3- (phenylsulfonyl)- 1,3- thiazolidine
Smiles: Cc1ccc(cc1)C1SCCN1S(=O)(=O)c1ccccc1

STK550893
Synonyms: (5Z)- 1- (4- ethylphenyl)- 5- ({1- [3- (3- methoxyphenoxy)propyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2cccc(c2)OC)/C1=O

STK550894
Synonyms: N- benzyl- 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)NCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550895
Synonyms: (5Z)- 5- ({1- [3- (2,3- dimethylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)- 1- (4- ethylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2cccc(c2C)C)/C1=O

STK550897
Synonyms: 1- phenyl- 1H- tetrazol- 5- yl(1E)- N- (4- chlorophenyl)- 2- oxopropanehydrazonothioate
Smiles: Clc1ccc(cc1)N/N=C(\C(=O)C)/Sc1nnnn1c1ccccc1

STK550898
Synonyms: 2- [(E)- 2- (4- chlorophenyl)ethenyl]- 6- iodo- 3- (2- methyl- 5- nitrophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1cc(ccc1C)[N+](=O)[O-])I

STK550899
Synonyms: 2- {[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: O=C(CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3)NCCc1ccccc1

STK550900
Synonyms: 2- [(Z)- (5- bromo- 1- ethyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]- 3- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(/C=C\2/c3cc(Br)ccc3N(C2=O)CC)nc2c(c1=O)cccc2

STK550901
Synonyms: N- (2- methoxyphenyl)- 2- [4- (propan- 2- yloxy)phenyl]quinazolin- 4- amine
Smiles: COc1ccccc1Nc1nc(nc2c1cccc2)c1ccc(cc1)OC(C)C

STK550902
Synonyms: 5- (2- chlorophenyl)- 3- [(4- fluorobenzyl)sulfanyl]- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Fc1ccc(cc1)CSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1Cl

STK550903
Synonyms: N- [(1- ethylpyrrolidin- 2- yl)methyl]- 9- fluoro- 7- hydroxy- 3- methyl- 5- oxo- 2,3- dihydro- 1H,5H- pyrido[3,2,1- ij]quinoline- 6- carboxamide
Smiles: CCN1CCCC1CNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)C(C)CC3

STK550904
Synonyms: 4- butoxy- N- (3- cyano- 5- propyl- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 2- yl)benzamide
Smiles: CCCCOc1ccc(cc1)C(=O)Nc1sc2c(c1C#N)CC(OC2)CCC

STK550905
Synonyms: (1E)- 8- (azepan- 1- yl)- 1- (hydroxyimino)octan- 2- one
Smiles: O/N=C/C(=O)CCCCCCN1CCCCCC1

STK550907
Synonyms: 4- [4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]- 2- (3,4- dimethoxyphenyl)- 7- ethoxy- 6- methoxyquinazoline
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CCN(CC1)c1cc(Cl)ccc1C)c1ccc(c(c1)OC)OC

STK550909
Synonyms: 12- benzyl- 9- (benzylsulfanyl)- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclopentan]- 7(12H)- one
Smiles: O=c1n2c(SCc3ccccc3)nnc2n(c2c1C1(CCCC1)Cc1c2cccc1)Cc1ccccc1

STK550910
Synonyms: 2- amino- 1- (4- fluorobenzyl)- N- (4- methoxybenzyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc(cc1)F

STK550915
Synonyms: 3- cyclohexyl- 6- hydroxy- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)- 2- thioxo- 2,3- dihydropyrimidin- 4(1H)- one
Smiles: Oc1[nH]c(=S)n(c(=O)c1C1NCCc2c1cccc2)C1CCCCC1

STK550917
Synonyms: N,N- diethyl- 2- {[6- iodo- 3- (4- methoxyphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)OC)I)CC

STK550919
Synonyms: N- (4- methoxyphenyl)- 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

STK550920
Synonyms: N- (2- ethoxyphenyl)- 11- (2- methoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccccc1Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1OC)C)c1ccccc1

STK550921
Synonyms: N- (4- bromophenyl)- 2- {[8,8- dimethyl- 11- (morpholin- 4- yl)- 7,10- dihydro- 8H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc2n1cnc1c2sc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK550922
Synonyms: 3- [(2,4- dichlorobenzyl)sulfanyl]- 5- (methylsulfanyl)- 10- (propan- 2- yl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1Cl)Cl)nn2)CC(OC3)C(C)C

STK550924
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- (prop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: C=CCn1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550925
Synonyms: N- (3- chloro- 4- methylphenyl)- 11- (3,4- dichlorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1ccc(cc1Cl)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)Cl)Cl)c(nn1c1ccccc1)C

STK550926
Synonyms: N,N,4- tributyl- 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)ncnc3N(CCCC)CCCC

STK550927
Synonyms: N- (4- methoxyphenyl)- 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)OC)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550929
Synonyms: 1- amino- 5- (morpholin- 4- yl)- N- (naphthalen- 1- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1)Nc1cccc2c1cccc2

STK550931
Synonyms: 5- (2- acetyl- 1,2,3,4- tetrahydroisoquinolin- 1- yl)- 3- (4- fluorophenyl)- 6- hydroxypyrimidine- 2,4(1H,3H)- dione
Smiles: Fc1ccc(cc1)n1c(=O)[nH]c(c(c1=O)C1N(CCc2c1cccc2)C(=O)C)O

STK550932
Synonyms: 1- [(4- fluorobenzyl)sulfanyl]- 4- (4- methylphenyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccc(cc1)F

STK550933
Synonyms: 3- (4- chlorophenyl)- 2- [(E)- 2- (1- methyl- 1H- indol- 3- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)n1c(/C=C/c2cn(c3c2cccc3)C)nc2c(c1=O)cccc2

STK550934
Synonyms: N- (3,4- dimethylphenyl)- 10- methyl- 8- phenyl- 11- [4- (propan- 2- yl)phenyl]- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CC(c1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)C)C)c1ccccc1)C

STK550935
Synonyms: 2- {[3- (4- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550936
Synonyms: 5- methyl- 3- phenyl- N- {[2- (pyridin- 3- yl)piperidin- 1- yl]carbamothioyl}- 1,2- oxazole- 4- carboxamide
Smiles: S=C(NN1CCCCC1c1cccnc1)NC(=O)c1c(C)onc1c1ccccc1

STK550938
Synonyms: (2E)- 3- {[2- (difluoromethoxy)phenyl]amino}- 2- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C/Nc1ccccc1OC(F)F)/C#N

STK550939
Synonyms: 2- {[3- (4- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N,N- dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCCC3)CCC

STK550940
Synonyms: ethyl4- ({4- [(4- oxo- 3- phenyl- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]butanoyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CCCSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCC3

STK550941
Synonyms: N- {2- [(2Z)- 2- (4- chlorobenzylidene)hydrazinyl]- 4- (thiophen- 2- yl)- 1,3- thiazol- 5- yl}acetamide
Smiles: CC(=O)Nc1sc(nc1c1cccs1)N/N=C\c1ccc(cc1)Cl

STK550945
Synonyms: 11- (3- methoxyphenyl)- 10- methyl- N- (3- methylphenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1)C)c1ccccc1

STK550946
Synonyms: 2- methoxyethyl2- amino- 1- (2,4- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1C)C

STK550947
Synonyms: 2- [(5- ethyl- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]- N- (4- methylphenyl)acetamide
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)C)nn2)CC(OC3)(C)C

STK550948
Synonyms: 2- imino- 1- methyl- 3- [(4- methylphenyl)sulfonyl]- 1,2- dihydro- 5H- dipyrido[1,2- a:2',3'- d]pyrimidin- 5- one
Smiles: Cc1ccc(cc1)S(=O)(=O)c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1

STK550949
Synonyms: dipropan- 2- yl[hydroxy(3,4,5- trimethoxyphenyl)methyl]phosphonate
Smiles: COc1cc(cc(c1OC)OC)C(P(=O)(OC(C)C)OC(C)C)O

STK550953
Synonyms: N- [(5Z)- 5- (3- ethoxy- 4- hydroxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2- nitrobenzamide
Smiles: CCOc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1[N+](=O)[O-]

STK550954
Synonyms: 11- [4- (dimethylamino)phenyl]- N- (2- ethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccccc1Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)N(C)C)c(nn1c1ccccc1)C

STK550957
Synonyms: 4,6- dimethyl- 2- oxo- N- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)- 2H- pyran- 5- carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)NC12CC3CC(C2)CC(C1)C3

STK550958
Synonyms: 3- ethyl- 2- [(2- methylbenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550959
Synonyms: (5Z)- 5- {2- [(2- chlorobenzyl)oxy]- 5- nitrobenzylidene}- 3- (furan- 2- ylmethyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2cc(ccc2OCc2ccccc2Cl)[N+](=O)[O-])/C(=O)N1Cc1ccco1

STK550960
Synonyms: 3- octyl- 5- (octylsulfanyl)- 1H- 1,2,4- triazole
Smiles: CCCCCCCCSc1[nH]nc(n1)CCCCCCCC

STK550961
Synonyms: (5Z)- 1- (3- chloro- 4- methoxyphenyl)- 5- ({1- [2- (2- methylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2ccccc2C)/C1=O

STK550962
Synonyms: N- (1,3- benzodioxol- 5- yl)- 11- (4- ethylphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc2c(c1)OCO2)c1ccccc1

STK550964
Synonyms: ethyl5- bromo- 3- ({3- [4- (3- chlorophenyl)piperazin- 1- yl]propanoyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1)Cl)cc(cc2)Br

STK550965
Synonyms: N- [3- (dicyclohexylamino)- 2- hydroxypropyl]- N- phenylbenzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccccc1)c1ccccc1)CN(C1CCCCC1)C1CCCCC1

STK550966
Synonyms: (2- bromophenyl)[5- (4- chlorophenyl)- 3- (4- methylphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]methanone
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)Cl)C(=O)c1ccccc1Br

STK550967
Synonyms: 2- (4- {4- [(4- bromophenyl)amino]phthalazin- 1- yl}phenoxy)- 1- (piperidin- 1- yl)ethanone
Smiles: Brc1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(cc1)OCC(=O)N1CCCCC1

STK550968
Synonyms: 4- [(E)- {2- [2- (2- fluorophenyl)quinazolin- 4- yl]hydrazinylidene}methyl]phenol
Smiles: Oc1ccc(cc1)/C=N/Nc1nc(nc2c1cccc2)c1ccccc1F

STK550969
Synonyms: N~6~- (3- bromo- 4- methylphenyl)- N~4~- ethyl- 7- nitro- 2,1,3- benzoxadiazole- 4,6- diamine
Smiles: CCNc1cc(Nc2ccc(c(c2)Br)C)c(c2c1non2)[N+](=O)[O-]

STK550970
Synonyms: 4- butoxy- N'- (4- oxo- 3- phenyl- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)benzohydrazide
Smiles: CCCCOc1ccc(cc1)C(=O)NNc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3

STK550971
Synonyms: 2- {[(2E)- 3- chlorobut- 2- en- 1- yl]sulfanyl}- 6- iodo- 3- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(SC/C=C(/Cl)\C)nc2c(c1=O)cc(cc2)I

STK550972
Synonyms: 4- [(4bR,7aS,8R)- 8- [(4- methoxyphenyl)carbonyl]- 5,7- dioxo- 4b,5,7a,8- tetrahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 6(7H)- yl]phenylacetate
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)OC(=O)C

STK550973
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1Z)- 1- (4- hydroxyphenyl)ethylidene]- 5- (phenoxymethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Oc1ccc(cc1)/C(=N\NC(=O)c1nnn(c1COc1ccccc1)c1nonc1N)/C

STK550975
Synonyms: N- (3,4- dichlorophenyl)- 4- [4- (morpholin- 4- yl)- 3- nitrophenyl]phthalazin- 1- amine
Smiles: [O-][N+](=O)c1cc(ccc1N1CCOCC1)c1nnc(c2c1cccc2)Nc1ccc(c(c1)Cl)Cl

STK550976
Synonyms: 3- (furan- 2- ylmethyl)- 2- (prop- 2- en- 1- ylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK550977
Synonyms: methyl3- (6- chloro- 3- methyl- 2,4- dioxo- 3,4- dihydropyrimido[4,5- b]quinolin- 10(2H)- yl)benzoate
Smiles: COC(=O)c1cccc(c1)n1c2cccc(c2cc2c1nc(=O)n(c2=O)C)Cl

STK550978
Synonyms: (4bR,7aS,8R)- 6- (naphthalen- 1- yl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C([C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc2c1cccc2)c1ccccc1

STK550979
Synonyms: 4- [6- (1H- pyrazol- 1- yl)pyrimidin- 4- yl]morpholine
Smiles: O1CCN(CC1)c1ncnc(c1)n1cccn1

STK550980
Synonyms: ethyl(2Z)- [2- (2- chlorophenyl)hydrazinylidene](3,4- dihydroquinolin- 1(2H)- yl)ethanoate
Smiles: CCOC(=O)/C(=N/Nc1ccccc1Cl)/N1CCCc2c1cccc2

STK550981
Synonyms: 2,9- dimethyl- N'- [(3Z)- 5- methyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]- 9H- imidazo[1,2- a]benzimidazole- 3- carbohydrazide
Smiles: Cc1ccc2c(c1)/C(=N/NC(=O)c1c(C)nc3n1c1ccccc1n3C)/C(=O)N2

STK550983
Synonyms: ethyl3- {[3- (4- benzylpiperazin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)Cc1ccccc1)cccc2

STK550984
Synonyms: 8- cyclohexylidene- 2- [3- (trifluoromethyl)phenyl]- 3a,4,7,7a- tetrahydro- 1H- 4,7- methanoisoindole- 1,3(2H)- dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)C2C1C1C=CC2C1=C1CCCCC1

STK550985
Synonyms: 3- (3,5- dimethylphenyl)- 11- (2- methoxyphenyl)- 2- methyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccccc1n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)c1cc(C)cc(c1)C

STK550986
Synonyms: (5Z)- 1- (4- ethylphenyl)- 5- ({1- [2- (2- methoxyphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2ccccc2OC)/C1=O

STK550987
Synonyms: 3- {4- [(3- carboxyphenyl)amino]- 2- (ethoxycarbonyl)- 2- methyl- 5- oxo- 2,5- dihydro- 1H- pyrrol- 1- yl}benzoicacid
Smiles: CCOC(=O)C1(C)C=C(C(=O)N1c1cccc(c1)C(=O)O)Nc1cccc(c1)C(=O)O

STK550988
Synonyms: N- [2- (naphthalen- 2- yl)imidazo[1,2- a]pyridin- 3- yl]benzamide
Smiles: O=C(c1ccccc1)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK550989
Synonyms: 3- (4- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1ccc(cc1)n1cnc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550990
Synonyms: (2E)- 2- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 3- {[2- (difluoromethoxy)phenyl]amino}prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1OC(F)F)/c1scc(n1)c1ccc(cc1)Cl

STK550991
Synonyms: (5Z)- 5- ({1- [2- (4- bromophenoxy)ethyl]- 1H- pyrrol- 2- yl}methylidene)- 1- (3- chloro- 4- methylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Brc1ccc(cc1)OCCn1cccc1/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C

STK550993
Synonyms: N~4~- (4- methoxyphenyl)- N~2~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(cc1)Nc1nc(Nc2cccc(c2)C)nc(c1[N+](=O)[O-])N

STK550994
Synonyms: 11- (4- fluorophenyl)- 10- methyl- N- (3- methylphenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Fc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1)C)c1ccccc1

STK550995
Synonyms: (1'S,2'S,3R,3a'R)- 1'- (2,2- dimethylpropanoyl)- 2'- [(3- nitrophenyl)carbonyl]- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: O=C([C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C)c1cccc(c1)[N+](=O)[O-]

STK550996
Synonyms: 4- [(E)- {2- [2- (2- fluorophenyl)quinazolin- 4- yl]hydrazinylidene}methyl]benzene- 1,3- diol
Smiles: Oc1ccc(c(c1)O)/C=N/Nc1nc(nc2c1cccc2)c1ccccc1F

STK550997
Synonyms: 3- (4- ethoxyphenyl)- 6- hydroxy- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)- 2- thioxo- 2,3- dihydropyrimidin- 4(1H)- one
Smiles: CCOc1ccc(cc1)n1c(=S)[nH]c(c(c1=O)C1NCCc2c1cccc2)O

STK550998
Synonyms: ethyl4- {2- [(E)- 2- (2- chlorophenyl)ethenyl]- 6- iodo- 4- oxoquinazolin- 3(4H)- yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(/C=C/c2ccccc2Cl)nc2c(c1=O)cc(cc2)I

STK550999
Synonyms: 2- (4- propoxyphenyl)- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexane]
Smiles: CCCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK551000
Synonyms: 4- fluoro- N- ({4- [(2E)- 3- phenylprop- 2- en- 1- yl]piperazin- 1- yl}carbonothioyl)benzamide
Smiles: Fc1ccc(cc1)C(=O)NC(=S)N1CCN(CC1)C/C=C/c1ccccc1

STK551001
Synonyms: [3',5- bis(4- methylphenyl)- 1'- phenyl- 3,4- dihydro- 1'H,2H- 3,4'- bipyrazol- 2- yl](5- bromofuran- 2- yl)methanone
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1cn(nc1c1ccc(cc1)C)c1ccccc1)C(=O)c1ccc(o1)Br

STK551002
Synonyms: 1- amino- 8,8- dimethyl- 5- (morpholin- 4- yl)- N- (2- phenylethyl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1)NCCc1ccccc1

STK551004
Synonyms: (8S,8aR,11aS,11bS)- 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=C1NC(=O)[C@@H]2[C@H]1[C@@H]1N([C@@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2

STK551005
Synonyms: 3- (benzylsulfanyl)- 5- ethyl- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCc1nc2sc3c(c2c2n1c(SCc1ccccc1)nn2)CCC3

STK551006
Synonyms: 2- (4- chlorophenyl)- 3- [6- (2,4,6- trichlorophenoxy)hexyl]quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1c(Cl)cc(cc1Cl)Cl

STK551009
Synonyms: 2- amino- N- (3- methoxypropyl)- 1- (3,4,5- trimethoxyphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COCCCNC(=O)c1c2nc3ccccc3nc2n(c1N)c1cc(OC)c(c(c1)OC)OC

STK551012
Synonyms: 2- [(3- methylbenzyl)sulfanyl]- 3- (2- methylprop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1cccc(c1)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK551013
Synonyms: (2Z)- [2- (4- fluorophenyl)hydrazinylidene][4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)F)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK551014
Synonyms: 3- (2- methylpropyl)- 2- (prop- 2- en- 1- ylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCC3

STK551015
Synonyms: 4- [(E)- {2- [4- (2- nitrophenyl)piperazin- 1- yl]- 4- oxo- 1,3- thiazol- 5(4H)- ylidene}methyl]phenylbenzenesulfonate
Smiles: O=C1N=C(S/C/1=C/c1ccc(cc1)OS(=O)(=O)c1ccccc1)N1CCN(CC1)c1ccccc1[N+](=O)[O-]

STK551019
Synonyms: 1- benzyl- 3- (benzylsulfanyl)- 6,7,8,9- tetrahydro[1]benzothieno[2,3- d][1,2,4]triazolo[4,3- a]pyrimidin- 5(1H)- one
Smiles: O=c1c2c(sc3c2CCCC3)nc2n1c(SCc1ccccc1)nn2Cc1ccccc1

STK551021
Synonyms: N- (2- phenylethyl)- 2- [(2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl)sulfanyl]acetamide
Smiles: O=C(CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C)NCCc1ccccc1

STK551022
Synonyms: 6- iodo- 3- (2- methylphenyl)- 2- {[2- (morpholin- 4- yl)- 2- oxoethyl]sulfanyl}quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SCC(=O)N1CCOCC1)c1ccccc1C

STK551024
Synonyms: 8- amino- 7- methyl- 3- (prop- 2- en- 1- yl)- 2- thioxo- 2,3- dihydrobenzo[g]pteridin- 4(1H)- one
Smiles: C=CCn1c(=S)[nH]c2c(c1=O)nc1c(n2)cc(c(c1)C)N

STK551026
Synonyms: (4bR,7aS,8R)- 6- (2- methyl- 4- nitrophenyl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C1[C@H]2[C@@H](C(=O)N1c1ccc(cc1C)[N+](=O)[O-])C1N([C@H]2C(=O)c2ccccc2)N=CC=C1

STK551027
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 11- (3- methoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1cccc(c1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(c(c1)Cl)OC)nc1c2cccc1

STK551028
Synonyms: (5Z)- 1- [4- (butan- 2- yl)phenyl]- 5- {[1- (2- chlorobenzyl)- 1H- indol- 3- yl]methylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccccc2Cl)/C1=O)C

STK551030
Synonyms: 11- (3- chloro- 4- methoxyphenyl)- 2- ethyl- 3- (2- methoxyethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)Cl)OC

STK551032
Synonyms: N- [(9,10- dioxo- 9,10- dihydroanthracen- 2- yl)carbamothioyl]- 4- methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)NC(=S)Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1

STK551034
Synonyms: 1- {[2- (4- fluorophenyl)- 2- oxoethyl]sulfanyl}- 4- phenyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Fc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3

STK551037
Synonyms: 3- bromo- N- [4- (octyloxy)phenyl]- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: CCCCCCCCOc1ccc(cc1)NC(=O)c1coc(=O)c(c1)Br

STK551038
Synonyms: N- (4- bromophenyl)- 2- {[6,6- dimethyl- 4- oxo- 3- (prop- 2- en- 1- yl)- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)Br)nc2c(c1=O)c1CC(C)(C)SCc1s2

STK551039
Synonyms: 6- [9- bromo- 2- (pyridin- 3- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl]- 2,3- dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1cccnc1)Br

STK551040
Synonyms: 6- chloro- 2- [(2Z)- 2- (3,5- diphenylcyclohex- 2- en- 1- ylidene)hydrazinyl]- 4- phenylquinazoline
Smiles: Clc1ccc2c(c1)c(nc(n2)N/N=C\1/CC(CC(=C1)c1ccccc1)c1ccccc1)c1ccccc1

STK551041
Synonyms: 3- [(4- bromobenzyl)sulfanyl]- 5- (methylsulfanyl)- 10- (propan- 2- yl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)Br)nn2)CC(OC3)C(C)C

STK551043
Synonyms: 4- (butylsulfanyl)- 6- ethyl- 6- methyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCCSc1nc(SC)nc2c1c1CC(C)(CC)OCc1s2

STK551046
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- (2- fluorophenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Fc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2

STK551049
Synonyms: 3- (2- methoxyphenyl)- 11- [2- (4- methoxyphenyl)ethyl]- 2- methyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccc(cc1)CCn1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)c1ccccc1OC

STK551050
Synonyms: 7- {[2- (3,4- dihydroisoquinolin- 2(1H)- yl)ethyl]amino}- 3- methyl- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: Cc1ccc2c(c1)oc1c([nH]2)c2c(c(c1)NCCN1CCc3c(C1)cccc3)c(=O)c1c(c2=O)cccc1

STK551051
Synonyms: 2- amino- 1- (1,3- benzodioxol- 5- ylmethyl)- N- (3- methoxypropyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc2c(c1)OCO2

STK551053
Synonyms: 2- {(2E)- 2- [(2- chloro- 6- methoxyquinolin- 3- yl)methylidene]hydrazinyl}- 4- phenylquinazoline
Smiles: COc1ccc2c(c1)cc(c(n2)Cl)/C=N/Nc1nc2ccccc2c(n1)c1ccccc1

STK551054
Synonyms: (2E)- 3- (4- bromophenyl)- N- [(2- {[(1S,2S)- 2- phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]prop- 2- enamide
Smiles: S=C(NC(=O)/C=C/c1ccc(cc1)Br)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK551055
Synonyms: [3- (4- bromophenyl)- 5- (furan- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl](furan- 2- yl)methanone
Smiles: Brc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)c1ccco1

STK551056
Synonyms: 3- [(4- fluorobenzyl)sulfanyl]- 5- (methylsulfanyl)- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)F)nn2)CCC3

STK551057
Synonyms: 6- iodo- 3- (2- methylprop- 2- en- 1- yl)- 2- (propylsulfanyl)quinazolin- 4(3H)- one
Smiles: CCCSc1nc2ccc(cc2c(=O)n1CC(=C)C)I

STK551058
Synonyms: (4aR,4bS,7aR,8S)- 6- phenyl- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1)c1ccccc1

STK551059
Synonyms: 4- [4- (diphenylmethyl)piperazin- 1- yl]- 2- (2- fluorophenyl)quinazoline
Smiles: Fc1ccccc1c1nc2ccccc2c(n1)N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK551060
Synonyms: (6aS,6bR,9aS,10R)- 8- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- N- (4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: O=C([C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)C=Cc1c2cccc1)Nc1ccc(cc1)[N+](=O)[O-]

STK551062
Synonyms: 2- [(4- amino- 6,8- diphenyl- 5,8- dihydro- 6H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (2- methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1

STK551063
Synonyms: dimethyl5- ({(Z)- 2- cyano- 2- [4- (2,4- 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(cc1C)C

STK551065
Synonyms: 3- [4- (dimethylamino)phenyl]- 2- phenyl- 5- (4- propoxyphenyl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)N(C)C

STK551066
Synonyms: (2E)- 2- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]- 3- [(3,4,5- trimethoxyphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(c(c1)OC)OC)/c1scc(n1)c1ccc(cc1)CC

STK551067
Synonyms: 2- chloro- 3- [(E)- hydrazinylidenemethyl]- 7- methoxyquinoline
Smiles: N/N=C/c1cc2ccc(cc2nc1Cl)OC

STK551070
Synonyms: 1- benzyl- N- cyclopentyl- 2- imino- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: O=C(c1cc2c(n(c1=N)Cc1ccccc1)nc1n(c2=O)cccc1C)NC1CCCC1

STK551072
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- chloro- 4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)C)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1

STK551073
Synonyms: 2- {[6,6- dimethyl- 4- oxo- 3- (prop- 2- en- 1- yl)- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- phenylacetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)c1CC(C)(C)SCc1s2

STK551074
Synonyms: 2- [(3- benzyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N,N- dibutylacetamide
Smiles: CCCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3)CCCC

STK551075
Synonyms: 2- [(3- benzyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCC3

STK551077
Synonyms: 11- benzyl- 3- (2,5- dichlorophenyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Clc1ccc(c(c1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1)Cl

STK551078
Synonyms: 2- chloro- N- [2- (naphthalen- 2- yl)imidazo[1,2- a]pyridin- 3- yl]benzamide
Smiles: O=C(c1ccccc1Cl)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK551079
Synonyms: ethyl4- {[11- (3,4- dichlorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)Cl)Cl)c(nn1c1ccccc1)C

STK551080
Synonyms: N,N- dibutyl- 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]acetamide
Smiles: CCCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC)CCCC3)CCCC

STK551081
Synonyms: 2- [(E)- 2- (4- methylphenyl)ethenyl]- 3- (naphthalen- 2- yl)quinazolin- 4(3H)- one
Smiles: Cc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1ccc2c(c1)cccc2

STK551082
Synonyms: N- (2,3- dimethylphenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)C)nnc1c1cccnc1

STK551083
Synonyms: 4- [(E)- (2- {[4- (2- chlorobenzyl)piperazin- 1- yl]acetyl}hydrazinylidene)methyl]- 2,6- dimethoxyphenylacetate
Smiles: COc1cc(/C=N/NC(=O)CN2CCN(CC2)Cc2ccccc2Cl)cc(c1OC(=O)C)OC

STK551084
Synonyms: 1- (4- {[7- (3- methylpiperidin- 1- yl)- 4- nitro- 2,1,3- benzoxadiazol- 5- yl]amino}phenyl)ethanone
Smiles: CC1CCCN(C1)c1cc(Nc2ccc(cc2)C(=O)C)c(c2c1non2)[N+](=O)[O-]

STK551085
Synonyms: 5- [(4- ethoxyphenyl)amino]- 5- oxo- 2- propylpentanoicacid
Smiles: CCCC(C(=O)O)CCC(=O)Nc1ccc(cc1)OCC

STK551087
Synonyms: (8R,8aS,11aR)- 10- (3- fluorophenyl)- 8- [(4- methoxyphenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)F)cccc3

STK551090
Synonyms: 2- [(5Z)- 5- (2- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoicacid
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)C(C(=O)O)C

STK551093
Synonyms: 1,5- bis(2- methoxyphenyl)- 3- (phenylcarbonyl)- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: COc1ccccc1N1N=C(C2C1C(=O)N(C2=O)c1ccccc1OC)C(=O)c1ccccc1

STK551094
Synonyms: 4- butyl- 7- [(2,2- diethoxyethyl)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)ncnc3SCC(OCC)OCC

STK551095
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- methoxy- 5- methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1)C

STK551096
Synonyms: N- (3- chloro- 4- methylphenyl)- 10- methyl- 8,11- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1nn(c2c1C(c1ccccc1)n1c(=N2)c(Nc2ccc(c(c2)Cl)C)nc2c1cccc2)c1ccccc1

STK551097
Synonyms: 3,5- dimethoxy- N- [(2- {[(1S,2S)- 2- phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]benzamide
Smiles: COc1cc(OC)cc(c1)C(=O)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK551101
Synonyms: 6- chloro- N- ({2- [(5- methyl- 3- phenyl- 1,2- oxazol- 4- yl)carbonyl]hydrazinyl}carbonothioyl)pyridine- 3- carboxamide
Smiles: S=C(NC(=O)c1ccc(nc1)Cl)NNC(=O)c1c(C)onc1c1ccccc1

STK551103
Synonyms: 3- imino- 1- methyl- 5,7- dipropyl- 2,6- dioxabicyclo[2.2.2]octane- 4,8,8- tricarbonitrile
Smiles: CCCC1C2(C)OC(C(C1(C#N)C#N)(C(=N)O2)C#N)CCC

STK551104
Synonyms: (2Z)- 3- [3- methoxy- 4- (2- oxo- 2- phenylethoxy)phenyl]- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)OC)OCC(=O)c1ccccc1)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK551105
Synonyms: 3- fluoro- N- [(2- {[(1S,2S)- 2- phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]benzamide
Smiles: S=C(NC(=O)c1cccc(c1)F)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK551106
Synonyms: 3- bromo- N- (4- methoxyphenyl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1coc(=O)c(c1)Br

STK551107
Synonyms: N- (furan- 2- ylmethyl)- 5- nitro- 2- (pyrrolidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(NCc2ccco2)nc(nc1N)N1CCCC1

STK551108
Synonyms: 2- [(3- methylbenzyl)sulfanyl]- 3- (prop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: C=CCn1c(SCc2cccc(c2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK551109
Synonyms: (8R,8aS,11aR)- 8- (2,2- dimethylpropanoyl)- 10- (4- methoxyphenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=N1)C(=O)C(C)(C)C

STK551110
Synonyms: 4- bromo- 2- {6- [(3- chloro- 4- methylphenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}phenol
Smiles: Brc1ccc(c(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)Cl)C)c1ccccc1)O

STK551114
Synonyms: 2- [(4- tert- butylphenoxy)methyl]- 1- (2- cyclohexylethyl)- 1H- benzimidazole
Smiles: CC(c1ccc(cc1)OCc1nc2c(n1CCC1CCCCC1)cccc2)(C)C

STK551115
Synonyms: ethyl1- benzyl- 2- imino- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: CCOC(=O)c1cc2c(n(c1=N)Cc1ccccc1)nc1n(c2=O)cccc1C

STK551118
Synonyms: 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]- N- phenylacetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551119
Synonyms: N- (2,4- dimethylphenyl)- N- [(2- hydroxy- 6- methylquinolin- 3- yl)methyl]- 2- methylbenzamide
Smiles: Cc1ccc(c(c1)C)N(C(=O)c1ccccc1C)Cc1cc2cc(C)ccc2nc1O

STK551121
Synonyms: 2- (ethylsulfanyl)- 3- (2- methylpropyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK551122
Synonyms: N- (4- chlorophenyl)- 2- {[5- (methylsulfanyl)- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)Cl)nn2)CCC3

STK551124
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- (2- ethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCC(OC(=O)c1c2nc3ccccc3nc2n(c1N)c1ccccc1CC)C

STK551126
Synonyms: 2- (propan- 2- ylsulfanyl)- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCn1c(SC(C)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551128
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1E)- 1- {4- [(4- bromobenzyl)oxy]phenyl}ethylidene]- 5- (3- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Brc1ccc(cc1)COc1ccc(cc1)/C(=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N)/C

STK551129
Synonyms: 2- [(7,7- dimethyl- 5- oxo- 4- phenyl- 4,5,6,9- tetrahydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl)sulfanyl]- N- (1- phenylpropan- 2- yl)acetamide
Smiles: O=C(NC(Cc1ccccc1)C)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CC(OC3)(C)C

STK551131
Synonyms: prop- 2- en- 1- yl[3- (azepan- 1- yl)quinoxalin- 2- yl](cyano)acetate
Smiles: C=CCOC(=O)C(c1nc2ccccc2nc1N1CCCCCC1)C#N

STK551132
Synonyms: 3- (4- bromophenyl)- 7- (4- fluorophenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: Fc1ccc(cc1)N1C(=O)CC2(C1=O)ON=C(C2)c1ccc(cc1)Br

STK551133
Synonyms: 4- butyl- 7- [(2,4- dichlorobenzyl)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)ncnc3SCc1ccc(cc1Cl)Cl

STK551134
Synonyms: (3aR,6aS)- 5- (2- methyl- 5- nitrophenyl)- 3- (3- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Cc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK551135
Synonyms: (8R,8aS,11aR)- N- (4- chlorophenyl)- 10- (naphthalen- 1- yl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 8- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc2c1cccc2)cccc3

STK551136
Synonyms: ethyl5,6- dimethoxy- 3- {[3- (piperidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCCC1)cc(c(c2)OC)OC

STK551140
Synonyms: N- (naphthalen- 1- yl)- 2- [(5- oxo- 4- phenyl- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl)sulfanyl]acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3

STK551141
Synonyms: 2- (4- {4- [(3,4- dichlorophenyl)amino]phthalazin- 1- yl}phenoxy)- 1- (piperidin- 1- yl)ethanone
Smiles: O=C(N1CCCCC1)COc1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc(c(c1)Cl)Cl

STK551142
Synonyms: 2- methoxyethyl2- amino- 1- (4- chloro- 3- nitrophenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)[N+](=O)[O-])Cl

STK551143
Synonyms: (5Z)- 2- [(4- fluorophenyl)amino]- 5- (2- methoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1ccccc1/C=C/1\SC(=NC1=O)Nc1ccc(cc1)F

STK551144
Synonyms: 11- (3- chlorophenyl)- 10- methyl- N,8- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Clc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccccc1)c1ccccc1

STK551145
Synonyms: 4- butyl- N- (2- phenylethyl)- 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)ncnc3NCCc1ccccc1

STK551146
Synonyms: N- (4- chlorophenyl)- 11- (furan- 2- yl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Clc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccco1)C)c1ccccc1

STK551147
Synonyms: ethyl{[5- (2- chlorophenyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1Cl

STK551148
Synonyms: N- benzyl- 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3)NCc1ccccc1

STK551149
Synonyms: N- (3- chloro- 4- methylphenyl)- 11- (2- fluorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Fc1ccccc1C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)Cl)C)c1ccccc1

STK551151
Synonyms: 8- chloro- 10- (3- chlorophenyl)pyrimido[4,5- b]quinoline- 2,4(3H,10H)- dione
Smiles: Clc1cccc(c1)n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O

STK551153
Synonyms: 1- (4- {[6- methyl- 2- (morpholin- 4- yl)- 5- nitropyrimidin- 4- yl]oxy}phenyl)ethanone
Smiles: [O-][N+](=O)c1c(Oc2ccc(cc2)C(=O)C)nc(nc1C)N1CCOCC1

STK551154
Synonyms: 4- [(2E)- 2- (2,4- dichlorobenzylidene)hydrazinyl]- 2- (2- fluorophenyl)quinazoline
Smiles: Clc1ccc(c(c1)Cl)/C=N/Nc1nc(nc2c1cccc2)c1ccccc1F

STK551155
Synonyms: 3- (2- chlorophenyl)- 2- phenyltetrahydro- 1H,5H- pyrazolo[1,2- a][1,2,4]triazol- 1- one
Smiles: O=C1N(c2ccccc2)C(N2N1CCC2)c1ccccc1Cl

STK551157
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(3,4- dimethoxyphenyl)carbonyl]- 3'- (2,2- dimethylpropanoyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1ccc(cc1OC)C(=O)[C@@H]1[C@H](N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C(=O)C(C)(C)C

STK551158
Synonyms: 2- {[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N'- [(E)- (3,4- dichlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccccc1)N/N=C/c1ccc(c(c1)Cl)Cl

STK551159
Synonyms: (8S,8aR,11aS,11bS)- 8- (2,2- dimethylpropanoyl)- 10- (naphthalen- 1- yl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C1[C@H]2[C@@H](C(=O)N1c1cccc3c1cccc3)[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C(C)(C)C

STK551160
Synonyms: (5E)- 1- (2- ethylphenyl)- 5- (thiophen- 2- ylmethylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccs2)/C1=O

STK551161
Synonyms: 8- chloro- 10- (methylsulfanyl)- 5- (propan- 2- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CSc1nc(Cl)c2c(n1)c1c(s2)nc(c2c1CCCC2)C(C)C

STK551162
Synonyms: N- carbamoyl- 4- ({(E)- 2- cyano- 2- [4- (naphthalen- 1- yl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)NC(=O)N)/c1scc(n1)c1cccc2c1cccc2

STK551164
Synonyms: 2- (3,4- dimethoxyphenyl)- 4- (1,4- dioxa- 8- azaspiro[4.5]dec- 8- yl)- 7- ethoxy- 6- methoxyquinazoline
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CCC2(CC1)OCCO2)c1ccc(c(c1)OC)OC

STK551165
Synonyms: 2- [(10- butyl- 7,8,9,11a- tetrahydro- 6bH- cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]- N- phenylacetamide
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncn1c3nnc1SCC(=O)Nc1ccccc1

STK551166
Synonyms: 4- [2- (4- ethylphenyl)- 5,6- diphenyl- 1H- imidazo[1,2- a]imidazol- 1- yl]butan- 1- ol
Smiles: OCCCCn1c(cn2c1nc(c2c1ccccc1)c1ccccc1)c1ccc(cc1)CC

STK551167
Synonyms: 2- [(E)- 2- (4- bromophenyl)ethenyl]- 6- iodo- 3- (naphthalen- 2- yl)quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(cc1)Br)c1ccc2c(c1)cccc2

STK551168
Synonyms: tert- butyl(2'R,3'R)- 2'- (4- methoxyphenyl)- 2,2- dimethyl- 4,6- dioxo- 2',3'- dihydro- 10b'H- spiro[1,3- dioxane- 5,1'- pyrrolo[2,1- a]phthalazine]- 3'- carboxylate
Smiles: COc1ccc(cc1)[C@H]1[C@H](C(=O)OC(C)(C)C)N2C(C31C(=O)OC(OC3=O)(C)C)c1ccccc1C=N2

STK551170
Synonyms: 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]- N- phenylpropanamide
Smiles: CCn1c(SC(C(=O)Nc2ccccc2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551171
Synonyms: prop- 2- en- 1- yl2- amino- 1- (2,4- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: C=CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1C)C

STK551173
Synonyms: 5- [3- (3,4- dimethoxyphenyl)- 5- (2- fluorophenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 5- oxopentanoicacid
Smiles: COc1ccc(cc1OC)C1=NN(C(C1)c1ccccc1F)C(=O)CCCC(=O)O

STK551175
Synonyms: 2,6- dimethoxy- N- [(2- {[(1S,2S)- 2- phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]benzamide
Smiles: COc1cccc(c1C(=O)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1)OC

STK551176
Synonyms: 2- (4- benzylpiperazin- 1- yl)- N'- [(Z)- (2- methoxynaphthalen- 1- yl)methylidene]acetohydrazide
Smiles: COc1ccc2c(c1/C=N\NC(=O)CN1CCN(CC1)Cc1ccccc1)cccc2

STK551177
Synonyms: 9- (2- chlorophenyl)- 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(9H)- one
Smiles: Clc1ccccc1n1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK551178
Synonyms: N- {(1E)- 1- (3,4- diethoxyphenyl)- 3- [(2- hydroxyethyl)amino]- 3- oxoprop- 1- en- 2- yl}- 2- methylbenzamide
Smiles: OCCNC(=O)/C(=C\c1ccc(c(c1)OCC)OCC)/NC(=O)c1ccccc1C

STK551180
Synonyms: (2Z)- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl][2- (4- fluorophenyl)hydrazinylidene]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)F)/c1scc(n1)c1ccc(c(c1)OC)OC

STK551181
Synonyms: N- (4- chlorophenyl)- 5- nitro- 2- (piperidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: Clc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1

STK551182
Synonyms: N~6~- (2- iodophenyl)- N~4~,N~4~- dimethyl- 7- nitro- 2,1,3- benzoxadiazole- 4,6- diamine
Smiles: [O-][N+](=O)c1c(Nc2ccccc2I)cc(c2c1non2)N(C)C

STK551183
Synonyms: propan- 2- yl1- (3- acetylphenyl)- 2- amino- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cccc(c1)C(=O)C)C

STK551184
Synonyms: 2- [(5- ethyl- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]- 1- phenylethanone
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)c1ccccc1)nn2)CCC3

STK551185
Synonyms: 4- {6- [(3,5- dimethylphenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}benzene- 1,3- diol
Smiles: Oc1ccc(c(c1)O)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cc(C)cc(c1)C)c1ccccc1

STK551186
Synonyms: 2- {[6- iodo- 3- (4- methoxyphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N,N- dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)OC)I)CCC

STK551187
Synonyms: ethyl4- (4- chlorophenyl)- 5- cyano- 6- [(2- oxo- 2- {[3- (trifluoromethyl)phenyl]amino}ethyl)sulfanyl]- 2- phenyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: CCOC(=O)C1=C(NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1cccc(c1)C(F)(F)F)c1ccccc1

STK551189
Synonyms: {[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetonitrile
Smiles: N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK551190
Synonyms: 2- [(4- methylbenzyl)sulfanyl]- 3- (prop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: C=CCn1c(SCc2ccc(cc2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551191
Synonyms: (8R,8aS,11aR)- 10- (2- fluorophenyl)- 8- [(4- methoxyphenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1F)cccc3

STK551193
Synonyms: 12- methyl- 9- (methylsulfanyl)- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclohexan]- 7(12H)- one
Smiles: CSc1nnc2n1c(=O)c1c(n2C)c2ccccc2CC21CCCCC2

STK551196
Synonyms: (4bR,7aS,8R)- 6- (3- chlorophenyl)- 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)c1cccc(c1)Cl

STK551197
Synonyms: (2E)- 2- cyano- N- (2,3- dimethylphenyl)- 2- [4- oxo- 3- phenyl- 5- (prop- 2- en- 1- yl)- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: C=CCC1S/C(=C(/C(=O)Nc2cccc(c2C)C)\C#N)/N(C1=O)c1ccccc1

STK551200
Synonyms: 1- (4- bromophenyl)- 2- {[14- (3,4- diethoxyphenyl)- 2,3- diethoxy- 5,6- dihydrobenzo[6,7]indolo[2,1- a]isoquinolin- 12- yl]oxy}ethanone
Smiles: CCOc1cc(ccc1OCC)c1c2cc(OCC(=O)c3ccc(cc3)Br)c3c(c2n2c1c1cc(OCC)c(cc1CC2)OCC)cccc3

STK551201
Synonyms: N- benzyl- 2- (morpholin- 4- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(NCc2ccccc2)nc(nc1N)N1CCOCC1

STK551202
Synonyms: 3- (4- methoxyphenyl)- 2- {[2- oxo- 2- (piperidin- 1- yl)ethyl]sulfanyl}- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: COc1ccc(cc1)n1c(SCC(=O)N2CCCCC2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551203
Synonyms: (8R,8aS,11aR)- N- (4- chlorophenyl)- 10- (2- fluorophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 8- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1F)cccc3

STK551204
Synonyms: 2- amino- N- (2,5- dimethylphenyl)- 1- (4- ethoxyphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCOc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)Nc1cc(C)ccc1C

STK551205
Synonyms: 5- (4- bromophenyl)- 3- (4- fluorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Fc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)Br

STK551206
Synonyms: 1,8- bis(4- butoxyphenyl)- 2,7- bis[(diethylamino)methyl]octane- 1,8- dione
Smiles: CCN(CC(C(=O)c1ccc(cc1)OCCCC)CCCCC(C(=O)c1ccc(cc1)OCCCC)CN(CC)CC)CC

STK551207
Synonyms: 4- ({(1'S,2'S,3R,3a'R)- 2'- [(4- chlorophenyl)carbonyl]- 2- oxo- 1,1',2,2'- tetrahydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 1'- yl}carbonyl)phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccc(cc1)Cl)C(=O)Nc1c2cccc1

STK551208
Synonyms: 2- (2- {[6,6- dimethyl- 3- (4- methylphenyl)- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}ethyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: Cc1ccc(cc1)n1c(SCCN2C(=O)c3c(C2=O)cccc3)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK551210
Synonyms: (2'R,3'R)- N- (4- chlorophenyl)- 2'- (3- nitrophenyl)- 1,3- dioxo- 1,2',3,3'- tetrahydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 3'- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)cccc3

STK551211
Synonyms: N- ({4- [(2,6- dimethoxypyrimidin- 4- yl)sulfamoyl]phenyl}carbamothioyl)- 5- methyl- 3- phenyl- 1,2- oxazole- 4- carboxamide
Smiles: COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1c(C)onc1c1ccccc1

STK551214
Synonyms: 4- benzyl- 2,6- bis(4- methoxyphenyl)- 3,5- dimethylpiperidin- 4- ol
Smiles: COc1ccc(cc1)C1NC(c2ccc(cc2)OC)C(C(C1C)(O)Cc1ccccc1)C

STK551215
Synonyms: 4- bromo- 2- {6- [(2,5- dimethylphenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}phenol
Smiles: Brc1ccc(c(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cc(C)ccc1C)c1ccccc1)O

STK551216
Synonyms: 2- {[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK551218
Synonyms: N- (furan- 2- ylmethyl)- 2- (4- methylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CCN(CC1)c1nc(NCc2ccco2)c(c(n1)N)[N+](=O)[O-]

STK551219
Synonyms: 5- (2- chlorophenyl)- 3- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Clc1ccccc1c1nc2sc3c(c2c2n1c(C)nn2)CCCC3

STK551220
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1E)- 1- (1,3- benzodioxol- 5- yl)ethylidene]- 5- (phenoxymethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1COc1ccccc1)c1nonc1N)N/N=C(/c1ccc2c(c1)OCO2)\C

STK551221
Synonyms: N,N- diethyl- 2- {[6- iodo- 3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nc2ccc(cc2c(=O)n1CC(=C)C)I)CC

STK551222
Synonyms: 2- (2- fluorophenyl)- 4- [(2E)- 2- (4- methoxybenzylidene)hydrazinyl]quinazoline
Smiles: COc1ccc(cc1)/C=N/Nc1nc(nc2c1cccc2)c1ccccc1F

STK551225
Synonyms: 3- (dec- 9- en- 1- yl)- 5- (dodecylsulfanyl)- 1H- 1,2,4- triazole
Smiles: CCCCCCCCCCCCSc1[nH]nc(n1)CCCCCCCCC=C

STK551227
Synonyms: 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC)CCCC3

STK551228
Synonyms: ethyl4- [({(2E)- 2- [(3- hydroxyphenyl)imino]- 4- oxo- 1,3- thiazolidin- 5- yl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CC1S/C(=N/c2cccc(c2)O)/NC1=O

STK551229
Synonyms: N- [3- (dibutylamino)- 2- hydroxypropyl]- 4- nitro- N- phenylbenzenesulfonamide
Smiles: CCCCN(CC(CN(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1)O)CCCC

STK551230
Synonyms: N- {3- [bis(2- methylpropyl)amino]- 2- hydroxypropyl}- N- (4- methoxyphenyl)benzenesulfonamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccccc1)CC(CN(CC(C)C)CC(C)C)O

STK551235
Synonyms: ethyl7- ({[4- (4- fluorophenyl)piperazin- 1- yl]acetyl}amino)- 5H- [1,3]dioxolo[4,5- f]indole- 6- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1ccc(cc1)F)cc1c(c2)OCO1

STK551236
Synonyms: (6aS,6bR,9aS,10R)- N- (4- nitrophenyl)- 7,9- dioxo- 8- [3- (trifluoromethyl)phenyl]- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: O=C([C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)C(F)(F)F)C=Cc1c2cccc1)Nc1ccc(cc1)[N+](=O)[O-]

STK551237
Synonyms: 2- (3- methylphenoxy)- N- {2- oxo- 2- [(2E)- 2- (1- phenylpropan- 2- ylidene)hydrazinyl]ethyl}acetamide(non- preferredname)
Smiles: O=C(N/N=C(/Cc1ccccc1)\C)CNC(=O)COc1cccc(c1)C

STK551238
Synonyms: 3- benzyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: O=c1n(cnc2c1C1(CCCCC1)Cc1c2cccc1)Cc1ccccc1

STK551240
Synonyms: 1- (4- bromophenyl)- 2- {[5- (2- chlorophenyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}ethanone
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1Cl

STK551241
Synonyms: 5- (2- chlorophenyl)- 3- [(3- fluorobenzyl)sulfanyl]- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Fc1cccc(c1)CSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1Cl

STK551242
Synonyms: (5Z)- 1- (4- fluorophenyl)- 5- ({1- [3- (3- methylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2cccc(c2)C)/C1=O

STK551244
Synonyms: 9- [(4- bromobenzyl)sulfanyl]- 8- methyl- 5,8- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7(6H)- one
Smiles: Brc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1C)CCc1c3cccc1

STK551246
Synonyms: (4bR,7aS,8R)- 6- (4- methoxyphenyl)- 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)OC

STK551248
Synonyms: 7- butoxy- 4- butyl- 2,3,5a,10b- tetrahydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCCCOc1ncnc2c1SC1C2C2=C(C(=N1)CCCC)CCC2

STK551250
Synonyms: 7- (methylsulfanyl)- 4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CSc1ncnc2c1sc1c2c2CCCc2c(n1)C(C)C

STK551251
Synonyms: N- [4- (benzyloxy)phenyl]- 2- [4- (cyanomethyl)piperazin- 1- yl]acetamide
Smiles: N#CCN1CCN(CC1)CC(=O)Nc1ccc(cc1)OCc1ccccc1

STK551252
Synonyms: 3- (butylsulfanyl)- 11- propyl- 7,8,9,10- tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CCCCSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)CCC

STK551253
Synonyms: N- (2- methoxyphenyl)- 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccccc1NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK551254
Synonyms: (5Z)- 5- {[1- (2,4- dichlorobenzyl)- 1H- indol- 3- yl]methylidene}- 1- (4- ethylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccc(cc2Cl)Cl)/C1=O

STK551256
Synonyms: 2- [2- ({4- amino- 6- [(2- fluorophenyl)amino]- 5- nitropyrimidin- 2- yl}amino)ethoxy]ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)Nc1ccccc1F)[N+](=O)[O-]

STK551257
Synonyms: 12- propyl- 9- (propylsulfanyl)- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclohexan]- 7(12H)- one
Smiles: CCCn1c2c3ccccc3CC3(c2c(=O)n2c1nnc2SCCC)CCCCC3

STK551258
Synonyms: N'- [(1E)- 1- (4- chlorophenyl)ethylidene]- 2- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)acetohydrazide
Smiles: Clc1ccc(cc1)/C(=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)/C

STK551260
Synonyms: prop- 2- en- 1- yl2- amino- 1- [3- (trifluoromethyl)phenyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: C=CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cccc(c1)C(F)(F)F

STK551261
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- 9- (naphthalen- 1- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8(9H)- one
Smiles: O=c1c2sc3c(c2ncn1c1cccc2c1cccc2)c1CC(C)(C)OCc1c(n3)N1CCOCC1

STK551264
Synonyms: N~6~- (2,3- dichlorophenyl)- N~4~,N~4~- dimethyl- 7- nitro- 2,1,3- benzoxadiazole- 4,6- diamine
Smiles: [O-][N+](=O)c1c(Nc2cccc(c2Cl)Cl)cc(c2c1non2)N(C)C

STK551265
Synonyms: 3- {[7- (diethylamino)- 4- nitro- 2,1,3- benzoxadiazol- 5- yl]amino}phenol
Smiles: CCN(c1cc(Nc2cccc(c2)O)c(c2c1non2)[N+](=O)[O-])CC

STK551266
Synonyms: ethyl5,6- dimethoxy- 3- [(morpholin- 4- ylacetyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCOCC1)cc(c(c2)OC)OC

STK551267
Synonyms: 5,5,8- trimethyl- 2- (morpholin- 4- yl)- 5,6- dihydro- 3H- pyrano[4''',3''':4'',5'']pyrido[3'',2'':4',5']thieno[3',2':4,5]pyrimido[1,6- a]benzimidazole
Smiles: Cc1nc2c3c(sc2c2n1c1ccccc1n2)nc(c1c3CC(C)(C)OC1)N1CCOCC1

STK551269
Synonyms: 2- (propoxycarbonyl)phenyl4- (4- nitrophenyl)- 3a,4,5,9b- tetrahydro- 3H- cyclopenta[c]quinoline- 8- carboxylate
Smiles: CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C=CCC1C(N2)c1ccc(cc1)[N+](=O)[O-]

STK551270
Synonyms: ethyl7- {[(4- phenylpiperazin- 1- yl)acetyl]amino}- 5H- [1,3]dioxolo[4,5- f]indole- 6- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1ccccc1)cc1c(c2)OCO1

STK551271
Synonyms: 2- {[6- iodo- 3- (3- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nc2ccc(cc2c(=O)n1c1cccc(c1)C)I

STK551272
Synonyms: N- (2- phenylethyl)- 2- {[4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl]sulfanyl}acetamide
Smiles: O=C(CSc1ncnc2c1sc1c2c2CCCc2c(n1)C(C)C)NCCc1ccccc1

STK551273
Synonyms: 2- methoxyethyl2- amino- 1- (3,4- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)C)C

STK551274
Synonyms: 2- ethyl- 11- hexyl- 3- (2- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCCCCCn1c2nc(CC)n(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1

STK551278
Synonyms: 2- {[3- (4- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551279
Synonyms: 11- hexyl- 2- methyl- 3- (2- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCCCCCn1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1

STK551280
Synonyms: 2- amino- 1- butyl- N- [2- (3,4- dimethoxyphenyl)ethyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCc1ccc(c(c1)OC)OC

STK551282
Synonyms: N~6~- (2,5- dimethylphenyl)- N~4~- ethyl- 7- nitro- 2,1,3- benzoxadiazole- 4,6- diamine
Smiles: CCNc1cc(Nc2cc(C)ccc2C)c(c2c1non2)[N+](=O)[O-]

STK551283
Synonyms: 2- amino- N,1- bis[2- (3,4- dimethoxyphenyl)ethyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COc1ccc(cc1OC)CCNC(=O)c1c2nc3ccccc3nc2n(c1N)CCc1ccc(c(c1)OC)OC

STK551284
Synonyms: (5Z)- 5- ({1- [2- (2,6- dimethylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 1- (4- fluorophenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2c(C)cccc2C)/C1=O

STK551286
Synonyms: 2- {[2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: CSc1nc(SCC(=O)Nc2cccc3c2cccc3)c2c(n1)sc1c2CCCC1

STK551287
Synonyms: (4bR,7aS,8R)- 6- (4- acetylphenyl)- 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)C(=O)C

STK551289
Synonyms: ethyl5,6- dimethoxy- 3- {[(1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)acetyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CC3(CC1CC(C3)(C)C)C)cc(c(c2)OC)OC

STK551291
Synonyms: N- (1,3- benzodioxol- 5- ylmethyl)- N- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)thiophene- 2- carboxamide
Smiles: O=C(N(C1CCOC(C1)(C)C)Cc1ccc2c(c1)OCO2)c1cccs1

STK551294
Synonyms: 3- (furan- 2- ylmethyl)- 2- (prop- 2- yn- 1- ylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: C#CCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK551295
Synonyms: 3- [(4- bromobenzyl)sulfanyl]- 10- butyl- 8,9- dihydro- 7H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCCc1nc2sc3c(c2c2c1CCC2)ncn1c3nnc1SCc1ccc(cc1)Br

STK551296
Synonyms: (1'S,2'S,3R,3a'R)- 2'- (1,3- benzodioxol- 5- ylcarbonyl)- 1'- (2,2- dimethylpropanoyl)- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: O=C([C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C)c1ccc2c(c1)OCO2

STK551300
Synonyms: 6- ethyl- 6- methyl- 2- (methylsulfanyl)- 4- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(SC/C=C/c3ccccc3)nc(nc1s2)SC

STK551301
Synonyms: 1- (4- bromophenyl)- 2- [(5- ethyl- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]ethanone
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)c1ccc(cc1)Br)nn2)CCC3

STK551303
Synonyms: 3- (4- benzylpiperidin- 1- yl)- 1- [3- (4- chlorophenyl)- 5- (furan- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]propan- 1- one
Smiles: Clc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)CCN1CCC(CC1)Cc1ccccc1

STK551304
Synonyms: N- benzyl- 2- {[3- (4- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)NCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551305
Synonyms: 2- methoxyethyl2- amino- 1- (3,5- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cc(C)cc(c1)C

STK551306
Synonyms: 4- [(2E)- 2- (2,4- dimethoxybenzylidene)hydrazinyl]- 2- (2- fluorophenyl)quinazoline
Smiles: COc1cc(OC)ccc1/C=N/Nc1nc(nc2c1cccc2)c1ccccc1F

STK551307
Synonyms: 9'- bromo- 1- (propan- 2- yl)- 2'- (pyridin- 3- 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)c1cccnc1

STK551308
Synonyms: ethyl1- acetyl- 7- (3,5- dichlorophenyl)- 6,8- dioxo- 1,2,7- triazaspiro[4.4]non- 2- ene- 3- carboxylate
Smiles: CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1cc(Cl)cc(c1)Cl)C(=O)C

STK551309
Synonyms: 1- [(3- fluorobenzyl)sulfanyl]- 4- (3- methylphenyl)- 7- (propan- 2- yl)- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(C1OCc2c(C1)c1c(s2)n2c(SCc3cccc(c3)F)nnc2n(c1=O)c1cccc(c1)C)C

STK551311
Synonyms: (8R,8aS,11aR)- 8- (2,2- dimethylpropanoyl)- 10- phenyl- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: O=C1N(c2ccccc2)C(=O)[C@@H]2[C@H]1[C@@H](N1C2c2ccccc2C=N1)C(=O)C(C)(C)C

STK551312
Synonyms: 2- [(2,2- diethoxyethyl)sulfanyl]- 6,6- dimethyl- 3- (3- methylphenyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CCOC(CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)(C)C)OCC

STK551313
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {2- [(2- chloro- 6- fluorobenzyl)oxy]- 3- methoxyphenyl}methylidene]- 5- (3- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cccc(c1OCc1c(F)cccc1Cl)/C=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N

STK551314
Synonyms: ethyl3- ({3- [4- (3- chlorophenyl)piperazin- 1- yl]propanoyl}amino)- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1)Cl)cc(cc2)OC

STK551315
Synonyms: (5Z)- 5- ({1- [3- (4- ethylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)- 1- (4- ethylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)OCCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)CC

STK551316
Synonyms: (2'R,3'R)- 2'- (2,5- dimethoxyphenyl)- 3'- (2,2- dimethylpropanoyl)- 2',3'- dihydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 1,3- dione
Smiles: COc1ccc(c(c1)[C@H]1[C@@H](N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2)C(=O)C(C)(C)C)OC

STK551317
Synonyms: [1- amino- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinolin- 2- yl](3- nitrophenyl)methanone
Smiles: O=C(c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1)c1cccc(c1)[N+](=O)[O-]

STK551319
Synonyms: N- ({2- [(4- hydroxyphenyl)carbonyl]hydrazinyl}carbonothioyl)- 5- methyl- 3- phenyl- 1,2- oxazole- 4- carboxamide
Smiles: S=C(NC(=O)c1c(C)onc1c1ccccc1)NNC(=O)c1ccc(cc1)O

STK551321
Synonyms: N~2~- benzyl- N~4~- (2- fluorophenyl)- N~2~- methyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CN(c1nc(N)c(c(n1)Nc1ccccc1F)[N+](=O)[O-])Cc1ccccc1

STK551323
Synonyms: 7- ({2- [(1,3- benzodioxol- 5- ylmethyl)amino]ethyl}amino)- 3- methyl- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: Cc1ccc2c(c1)oc1c([nH]2)c2c(c(c1)NCCNCc1ccc3c(c1)OCO3)c(=O)c1c(c2=O)cccc1

STK551324
Synonyms: N- (3- chloro- 4- methylphenyl)- 10- methyl- 8- phenyl- 11- (3,4,5- trimethoxyphenyl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1c(OC)cc(cc1OC)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)Cl)C)c1ccccc1

STK551326
Synonyms: 2- (3,4- dimethoxyphenyl)- 7- ethoxy- 4- [4- (2- fluorophenyl)piperazin- 1- yl]- 6- methoxyquinazoline
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CCN(CC1)c1ccccc1F)c1ccc(c(c1)OC)OC

STK551327
Synonyms: 2- {[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N'- [(E)- (2- bromophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccccc1)N/N=C/c1ccccc1Br

STK551328
Synonyms: N- (4- chlorophenyl)- 2- [4- (propan- 2- yloxy)phenyl]quinazolin- 4- amine
Smiles: CC(Oc1ccc(cc1)c1nc(Nc2ccc(cc2)Cl)c2c(n1)cccc2)C

STK551330
Synonyms: (2'S,3S,3'S,10b'R)- 2'- (1,3- benzodioxol- 5- ylcarbonyl)- 3'- (2,2- dimethylpropanoyl)- 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)c1ccc2c(c1)OCO2

STK551331
Synonyms: ethyl3- ({3- [4- (2,3- dimethylphenyl)piperazin- 1- yl]propanoyl}amino)- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1C)C)cc(cc2)OC

STK551332
Synonyms: 11- (3,4- dimethylphenyl)- 3- (2- methoxyphenyl)- 2- methyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccccc1n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)C)C

STK551333
Synonyms: 1,5- diethyl- 3,7- bis[(3- nitrophenyl)carbonyl]- 3,7- diazabicyclo[3.3.1]nonan- 9- one
Smiles: CCC12CN(CC(C2=O)(CN(C1)C(=O)c1cccc(c1)[N+](=O)[O-])CC)C(=O)c1cccc(c1)[N+](=O)[O-]

STK551335
Synonyms: 3- [(3,5- dimethyl- 1H- pyrazol- 1- yl)methyl]- 1- (4- methylphenyl)pyrrolidine- 2,5- dione
Smiles: Cc1ccc(cc1)N1C(=O)CC(C1=O)Cn1nc(cc1C)C

STK551337
Synonyms: 2- {[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- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: O=C(CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)NCCc1ccccc1

STK551338
Synonyms: 2- [(5- ethyl- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]- N- phenylacetamide
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccccc1)nn2)CC(OC3)(C)C

STK551341
Synonyms: 1- [(4- fluorobenzyl)sulfanyl]- 4- (3- methylphenyl)- 7- (propan- 2- yl)- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1cccc(c1)n1c(=O)c2c3CC(OCc3sc2n2c1nnc2SCc1ccc(cc1)F)C(C)C

STK551342
Synonyms: 2- {[2- (4- butoxyphenyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- 1- phenylethanone
Smiles: CCCCOc1ccc(cc1)c1nc(SCC(=O)c2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK551343
Synonyms: ethyl5- bromo- 3- ({3- [4- (ethoxycarbonyl)piperazin- 1- yl]propanoyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)CCC(=O)Nc1c([nH]c2c1cc(Br)cc2)C(=O)OCC

STK551344
Synonyms: N- {3- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]quinoxalin- 2- yl}- 4- chlorobenzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK551346
Synonyms: 2- (4- benzylpiperazin- 1- yl)- N'- [(1Z)- 1- (naphthalen- 2- yl)ethylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1)N/N=C(\c1ccc2c(c1)cccc2)/C

STK551347
Synonyms: 2- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)- N'- [(1E)- 1- (3- nitrophenyl)ethylidene]acetohydrazide
Smiles: O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)N/N=C(/c1cccc(c1)[N+](=O)[O-])\C

STK551348
Synonyms: 7- (hexylsulfanyl)- 4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCCCCCSc1ncnc2c1sc1c2c2CCCc2c(n1)C(C)C

STK551349
Synonyms: ethyl1- acetyl- 7- (4- bromophenyl)- 6,8- dioxo- 1,2,7- triazaspiro[4.4]non- 2- ene- 3- carboxylate
Smiles: CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1ccc(cc1)Br)C(=O)C

STK551350
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1E)- 1- {4- [(4- chlorobenzyl)oxy]- 3- methoxyphenyl}ethylidene]- 5- [(4- methylpiperidin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(ccc1OCc1ccc(cc1)Cl)/C(=N/NC(=O)c1nnn(c1CN1CCC(CC1)C)c1nonc1N)/C

STK551351
Synonyms: methyl4- {4- [2- (4- chlorophenyl)- 4- oxoquinazolin- 3(4H)- yl]butoxy}benzoate
Smiles: COC(=O)c1ccc(cc1)OCCCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)Cl

STK551353
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- methylpiperidin- 1- yl)methyl]- N'- {(1E)- 1- [4- (2H- tetrazol- 2- yl)phenyl]ethylidene}- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CC1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(cc1)n1nncn1)\C

STK551355
Synonyms: N- {1- (3,4- dimethylphenyl)- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}- 4- nitrobenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccc(cc2)[N+](=O)[O-])n(c2c1nc1ccccc1n2)c1ccc(c(c1)C)C

STK551356
Synonyms: 3- phenyl- 4,5,5a,6,7,8- hexahydrocyclopenta[c][1,2]diazepine
Smiles: c1ccc(cc1)C1=NN=C2C(CC1)CCC2

STK551358
Synonyms: N- [2- hydroxy- 3- (morpholin- 4- yl)propyl]- N- (3- methylphenyl)benzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccccc1)c1cccc(c1)C)CN1CCOCC1

STK551360
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 6,6- dimethyl- 3- (4- methylphenyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK551361
Synonyms: 2- [(4- amino- 6- propyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- 1- (4- bromophenyl)ethanone
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCC(=O)c1ccc(cc1)Br

STK551362
Synonyms: 8- bromo- 3- {[(E)- (4- fluorophenyl)methylidene]amino}- 2- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Fc1ccc(cc1)/C=N/n1c(C)nc2c(c1=O)[nH]c1c2cc(cc1)Br

STK551363
Synonyms: (5- {[(E)- (5- bromo- 2- methoxyphenyl)methylidene]amino}- 1- methyl- 1H- benzimidazol- 2- yl)methanol
Smiles: COc1ccc(cc1/C=N/c1ccc2c(c1)nc(n2C)CO)Br

STK551364
Synonyms: 11- (3- chloro- 4- methoxyphenyl)- 3- cyclohexyl- 2- ethyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccc(cc1Cl)n1c2nc(CC)n(c(=O)c2c2c1nc1ccccc1n2)C1CCCCC1

STK551365
Synonyms: 7- {[2- (1,4- dioxa- 8- azaspiro[4.5]dec- 8- yl)ethyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: O=c1c2ccccc2c(=O)c2c1c1[nH]c3ccccc3oc1cc2NCCN1CCC2(CC1)OCCO2

STK551367
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 6,6- dimethyl- 3- (4- methylphenyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(cc2)Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK551369
Synonyms: (1'S,2'S,3R,3a'R)- 2'- [(4- chlorophenyl)carbonyl]- 1'- (2,2- dimethylpropanoyl)- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C

STK551371
Synonyms: (4aS,4bR,7aS,8R)- 6- (4- methoxyphenyl)- 8- [(3- nitrophenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2cccc(c2)[N+](=O)[O-])N=CC=C1

STK551372
Synonyms: N- (3- methoxyphenyl)- 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCC3

STK551373
Synonyms: 1- (4- fluorophenyl)- 2- {[2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]sulfanyl}ethanone
Smiles: CSc1nc(SCC(=O)c2ccc(cc2)F)c2c(n1)sc1c2CCCC1

STK551374
Synonyms: 9- (3- chlorophenyl)- 3- methyl- 1- phenyl- 1H- pyrazolo[4',3':5,6]pyrido[2,3- d]pyrimidine- 5,7(6H,9H)- dione
Smiles: Clc1cccc(c1)n1c2c(cc3c1nc(=O)[nH]c3=O)c(nn2c1ccccc1)C

STK551375
Synonyms: ethyl5,6- dimethoxy- 3- [(3- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}propanoyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cc(c(c2)OC)OC

STK551379
Synonyms: (4bR,7aS,8R)- 6- (2- methoxyphenyl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)c2ccccc2)N=CC=C1

STK551381
Synonyms: 9- (diphenylmethyl)- 5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8(9H)- one
Smiles: O=c1c2sc3c(c2ncn1C(c1ccccc1)c1ccccc1)c1CCCCc1c(n3)N1CCOCC1

STK551382
Synonyms: (3aR,6aS)- 5- (naphthalen- 2- yl)- 3- (3- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: O=C1N(c2ccc3c(c2)cccc3)C(=O)[C@@H]2[C@H]1C(=NO2)c1cccc(c1)[N+](=O)[O-]

STK551383
Synonyms: 4- (benzyloxy)- N- {(5Z)- 4- oxo- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 3- yl}benzamide
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)OCc1ccccc1

STK551384
Synonyms: 8- bromo- 2- methyl- 3- {[(E)- (4- nitrophenyl)methylidene]amino}- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Brc1ccc2c(c1)c1nc(C)n(c(=O)c1[nH]2)/N=C/c1ccc(cc1)[N+](=O)[O-]

STK551385
Synonyms: 2- methoxy- 4- (10- methyl- 8- phenyl- 6- {[3- (trifluoromethyl)phenyl]amino}- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl)phenol
Smiles: COc1cc(ccc1O)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1)C(F)(F)F)c1ccccc1

STK551386
Synonyms: 4- chloro- N- [5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)- 2- (morpholin- 4- yl)phenyl]benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CCOCC1)c1nn(C)c(=O)c2c1cccc2

STK551387
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 3- (2- phenylethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Clc1ccc(cc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK551390
Synonyms: 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: O=C(CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCC3)NCCc1ccccc1

STK551391
Synonyms: 3- (4- chlorophenyl)- 2- [(Z)- (1- ethyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]quinazolin- 4(3H)- one
Smiles: CCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2c2ccc(cc2)Cl)/c2c1cccc2

STK551392
Synonyms: 4- butyl- N- hexyl- 2,3,5a,10b- tetrahydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: CCCCCCNc1ncnc2c1SC1C2C2=C(C(=N1)CCCC)CCC2

STK551394
Synonyms: 4- {[(6aS,6bR,9aS,10R)- 8- (naphthalen- 2- yl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinolin- 10- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc3c(c1)cccc3)C=Cc1c2cccc1

STK551397
Synonyms: ethyl5,6- dimethoxy- 3- {[2- (3- methylpiperidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCCC(C1)C)C)cc(c(c2)OC)OC

STK551399
Synonyms: 3- bromo- N- (5- bromopyridin- 2- yl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: Brc1ccc(nc1)NC(=O)c1coc(=O)c(c1)Br

STK551400
Synonyms: 2- [(Z)- (5- bromo- 1- ethyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]- 3- (4- methylphenyl)quinazolin- 4(3H)- one
Smiles: CCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2c2ccc(cc2)C)/c2c1ccc(c2)Br

STK551401
Synonyms: 2- (4- methylphenyl)- 3- (naphthalen- 2- ylsulfonyl)- 1,3- thiazolidine
Smiles: Cc1ccc(cc1)C1SCCN1S(=O)(=O)c1ccc2c(c1)cccc2

STK551402
Synonyms: 9- (4- bromophenyl)- 5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8(9H)- one
Smiles: Brc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1

STK551403
Synonyms: 2- {[5- (furan- 2- yl)- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}- N,N- diphenylacetamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK551404
Synonyms: N- (3,4- dimethylphenyl)- 11- (4- fluorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Fc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)C)C)c1ccccc1

STK551405
Synonyms: ethyl5- phenyl- 1- {[(phenylcarbonyl)carbamothioyl]amino}- 7,8- dihydro- 6H- cyclopenta[d]thieno[2,3- b]pyridine- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1NC(=S)NC(=O)c1ccccc1)c1CCCc1c(n2)c1ccccc1

STK551406
Synonyms: N- (12- cyanoindolizino[2,3- b]quinoxalin- 3- yl)thiophene- 2- carboxamide
Smiles: N#Cc1c2ccc(cn2c2c1nc1ccccc1n2)NC(=O)c1cccs1

STK551408
Synonyms: (5E)- 5- [(1- acetyl- 1H- indol- 3- yl)methylidene]- 1- (2,5- dimethoxyphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1N1C(=O)NC(=O)/C(=C\c2cn(c3c2cccc3)C(=O)C)/C1=O)OC

STK551409
Synonyms: 2- (4- {4- [(4- methylphenyl)amino]phthalazin- 1- yl}phenoxy)- 1- (piperidin- 1- yl)ethanone
Smiles: Cc1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(cc1)OCC(=O)N1CCCCC1

STK551411
Synonyms: N'- [(E)- (3,5- dibromo- 2- hydroxyphenyl)methylidene]- 1H- indole- 7- carbohydrazide
Smiles: Brc1cc(/C=N/NC(=O)c2cccc3c2[nH]cc3)c(c(c1)Br)O

STK551414
Synonyms: ethyl3- ({3- [4- (ethoxycarbonyl)piperazin- 1- yl]propanoyl}amino)- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)CCC(=O)Nc1c([nH]c2c1cc(OC)cc2)C(=O)OCC

STK551415
Synonyms: 4- methyl- N- [3- (2- methyl- 1,3- thiazol- 4- yl)phenyl]benzamide
Smiles: Cc1ccc(cc1)C(=O)Nc1cccc(c1)c1csc(n1)C

STK551416
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- chloro- 2- methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK551417
Synonyms: 4- (4- benzylpiperazin- 1- yl)- 2- [4- (propan- 2- yloxy)phenyl]quinazoline
Smiles: CC(Oc1ccc(cc1)c1nc(N2CCN(CC2)Cc2ccccc2)c2c(n1)cccc2)C

STK551419
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- [(4- chloro- 3,5- dimethylphenoxy)methyl]- 4- methoxyphenyl}methylidene]- 5- (3- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1COc1cc(C)c(c(c1)C)Cl)/C=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N

STK551420
Synonyms: N~6~- (5- chloro- 2- methylphenyl)- N~4~- ethyl- 7- nitro- 2,1,3- benzoxadiazole- 4,6- diamine
Smiles: CCNc1cc(Nc2cc(Cl)ccc2C)c(c2c1non2)[N+](=O)[O-]

STK551421
Synonyms: 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (4- methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK551422
Synonyms: ethyl5,6- dimethoxy- 3- {[(4- oxopiperidin- 1- yl)acetyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCC(=O)CC1)cc(c(c2)OC)OC

STK551423
Synonyms: (5E)- 6- hydroxy- 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]- 3- (2,4,6- trimethylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: Cc1cc(C)c(c(c1)C)N1C(=O)N=C(/C(=C\c2c(=O)oc3c(c2C)cc2c4c3CCCN4CCC2)/C1=O)O

STK551425
Synonyms: N- (2- methylphenyl)- 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCC3

STK551427
Synonyms: N- (3- methoxyphenyl)- 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK551428
Synonyms: 2,2'- disulfanediylbis(4- methylquinoline)
Smiles: Cc1cc(SSc2cc(C)c3c(n2)cccc3)nc2c1cccc2

STK551432
Synonyms: 2- amino- N- [2- (3,4- dimethoxyphenyl)ethyl]- 1- (2,3- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COc1ccc(cc1OC)CCNC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1C)C

STK551434
Synonyms: 2- [(3- benzyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]- N- (diphenylmethyl)acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCC3

STK551435
Synonyms: methyl4- [3- (3- nitrophenyl)- 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)c1cccc(c1)[N+](=O)[O-]

STK551436
Synonyms: (8R,8aS,11aR)- N- (4- chlorophenyl)- 10- (3- nitrophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 8- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])cccc3

STK551437
Synonyms: N- (4- bromophenyl)- 2- {[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK551438
Synonyms: N- (2- {(2E)- 2- [(2- methyl- 1H- indol- 3- yl)methylidene]hydrazinyl}- 2- oxoethyl)pyridine- 3- carboxamide(non- preferredname)
Smiles: O=C(CNC(=O)c1cccnc1)N/N=C/c1c(C)[nH]c2c1cccc2

STK551439
Synonyms: 7- bromo- 1- methyl- 2- oxo- 5- phenyl- 2,3- dihydro- 1H- 1,4- benzodiazepin- 3- ylacetate
Smiles: CC(=O)OC1N=C(c2ccccc2)c2c(N(C1=O)C)ccc(c2)Br

STK551440
Synonyms: 4- chloro- N- {1- (2- chlorobenzyl)- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccc(cc2)Cl)n(c2c1nc1ccccc1n2)Cc1ccccc1Cl

STK551441
Synonyms: 4- [5- (furan- 2- yl)- 3- (4- methylphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1ccco1)c1ccc(cc1)C

STK551442
Synonyms: (2Z)- 2- [(5E)- 5- {[5- (3- chloro- 4- nitrophenyl)furan- 2- yl]methylidene}- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]- 2- cyano- N- (2- methoxyphenyl)ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2ccc(o2)c2ccc(c(c2)Cl)[N+](=O)[O-])/c(=O)n1c1ccccc1)/C(=O)Nc1ccccc1OC

STK551444
Synonyms: 11- (1,3- benzodioxol- 5- ylmethyl)- 2- ethyl- 3- hexyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2

STK551445
Synonyms: tert- butyl(2'R,3'R)- 2'- (4- methoxyphenyl)- 1,3- dioxo- 1,2',3,3'- tetrahydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 3'- carboxylate
Smiles: COc1ccc(cc1)[C@H]1[C@H](C(=O)OC(C)(C)C)N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2

STK551447
Synonyms: 3- bromo- N- [2- (naphthalen- 2- yl)imidazo[1,2- a]pyridin- 3- yl]benzamide
Smiles: Brc1cccc(c1)C(=O)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK551448
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- bromo- 5- ethoxy- 4- [(4- fluorobenzyl)oxy]phenyl}methylidene]- 5- (3- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2c2cccc(c2)[N+](=O)[O-])c2nonc2N)cc(c1OCc1ccc(cc1)F)Br

STK551449
Synonyms: N- (3,4- dimethylphenyl)- 11- (2- fluorophenyl)- 10- methyl- 8- (pyridin- 2- yl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Fc1ccccc1C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)C)C)c1ccccn1

STK551450
Synonyms: 2- [(2- methylbenzyl)sulfanyl]- 3- (3- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1cccc(c1)n1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK551451
Synonyms: (9E)- 3- (4- chlorophenyl)- 9- (4- fluorobenzylidene)- 5- (4- fluorophenyl)- 7- methyl- 6,7,8,9- tetrahydro- 5H- pyrido[4,3- d][1,3]thiazolo[3,2- a]pyrimidine
Smiles: CN1C/C(=C\c2ccc(cc2)F)/C2=C(C1)C(c1ccc(cc1)F)n1c(=N2)scc1c1ccc(cc1)Cl

STK551452
Synonyms: 2- [4- (2- chlorobenzyl)piperazin- 1- yl]- N'- [(1E,2Z)- 3- phenylprop- 2- en- 1- ylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1Cl)N/N=C/C=C\c1ccccc1

STK551453
Synonyms: (5Z)- 5- (2,3- dimethoxybenzylidene)- 3- (2- fluorophenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)c1ccccc1F

STK551454
Synonyms: 4- [(8R,8aS,11aR)- 8- [(4- chlorophenyl)carbonyl]- 9,11- dioxo- 8a,9,11a,11b- tetrahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazin- 10(11H)- yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)c2ccc(cc2)Cl)N=Cc2c1cccc2

STK551455
Synonyms: (2E)- 3- {[2- (difluoromethoxy)phenyl]amino}- 2- [4- (4- ethoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C/Nc1ccccc1OC(F)F)/C#N

STK551456
Synonyms: (2E)- 2- cyano- 2- [5- (2,5- dichlorobenzyl)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]- N- (4- ethylphenyl)ethanamide
Smiles: CCc1ccc(cc1)NC(=O)/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1cc(Cl)ccc1Cl)/C#N

STK551457
Synonyms: 3- (2- chlorophenyl)- 6- iodo- 2- [(E)- 2- (2- methylphenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1C)c1ccccc1Cl

STK551459
Synonyms: N'- [11- (5- bromofuran- 2- yl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]- N,N- diethylbenzene- 1,4- diamine
Smiles: CCN(c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(o2)Br)c(nn1c1ccccc1)C)CC

STK551460
Synonyms: (5Z)- 1- (furan- 2- ylmethyl)- 5- ({1- [3- (3- methoxyphenoxy)propyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1cccc(c1)OCCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccco1

STK551463
Synonyms: 2- (diethylamino)ethyl4- ({(Z)- 2- [4- (3- bromophenyl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)benzoate
Smiles: CCN(CCOC(=O)c1ccc(cc1)N/C=C(\c1scc(n1)c1cccc(c1)Br)/C#N)CC

STK551464
Synonyms: N- (naphthalen- 1- yl)- 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc3c2cccc3)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551465
Synonyms: 8- {(2E)- 2- [(6- bromo- 1,3- benzodioxol- 5- yl)methylidene]hydrazinyl}- 7- (2- hydroxyethyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCn1c(N/N=C/c2cc3OCOc3cc2Br)nc2c1c(=O)n(c(=O)n2C)C

STK551466
Synonyms: 3- ethyl- 2- [(3- methylbenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCn1c(SCc2cccc(c2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK551470
Synonyms: 4- {(2Z)- 2- [1- (4- bromophenyl)ethylidene]hydrazinyl}- 2- (2- fluorophenyl)quinazoline
Smiles: Brc1ccc(cc1)/C(=N\Nc1nc(nc2c1cccc2)c1ccccc1F)/C

STK551471
Synonyms: 5- [3- (furan- 2- yl)- 1H- pyrazol- 5- yl]- 4- (2- methoxyphenyl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: COc1ccccc1n1c(S)nnc1c1[nH]nc(c1)c1ccco1

STK551472
Synonyms: ethyl5,6- dimethoxy- 3- {[3- (thiomorpholin- 4- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCSCC1)cc(c(c2)OC)OC

STK551474
Synonyms: 6- chloro- 3- [5- (2- fluorophenyl)- 1- (thiophen- 2- ylcarbonyl)- 4,5- dihydro- 1H- pyrazol- 3- yl]- 4- phenylquinolin- 2(1H)- one
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)C1=NN(C(C1)c1ccccc1F)C(=O)c1cccs1

STK551476
Synonyms: 11- (4- tert- butylphenyl)- 10- methyl- N- (3- methylphenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)(C)C)c(nn1c1ccccc1)C

STK551477
Synonyms: 2- [(E)- {2- [2- (2- fluorophenyl)quinazolin- 4- yl]hydrazinylidene}methyl]phenol
Smiles: Oc1ccccc1/C=N/Nc1nc(nc2c1cccc2)c1ccccc1F

STK551479
Synonyms: ethyl7- {[(4- methylpiperidin- 1- yl)acetyl]amino}- 5H- [1,3]dioxolo[4,5- f]indole- 6- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCC(CC1)C)cc1c(c2)OCO1

STK551481
Synonyms: (5Z)- 1- (3- chloro- 4- methoxyphenyl)- 5- ({1- [2- (4- chlorophenoxy)ethyl]- 1H- pyrrol- 2- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C/c2cccn2CCOc2ccc(cc2)Cl)/C1=O

STK551484
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {4- methoxy- 3- [(3- methyl- 4- nitrophenoxy)methyl]phenyl}methylidene]- 5- (phenoxymethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])/C=N/NC(=O)c1nnn(c1COc1ccccc1)c1nonc1N

STK551485
Synonyms: 2- [(naphthalen- 1- yloxy)methyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexane]
Smiles: C1CCC2(CC1)Cc1ccccc1c1c2c2nc(nn2cn1)COc1cccc2c1cccc2

STK551486
Synonyms: 2- iodo- N- [2- (naphthalen- 2- yl)imidazo[1,2- a]pyridin- 3- yl]benzamide
Smiles: O=C(c1ccccc1I)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK551487
Synonyms: (6aS,6bR,9aS,10R)- 8- (4- fluorophenyl)- N- (4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK551488
Synonyms: 3- (6- chloro- 2- methyl- 4- phenylquinolin- 3- yl)- 5- (2- chlorophenyl)- N- phenyl- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(n2)C)C1=NN(C(C1)c1ccccc1Cl)C(=S)Nc1ccccc1

STK551489
Synonyms: 2- [(naphthalen- 2- ylmethyl)sulfanyl]- 6,8- diphenyl- 5,8- dihydro- 6H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: Nc1nc(SCc2ccc3c(c2)cccc3)nc2c1c1CC(SC(c1s2)c1ccccc1)c1ccccc1

STK551492
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- (2- ethoxyphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCC(OC(=O)c1c2nc3ccccc3nc2n(c1N)c1ccccc1OCC)C

STK551493
Synonyms: 11- (furan- 2- yl)- 10- methyl- N,8- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1nn(c2c1C(c1ccco1)n1c(=N2)c(Nc2ccccc2)nc2c1cccc2)c1ccccc1

STK551494
Synonyms: 4- {3- [5- (4- nitrophenyl)thiophen- 2- yl]- 4,6- dioxo- 2- phenylhexahydro- 5H- pyrrolo[3,4- d][1,2]oxazol- 5- yl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(s1)c1ccc(cc1)[N+](=O)[O-]

STK551495
Synonyms: 2- {[2- (4- butoxyphenyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- 1- (4- chlorophenyl)ethanone
Smiles: CCCCOc1ccc(cc1)c1nc(SCC(=O)c2ccc(cc2)Cl)c2c(n1)sc1c2CC(OC1)(C)C

STK551496
Synonyms: 2- (pentylsulfanyl)- 3- (2- phenylethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK551497
Synonyms: ethyl7- {[(3,3- dimethylpiperidin- 1- yl)acetyl]amino}- 5H- [1,3]dioxolo[4,5- f]indole- 6- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCCC(C1)(C)C)cc1c(c2)OCO1

STK551498
Synonyms: 2- (4- butoxyphenyl)- 4- [(3- fluorobenzyl)sulfanyl]- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCCOc1ccc(cc1)c1nc(SCc2cccc(c2)F)c2c(n1)sc1c2CC(OC1)(C)C

STK551500
Synonyms: 2- {[3- (4- methoxyphenyl)- 6,6- dimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)NCCc2ccccc2)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK551502
Synonyms: (1'S,2'S,3R,3a'R)- 1'- (2,2- dimethylpropanoyl)- 2'- (furan- 2- ylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: O=C([C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C)c1ccco1

STK551503
Synonyms: (5Z)- 5- ({1- [2- (2- chlorophenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 1- (4- ethylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2ccccc2Cl)/C1=O

STK551504
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCn1c(SCc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551505
Synonyms: 2,5- bis[(diethylamino)methyl]- 1,6- bis(4- methoxyphenyl)hexane- 1,6- dione
Smiles: CCN(CC(C(=O)c1ccc(cc1)OC)CCC(C(=O)c1ccc(cc1)OC)CN(CC)CC)CC

STK551506
Synonyms: (9E)- 9- benzylidene- 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 7- methyl- 5- phenyl- 6,7,8,9- tetrahydro- 5H- pyrido[4,3- d][1,3]thiazolo[3,2- a]pyrimidine
Smiles: CN1C/C(=C\c2ccccc2)/C2=C(C1)C(c1ccccc1)n1c(=N2)scc1c1ccc2c(c1)OCCO2

STK551507
Synonyms: (6aS,6bR,9aS,10R)- 8- (3- chlorophenyl)- N- (4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: Clc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK551508
Synonyms: (8R,8aS,11aR)- 10- (4- chlorophenyl)- 8- [(4- methoxyphenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)Cl)cccc3

STK551509
Synonyms: N- (4- bromophenyl)- 2- (4- methoxybenzyl)quinazolin- 4- amine
Smiles: COc1ccc(cc1)Cc1nc(Nc2ccc(cc2)Br)c2c(n1)cccc2

STK551510
Synonyms: 7- ({2- [benzyl(methyl)amino]ethyl}amino)- 2- methyl- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: CN(Cc1ccccc1)CCNc1cc2oc3ccc(cc3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK551511
Synonyms: 3- (2- methoxyphenyl)- 2- methyl- 11- (2- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccccc1n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1

STK551514
Synonyms: 2- {4- [4- (naphthalen- 1- ylamino)phthalazin- 1- yl]phenoxy}- 1- (piperidin- 1- yl)ethanone
Smiles: O=C(N1CCCCC1)COc1ccc(cc1)c1nnc(c2c1cccc2)Nc1cccc2c1cccc2

STK551515
Synonyms: methyl4- (3- cyclohexyl- 2- methyl- 4- oxo- 3,4- dihydro- 11H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 11- yl)benzoate
Smiles: COC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)C1CCCCC1

STK551516
Synonyms: N- (4- chlorophenyl)- 2- (morpholin- 4- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: Clc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCOCC1

STK551517
Synonyms: 5- (2,6- dichlorophenyl)- 3- (3- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1C2C(c3cccc(c3)[N+](=O)[O-])N(OC2C(=O)N1c1c(Cl)cccc1Cl)c1ccccc1

STK551518
Synonyms: (1'S,2'S,3R,3a'R)- 1'- (2,2- dimethylpropanoyl)- 2'- (thiophen- 2- ylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: O=C([C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C)c1cccs1

STK551519
Synonyms: 2- {[8,8- dimethyl- 11- (morpholin- 4- yl)- 7,10- dihydro- 8H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc2n1cnc1c2sc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK551520
Synonyms: (5Z)- 5- {[1- (4- bromophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 1- [4- (butan- 2- yl)phenyl]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)Br)C)/C1=O)C

STK551522
Synonyms: N- (4- phenylbutan- 2- yl)- 2- [(4,7,7- trimethyl- 5- oxo- 4,5,6,9- tetrahydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl)sulfanyl]acetamide
Smiles: CC(NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C)CC(OC3)(C)C)CCc1ccccc1

STK551523
Synonyms: 11- (4- chloro- 3- nitrophenyl)- 3- cyclohexyl- 2- methyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: [O-][N+](=O)c1cc(ccc1Cl)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)C1CCCCC1

STK551524
Synonyms: 4- bromo- 2- {6- [(2- ethoxyphenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}phenol
Smiles: CCOc1ccccc1Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cc(Br)ccc1O)C)c1ccccc1

STK551525
Synonyms: 4- hydrazinyl- 7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidine
Smiles: NNc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK551527
Synonyms: 2- (methylsulfanyl)- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCn1c(SC)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551528
Synonyms: (2E)- N- (4- butylphenyl)- 2- [5- (3- chlorobenzyl)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]- 2- cyanoethanamide
Smiles: CCCCc1ccc(cc1)NC(=O)/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1cccc(c1)Cl)/C#N

STK551529
Synonyms: 2- ethoxy- 4- [4- (4'- nitrobiphenyl- 4- yl)- 5- phenyl- 1H- imidazol- 2- yl]phenol
Smiles: CCOc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]

STK551530
Synonyms: 6- iodo- 2- (pentylsulfanyl)- 3- (prop- 2- en- 1- yl)quinazolin- 4(3H)- one
Smiles: C=CCn1c(SCCCCC)nc2c(c1=O)cc(cc2)I

STK551531
Synonyms: 6- chloro- 10- (2- fluorophenyl)- 3- methylpyrimido[4,5- b]quinoline- 2,4(3H,10H)- dione
Smiles: Clc1cccc2c1cc1c(n2c2ccccc2F)nc(=O)n(c1=O)C

STK551533
Synonyms: 3- ethyl- 2- [(2- methylbenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551534
Synonyms: 4- {[(E)- 2- cyano- 2- (4- phenyl- 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)c1ccccc1

STK551535
Synonyms: 3- (4- methoxyphenyl)- 2- [(2- methylbenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: COc1ccc(cc1)n1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK551537
Synonyms: N- [3- (dimethylamino)propyl]- 9- fluoro- 7- hydroxy- 3- methyl- 5- oxo- 2,3- dihydro- 1H,5H- pyrido[3,2,1- ij]quinoline- 6- carboxamide
Smiles: CN(CCCNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)C(C)CC3)C

STK551539
Synonyms: 2- amino- N- hexyl- 1- (prop- 2- en- 1- yl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: C=CCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCCCCC

STK551541
Synonyms: 5- (2- chlorophenyl)- 3- [(2,6- dichlorobenzyl)sulfanyl]- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Clc1ccccc1c1nc2sc3c(c2c2n1c(SCc1c(Cl)cccc1Cl)nn2)CCCC3

STK551542
Synonyms: N- (4- methoxyphenyl)- 2- [(2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl)sulfanyl]acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C

STK551543
Synonyms: 3- {[(E)- (3- fluorophenyl)methylidene]amino}- 8- methoxy- 2- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)c1nc(C)n(c(=O)c1[nH]2)/N=C/c1cccc(c1)F

STK551544
Synonyms: N- (3,4- dimethylphenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)C)C)nnc1c1cccnc1

STK551545
Synonyms: 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]- N- (4- methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551546
Synonyms: 5- methyl- 3- phenyl- N- [(2- {[(1S,2S)- 2- phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]- 1,2- oxazole- 4- carboxamide
Smiles: S=C(NC(=O)c1c(C)onc1c1ccccc1)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK551548
Synonyms: N'- [(3Z)- 5- bromo- 2- oxo- 1- {[2- (pyridin- 3- yl)piperidin- 1- yl]methyl}- 1,2- dihydro- 3H- indol- 3- ylidene]- 4- fluorobenzohydrazide
Smiles: Brc1ccc2c(c1)/C(=N/NC(=O)c1ccc(cc1)F)/C(=O)N2CN1CCCCC1c1cccnc1

STK551549
Synonyms: N- [2- hydroxy- 3- (piperidin- 1- yl)propyl]- N- (2- methoxyphenyl)- 4- methylbenzenesulfonamide
Smiles: COc1ccccc1N(S(=O)(=O)c1ccc(cc1)C)CC(CN1CCCCC1)O

STK551550
Synonyms: 4- butyl- 7- [(4- chlorobenzyl)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)ncnc3SCc1ccc(cc1)Cl

STK551551
Synonyms: 4- [(3- chloro- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl)amino]phenyl2- chlorobenzoate
Smiles: O=C(c1ccccc1Cl)Oc1ccc(cc1)NC1=C(Cl)C(=O)c2c(C1=O)cccc2

STK551552
Synonyms: 1,5- dimethyl- 4- {[7- (4- methylpiperidin- 1- yl)- 4- nitro- 2,1,3- benzoxadiazol- 5- yl]amino}- 2- phenyl- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: CC1CCN(CC1)c1cc(Nc2c(C)n(n(c2=O)c2ccccc2)C)c(c2c1non2)[N+](=O)[O-]

STK551553
Synonyms: 1- (2- methylphenyl)- 1H- tetrazole- 5- thiol
Smiles: Cc1ccccc1n1nnnc1S

STK551555
Synonyms: 2- amino- N- [2- (3,4- dimethoxyphenyl)ethyl]- 1- [2- (4- methoxyphenyl)ethyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COc1ccc(cc1)CCn1c2nc3ccccc3nc2c(c1N)C(=O)NCCc1ccc(c(c1)OC)OC

STK551556
Synonyms: (5Z)- 3- (2- bromophenyl)- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C=CCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccccc1Br

STK551557
Synonyms: N- (4- ethoxyphenyl)- 10- methyl- 8- phenyl- 11- (3,4,5- trimethoxyphenyl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cc(OC)c(c(c2)OC)OC)c(nn1c1ccccc1)C

STK551558
Synonyms: (5Z)- 5- {2- [(2- chlorobenzyl)oxy]- 5- nitrobenzylidene}- 4- thioxo- 1,3- thiazolidin- 2- one
Smiles: O=C1NC(=S)/C(=C/c2cc(ccc2OCc2ccccc2Cl)[N+](=O)[O-])/S1

STK551559
Synonyms: 2- iodo- N- {[2- (pyridin- 3- yl)piperidin- 1- yl]carbamothioyl}benzamide
Smiles: S=C(NC(=O)c1ccccc1I)NN1CCCCC1c1cccnc1

STK551560
Synonyms: N- (diphenylmethyl)- 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551561
Synonyms: 2- amino- 4- methyl- 9- (4- nitrophenyl)- 7- oxo- 6,7,8,9- tetrahydrothieno[2,3- b:4,5- b']dipyridine- 3- carbonitrile
Smiles: N#Cc1c(N)nc2c(c1C)sc1c2C(CC(=O)N1)c1ccc(cc1)[N+](=O)[O-]

STK551562
Synonyms: 2- [(4- fluorobenzyl)sulfanyl]- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: Fc1ccc(cc1)CSc1nc(N)c2c(n1)sc1c2CC(OC1)(C)C

STK551563
Synonyms: N- phenyl- 2- (pyridin- 4- yl)quinazolin- 4- amine
Smiles: c1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccncc1

STK551565
Synonyms: N- (2,4- dimethoxyphenyl)- 11- [4- (dimethylamino)phenyl]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccc(c(c1)OC)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)N(C)C)c(nn1c1ccccc1)C

STK551566
Synonyms: 4- {[3- (1H- benzotriazol- 1- yl)- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl]amino}phenyl2- chlorobenzoate
Smiles: O=C1c2ccccc2C(=O)C(=C1Nc1ccc(cc1)OC(=O)c1ccccc1Cl)n1nnc2c1cccc2

STK551567
Synonyms: ethyl3- {[N- (1,3- dioxolan- 2- ylmethyl)- N- methylglycyl]amino}- 5,6- dimethoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN(CC1OCCO1)C)cc(c(c2)OC)OC

STK551569
Synonyms: N- {4- [(5- {(Z)- [1- (furan- 2- ylmethyl)- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene]methyl}- 2- methoxybenzyl)oxy]phenyl}acetamide
Smiles: COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccco1

STK551570
Synonyms: 1- [5- (2- chloro- 7- ethoxyquinolin- 3- yl)- 3- (3,4- dimethoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]ethanone
Smiles: CCOc1ccc2c(c1)nc(c(c2)C1CC(=NN1C(=O)C)c1ccc(c(c1)OC)OC)Cl

STK551571
Synonyms: 2- [4- (propan- 2- yloxy)phenyl]- N- [3- (trifluoromethyl)phenyl]quinazolin- 4- amine
Smiles: CC(Oc1ccc(cc1)c1nc(Nc2cccc(c2)C(F)(F)F)c2c(n1)cccc2)C

STK551572
Synonyms: 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]- N- (3- methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551573
Synonyms: 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (3- methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK551574
Synonyms: N'- [(E)- (4- tert- butylphenyl)methylidene]- 2- [4- (2- chlorobenzyl)piperazin- 1- yl]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1Cl)N/N=C/c1ccc(cc1)C(C)(C)C

STK551576
Synonyms: 2- (4- fluorophenyl)- 5- [4- (pentyloxy)phenyl]- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: CCCCCOc1ccc(cc1)C1Oc2ccccc2C2N1N=C(C2)c1ccc(cc1)F

STK551579
Synonyms: 3- (2- fluorophenyl)- 6- hydroxy- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)- 2- thioxo- 2,3- dihydropyrimidin- 4(1H)- one
Smiles: Fc1ccccc1n1c(=S)[nH]c(c(c1=O)C1NCCc2c1cccc2)O

STK551580
Synonyms: N- (4- butylphenyl)- 11- (3,4- dichlorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)Cl)Cl)c(nn1c1ccccc1)C

STK551581
Synonyms: 3- [(2,2- diethoxyethyl)sulfanyl]- 5- (methylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCOC(CSc1nnc2n1c(SC)nc1c2c2CCCCc2s1)OCC

STK551582
Synonyms: 2- [(4- oxo- 3- propyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]acetamide
Smiles: CCCn1c(SCC(=O)N)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551584
Synonyms: (1'S,2'S,3R,3a'R)- 1'- (2,2- dimethylpropanoyl)- 2'- [(4- propylphenyl)carbonyl]- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: CCCc1ccc(cc1)C(=O)[C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C

STK551585
Synonyms: (2E)- N- {[2- (pyridin- 3- yl)piperidin- 1- yl]carbamothioyl}- 3- (thiophen- 2- yl)prop- 2- enamide
Smiles: S=C(NN1CCCCC1c1cccnc1)NC(=O)/C=C/c1cccs1

STK551586
Synonyms: 2- [(Z)- (5- bromo- 1- ethyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]- 3- (2- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccccc1n1c(/C=C/2\C(=O)N(c3c2cc(Br)cc3)CC)nc2c(c1=O)cccc2

STK551587
Synonyms: 5- {3- (4- bromophenyl)- 5- [4- (dimethylamino)phenyl]- 4,5- dihydro- 1H- pyrazol- 1- yl}- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1ccc(cc1)N(C)C)c1ccc(cc1)Br

STK551588
Synonyms: 2- [(4- bromobenzyl)sulfanyl]- 3- (3- methylphenyl)- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)c1cccc(c1)C)SCc1ccc(cc1)Br)C

STK551591
Synonyms: 1- (3- chloro- 4- methoxyphenyl)- 2- (furan- 2- yl)- 1H- imidazo[4,5- b]quinoxaline
Smiles: COc1ccc(cc1Cl)n1c(nc2c1nc1ccccc1n2)c1ccco1

STK551592
Synonyms: 3- (3- methylphenyl)- 2- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CC(=C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

STK551593
Synonyms: (1'R,2'S)- 2'- (2,4- dichlorophenyl)- 1'- [(4- methoxyphenyl)carbonyl]- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccc(cc1Cl)Cl)C(=O)c1c(C2=O)cccc1

STK551594
Synonyms: 1- [(2- chlorobenzyl)sulfanyl]- 4- (4- methylphenyl)- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1ccc(cc1)n1c(=O)c2c3CCCc3sc2n2c1nnc2SCc1ccccc1Cl

STK551595
Synonyms: N- cyclohexyl- N- methyl- 2- [4- (propan- 2- yloxy)phenyl]quinazolin- 4- amine
Smiles: CC(Oc1ccc(cc1)c1nc2ccccc2c(n1)N(C1CCCCC1)C)C

STK551596
Synonyms: (5Z)- 1- (4- ethylphenyl)- 5- {[1- (3- phenoxypropyl)- 1H- indol- 3- yl]methylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccccc2)/C1=O

STK551598
Synonyms: (2Z)- 2- hydrazinylidene- 9,10- dimethoxy- 2,3,6,7- tetrahydro- 4H- pyrimido[6,1- a]isoquinolin- 4- one
Smiles: COc1cc2c(cc1OC)CCn1c2c/c(=N/N)/[nH]c1=O

STK551600
Synonyms: 2- [(4- fluorobenzyl)sulfanyl]- 3- (4- methoxyphenyl)- 6,6- dimethyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)F)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK551601
Synonyms: 3- ethyl- 6- iodo- 2- [(2- methylprop- 2- en- 1- yl)sulfanyl]quinazolin- 4(3H)- one
Smiles: CCn1c(SCC(=C)C)nc2c(c1=O)cc(cc2)I

STK551602
Synonyms: 4- chloro- N- {3- [4- (2- methoxyphenyl)piperazin- 1- yl]quinoxalin- 2- yl}benzenesulfonamide
Smiles: COc1ccccc1N1CCN(CC1)c1nc2ccccc2nc1NS(=O)(=O)c1ccc(cc1)Cl

STK551604
Synonyms: 3- benzyl- 2- (hexylsulfanyl)- 6- iodoquinazolin- 4(3H)- one
Smiles: CCCCCCSc1nc2ccc(cc2c(=O)n1Cc1ccccc1)I

STK551606
Synonyms: (5Z)- 2- [(4- chlorophenyl)amino]- 5- (2- methoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1ccccc1/C=C/1\SC(=NC1=O)Nc1ccc(cc1)Cl

STK551607
Synonyms: N,N- diethyl- N'- [10- methyl- 8- phenyl- 11- (thiophen- 2- yl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]benzene- 1,4- diamine
Smiles: CCN(c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccs2)c(nn1c1ccccc1)C)CC

STK551608
Synonyms: 3- [(2,4- dichlorobenzyl)sulfanyl]- 10,10- dimethyl- 5- (methylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1Cl)Cl)nn2)CC(OC3)(C)C

STK551609
Synonyms: N,N'- diethyl- 3,5,6- trifluoro- N,N'- diphenylpyridine- 2,4- diamine
Smiles: CCN(c1nc(F)c(c(c1F)N(c1ccccc1)CC)F)c1ccccc1

STK551610
Synonyms: 2- amino- 1- (2,4- dimethoxyphenyl)- N- (3- methoxypropyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COCCCNC(=O)c1c2nc3ccccc3nc2n(c1N)c1ccc(cc1OC)OC

STK551612
Synonyms: (8S,8aR,11aS,11bS)- 8- (2,2- dimethylpropanoyl)- 10- (4- methoxyphenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C(C)(C)C

STK551614
Synonyms: (8R,8aS,11aR)- 8- (2,2- dimethylpropanoyl)- 10- (4- fluorophenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=N1)C(=O)C(C)(C)C

STK551615
Synonyms: (5Z)- 5- ({1- [2- (4- chlorophenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 1- (4- fluorophenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2ccc(cc2)Cl)/C1=O

STK551616
Synonyms: 4- chloro- 6- ethyl- 6- methyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(Cl)nc(nc1s2)SC

STK551617
Synonyms: 2- (3,4- dimethoxyphenyl)- 7- ethoxy- 4- (4- ethylpiperazin- 1- yl)- 6- methoxyquinazoline
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CCN(CC1)CC)c1ccc(c(c1)OC)OC

STK551618
Synonyms: (5Z)- 5- ({1- [2- (2- chlorophenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 1- (4- fluorophenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2ccccc2Cl)/C1=O

STK551621
Synonyms: 1- (2- hydroxyethyl)- 2- imino- N- (4- methylbenzyl)- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: OCCn1c(=N)c(cc2c1nc1ccccn1c2=O)C(=O)NCc1ccc(cc1)C

STK551623
Synonyms: 1- (dimethylamino)- 3- (2- methylphenoxy)propan- 2- ol
Smiles: CN(CC(COc1ccccc1C)O)C

STK551624
Synonyms: (5Z)- 5- {4- [(4- chlorobenzyl)oxy]- 3- methoxybenzylidene}- 3- [3- (morpholin- 4- yl)- 3- oxopropyl]- 1,3- thiazolidine- 2,4- dione
Smiles: COc1cc(ccc1OCc1ccc(cc1)Cl)/C=C/1\SC(=O)N(C1=O)CCC(=O)N1CCOCC1

STK551625
Synonyms: ethyl1,5- bis(2- methoxyphenyl)- 4,6- dioxo- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccccc1OC)c1ccccc1OC

STK551626
Synonyms: N- {3- [bis(2- methylpropyl)amino]- 2- hydroxypropyl}- 4- methyl- N- (3- nitrophenyl)benzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccc(cc1)C)c1cccc(c1)[N+](=O)[O-])CN(CC(C)C)CC(C)C

STK551627
Synonyms: (2Z)- 3- (4- chlorophenyl)- N- [(9,10- dioxo- 9,10- dihydroanthracen- 2- yl)carbamothioyl]prop- 2- enamide
Smiles: S=C(Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1)NC(=O)/C=C\c1ccc(cc1)Cl

STK551628
Synonyms: 2- (4- ethylphenyl)- 5,6- diphenyl- 1- propyl- 1H- imidazo[1,2- a]imidazole
Smiles: CCCn1c(cn2c1nc(c2c1ccccc1)c1ccccc1)c1ccc(cc1)CC

STK551629
Synonyms: (5Z)- 1- (4- ethylphenyl)- 5- ({1- [2- (4- methoxyphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2ccc(cc2)OC)/C1=O

STK551630
Synonyms: 2- (diethylamino)ethyl4- ({(Z)- 2- cyano- 2- [4- (2,4- dimethylphenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzoate
Smiles: CCN(CCOC(=O)c1ccc(cc1)N/C=C(\c1scc(n1)c1ccc(cc1C)C)/C#N)CC

STK551631
Synonyms: 1- chloro- 4- (4- chlorophenyl)- N,N- diethyl- 2- [(2- nitrophenyl)sulfanyl]- 2,3,3a,4,5,9b- hexahydro- 1H- cyclopenta[c]quinoline- 8- carboxamide
Smiles: CCN(C(=O)c1ccc2c(c1)C1C(Cl)C(CC1C(N2)c1ccc(cc1)Cl)Sc1ccccc1[N+](=O)[O-])CC

STK551632
Synonyms: 7- (azepan- 1- yl)- N- (3- bromo- 4- methylphenyl)- 4- nitro- 2,1,3- benzoxadiazol- 5- amine
Smiles: [O-][N+](=O)c1c(Nc2ccc(c(c2)Br)C)cc(c2c1non2)N1CCCCCC1

STK551633
Synonyms: 8- hydrazinyl- 2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: NNc1ncnc2c1sc1c2c2CC(C)(C)SCc2c(n1)N1CCOCC1

STK551635
Synonyms: 7,9- dibromo- 5- phenyl- 2- (thiophen- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Brc1cc2C3CC(=NN3C(Oc2c(c1)Br)c1ccccc1)c1cccs1

STK551636
Synonyms: 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- phenylpropanamide
Smiles: C=CCn1c(SC(C(=O)Nc2ccccc2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551637
Synonyms: [1- amino- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinolin- 2- yl](piperidin- 1- yl)methanone
Smiles: O=C(c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1)N1CCCCC1

STK551638
Synonyms: 5- (3- chlorophenyl)- 3- (3- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1cccc(c1)N1C(=O)C2C(C1=O)ON(C2c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK551640
Synonyms: N~4~- (2- fluorophenyl)- N~2~- (4- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1ccc(cc1)Nc1nc(Nc2ccccc2F)c(c(n1)N)[N+](=O)[O-]

STK551642
Synonyms: methyl4- ({(2E)- 3- (3,4- diethoxyphenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}amino)benzoate
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)Nc1ccc(cc1)C(=O)OC)/NC(=O)c1ccccc1

STK551643
Synonyms: 1- (4- {[7- (ethylamino)- 4- nitro- 2,1,3- benzoxadiazol- 5- yl]amino}phenyl)ethanone
Smiles: CCNc1cc(Nc2ccc(cc2)C(=O)C)c(c2c1non2)[N+](=O)[O-]

STK551645
Synonyms: (8R,8aS,11aR)- 8- [(4- methoxyphenyl)carbonyl]- 10- [2- (trifluoromethyl)phenyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1C(F)(F)F)cccc3

STK551646
Synonyms: N- (4- butylphenyl)- 11- (2,3- dimethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2OC)OC)c(nn1c1ccccc1)C

STK551647
Synonyms: 1- (1- benzyl- 5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- [4- (4- methoxyphenyl)- 3- methylpiperazin- 1- yl]ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(C(C1)C)c1ccc(cc1)OC)c(n2Cc1ccccc1)C

STK551648
Synonyms: (9E)- 3- (4- fluorophenyl)- 9- (4- methoxybenzylidene)- 5- (4- methoxyphenyl)- 7- methyl- 6,7,8,9- tetrahydro- 5H- pyrido[4,3- d][1,3]thiazolo[3,2- a]pyrimidine
Smiles: COc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)F)/C(=C/c1ccc(cc1)OC)/CN(C2)C

STK551649
Synonyms: 4- fluoro- N'- [(3Z)- 2- oxo- 1- {[2- (pyridin- 3- yl)piperidin- 1- yl]methyl}- 1,2- dihydro- 3H- indol- 3- ylidene]benzohydrazide
Smiles: Fc1ccc(cc1)C(=O)N/N=C\1/c2ccccc2N(C1=O)CN1CCCCC1c1cccnc1

STK551650
Synonyms: 2- [4- (2- methylpropoxy)phenyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexane]
Smiles: CC(COc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2)C

STK551652
Synonyms: 4- butyl- 7- {[(2E)- 3- phenylprop- 2- en- 1- yl]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)ncnc3SC/C=C/c1ccccc1

STK551653
Synonyms: 2- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)- N'- [(1E)- 1- (thiophen- 2- yl)ethylidene]acetohydrazide
Smiles: O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)N/N=C(/c1cccs1)\C

STK551657
Synonyms: (2- bromophenyl)[5- (furan- 2- yl)- 3- (4- methylphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]methanone
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)c1ccccc1Br

STK551659
Synonyms: 1- (5- {[(2- chlorobenzyl)sulfanyl]methyl}- 1,3,4- thiadiazol- 2- yl)- 3- (4- ethoxyphenyl)urea
Smiles: CCOc1ccc(cc1)NC(=O)Nc1nnc(s1)CSCc1ccccc1Cl

STK551660
Synonyms: 4- ({(E)- 2- [4- (3- bromophenyl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)- N- carbamoylbenzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)NC(=O)N)/c1scc(n1)c1cccc(c1)Br

STK551661
Synonyms: (5Z)- 1- (furan- 2- ylmethyl)- 5- [(1- {3- [5- methyl- 2- (propan- 2- yl)phenoxy]propyl}- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Cc1ccc(c(c1)OCCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccco1)C(C)C

STK551662
Synonyms: 1- benzyl- N- cyclohexyl- 2- imino- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: O=C(c1cc2c(n(c1=N)Cc1ccccc1)nc1n(c2=O)cccc1)NC1CCCCC1

STK551664
Synonyms: N- (4- acetylphenyl)- 2- [(4- amino- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nc(N)c2c(n1)sc1c2CC(OC1)(C)C

STK551669
Synonyms: N- (3- chlorophenyl)- 2- [4- (propan- 2- yloxy)phenyl]quinazolin- 4- amine
Smiles: CC(Oc1ccc(cc1)c1nc(Nc2cccc(c2)Cl)c2c(n1)cccc2)C

STK551670
Synonyms: 2- {[5- (methylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)NCCc1ccccc1)nn2)CCCC3

STK551671
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (4- tert- butylphenyl)methylidene]- 5- [(4- methylpiperidin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CC1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)C(C)(C)C

STK551674
Synonyms: ethyl{[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK551675
Synonyms: 2- [(3- methylbenzyl)sulfanyl]- 3- (2- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1cccc(c1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3

STK551676
Synonyms: N'- [(1E)- 1- (3- hydroxyphenyl)ethylidene]pyridine- 3- carbohydrazide
Smiles: Oc1cccc(c1)/C(=N/NC(=O)c1cccnc1)/C

STK551677
Synonyms: 2- (2- chlorophenyl)- 4- (prop- 2- en- 1- yloxy)quinazoline
Smiles: C=CCOc1nc(nc2c1cccc2)c1ccccc1Cl

STK551678
Synonyms: 2- {[3- (4- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)NCCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK551679
Synonyms: methyl5- (4- bromophenyl)- 1- (2- chlorophenyl)- 4,6- dioxo- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: COC(=O)C1=NN(C2C1C(=O)N(C2=O)c1ccc(cc1)Br)c1ccccc1Cl

STK551680
Synonyms: N- {3- [bis(2- methylpropyl)amino]- 2- hydroxypropyl}- N- (2- methoxy- 5- nitrophenyl)benzenesulfonamide
Smiles: COc1ccc(cc1N(S(=O)(=O)c1ccccc1)CC(CN(CC(C)C)CC(C)C)O)[N+](=O)[O-]

STK551681
Synonyms: N- [4- (benzyloxy)phenyl]- 2- (4- phenylpiperazin- 1- yl)acetamide
Smiles: O=C(Nc1ccc(cc1)OCc1ccccc1)CN1CCN(CC1)c1ccccc1

STK551682
Synonyms: 2- [5- (3- bromophenyl)- 3- (2- methoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 6- chloro- 4- phenylquinazoline
Smiles: COc1ccccc1C1=NN(C(C1)c1cccc(c1)Br)c1nc2ccc(cc2c(n1)c1ccccc1)Cl

STK551683
Synonyms: 2- [(3- methylbenzyl)sulfanyl]- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCn1c(SCc2cccc(c2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK551684
Synonyms: N~2~- (3- chlorophenyl)- N~4~- (2- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Clc1cccc(c1)Nc1nc(N)c(c(n1)Nc1ccccc1F)[N+](=O)[O-]

STK551686
Synonyms: (2'S,3S,3'S,10b'R)- 3'- (2,2- dimethylpropanoyl)- 2'- [(4- propylphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: CCCc1ccc(cc1)C(=O)[C@@H]1[C@H](N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C(=O)C(C)(C)C

STK551687
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (phenoxymethyl)- N'- [(E)- pyridin- 3- ylmethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1COc1ccccc1)c1nonc1N)N/N=C/c1cccnc1

STK551688
Synonyms: 3- (4- methoxyphenyl)- 2- [(3- methylbenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: COc1ccc(cc1)n1c(SCc2cccc(c2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1