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

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STK525344
Synonyms: 1- azabicyclo[2.2.2]oct- 3- yl(4- chlorophenyl)phenylmethanol
Smiles: Clc1ccc(cc1)C(C1CN2CC[C@H]1CC2)(c1ccccc1)O

STK525351
Synonyms: 2- {[4- (dibutylamino)- 2- hydroxyphenyl]carbonyl}benzoicacid
Smiles: CCCCN(c1ccc(c(c1)O)C(=O)c1ccccc1C(=O)O)CCCC

STK525353
Synonyms: dimethyl2,2'- (2- carbamoylhydrazine- 1,1- diyl)diacetate
Smiles: COC(=O)CN(NC(=O)N)CC(=O)OC

STK832913
Synonyms: 2- hydroxy- N- (5- methyl- 1,3,4- thiadiazol- 2- yl)benzamide
Smiles: Cc1nnc(s1)NC(=O)c1ccccc1O

STK525357
Synonyms: 3,5- dioxopiperazine- 1- carbaldehyde
Smiles: O=CN1CC(=O)NC(=O)C1

STK832920
Synonyms: 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 3- (prop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK832921
Synonyms: 3- amino- N- (4- methoxyphenyl)- 6- phenylthieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1sc2c(c1N)ccc(n2)c1ccccc1

STK525371
Synonyms: 3- (diethylamino)propylbenzoate
Smiles: CCN(CCCOC(=O)c1ccccc1)CC

STK525373
Synonyms: 4- ethyl- 2,6- dimethylpyridin- 3- ol
Smiles: CCc1cc(C)nc(c1O)C

STK525374
Synonyms: 3- [4- (3- methylbutoxy)phenyl]- 3- {[(4- methylphenyl)sulfonyl]amino}propanoicacid
Smiles: CC(CCOc1ccc(cc1)C(NS(=O)(=O)c1ccc(cc1)C)CC(=O)O)C

STK525377
Synonyms: 2- [(E)- (2- {[(1,3- benzodioxol- 5- ylcarbonyl)amino]acetyl}hydrazinylidene)methyl]- 4- bromophenyl(2Z)- 3- (furan- 2- yl)prop- 2- enoate(non- preferredname)
Smiles: O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C/c1cc(Br)ccc1OC(=O)/C=C\c1ccco1

STK525382
Synonyms: 2- (hydroxyamino)- 2- methyl- 1- (thiophen- 2- yl)propan- 1- one
Smiles: ONC(C(=O)c1cccs1)(C)C

STK525384
Synonyms: 1- (1,5- dihydro- 2,4- benzodioxepin- 3- ylmethyl)pyrrolidine
Smiles: C1CCN(C1)CC1OCc2c(CO1)cccc2

STK525385
Synonyms: 6- bromo- N- (2- phenylethyl)- 2,3,4,9- tetrahydro- 1H- carbazol- 1- amine
Smiles: Brc1ccc2c(c1)c1CCCC(c1[nH]2)NCCc1ccccc1

STK525386
Synonyms: 4,7- di- tert- butyl- 2,2- dimethyl- 1,3- benzodioxole
Smiles: CC(c1ccc(c2c1OC(O2)(C)C)C(C)(C)C)(C)C

STK832923
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- N- (2- phenylethyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d][1,2,3]triazin- 8- amine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1nnnc2NCCc1ccccc1

STK832924
Synonyms: (5- hydroxynaphtho[1,2- b]furan- 3- yl)(4- methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)c1coc2c1cc(O)c1c2cccc1

STK525391
Synonyms: (2E,4E)- 4- (4- bromobenzylidene)- 3- methylpent- 2- enedioicacid
Smiles: OC(=O)/C=C(/C(=C\c1ccc(cc1)Br)/C(=O)O)\C

STK525394
Synonyms: (4Z,6Z)- 5,6- bis(bromomethyl)- 3,8- dioxa- 4,7- diazadeca- 4,6- diene- 2,9- dione
Smiles: BrC/C(=N\OC(=O)C)/C(=N/OC(=O)C)/CBr

STK525396
Synonyms: diethyl{(1E)- 2- amino- 2- oxo- N- [(phenylcarbonyl)oxy]ethanimidoyl}phosphonate
Smiles: CCOP(=O)(/C(=N/OC(=O)c1ccccc1)/C(=O)N)OCC

STK832928
Synonyms: 2- [(E)- (5- methyl- 2- oxo- 1- propyl- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]quinazolin- 4(3H)- one
Smiles: CCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)[nH]2)/c2c1ccc(c2)C

STK832929
Synonyms: methyl(6- propoxy- 1,3- benzothiazol- 2- yl)carbamate
Smiles: CCCOc1ccc2c(c1)sc(n2)NC(=O)OC

STK525401
Synonyms: N- (7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- b]thieno[3,2- e]pyridin- 3- yl)benzamide
Smiles: O=C(c1ccccc1)Nc1csc2c1cc1COC(Cc1n2)(C)C

STK525402
Synonyms: 4- [2,2- bis(2- methoxy- 2- oxoethyl)hydrazinyl]- 4- oxobutanoicacid
Smiles: COC(=O)CN(CC(=O)OC)NC(=O)CCC(=O)O

STK525418
Synonyms: (2S)- 2- (4- hydroxyphthalazin- 1- yl)propanoicacid
Smiles: OC(=O)[C@H](c1nnc(c2c1cccc2)O)C

STK832937
Synonyms: ethyl{[4- (cyanoamino)- 6- (ethylamino)- 1,3,5- triazin- 2- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc(NCC)nc(n1)NC#N

STK525423
Synonyms: 5- butyl- 8,8- dimethyl- 3,6,8,9- tetrahydropyrazolo[3,4- b]thiopyrano[4,3- d]pyridin- 1- amine
Smiles: CCCCc1nc2[nH]nc(c2c2c1CSC(C2)(C)C)N

STK832940
Synonyms: 2,4,5,10- tetrahydropyrazolo[3,4- a]carbazole
Smiles: [nH]1cc2c(n1)c1[nH]c3c(c1CC2)cccc3

STK525427
Synonyms: 6- amino- 2- methyl- 8- (5- methylthiophen- 2- yl)- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCN(C2)C)c1ccc(s1)C)(C#N)C#N

STK525430
Synonyms: 3- (butylsulfanyl)- 6,6,7- trimethyl- 1- (morpholin- 4- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: CCCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(N(C2)C)(C)C

STK525434
Synonyms: 4- [(dimethylamino)methyl]- 3- [hydroxy(4- methylphenyl)methyl]- 1- benzofuran- 5- ol
Smiles: CN(Cc1c(O)ccc2c1c(co2)C(c1ccc(cc1)C)O)C

STK525435
Synonyms: 7- benzyl- 1- (benzylamino)- 3- (pentylamino)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: CCCCCNc1nc(NCc2ccccc2)c2c(c1C#N)CCN(C2)Cc1ccccc1

STK525436
Synonyms: 5- amino- 5- oxo- 3- [4- (pentyloxy)phenyl]pentanoicacid
Smiles: CCCCCOc1ccc(cc1)C(CC(=O)O)CC(=O)N

STK525441
Synonyms: 1- (benzylamino)- 7- ethyl- 3- (morpholin- 4- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: CCN1CCc2c(C1)c(NCc1ccccc1)nc(c2C#N)N1CCOCC1

STK525442
Synonyms: 3- (4- butyl- 3,5- dimethyl- 1H- pyrazol- 1- yl)- 5- methyl- 5H- [1,2,4]triazino[5,6- b]indole
Smiles: CCCCc1c(C)nn(c1C)c1nnc2c(n1)n(C)c1c2cccc1

STK832941
Synonyms: 2- amino- 3H- phenothiazin- 3- one
Smiles: O=c1cc2sc3ccccc3nc2cc1N

STK525447
Synonyms: ethyl5- methoxy- 3- {[N- (1,3,4- thiadiazol- 2- yl)glycyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CNc1nncs1)cc(cc2)OC

STK525448
Synonyms: 3- (azepan- 1- yl)- 1- (4- methylphenyl)propan- 1- one
Smiles: O=C(c1ccc(cc1)C)CCN1CCCCCC1

STK525451
Synonyms: N- [(1S,2R)- 2- phenylcyclopropyl]acetamide
Smiles: CC(=O)N[C@H]1C[C@@H]1c1ccccc1

STK525454
Synonyms: 1- (ethylsulfanyl)- 4- phenyl- 7,8,9,10- tetrahydro- 6H- cyclohepta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCCC3

STK832949
Synonyms: (2,5- dimethoxyphenyl)(5- hydroxynaphtho[1,2- b]furan- 3- yl)methanone
Smiles: COc1ccc(cc1C(=O)c1coc2c1cc(O)c1c2cccc1)OC

STK525457
Synonyms: N- (5,5- dimethyl- 2- sulfido- 1,3,2- dioxaphosphinan- 2- yl)pyridin- 2- amine
Smiles: CC1(C)COP(=S)(OC1)Nc1ccccn1

STK525458
Synonyms: 2,6- diamino- 4- (2,4,6- trimethoxyphenyl)- 4H- thiopyran- 3,5- dicarbonitrile
Smiles: N#CC1=C(N)SC(=C(C1c1c(OC)cc(cc1OC)OC)C#N)N

STK832952
Synonyms: N- ({1- [4- (2- methylpropoxy)phenyl]cyclopentyl}methyl)- 2,2- diphenylacetamide
Smiles: CC(COc1ccc(cc1)C1(CCCC1)CNC(=O)C(c1ccccc1)c1ccccc1)C

STK832953
Synonyms: 1- cyclohexyl- 3- naphthalen- 1- ylurea
Smiles: O=C(Nc1cccc2c1cccc2)NC1CCCCC1

STK525462
Synonyms: 4,5- diaminonaphthalene- 1- sulfonicacid
Smiles: Nc1ccc(c2c1c(N)ccc2)S(=O)(=O)O

STK525466
Synonyms: ethyl5,9- dihydroxy- 1- (3- hydroxypropyl)- 2- methyl- 1H- benzo[g]indole- 3- carboxylate
Smiles: OCCCn1c(C)c(c2c1c1c(O)cccc1c(c2)O)C(=O)OCC

STK525467
Synonyms: {2- [(E)- 2- (dimethylamino)ethenyl]- 5- methoxy- 1- benzofuran- 3- yl}(4- methylphenyl)methanone
Smiles: COc1ccc2c(c1)c(c(o2)/C=C/N(C)C)C(=O)c1ccc(cc1)C

STK525469
Synonyms: 2- {[5- (butan- 2- yl)- 4- hydroxy- 6- oxo- 1,6- dihydropyrimidin- 2- yl]sulfanyl}- N- (2- methoxyphenyl)acetamide
Smiles: CCC(c1c(O)nc([nH]c1=O)SCC(=O)Nc1ccccc1OC)C

STK525474
Synonyms: 6- amino- 4- {4- methoxy- 3- [(4- nitro- 1H- pyrazol- 1- yl)methyl]phenyl}- 3- methyl- 1- (4- methylphenyl)- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Cn1ncc(c1)[N+](=O)[O-])OC)c(C)nn2c1ccc(cc1)C

STK832960
Synonyms: 7- methyl- 2,4,5,10- tetrahydropyrazolo[3,4- a]carbazole
Smiles: Cc1ccc2c(c1)c1CCc3c(c1[nH]2)n[nH]c3

STK525477
Synonyms: naphthalene- 1,8- dicarboxylicacid
Smiles: OC(=O)c1cccc2c1c(ccc2)C(=O)O

STK525481
Synonyms: (2Z,4E)- 4- [(5- bromofuran- 2- yl)methylidene]- 3- methylpent- 2- enedioicacid
Smiles: OC(=O)/C=C(\C(=C/c1ccc(o1)Br)\C(=O)O)/C

STK832961
Synonyms: 2- (benzylsulfanyl)- 3- cyclopentyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: O=c1n(C2CCCC2)c(SCc2ccccc2)nc2c1C1(CCCC1)Cc1c2cccc1

STK832962
Synonyms: (5- methoxy- 2- methyl- 1- benzofuran- 3- yl)(4- methylphenyl)methanone
Smiles: COc1ccc2c(c1)c(c(o2)C)C(=O)c1ccc(cc1)C

STK525484
Synonyms: 6- (benzylsulfanyl)- 3,3- dimethyl- 8- (morpholin- 4- yl)- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(SCc2ccccc2)nc(c2c1CC(C)(C)SC2)N1CCOCC1

STK525485
Synonyms: methyl{[4- (cyanoamino)- 6- (propan- 2- ylamino)- 1,3,5- triazin- 2- yl]sulfanyl}acetate
Smiles: N#CNc1nc(SCC(=O)OC)nc(n1)NC(C)C

STK525486
Synonyms: 6- (butylsulfanyl)- 3,3- dimethyl- 8- (morpholin- 4- yl)- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(SC2)(C)C

STK525487
Synonyms: 3- amino- 9- hydroxy- 1- (thiophen- 3- yl)- 1H- benzo[f]chromene- 2- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cscc1)c1cc(O)ccc1cc2

STK525501
Synonyms: [(2E)- 2- {(2Z)- [1- (4- ethoxyphenyl)ethylidene]hydrazinylidene}- 4- oxo- 1,3- thiazolidin- 5- yl]aceticacid
Smiles: CCOc1ccc(cc1)/C(=N\N=C/1\SC(C(=O)N1)CC(=O)O)/C

STK525503
Synonyms: 3- [4- (acetylamino)phenyl]- N- (furan- 2- ylmethyl)oxirane- 2,2- dicarboxamide
Smiles: CC(=O)Nc1ccc(cc1)C1OC1(C(=O)N)C(=O)NCc1ccco1

STK525506
Synonyms: [(3E)- 3- (ethoxymethylidene)- 1,3- dihydro- 2H- indol- 2- ylidene]propanedinitrile
Smiles: CCO/C=c\1/c(=C(C#N)C#N)[nH]c2c1cccc2

STK525507
Synonyms: (2E)- 2- (furan- 2- ylmethylidene)- N- nitrohydrazinecarboximidamide
Smiles: N=C(N[N+](=O)[O-])N/N=C/c1ccco1

STK525508
Synonyms: N- (phenylcarbamothioyl)glutamicacid
Smiles: S=C(Nc1ccccc1)NC(C(=O)O)CCC(=O)O

STK832973
Synonyms: 6,9- dimethyl- 2,3,4,9- tetrahydro- 1H- carbazole- 1- carbonitrile
Smiles: N#CC1CCCc2c1n(C)c1c2cc(cc1)C

STK832974
Synonyms: 1- (3- fluorophenyl)- 4- (morpholin- 4- yl)- 1- phenylbut- 2- yn- 1- ol
Smiles: Fc1cccc(c1)C(c1ccccc1)(C#CCN1CCOCC1)O

STK525512
Synonyms: ethyl4- [(1R,2S)- 2- phenylcyclopropyl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)[C@@H]1C[C@@H]1c1ccccc1

STK525515
Synonyms: 2- (4- methoxyphenyl)- 2H- benzotriazole
Smiles: COc1ccc(cc1)n1nc2c(n1)cccc2

STK525516
Synonyms: 2- chlorocyclopentyl2,3,5,6- tetramethylphenylsulfide
Smiles: ClC1CCCC1Sc1c(C)c(C)cc(c1C)C

STK525518
Synonyms: (2E,4E)- 4- (4- fluorobenzylidene)- 3- methylpent- 2- enedioicacid
Smiles: OC(=O)/C=C(/C(=C\c1ccc(cc1)F)/C(=O)O)\C

STK525519
Synonyms: 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 3- (4- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK525524
Synonyms: [(dodecylimino)dimethanediyl]bis(phosphonicacid)
Smiles: CCCCCCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O

STK525527
Synonyms: 3,3- dimethyl- 6- oxo- 8- phenyl- 3,4,6,7- tetrahydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(=O)[nH]c(c2c1CC(C)(C)SC2)c1ccccc1

STK525529
Synonyms: (5Z)- 5- (hydroxyimino)- 3,4,4- trimethyl- 1- phenylimidazolidin- 2- one
Smiles: O/N=C/1\N(c2ccccc2)C(=O)N(C1(C)C)C

STK525530
Synonyms: 3,5- di- tert- butyl- 4- hydroxybenzylcarbamimidothioate
Smiles: NC(=N)SCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK832986
Synonyms: (3- amino- 4- chlorophenyl)(thiophen- 2- yl)methanone
Smiles: Clc1ccc(cc1N)C(=O)c1cccs1

STK525534
Synonyms: [2- (benzyloxy)- 5- fluorophenyl][3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)oxiran- 2- yl]methanone
Smiles: Fc1ccc(c(c1)C(=O)C1OC1c1ccc2c(c1)OCCO2)OCc1ccccc1

STK525535
Synonyms: (2E)- 4- [(9,10- dioxo- 9,10- dihydroanthracen- 2- yl)amino]- 4- oxobut- 2- enoicacid
Smiles: O=C(Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1)/C=C/C(=O)O

STK525538
Synonyms: 3- (benzylamino)- 1- ethyl- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: N#Cc1c(NCc2ccccc2)nc(c2c1CCCC2)CC

STK525540
Synonyms: (2E)- 3- [4- (difluoromethoxy)- 3- methoxyphenyl]- 1- (3,4- dimethoxyphenyl)prop- 2- en- 1- one
Smiles: COc1cc(/C=C/C(=O)c2ccc(c(c2)OC)OC)ccc1OC(F)F

STK525542
Synonyms: 2- phenyl- 1- (4- propoxyphenyl)- 3- (pyrrolidin- 1- yl)propan- 1- ol
Smiles: CCCOc1ccc(cc1)C(C(c1ccccc1)CN1CCCC1)O

STK525543
Synonyms: bis(3- methylphenyl)(3- chloro- 4- methoxyphenyl)phosphoramidate
Smiles: COc1ccc(cc1Cl)NP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C

STK525546
Synonyms: butyl1- amino- 8,8- dimethyl- 5- (morpholin- 4- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxylate
Smiles: CCCCOC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK525547
Synonyms: 7- {2,3- bis[(3- fluorobenzyl)oxy]propyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1cccc(c1)COC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)COCc1cccc(c1)F

STK832989
Synonyms: 4- phenyl- 1H- imidazole- 1,2- diamine
Smiles: Nn1cc(nc1N)c1ccccc1

STK525554
Synonyms: 4,8- bis{[(4- methylphenyl)sulfonyl]methyl}- 6- nitro- 1,4,8- triazabicyclo[4.3.1]decane
Smiles: Cc1ccc(cc1)S(=O)(=O)CN1CCN2CC(C1)(CN(C2)CS(=O)(=O)c1ccc(cc1)C)[N+](=O)[O-]

STK525556
Synonyms: quinolin- 7- ol
Smiles: Oc1ccc2c(c1)nccc2

STK832993
Synonyms: 3- (2- chlorobenzyl)- 4- oxo- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]indolizine- 10- carbonitrile
Smiles: N#Cc1c2CCCCn2c2c1ncn(c2=O)Cc1ccccc1Cl

STK525559
Synonyms: 1- (3- chloro- 4- methoxybenzyl)guanidine
Smiles: COc1ccc(cc1Cl)CNC(=N)N

STK525561
Synonyms: 2- (4- benzylphenyl)- 3- [(E)- (4- chlorophenyl)diazenyl]- 1H- indole
Smiles: Clc1ccc(cc1)/N=N/c1c([nH]c2c1cccc2)c1ccc(cc1)Cc1ccccc1

STK525564
Synonyms: 1- [3- (diphenylamino)- 2- hydroxypropyl]guanidine
Smiles: OC(CN(c1ccccc1)c1ccccc1)CNC(=N)N

STK525565
Synonyms: 5- ethyl- 2,2- dimethyl- N- (tetrahydrofuran- 2- ylmethyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3NCC1CCCO1

STK525569
Synonyms: 2- phenyl- N'- (5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl)acetohydrazide
Smiles: O=C(Cc1ccccc1)NNc1ncnc2c1c1CCCCc1s2

STK525572
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- 8- (piperazin- 1- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2N1CCNCC1

STK833001
Synonyms: ethyl2- [(3- chloropropanoyl)amino]- 5,5- dimethyl- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxylate
Smiles: ClCCC(=O)Nc1sc2c(c1C(=O)OCC)CC(OC2)(C)C

STK525578
Synonyms: 2- [(2- methylpropyl)sulfanyl]pyrimidinediium- 4,6- diolate
Smiles: CC(CSc1[nH+]c([O-])cc([nH+]1)[O-])C

STK525580
Synonyms: 3- (tert- butylsulfanyl)thiophene- 2- carboxylicacid
Smiles: OC(=O)c1sccc1SC(C)(C)C

STK525581
Synonyms: diphenyl(propan- 2- yloxy)aceticacid
Smiles: CC(OC(c1ccccc1)(c1ccccc1)C(=O)O)C

STK525583
Synonyms: 1- (4- methoxybenzyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1)CN1C(=O)CC(=O)NC1=O

STK525586
Synonyms: (2- methyl- 3- oxobutan- 2- yl)propanedioicacid
Smiles: OC(=O)C(C(C(=O)C)(C)C)C(=O)O

STK525589
Synonyms: 3- (2- phenylethyl)- 2- [(2- phenylethyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: O=c1n(CCc2ccccc2)c(SCCc2ccccc2)nc2c1C1(CCCC1)Cc1c2cccc1

STK525591
Synonyms: 1- methylpiperidine- 3- carbohydrazide
Smiles: NNC(=O)C1CCCN(C1)C

STK525592
Synonyms: 7,7- dimethyl- 6,9- dihydro- 7H- pyrano[3',4':4,5]furo[3,2- d]pyrimidine- 4(1H)- thione
Smiles: S=c1nc[nH]c2c1oc1c2COC(C1)(C)C

STK525597
Synonyms: 3- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)- N'- [(E)- pyridin- 4- ylmethylidene]propanehydrazide
Smiles: O=C(CCn1cnc2c1c(=O)n(C)c(=O)n2C)N/N=C/c1ccncc1

STK525598
Synonyms: 4- ({3- [(5E)- 5- (3- {3- [(4- carboxyphenyl)amino]- 3- oxopropyl}- 2- oxo- 4- thioxo- 1,3- thiazolidin- 5- ylidene)- 2- oxo- 4- thioxo- 1,3- thiazolidin- 3- yl]propanoyl}amino)benzoicacid
Smiles: O=C(Nc1ccc(cc1)C(=O)O)CCN1C(=O)S/C(=C\2/SC(=O)N(C2=S)CCC(=O)Nc2ccc(cc2)C(=O)O)/C1=S

STK833010
Synonyms: N- [4- (piperidin- 1- yl)phenyl]benzo[g]quinolin- 4- amine
Smiles: C1CCN(CC1)c1ccc(cc1)Nc1ccnc2c1cc1ccccc1c2

STK833014
Synonyms: 1,1'- (3,7- diacetyl- 1,3,5,7- tetrazocane- 1,5- diyl)bis(3- chloropropan- 1- one)
Smiles: ClCCC(=O)N1CN(CN(CN(C1)C(=O)C)C(=O)CCCl)C(=O)C

STK525608
Synonyms: dimethyl2- bromo- 5- nitrobenzene- 1,4- dicarboxylate
Smiles: COC(=O)c1cc([N+](=O)[O-])c(cc1Br)C(=O)OC

STK833018
Synonyms: 7- cyclohexyl- 1,4- dihydrocyclopenta[b]indol- 3(2H)- one
Smiles: O=C1CCc2c1[nH]c1c2cc(cc1)C1CCCCC1

STK525614
Synonyms: ethyl2- (4- aminophenyl)- 3,3,3- trifluoro- 2- hydroxypropanoate
Smiles: CCOC(=O)C(C(F)(F)F)(c1ccc(cc1)N)O

STK525615
Synonyms: N- ({4- [(3- methylbutanoyl)amino]phenyl}sulfonyl)pentanamide
Smiles: CCCCC(=O)NS(=O)(=O)c1ccc(cc1)NC(=O)CC(C)C

STK525617
Synonyms: 4,4',4''- [(2- hydroxybenzene- 1,3,5- triyl)trimethanediyl]tris(2,6- di- tert- butylphenol)
Smiles: Oc1c(cc(cc1Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK833025
Synonyms: 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 3- methyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Clc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1C)CCCCC3

STK525624
Synonyms: 5- ethoxy- 1,2- dimethyl- 1H- benzimidazole
Smiles: CCOc1ccc2c(c1)nc(n2C)C

STK833028
Synonyms: 5- acetyl- 2- methoxybenzylcarbamimidothioate
Smiles: COc1ccc(cc1CSC(=N)N)C(=O)C

STK525631
Synonyms: 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)ncn2c1nnn2

STK525633
Synonyms: 3- chloro- N- [5- (chloroacetyl)- 10,11- dihydro- 5H- dibenzo[b,f]azepin- 3- yl]propanamide
Smiles: ClCCC(=O)Nc1ccc2c(c1)N(C(=O)CCl)c1ccccc1CC2

STK525634
Synonyms: 2- {[(E)- (4- methoxyphenyl)methylidene]amino}- 1- (4- nitrophenyl)propane- 1,3- diol
Smiles: COc1ccc(cc1)/C=N/C(C(c1ccc(cc1)[N+](=O)[O-])O)CO

STK525636
Synonyms: 2- amino- 4- {[2- (3,4- dimethoxyphenyl)- 2- oxoethyl]sulfanyl}- 6- (methylsulfanyl)pyrimidine- 5- carbonitrile
Smiles: COc1cc(ccc1OC)C(=O)CSc1nc(N)nc(c1C#N)SC

STK525637
Synonyms: 4'- {[(E)- phenylmethylidene]amino}- 3',4'- dihydro- 1'H- spiro[cyclohexane- 1,2'- naphthalene]- 3'- carbonitrile
Smiles: N#CC1C(/N=C/c2ccccc2)c2ccccc2CC21CCCCC2

STK833034
Synonyms: cyclohexyl3- (1,4- dioxo- 3,4- dihydrophthalazin- 2(1H)- yl)propanoate
Smiles: O=C(OC1CCCCC1)CCn1[nH]c(=O)c2c(c1=O)cccc2

STK525654
Synonyms: 2- ({3- [(5E)- 5- (3- {3- [(2- carboxyphenyl)amino]- 3- oxopropyl}- 2- oxo- 4- thioxo- 1,3- thiazolidin- 5- ylidene)- 2- oxo- 4- thioxo- 1,3- thiazolidin- 3- yl]propanoyl}amino)benzoicacid
Smiles: O=C(Nc1ccccc1C(=O)O)CCN1C(=O)S/C(=C\2/SC(=O)N(C2=S)CCC(=O)Nc2ccccc2C(=O)O)/C1=S

STK525657
Synonyms: (2,2- dimethyltetrahydro- 4H- thiopyran- 4- ylidene)propanedinitrile
Smiles: N#CC(=C1CCSC(C1)(C)C)C#N

STK525658
Synonyms: (2Z)- 2- cyano- 3- (dimethylamino)- N- [2- (morpholin- 4- yl)ethyl]but- 2- enamide
Smiles: CN(/C(=C(\C(=O)NCCN1CCOCC1)/C#N)/C)C

STK833038
Synonyms: 2- phenylpyridin- 3- ol
Smiles: Oc1cccnc1c1ccccc1

STK525664
Synonyms: 3- (diphenylmethoxy)- N,N- diethylbutan- 1- amine
Smiles: CCN(CCC(OC(c1ccccc1)c1ccccc1)C)CC

STK525668
Synonyms: 1- (ethylsulfanyl)- 4- (4- methylphenyl)- 7,8,9,10- tetrahydro- 6H- cyclohepta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CCCCC3

STK525674
Synonyms: 1- [(5- bromopyridin- 3- yl)carbonyl]proline
Smiles: OC(=O)C1CCCN1C(=O)c1cncc(c1)Br

STK525675
Synonyms: 2- methyl- 1,4- bis(3- phenyl- 4,5- dihydro- 1,2- oxazol- 5- yl)butane- 1,4- dione
Smiles: CC(C(=O)C1ON=C(C1)c1ccccc1)CC(=O)C1ON=C(C1)c1ccccc1

STK525678
Synonyms: 2- (1,2,5- trimethyl- 4- phenylpiperidin- 4- yl)ethanamine
Smiles: NCCC1(CC(C)N(CC1C)C)c1ccccc1

STK833044
Synonyms: 3,3- dimethyl- 8- phenyl- 6- (pyrrolidin- 1- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carboxamide
Smiles: NC(=O)c1c(nc(c2c1CC(C)(C)OC2)c1ccccc1)N1CCCC1

STK525683
Synonyms: 4- (3,4- dimethoxyphenyl)- 7,7- dimethyl- 5- oxo- 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccccc2)NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C

STK833045
Synonyms: ethyl2,5- dimethyl- 3- {2- [(4- methylphenyl)amino]- 2- oxoethyl}- 4- oxo- 3,4- dihydrothieno[3,4- d]pyrimidine- 7- carboxylate
Smiles: CCOC(=O)c1sc(c2c1nc(C)n(c2=O)CC(=O)Nc1ccc(cc1)C)C

STK833046
Synonyms: 2,5- dimethyl- 2,5- bis(prop- 2- yn- 1- yloxy)- 1,4- dioxane
Smiles: C#CCOC1(C)OCC(OC1)(C)OCC#C

STK525686
Synonyms: ethyl5- methyl- 3- {[N- (1,3- thiazol- 2- yl)glycyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CNc1nccs1)cc(cc2)C

STK833047
Synonyms: 6- amino- 3- methyl- 1- (4- methylphenyl)- 4- (pyridin- 4- yl)- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccncc1)c(C)nn2c1ccc(cc1)C

STK833050
Synonyms: (1E)- N- hydroxy- 6- nitro- 2,3,4,9- tetrahydro- 1H- carbazol- 1- imine
Smiles: O/N=C/1\CCCc2c1[nH]c1c2cc(cc1)[N+](=O)[O-]

STK525694
Synonyms: (2E)- N- [4- bromo- 2- (phenylcarbonyl)phenyl]- 2- cyano- 3- phenylprop- 2- enamide
Smiles: N#C/C(=C\c1ccccc1)/C(=O)Nc1ccc(cc1C(=O)c1ccccc1)Br

STK525696
Synonyms: 3- benzyl- 7- methyl- 2- (propylsulfanyl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C3)C

STK833055
Synonyms: ethyl6- {[3- hydroxy- 1- (methylamino)- 1- oxopropan- 2- yl]amino}- 6- oxohexanoate
Smiles: CCOC(=O)CCCCC(=O)NC(C(=O)NC)CO

STK833057
Synonyms: (2E)- 3- (2- methyl- 1H- indol- 3- yl)- 1- (pyridin- 4- yl)prop- 2- en- 1- one
Smiles: O=C(c1ccncc1)/C=C/c1c(C)[nH]c2c1cccc2

STK525699
Synonyms: 8- {[2- (2- hydroxyethoxy)ethyl]amino}- 7- {[3- (2- methoxyphenyl)- 4,5- dihydro- 1,2- oxazol- 5- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCOCCNc1nc2c(n1CC1ON=C(C1)c1ccccc1OC)c(=O)n(c(=O)n2C)C

STK525702
Synonyms: 8- ethyl- 3,3- dimethyl- 6- (2- oxo- 2- phenylethoxy)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(OCC(=O)c2ccccc2)nc(c2c1CC(C)(C)OC2)CC

STK833061
Synonyms: 2,5- dimethyl- 4- oxo- 3- {2- oxo- 2- [(pyridin- 3- ylmethyl)amino]ethyl}- N- (pyridin- 3- ylmethyl)- 3,4- dihydrothieno[3,4- d]pyrimidine- 7- carboxamide
Smiles: O=C(Cn1c(C)nc2c(c1=O)c(C)sc2C(=O)NCc1cccnc1)NCc1cccnc1

STK525703
Synonyms: 2- {[bis(2- hydroxyethyl)amino]methyl}- 4,6- di- tert- butylphenol
Smiles: OCCN(Cc1cc(cc(c1O)C(C)(C)C)C(C)(C)C)CCO

STK833063
Synonyms: (5- bromopyridin- 3- yl)(phenyl)methanone
Smiles: Brc1cncc(c1)C(=O)c1ccccc1

STK525709
Synonyms: N- {(E)- [5- (4- bromophenyl)furan- 2- yl]methylidene}- 2- (1H- indol- 3- yl)ethanamine
Smiles: Brc1ccc(cc1)c1ccc(o1)/C=N/CCc1c[nH]c2c1cccc2

STK525710
Synonyms: 8- butyl- 6- [4- (furan- 2- ylcarbonyl)piperazin- 1- yl]- 3,3- dimethyl- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCCc1nc(N2CCN(CC2)C(=O)c2ccco2)c(c2c1CSC(C2)(C)C)C#N

STK525711
Synonyms: 2- [1- (2- ethoxy- 1,1,2,3,3,3- hexafluoropropoxy)- 1,3,3,3- tetrafluoropropyl]- 4,5- dihydro- 1H- imidazole
Smiles: CCOC(C(OC(C1=NCCN1)(CC(F)(F)F)F)(F)F)(C(F)(F)F)F

STK833065
Synonyms: (3Z)- 3- {[(4- hydroxyphenyl)amino]methylidene}pyrrolidine- 2,4- dione
Smiles: Oc1ccc(cc1)N/C=C\1/C(=O)CNC1=O

STK525715
Synonyms: dipropan- 2- yl[5- (bromomethyl)- 1,2- oxazol- 3- yl]phosphonate
Smiles: BrCc1onc(c1)P(=O)(OC(C)C)OC(C)C

STK525716
Synonyms: ethyl5,5- dimethyl- 2- [(propylcarbamothioyl)amino]- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxylate
Smiles: CCCNC(=S)Nc1sc2c(c1C(=O)OCC)CC(OC2)(C)C

STK525722
Synonyms: N- (1,3- benzothiazol- 2- yl)- 2- {[3- cyano- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)Nc2nc3c(s2)cccc3)nc2c(c1c1cccs1)CCCC2

STK525723
Synonyms: 1- (4- hydroxyphenyl)- 2- phenylbutan- 1- one
Smiles: CCC(C(=O)c1ccc(cc1)O)c1ccccc1

STK525724
Synonyms: (8R,8aR)- 6- amino- 8- (2,3- difluorophenyl)- 2- propyl- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: CCCN1CC=C2[C@H](C1)[C@@H](c1cccc(c1F)F)C(C(=C2C#N)N)(C#N)C#N

STK525725
Synonyms: (2E)- 3- [4- (difluoromethoxy)- 3- methoxyphenyl]- 1- (5- methylfuran- 2- yl)prop- 2- en- 1- one
Smiles: COc1cc(/C=C/C(=O)c2ccc(o2)C)ccc1OC(F)F

STK525726
Synonyms: 2- hexyl- 5- (phenylamino)phenol
Smiles: CCCCCCc1ccc(cc1O)Nc1ccccc1

STK833071
Synonyms: 3,3'- (2- oxo- 1H- benzimidazole- 1,3(2H)- diyl)dipropanenitrile
Smiles: N#CCCn1c2ccccc2n(c1=O)CCC#N

STK525731
Synonyms: methyl3- methyl- 5,5'- bi- 1,2- oxazole- 4- carboxylate
Smiles: COC(=O)c1c(C)noc1c1ccno1

STK525732
Synonyms: 6- chloro- 5- (4- methoxybenzyl)- N,N- dimethyl- 2- (methylsulfanyl)pyrimidin- 4- amine
Smiles: COc1ccc(cc1)Cc1c(Cl)nc(nc1N(C)C)SC

STK525733
Synonyms: 3,3- dimethyl- 8- phenyl- 6- (piperidin- 1- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)OC2)c1ccccc1)N1CCCCC1

STK525734
Synonyms: 2'- [(4- methoxybenzyl)sulfanyl]- 6'- methyl- 3,4'- bipyridine- 3'- carbonitrile
Smiles: N#Cc1c(SCc2ccc(cc2)OC)nc(cc1c1cccnc1)C

STK525735
Synonyms: 6- amino- 4- (4- hydroxy- 3- methoxy- 5- nitrophenyl)- 3- methyl- 1- phenyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cc(OC)c(c(c1)[N+](=O)[O-])O)c(C)nn2c1ccccc1

STK525736
Synonyms: 4- benzyl- 1- (benzylsulfanyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: O=c1n(Cc2ccccc2)c2nnc(n2c2c1C1(CCCCC1)Cc1c2cccc1)SCc1ccccc1

STK833072
Synonyms: 5- (4- bromophenyl)- 3- (trifluoromethyl)- 1H- pyrazole
Smiles: Brc1ccc(cc1)c1[nH]nc(c1)C(F)(F)F

STK525741
Synonyms: N- {2- [(1- bromonaphthalen- 2- yl)oxy]- 5- chlorophenyl}- 3,5- dichloro- 2- hydroxybenzamide
Smiles: Clc1ccc(c(c1)NC(=O)c1cc(Cl)cc(c1O)Cl)Oc1ccc2c(c1Br)cccc2

STK525743
Synonyms: 2- {[4- (dimethylamino)- 6- methylpyrimidin- 2- yl]sulfanyl}- N'- (propan- 2- ylidene)acetohydrazide
Smiles: O=C(CSc1nc(C)cc(n1)N(C)C)NN=C(C)C

STK525747
Synonyms: N'- [(1E)- 2- [(5- ethyl- 4- hydroxy- 6- methylpyrimidin- 2- yl)sulfanyl]- 1- (3- nitrophenyl)ethylidene]acetohydrazide
Smiles: CCc1c(C)nc(nc1O)SC/C(=N/NC(=O)C)/c1cccc(c1)[N+](=O)[O-]

STK833075
Synonyms: 3- amino- 6- methyl- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b][1,6]naphthyridine- 2- carboxamide
Smiles: CN1CCc2c(C1)c(c1cccs1)c1c(n2)sc(c1N)C(=O)N

STK525749
Synonyms: (5Z)- 5- benzylidene- 3- (4- methylphenyl)- 2- phenyl- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: Cc1ccc(cc1)N1C(=O)/C(=C/c2ccccc2)/N=C1c1ccccc1

STK525752
Synonyms: 2- benzyl- 1H- benzimidazol- 5- ol
Smiles: Oc1ccc2c(c1)nc([nH]2)Cc1ccccc1

STK525753
Synonyms: 3- [(2- cyanoethyl)sulfanyl]- 6,6,7- trimethyl- 1- (morpholin- 4- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: N#CCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(N(C2)C)(C)C

STK833078
Synonyms: 2- [(Z)- {[(2Z)- 2- (hydroxyimino)- 2- (thiophen- 2- yl)ethyl](oxido)- lambda~5~- azanylidene}methyl]- 4,5- dimethyl- 1H- imidazol- 1- ol
Smiles: O/N=C(\c1cccs1)/C/[N+](=C/c1nc(c(n1O)C)C)/[O-]

STK525755
Synonyms: 4- ({6- [(5E)- 5- (3- {6- [(4- carboxyphenyl)amino]- 6- oxohexyl}- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]hexanoyl}amino)benzoicacid
Smiles: O=C(Nc1ccc(cc1)C(=O)O)CCCCCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCCCCC(=O)Nc2ccc(cc2)C(=O)O)/C1=O

STK525758
Synonyms: 1,1'- butane- 1,4- diyldicyclopropanol
Smiles: OC1(CCCCC2(O)CC2)CC1

STK833080
Synonyms: 6- amino- 3- propyl- 4- [2- (trifluoromethyl)phenyl]- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: CCCc1n[nH]c2c1C(C(=C(O2)N)C#N)c1ccccc1C(F)(F)F

STK833081
Synonyms: ethyl2- amino- 1- cyano- 5,6,7,8- tetrahydroindolizine- 3- carboxylate
Smiles: CCOC(=O)c1c(N)c(c2n1CCCC2)C#N

STK833083
Synonyms: N'- [(1E)- 6- chloro- 2,3,4,9- tetrahydro- 1H- carbazol- 1- ylidene]- 4- methylbenzenesulfonohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)N/N=C/1\CCCc2c1[nH]c1c2cc(cc1)Cl

STK512146
Synonyms: 1- cyclohexyl- N- methylmethanamine
Smiles: CNCC1CCCCC1

STK512550
Synonyms: 5- (1,2- dibromoethyl)- 1- methyl- 1H- tetrazole
Smiles: BrCC(c1nnnn1C)Br

STK723863
Synonyms: 6- chlorotetrazolo[1,5- a]quinazoline
Smiles: Clc1cccc2c1cnc1n2nnn1

STK512651
Synonyms: N- {[5- (4- fluorophenyl)furan- 2- yl]methyl}- 5- methyl- 4H- 1,2,4- triazol- 3- amine
Smiles: Fc1ccc(cc1)c1ccc(o1)CNc1nnc([nH]1)C

STK512653
Synonyms: N- (4- bromobenzyl)- 5- methyl- 4H- 1,2,4- triazol- 3- amine
Smiles: Brc1ccc(cc1)CNc1nnc([nH]1)C

STK512654
Synonyms: N- (2- chloro- 6- fluorobenzyl)- 5- methyl- 4H- 1,2,4- triazol- 3- amine
Smiles: Cc1nnc([nH]1)NCc1c(F)cccc1Cl

STK512655
Synonyms: N- (2,4- dichlorobenzyl)- 5- methyl- 4H- 1,2,4- triazol- 3- amine
Smiles: Clc1ccc(c(c1)Cl)CNc1nnc([nH]1)C

STK723864
Synonyms: 5- (ethylsulfonyl)- 1- methyl- 1H- tetrazole
Smiles: CCS(=O)(=O)c1nnnn1C

STK512765
Synonyms: N- (4- chlorobenzyl)- 2- methyl- 2H- tetrazol- 5- amine
Smiles: Clc1ccc(cc1)CNc1nnn(n1)C

STK512766
Synonyms: N- (4- bromobenzyl)- 2- methyl- 2H- tetrazol- 5- amine
Smiles: Brc1ccc(cc1)CNc1nnn(n1)C

STK512767
Synonyms: N- [4- (benzyloxy)benzyl]- 2- methyl- 2H- tetrazol- 5- amine
Smiles: Cn1nnc(n1)NCc1ccc(cc1)OCc1ccccc1

STK512769
Synonyms: 1,3- dimethyl- 5- {[(2- methyl- 2H- tetrazol- 5- yl)amino]methyl}- 1,3- dihydro- 2H- benzimidazol- 2- one
Smiles: Cn1nnc(n1)NCc1ccc2c(c1)n(C)c(=O)n2C

STK512771
Synonyms: N- {[5- (4- chlorophenyl)furan- 2- yl]methyl}- 2- methyl- 2H- tetrazol- 5- amine
Smiles: Clc1ccc(cc1)c1ccc(o1)CNc1nnn(n1)C

STK512774
Synonyms: N- (4- chlorobenzyl)- 2- ethyl- 2H- tetrazol- 5- amine
Smiles: CCn1nnc(n1)NCc1ccc(cc1)Cl

STK512775
Synonyms: N- (4- bromobenzyl)- 2- ethyl- 2H- tetrazol- 5- amine
Smiles: CCn1nnc(n1)NCc1ccc(cc1)Br

STK512817
Synonyms: N- tert- butyl- 2- methylpropan- 1- amine
Smiles: CC(CNC(C)(C)C)C

STK512819
Synonyms: 1,3- dimethyl- 5- {[(4- methylphenyl)amino]methyl}- 1,3- dihydro- 2H- benzimidazol- 2- one
Smiles: Cc1ccc(cc1)NCc1ccc2c(c1)n(C)c(=O)n2C

STK512823
Synonyms: 5- {[(4- fluorophenyl)amino]methyl}- 1,3- dimethyl- 1,3- dihydro- 2H- benzimidazol- 2- one
Smiles: Fc1ccc(cc1)NCc1ccc2c(c1)n(C)c(=O)n2C

STK512835
Synonyms: 2- ethyl- N- (4- methoxybenzyl)- 2H- tetrazol- 5- amine
Smiles: COc1ccc(cc1)CNc1nnn(n1)CC

STK512847
Synonyms: 2- ethyl- N- [4- (methylsulfanyl)benzyl]- 2H- tetrazol- 5- amine
Smiles: CSc1ccc(cc1)CNc1nnn(n1)CC

STK512936
Synonyms: 5- (1,2- dibromoethyl)- 2- methyl- 2H- tetrazole
Smiles: BrCC(c1nnn(n1)C)Br

STK512944
Synonyms: N- benzyl- 2- ethyl- 2H- tetrazol- 5- amine
Smiles: CCn1nnc(n1)NCc1ccccc1

STK512945
Synonyms: 2- ethyl- N- (4- fluorobenzyl)- 2H- tetrazol- 5- amine
Smiles: CCn1nnc(n1)NCc1ccc(cc1)F

STK512949
Synonyms: N- (2,6- dichlorobenzyl)- 2- ethyl- 2H- tetrazol- 5- amine
Smiles: CCn1nnc(n1)NCc1c(Cl)cccc1Cl

STK512967
Synonyms: N- (3,5- dichloro- 4- methoxybenzyl)cyclopropanamine
Smiles: COc1c(Cl)cc(cc1Cl)CNC1CC1

STK832181
Synonyms: N,N- dimethyl- N'- phenylethane- 1,2- diamine
Smiles: CN(CCNc1ccccc1)C

STK512974
Synonyms: 3- methyl- N- [(5- methylfuran- 2- yl)methyl]- 1H- 1,2,4- triazol- 5- amine
Smiles: Cc1ccc(o1)CNc1[nH]nc(n1)C

STK512975
Synonyms: 3- methyl- N- (thiophen- 2- ylmethyl)- 1H- 1,2,4- triazol- 5- amine
Smiles: Cc1n[nH]c(n1)NCc1cccs1

STK832199
Synonyms: (7E)- 7- benzylidene- 3- methyl- 6,7- dihydro- 5H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Cc1nnc2n1NC/C(=C\c1ccccc1)/S2

STL115367
Synonyms: [(4- chlorobenzyl)amino]acetonitrile
Smiles: N#CCNCc1ccc(cc1)Cl

STL115373
Synonyms: N- (3,4- dichlorobenzyl)- 3- methyl- 1H- 1,2,4- triazol- 5- amine
Smiles: Cc1n[nH]c(n1)NCc1ccc(c(c1)Cl)Cl

STL115374
Synonyms: N- (3- bromobenzyl)- 3- methyl- 1H- 1,2,4- triazol- 5- amine
Smiles: Brc1cccc(c1)CNc1[nH]nc(n1)C

STL115411
Synonyms: N- (3- chlorobenzyl)- 3- methyl- 1H- 1,2,4- triazol- 5- amine
Smiles: Clc1cccc(c1)CNc1[nH]nc(n1)C

STL115428
Synonyms: 3- methyl- N- (4- methylbenzyl)- 1H- 1,2,4- triazol- 5- amine
Smiles: Cc1ccc(cc1)CNc1[nH]nc(n1)C

STL115429
Synonyms: N- (2- fluorobenzyl)- 3- methyl- 1H- 1,2,4- triazol- 5- amine
Smiles: Cc1n[nH]c(n1)NCc1ccccc1F

STL115443
Synonyms: N- (4- methoxybenzyl)- 3- methyl- 1H- 1,2,4- triazol- 5- amine
Smiles: COc1ccc(cc1)CNc1[nH]nc(n1)C

STL115455
Synonyms: 3- methyl- N- [(1- methyl- 1H- pyrrol- 2- yl)methyl]- 1H- 1,2,4- triazol- 5- amine
Smiles: Cc1n[nH]c(n1)NCc1cccn1C

STL115456
Synonyms: N- (2- chlorobenzyl)- 3- methyl- 1H- 1,2,4- triazol- 5- amine
Smiles: Cc1n[nH]c(n1)NCc1ccccc1Cl

STL115474
Synonyms: 3- methyl- N- (thiophen- 3- ylmethyl)- 1H- 1,2,4- triazol- 5- amine
Smiles: Cc1n[nH]c(n1)NCc1cscc1

STL115475
Synonyms: 3- methyl- N- (3- methylbenzyl)- 1H- 1,2,4- triazol- 5- amine
Smiles: Cc1cccc(c1)CNc1[nH]nc(n1)C

STL115476
Synonyms: 3- methyl- N- (2- methylbenzyl)- 1H- 1,2,4- triazol- 5- amine
Smiles: Cc1n[nH]c(n1)NCc1ccccc1C

STL115485
Synonyms: N- (2,3- dichlorobenzyl)- 3- methyl- 1H- 1,2,4- triazol- 5- amine
Smiles: Cc1n[nH]c(n1)NCc1cccc(c1Cl)Cl

STL231940
Synonyms: 5,7- dimethyl- 2- oxo- 1,2- dihydroquinoline- 3- carbaldehyde
Smiles: O=Cc1cc2c(C)cc(cc2[nH]c1=O)C

STL231942
Synonyms: 3- (furan- 2- yl)- N- (4- methoxybenzyl)- 1H- pyrazol- 5- amine
Smiles: COc1ccc(cc1)CNc1[nH]nc(c1)c1ccco1

STL286893
Synonyms: N- (3- methylphenyl)- 1,2- benzothiazol- 3- amine1,1- dioxide
Smiles: Cc1cccc(c1)NC1=NS(=O)(=O)c2c1cccc2

STK386982
Synonyms: N,N- diethyl- 1,2- benzothiazol- 3- amine1,1- dioxide
Smiles: CCN(C1=NS(=O)(=O)c2c1cccc2)CC

STL286905
Synonyms: N- cyclopentyl- 1,2- benzothiazol- 3- amine1,1- dioxide
Smiles: O=S1(=O)N=C(c2c1cccc2)NC1CCCC1

STK137506
Synonyms: 3- (4- ethylpiperazin- 1- yl)- 1,2- benzothiazole1,1- dioxide
Smiles: CCN1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2

STK133723
Synonyms: N- cyclopropyl- 1,2- benzothiazol- 3- amine1,1- dioxide
Smiles: O=S1(=O)N=C(c2c1cccc2)NC1CC1

STK137333
Synonyms: N- ethyl- N- phenyl- 1,2- benzothiazol- 3- amine1,1- dioxide
Smiles: CCN(C1=NS(=O)(=O)c2c1cccc2)c1ccccc1

STK133164
Synonyms: 3- (azepan- 1- yl)- 1,2- benzothiazole1,1- dioxide
Smiles: O=S1(=O)N=C(c2c1cccc2)N1CCCCCC1

STK136752
Synonyms: 3- [(2E)- 2- (thiophen- 2- ylmethylidene)hydrazinyl]- 1,2- benzothiazole1,1- dioxide
Smiles: O=S1(=O)N=C(c2c1cccc2)N/N=C/c1cccs1

STL286988
Synonyms: N- (4- fluorophenyl)- 1,2- benzothiazol- 3- amine1,1- dioxide
Smiles: Fc1ccc(cc1)NC1=NS(=O)(=O)c2c1cccc2

STL287002
Synonyms: N- (3- fluorophenyl)- 1,2- benzothiazol- 3- amine1,1- dioxide
Smiles: Fc1cccc(c1)NC1=NS(=O)(=O)c2c1cccc2

STK239305
Synonyms: 2- (2- oxo- 1,3- benzothiazol- 3(2H)- yl)- N- (1,3- thiazol- 2- yl)acetamide
Smiles: O=C(Cn1c(=O)sc2c1cccc2)Nc1nccs1

STL287008
Synonyms: N- (1,3- thiazol- 2- yl)- 1,2- benzothiazol- 3- amine1,1- dioxide
Smiles: O=S1(=O)N=C(c2c1cccc2)Nc1nccs1

STK136273
Synonyms: 2- (4- oxoquinazolin- 3(4H)- yl)- N- (1,3,4- thiadiazol- 2- yl)acetamide
Smiles: O=C(Cn1cnc2c(c1=O)cccc2)Nc1nncs1

STK801713
Synonyms: 4- [(4- methoxybenzyl)amino]phenol
Smiles: COc1ccc(cc1)CNc1ccc(cc1)O

STK524285
Synonyms: 2- [(4- methoxybenzyl)amino]phenol
Smiles: COc1ccc(cc1)CNc1ccccc1O

STK801715
Synonyms: (2- amino- 5- ethylthiophen- 3- yl)(morpholin- 4- yl)methanone
Smiles: CCc1cc(c(s1)N)C(=O)N1CCOCC1

STK801722
Synonyms: 3- (6- bromo- 2- oxo- 1,3- benzothiazol- 3(2H)- yl)propanenitrile
Smiles: N#CCCn1c(=O)sc2c1ccc(c2)Br

STL287048
Synonyms: (3Z)- 3- hydrazinylidene- 2- methyl- 2,3- dihydro- 1,2- benzothiazole1,1- dioxide
Smiles: N/N=C\1/c2ccccc2S(=O)(=O)N1C

STL287186
Synonyms: 3- [1- methyl- 2- (propan- 2- ylidene)hydrazinyl]- 1,2- benzothiazole1,1- dioxide
Smiles: CC(=NN(C1=NS(=O)(=O)c2c1cccc2)C)C

STL287192
Synonyms: 3- (1H- imidazol- 1- yl)- 1,2- benzothiazole1,1- dioxide
Smiles: O=S1(=O)N=C(c2c1cccc2)n1cncc1

STL287224
Synonyms: 1- (1,1- dioxido- 1,2- benzothiazol- 3- yl)- 1,2,3,4- tetrahydroquinoline
Smiles: O=S1(=O)N=C(c2c1cccc2)N1CCCc2c1cccc2

STL287304
Synonyms: N- (2,6- difluorophenyl)- 1,2- benzothiazol- 3- amine1,1- dioxide
Smiles: Fc1cccc(c1NC1=NS(=O)(=O)c2c1cccc2)F

STL287313
Synonyms: 2- (4- oxoquinazolin- 3(4H)- yl)- N- (1H- tetrazol- 5- yl)acetamide
Smiles: O=C(Cn1cnc2c(c1=O)cccc2)Nc1nnn[nH]1

STL287723
Synonyms: 2- methyl- 4- [2- (4- methylpiperidin- 1- yl)- 2- oxoethyl]phthalazin- 1(2H)- one
Smiles: CC1CCN(CC1)C(=O)Cc1nn(C)c(=O)c2c1cccc2

STK832242
Synonyms: 1- (morpholin- 4- ylmethyl)- 1H- benzimidazole
Smiles: O1CCN(CC1)Cn1cnc2c1cccc2

STK927063
Synonyms: N- (9- methyl- 9H- carbazol- 3- yl)acetamide
Smiles: CC(=O)Nc1ccc2c(c1)c1ccccc1n2C

STK118683
Synonyms: 3- (benzylsulfanyl)- 5- methyl- 4H- 1,2,4- triazole
Smiles: Cc1nnc([nH]1)SCc1ccccc1

STK123539
Synonyms: 4- (4- fluorophenyl)- 1,3- thiazol- 2- amine
Smiles: Fc1ccc(cc1)c1csc(n1)N

STK889365
Synonyms: 4- (4- methoxy- 3- methylphenyl)- 1,3- thiazol- 2- amine
Smiles: COc1ccc(cc1C)c1csc(n1)N

STK927344
Synonyms: 2- [(4,6- dimethylpyrimidin- 2- yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1nc(C)cc(n1)C

STK927378
Synonyms: N- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]pyridin- 2- amine
Smiles: [O-][N+](=O)c1cccc(c1)c1csc(n1)Nc1ccccn1

STK140484
Synonyms: N- methyl- N- phenyl- 4- (pyridin- 2- yl)piperazine- 1- carboxamide
Smiles: O=C(N(c1ccccc1)C)N1CCN(CC1)c1ccccn1

STK927659
Synonyms: 1- [1- (4- fluorophenyl)- 3,5- dimethyl- 1H- pyrazol- 4- yl]methanamine
Smiles: NCc1c(C)nn(c1C)c1ccc(cc1)F

STK927691
Synonyms: 4- (9- methyl- 9H- carbazol- 2- yl)- 4H- pyrazol- 3- ol
Smiles: OC1=NN=CC1c1ccc2c(c1)n(C)c1c2cccc1

STK927697
Synonyms: N- (9- methyl- 9H- carbazol- 2- yl)acetamide
Smiles: CC(=O)Nc1ccc2c(c1)n(C)c1c2cccc1

STK927703
Synonyms: 3- (6- methyl- 1- oxo- 1,2,3,4- tetrahydro- 9H- carbazol- 9- yl)propanenitrile
Smiles: N#CCCn1c2ccc(cc2c2c1C(=O)CCC2)C

STK927773
Synonyms: 4- (4- methoxyphenyl)- 2,5- dihydro- 1H- 2,3- benzodiazepin- 1- one
Smiles: COc1ccc(cc1)C1=NNC(=O)c2c(C1)cccc2

STK927774
Synonyms: 4- (4- methoxyphenyl)- 2,5- dihydro- 1H- 2,3- benzodiazepine- 1- thione
Smiles: COc1ccc(cc1)C1=NNC(=S)c2c(C1)cccc2

STK927775
Synonyms: 4- (4- methoxyphenyl)- 1- (methylsulfanyl)- 5H- 2,3- benzodiazepine
Smiles: CSC1=NN=C(Cc2c1cccc2)c1ccc(cc1)OC

STK927801
Synonyms: 3- methyl- 1H- indole- 5- carboxylicacid
Smiles: Cc1c[nH]c2c1cc(cc2)C(=O)O

STK927837
Synonyms: 2- amino- 3- methylisoquinolin- 1(2H)- one
Smiles: Nn1c(C)cc2c(c1=O)cccc2

STK927838
Synonyms: 4- ethenyl- 3,5- dimethyl- 1H- pyrazole
Smiles: C=Cc1c(C)n[nH]c1C

STK927864
Synonyms: N- (3,5- dimethyl- 1- propanoyl- 1H- pyrazol- 4- yl)propanamide
Smiles: CCC(=O)Nc1c(C)nn(c1C)C(=O)CC

STK927929
Synonyms: N- (3,5- dimethyl- 1H- pyrazol- 4- yl)butanamide
Smiles: CCCC(=O)Nc1c(C)n[nH]c1C

STK927936
Synonyms: 2- ethyl- 3,5- dimethyl- 1- phenyl- 1H- pyrazol- 2- ium
Smiles: CC[n+]1c(C)cc(n1c1ccccc1)C

STL137765
Synonyms: isochromeno[3,4- c]pyrazol- 5(2H)- one
Smiles: O=c1oc2n[nH]cc2c2c1cccc2

STK832317
Synonyms: (1- methylpyridin- 2(1H)- ylidene)propanedinitrile
Smiles: N#CC(=c1ccccn1C)C#N

STK832318
Synonyms: (2E)- (1- methylpyridin- 2(1H)- ylidene)(4- phenyl- 1,3- thiazol- 2- yl)ethanenitrile
Smiles: N#C/C(=c\1/ccccn1C)/c1scc(n1)c1ccccc1

STK832322
Synonyms: (2E)- 1H- benzimidazol- 2- yl(1- methylpyridin- 2(1H)- ylidene)ethanenitrile
Smiles: N#C/C(=c\1/ccccn1C)/c1nc2c([nH]1)cccc2

STK832376
Synonyms: S- methylpyridine- 2- carbothioate
Smiles: CSC(=O)c1ccccn1

STK832378
Synonyms: 1- phenyl- 2- (2- thioxopyridin- 1(2H)- yl)ethanone
Smiles: O=C(c1ccccc1)Cn1ccccc1=S

STL137768
Synonyms: N- (4- fluorophenyl)- 2- (morpholin- 4- yl)acetamide
Smiles: O=C(Nc1ccc(cc1)F)CN1CCOCC1

STK257509
Synonyms: N- benzylpiperidine- 1- carboxamide
Smiles: O=C(N1CCCCC1)NCc1ccccc1

STK927969
Synonyms: 2- [2- (1H- 1,2,4- triazol- 1- yl)ethyl]- 1H- benzimidazole
Smiles: c1ncn(n1)CCc1nc2c([nH]1)cccc2

STK387028
Synonyms: N- {2- [(2- cyclohexylidenehydrazinyl)carbonyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccccc1C(=O)NN=C1CCCCC1

STK280514
Synonyms: 3- amino- 2- methylquinazolin- 4(3H)- one
Smiles: Nn1c(C)nc2c(c1=O)cccc2

STK524542
Synonyms: 1- ethylpiperazine- 2,3- dione
Smiles: CCN1CCNC(=O)C1=O

STK525761
Synonyms: 5- benzyl- 2- (morpholin- 4- ylmethyl)pyridin- 3- ol
Smiles: Oc1cc(cnc1CN1CCOCC1)Cc1ccccc1

STK525762
Synonyms: 2- (tert- butylsulfonyl)benzene- 1,3- dicarboxylicacid
Smiles: OC(=O)c1cccc(c1S(=O)(=O)C(C)(C)C)C(=O)O

STK833084
Synonyms: 1- (3,5- di- tert- butyl- 4- hydroxyphenyl)ethanone
Smiles: CC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK525764
Synonyms: 2- [(2E)- 2- {1- [4- (pentyloxy)phenyl]ethylidene}hydrazinyl]- 4,5- dihydro- 1H- imidazole
Smiles: CCCCCOc1ccc(cc1)/C(=N/NC1=NCCN1)/C

STK525765
Synonyms: 1- (morpholin- 4- yl)- 3- (propylsulfanyl)- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: CCCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2

STK525768
Synonyms: 2- (5- methoxy- 1H- indol- 3- yl)- 5,7- dimethyl- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: COc1ccc2c(c1)c(c[nH]2)C1N2CC3(CN1CC(C2)(C3=O)C)C

STK525773
Synonyms: diethyl5,5'- oxybis(1H- indole- 2- carboxylate)
Smiles: CCOC(=O)c1[nH]c2c(c1)cc(cc2)Oc1ccc2c(c1)cc([nH]2)C(=O)OCC

STK833088
Synonyms: N- cyclohexyl- 2- phenylcyclopropanecarboxamide
Smiles: O=C(C1CC1c1ccccc1)NC1CCCCC1

STK833091
Synonyms: 1,7- dibenzyl- 8- (benzylamino)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(n2Cc1ccccc1)NCc1ccccc1

STK833093
Synonyms: diethyl{[5- (dimethylsulfamoyl)- 1- methyl- 1H- indol- 3- yl]methylidene}propanedioate
Smiles: CCOC(=O)C(=Cc1cn(c2c1cc(cc2)S(=O)(=O)N(C)C)C)C(=O)OCC

STK525781
Synonyms: 1- (2,2- dibromo- 1- methylcyclopropyl)- 4- methoxybenzene
Smiles: COc1ccc(cc1)C1(C)CC1(Br)Br

STK833094
Synonyms: 2- (benzylsulfanyl)- 3- (prop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: C=CCn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK525783
Synonyms: N- (tert- butoxycarbonyl)leucine
Smiles: CC(CC(C(=O)O)NC(=O)OC(C)(C)C)C

STK833096
Synonyms: N- (5- acetyl- 10,11- dihydro- 5H- dibenzo[b,f]azepin- 3- yl)acetamide
Smiles: CC(=O)Nc1ccc2c(c1)N(C(=O)C)c1ccccc1CC2

STK833098
Synonyms: benzyl[(3- cyano- 6,7,8,9- tetrahydro- 5H- cyclohepta[b]pyridin- 2- yl)sulfanyl]acetate
Smiles: N#Cc1cc2CCCCCc2nc1SCC(=O)OCc1ccccc1

STK525787
Synonyms: N- [(2E,4E)- 1- oxo- 5- phenyl- 1- (2- phenylhydrazinyl)penta- 2,4- dien- 2- yl]benzamide
Smiles: O=C(/C(=C\C=C\c1ccccc1)/NC(=O)c1ccccc1)NNc1ccccc1

STK525789
Synonyms: 4- (1- aminoethyl)- 2,6- di- tert- butylphenol
Smiles: CC(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)N

STK525791
Synonyms: 4- (aminomethyl)- 2- methylphthalazin- 1(2H)- one
Smiles: NCc1nn(C)c(=O)c2c1cccc2

STK833101
Synonyms: 3- amino- 4- (phenylamino)thieno[2,3- b]pyridine- 2- carbonitrile
Smiles: N#Cc1sc2c(c1N)c(ccn2)Nc1ccccc1

STK833102
Synonyms: 2- [5- acetyl- 2- (2- methylpropoxy)benzyl]propanediamide
Smiles: CC(COc1ccc(cc1CC(C(=O)N)C(=O)N)C(=O)C)C

STK833103
Synonyms: 7- methyl- 3- (morpholin- 4- yl)- 1- (pyrrolidin- 1- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: N#Cc1c(nc(c2c1CCN(C2)C)N1CCCC1)N1CCOCC1

STK525793
Synonyms: 7- (4- methoxyphenyl)- 5- methyl- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- amine
Smiles: COc1ccc(cc1)C1C=C(C)Nc2n1nc(n2)N

STK525799
Synonyms: (1Z)- 1- (4- bromophenyl)- N- [(2,6- dimethylpyrimidin- 4- yl)oxy]ethanimine
Smiles: Brc1ccc(cc1)/C(=N\Oc1cc(C)nc(n1)C)/C

STK525803
Synonyms: N- hydroxypyridine- 2- carboximidamide
Smiles: ONC(=N)c1ccccn1

STK833109
Synonyms: 6- amino- 4- {4- methoxy- 3- [(4- nitro- 1H- pyrazol- 1- yl)methyl]phenyl}- 3- phenyl- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Cn1ncc(c1)[N+](=O)[O-])OC)c([nH]n2)c1ccccc1

STK525807
Synonyms: 4- chloropyridine- 2- carboxamide
Smiles: NC(=O)c1cc(Cl)ccn1

STK833112
Synonyms: 4,5,5- trimethyl- 2- [2- (trifluoromethyl)phenyl]- 2,5- dihydro- 1H- imidazol- 1- ol3- oxide
Smiles: [O-][N+]1=C(C)C(N(C1c1ccccc1C(F)(F)F)O)(C)C

STK525815
Synonyms: 1- (benzylamino)- 7- ethyl- 3- (piperidin- 1- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: CCN1CCc2c(C1)c(NCc1ccccc1)nc(c2C#N)N1CCCCC1

STK525817
Synonyms: ethyl3- [(N- methylglycyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CNC)cccc2

STK525818
Synonyms: 3,4,4- trimethyl- 1- (naphthalen- 1- yl)- 5- (1H- 1,2,4- triazol- 1- yl)imidazolidin- 2- one
Smiles: O=C1N(c2cccc3c2cccc3)C(C(N1C)(C)C)n1cncn1

STK525819
Synonyms: 7- ethyl- 3- (morpholin- 4- yl)- 1- (piperidin- 1- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: CCN1CCc2c(C1)c(nc(c2C#N)N1CCOCC1)N1CCCCC1

STK525820
Synonyms: 2- amino- 4- (2- chlorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(N)NC2=C(C1c1ccccc1Cl)C(=O)CCC2

STK525821
Synonyms: 2- [(5Z)- 5- (3- bromobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- phenylpropanoicacid
Smiles: Brc1cccc(c1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)Cc1ccccc1

STK833118
Synonyms: 5- butyl- N- hexyl- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CCCCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CCCC

STK525823
Synonyms: 3- (3- methyl- 1H- indol- 1- yl)propanoicacid
Smiles: OC(=O)CCn1cc(c2c1cccc2)C

STK833119
Synonyms: 5- hydroxy- 7- methyl- 3- (2- methyl- 1,3- thiazol- 4- yl)- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: Cc1scc(n1)c1c(=O)c2c(O)cc(cc2oc1C(F)(F)F)C

STK525827
Synonyms: 6- (cyclohexylamino)- 3,3- dimethyl- 8- propyl- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCc1nc(NC2CCCCC2)c(c2c1COC(C2)(C)C)C#N

STK833121
Synonyms: 2- hydroxy- N- (pyridin- 4- yl)benzamide
Smiles: O=C(c1ccccc1O)Nc1ccncc1

STK525833
Synonyms: 2- [benzyl(dipropyl)ammonio]ethanolate
Smiles: [O-]CC[N+](Cc1ccccc1)(CCC)CCC

STK525836
Synonyms: 11,11- dimethyl- 11,12- dihydro- 9H- pyrano[4',3':4,5]thieno[2,3- e]bistetrazolo[1,5- a:1',5'- c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)c2nnnn2c2n1nnn2

STK833131
Synonyms: 3- (5- chloro- 1,3- benzoxazol- 2- yl)- 7- (diethylamino)- 2H- chromen- 2- one
Smiles: CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(o1)ccc(c2)Cl)CC

STK833132
Synonyms: {[4- (dimethylamino)- 6- (morpholin- 4- yl)- 1,3,5- triazin- 2- yl]oxy}acetonitrile
Smiles: N#CCOc1nc(nc(n1)N1CCOCC1)N(C)C

STK833133
Synonyms: 2- (benzylsulfanyl)- 6,7- dihydro- 5H- pyrrolo[1,2- a]imidazole
Smiles: c1ccc(cc1)CSc1cn2c(n1)CCC2

STK525842
Synonyms: 3- [(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]propanoicacid
Smiles: OC(=O)CCSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C

STK833135
Synonyms: 2- (ethylsulfanyl)- 3- (2- phenylethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK525847
Synonyms: 5,5- dimethyl- 2- [(propylamino)methylidene]cyclohexane- 1,3- dione
Smiles: CCCNC=C1C(=O)CC(CC1=O)(C)C

STK525849
Synonyms: 1- (3- {[4,6- dihydroxy- 2- (methylsulfanyl)pyrimidin- 5- yl]methyl}- 4- propoxyphenyl)ethanone
Smiles: CCCOc1ccc(cc1Cc1c(O)nc(nc1O)SC)C(=O)C

STK833136
Synonyms: 3,6- di- tert- butyl- 4- chlorocyclohexa- 3,5- diene- 1,2- dione
Smiles: O=C1C(=O)C(=C(C=C1C(C)(C)C)Cl)C(C)(C)C

STK525852
Synonyms: 3- (benzylamino)- 1- phenyl- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: N#Cc1c(NCc2ccccc2)nc(c2c1CCCC2)c1ccccc1

STK525854
Synonyms: 6- (ethoxymethyl)- 5- [4- (2- methylpropoxy)benzyl]- 2- sulfanylpyrimidin- 4- ol
Smiles: CCOCc1nc(S)nc(c1Cc1ccc(cc1)OCC(C)C)O

STK525855
Synonyms: 2- [(2E)- 2- {1- [4- (hexyloxy)phenyl]ethylidene}hydrazinyl]- 4,5- dihydro- 1H- imidazole
Smiles: CCCCCCOc1ccc(cc1)/C(=N/NC1=NCCN1)/C

STK833137
Synonyms: (3Z)- 3- (1H- indol- 3- ylmethylidene)- 2- benzofuran- 1(3H)- one
Smiles: O=C1O/C(=C\c2c[nH]c3c2cccc3)/c2c1cccc2

STK525859
Synonyms: ethyl5,5- dimethyl- 2- [(phenylcarbonyl)amino]- 4,7- dihydro- 5H- thieno[2,3- c]thiopyran- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC(C)(C)SC2

STK525860
Synonyms: 5- cyano- 2- methyl- 6- {[2- oxo- 2- (propan- 2- ylamino)ethyl]sulfanyl}- N- phenyl- 1,4- dihydro- 4,4'- bipyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)NC(C)C)NC(=C(C1c1ccncc1)C(=O)Nc1ccccc1)C

STK833141
Synonyms: methyl(2Z)- 3- (5- cyano- 2- phenyl- 2H- 1,2,3- triazol- 4- yl)prop- 2- enoate
Smiles: COC(=O)/C=C\c1nn(nc1C#N)c1ccccc1

STK525863
Synonyms: (3E)- 1- (2- chloroethyl)- 3- (hydroxyimino)- 1,3- dihydro- 2H- indol- 2- one
Smiles: ClCCN1c2ccccc2/C(=N\O)/C1=O

STK525864
Synonyms: N- {2- [(1- bromonaphthalen- 2- yl)oxy]- 5- chlorophenyl}- 2- hydroxy- 3,5- diiodobenzamide
Smiles: Clc1ccc(c(c1)NC(=O)c1cc(I)cc(c1O)I)Oc1ccc2c(c1Br)cccc2

STK525867
Synonyms: 3- amino- 7- benzyl- 1- thioxo- 5,6,7,8- tetrahydro- 1H- thiopyrano[3,4- c]pyridine- 4- carbonitrile
Smiles: N#Cc1c(N)sc(=S)c2c1CCN(C2)Cc1ccccc1

STL036480
Synonyms: 6- (4- propoxyphenyl)- 4,5- dihydropyridazin- 3(2H)- one
Smiles: CCCOc1ccc(cc1)C1=NNC(=O)CC1

STK833146
Synonyms: 1- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 3- (morpholin- 4- yl)propan- 1- one
Smiles: O=C(c1ccc2c(c1)OCCO2)CCN1CCOCC1

STK525870
Synonyms: 4,4'- [ethane- 1,2- diylbis(oxy)]bis[N,N- bis(2- chloroethyl)benzamide]
Smiles: ClCCN(C(=O)c1ccc(cc1)OCCOc1ccc(cc1)C(=O)N(CCCl)CCCl)CCCl

STK525872
Synonyms: 3- chloro- N- hydroxy- 2,2- dimethylpropanamide
Smiles: ClCC(C(=O)NO)(C)C

STK525874
Synonyms: 2- [(dipropylamino)methyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCN(Cc1nc2c3ccccc3CC3(c2c(=O)[nH]1)CCCC3)CCC

STK525876
Synonyms: (4- chlorophenyl){2- [(E)- 2- (dimethylamino)ethenyl]- 5- methoxy- 1- benzofuran- 3- yl}methanone
Smiles: COc1ccc2c(c1)c(c(o2)/C=C/N(C)C)C(=O)c1ccc(cc1)Cl

STK525877
Synonyms: (2R,3R,10bS)- 3- [(4- methoxyphenyl)carbonyl]- 2- (pyridin- 3- yl)- 2,3- dihydropyrrolo[2,1- a]isoquinoline- 1,1(10bH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2cccnc2)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)c1ccc(cc1)OC

STK525878
Synonyms: N- (3- chloro- 4- ethoxybenzyl)imidodicarbonimidicdiamide
Smiles: CCOc1ccc(cc1Cl)CNC(=N)NC(=N)N

STK525879
Synonyms: 1- (3- phenyl- 4,5- dihydropyrazolo[4,3- a]carbazol- 10(3H)- yl)- 3- (propan- 2- ylamino)propan- 2- ol
Smiles: CC(NCC(Cn1c2ccccc2c2c1c1cnn(c1CC2)c1ccccc1)O)C

STK525882
Synonyms: 2- (prop- 2- en- 1- ylsulfanyl)- 7- propyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCN1CCc2c(C1)sc1c2c(N)nc(n1)SCC=C

STK525884
Synonyms: [3- amino- 6- methyl- 4- (trifluoromethyl)thieno[2,3- b]pyridin- 2- yl](phenyl)methanone
Smiles: Cc1nc2sc(c(c2c(c1)C(F)(F)F)N)C(=O)c1ccccc1

STK525885
Synonyms: N- {2- [(4- cyano- 1- phenyl- 5,6,7,8- tetrahydroisoquinolin- 3- yl)amino]ethyl}furan- 2- carboxamide
Smiles: N#Cc1c(NCCNC(=O)c2ccco2)nc(c2c1CCCC2)c1ccccc1

STK833153
Synonyms: ethyl6- amino- 4- (5- chloro- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)- 5- cyano- 2- methyl- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(C)OC(=C(C1c1c(C)nn(c1Cl)c1ccccc1)C#N)N

STK525888
Synonyms: ethyl3- {[N- (4,5- dimethyl- 1,3- thiazol- 2- yl)glycyl]amino}- 5- methyl- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CNc1sc(c(n1)C)C)cc(cc2)C

STK525889
Synonyms: ethyl5- methyl- 3- {[N- (1,3,4- thiadiazol- 2- yl)glycyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CNc1nncs1)cc(cc2)C

STK525892
Synonyms: 2- methyl- 3- (phenylcarbonyl)naphtho[1,2- b]furan- 5- ylacetate
Smiles: CC(=O)Oc1cc2c(c(oc2c2c1cccc2)C)C(=O)c1ccccc1

STK801737
Synonyms: 4- (5- methoxy- 2- methyl- 1H- indol- 3- yl)- 1,3- thiazol- 2- amine
Smiles: COc1ccc2c(c1)c(c1csc(n1)N)c([nH]2)C

STK525894
Synonyms: ethyl[5- (N,N- diethylglycyl)- 5H- dibenzo[b,f]azepin- 3- yl]carbamate
Smiles: CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1C=C2

STK833157
Synonyms: methyl2- ({[1,1,1- trifluoro- 2- (trifluoromethyl)butan- 2- yl]carbamoyl}amino)benzoate
Smiles: COC(=O)c1ccccc1NC(=O)NC(C(F)(F)F)(C(F)(F)F)CC

STK525896
Synonyms: 2- [(4- oxo- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1[nH]c(=O)c2c(n1)sc1c2CCC1

STK525900
Synonyms: 1- (4- bromobenzyl)- 8- [(3- hydroxypropyl)amino]- 3,7- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1)Br

STK525904
Synonyms: 4- (2- amino- 1,3- thiazol- 4- yl)- 2,6- di- tert- butylphenol
Smiles: Nc1scc(n1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK525905
Synonyms: 2,4,6- trimethylpyridine- 3- sulfonicacid
Smiles: Cc1cc(C)c(c(n1)C)S(=O)(=O)O

STK525906
Synonyms: 3- chloro- 7- ethyl- 1- [(3- hydroxypropyl)amino]- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: OCCCNc1nc(Cl)c(c2c1CN(CC)CC2)C#N

STK525909
Synonyms: (2E)- 2- (2- chlorobenzylidene)- 6- methyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- one
Smiles: Cc1ccc2c(c1)c1CC/C(=C\c3ccccc3Cl)/C(=O)c1[nH]2

STK525910
Synonyms: [(5- hydroxy- 3- phenyl- 1H- pyrazol- 4- yl)(thiophen- 3- yl)methyl]propanedinitrile
Smiles: N#CC(C(c1c(O)[nH]nc1c1ccccc1)c1cscc1)C#N

STK525911
Synonyms: 9- tert- butyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC(C1CCc2c(C1)sc1c2c2ncnn2cn1)(C)C

STK833164
Synonyms: (2Z)- 1- (2,4- dichlorophenyl)- 4- methyl- 2- (1H- 1,2,4- triazol- 1- yl)pent- 2- en- 1- one
Smiles: CC(/C=C(/C(=O)c1ccc(cc1Cl)Cl)\n1cncn1)C

STK525913
Synonyms: 2,3- dimethoxy- 6- {(E)- [2- (pyridin- 3- ylcarbonyl)hydrazinylidene]methyl}benzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)/C=N/NC(=O)c1cccnc1

STK833165
Synonyms: 2- {[6- ethyl- 3- (4- methyl- 1,3- thiazol- 2- yl)- 4- oxo- 4H- chromen- 7- yl]oxy}- N- (2- hydroxyethyl)propanamide
Smiles: CCc1cc2c(cc1OC(C(=O)NCCO)C)occ(c2=O)c1nc(cs1)C

STK525916
Synonyms: 3- (imidazo[2,1- b][1,3]thiazol- 6- yl)- 1H- indole
Smiles: c1ccc2c(c1)c(c[nH]2)c1cn2c(n1)scc2

STK833168
Synonyms: (1S,2S)- 2- phenyl- N- [(1S,2S)- 2- phenylcyclopropyl]cyclopropanecarboxamide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N[C@H]1C[C@H]1c1ccccc1

STK525922
Synonyms: [(7- benzyl- 3- methyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl)sulfanyl]aceticacid
Smiles: OC(=O)CSc1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C

STK525924
Synonyms: 1- azabicyclo[2.2.2]oct- 3- yl[bis(3,4- dimethylphenyl)]methanol
Smiles: Cc1ccc(cc1C)C(C1CN2CC[C@H]1CC2)(c1ccc(c(c1)C)C)O

STK525925
Synonyms: 2- [(3- chloro- 4- methoxybenzyl)sulfanyl]ethanamine
Smiles: NCCSCc1ccc(c(c1)Cl)OC

STK525929
Synonyms: 10- amino- 7,11- dicyano- 3- ethyl- 9- aza- 3- azoniaspiro[5.5]undeca- 7,10- diene- 8- thiolate
Smiles: CC[NH+]1CCC2(CC1)C(=C([S-])NC(=C2C#N)N)C#N

STK525936
Synonyms: (3aR,7aS)- 5- chloro- 2- [2- (morpholin- 4- yl)ethyl]- 2,3,3a,4,7,7a- hexahydro- 1H- isoindole
Smiles: ClC1=CC[C@H]2[C@@H](C1)CN(C2)CCN1CCOCC1

STK525938
Synonyms: N'- [2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d][1,2,3]triazin- 8- yl]- N,N- dimethylethane- 1,2- diamine
Smiles: CN(CCNc1nnnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)C

STK833177
Synonyms: ethyl2- amino- 4- (pyridin- 3- yl)thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(N)scc1c1cccnc1

STK525939
Synonyms: diethyl[(1E)- 2- amino- N- {[(4- methoxyphenyl)carbonyl]oxy}- 2- oxoethanimidoyl]phosphonate
Smiles: CCOP(=O)(/C(=N/OC(=O)c1ccc(cc1)OC)/C(=O)N)OCC

STK525948
Synonyms: 7- (dimethylamino)- 4- hydroxy- 1- methylquinolin- 2(1H)- one
Smiles: CN(c1ccc2c(c1)n(C)c(=O)cc2O)C

STK833182
Synonyms: prop- 2- en- 1- yl3- methyl- 2- [(phenylcarbonyl)amino]but- 2- enoate
Smiles: C=CCOC(=O)C(=C(C)C)NC(=O)c1ccccc1

STK525950
Synonyms: 2- {3- [(dimethylamino)methyl]- 4- ethoxybenzyl}propanediamide
Smiles: CCOc1ccc(cc1CN(C)C)CC(C(=O)N)C(=O)N

STK833183
Synonyms: 2- (benzylsulfanyl)- 3- (prop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: C=CCn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK525961
Synonyms: 3,5- di- tert- butyl- 4- hydroxybenzylthiocyanate
Smiles: N#CSCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK833185
Synonyms: 4- amino- N- (4- methoxyphenyl)benzamide
Smiles: COc1ccc(cc1)NC(=O)c1ccc(cc1)N

STK833186
Synonyms: (2E)- 1- (5- chloro- 2- hydroxyphenyl)- 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)prop- 2- en- 1- one
Smiles: Clc1ccc(c(c1)C(=O)/C=C/c1ccc2c(c1)OCCO2)O

STK833188
Synonyms: 2- [(E)- 2- (2- fluorophenyl)ethenyl]- 3- (3- methylphenyl)quinazolin- 4(3H)- one
Smiles: Cc1cccc(c1)n1c(/C=C/c2ccccc2F)nc2c(c1=O)cccc2

STK525969
Synonyms: 1,8- bis(4- fluorophenyl)octane- 1,8- dione
Smiles: O=C(c1ccc(cc1)F)CCCCCCC(=O)c1ccc(cc1)F

STK833189
Synonyms: 1- benzyldihydropyrimidine- 2,4(1H,3H)- dione
Smiles: O=C1NC(=O)CCN1Cc1ccccc1

STK525970
Synonyms: 4- (5- cyano- 8- ethyl- 3,3- dimethyl- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridin- 6- yl)- N- phenylpiperazine- 1- carbothioamide
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)CC)N1CCN(CC1)C(=S)Nc1ccccc1

STK833191
Synonyms: 3- (4- methylphenyl)- 2- [(2- phenylethyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1ccc(cc1)n1c(SCCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK833192
Synonyms: ethyl3- amino- 5- methyl- 4- {[3- (morpholin- 4- yl)propyl]carbamoyl}thiophene- 2- carboxylate
Smiles: CCOC(=O)c1sc(c(c1N)C(=O)NCCCN1CCOCC1)C

STK525973
Synonyms: N- [(5- bromopyridin- 3- yl)carbonyl]methionine
Smiles: CSCCC(C(=O)O)NC(=O)c1cncc(c1)Br

STK525974
Synonyms: 3- [(2- cyanoethyl)sulfanyl]- 1- (morpholin- 4- yl)- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: N#CCCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2

STK525975
Synonyms: ethyl6- amino- 5- cyano- 4- (2,4- difluorophenyl)- 2- phenyl- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(OC(=C(C1c1ccc(cc1F)F)C#N)N)c1ccccc1

STK525977
Synonyms: (5- methoxy- 2- methyl- 1- benzofuran- 3- yl)(phenyl)methanone
Smiles: COc1ccc2c(c1)c(c(o2)C)C(=O)c1ccccc1

STK833195
Synonyms: ethyl{[4,6- bis(dimethylamino)- 1,3,5- triazin- 2- yl]oxy}acetate
Smiles: CCOC(=O)COc1nc(nc(n1)N(C)C)N(C)C

STK525978
Synonyms: 2- (dimethylamino)ethyl3- (3,5- di- tert- butyl- 4- hydroxyphenyl)propanoate
Smiles: CN(CCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C

STK525981
Synonyms: 2- {4- [(E)- 2- chloro- 1,2- diphenylethenyl]phenoxy}- N,N- diethylethanamine
Smiles: CCN(CCOc1ccc(cc1)/C(=C(\c1ccccc1)/Cl)/c1ccccc1)CC

STK833200
Synonyms: 6,6,7- trimethyl- 1- (morpholin- 4- yl)- 3- (prop- 2- en- 1- ylsulfanyl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: C=CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(N(C2)C)(C)C

STK525984
Synonyms: (3,5- di- tert- butyl- 4- hydroxyphenyl)(phenyl)methanone
Smiles: O=C(c1ccccc1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK525987
Synonyms: methyl3- {(E)- [1- (4- fluorobenzyl)- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene]methyl}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1/C=C/1\C(=O)NC(=O)N(C1=O)Cc1ccc(cc1)F)cccc2

STK525989
Synonyms: N- butyl- 2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK525993
Synonyms: 2- ({4- [(5E)- 5- (3- {4- [(2- carboxyphenyl)amino]- 4- oxobutyl}- 2- oxo- 4- thioxo- 1,3- thiazolidin- 5- ylidene)- 2- oxo- 4- thioxo- 1,3- thiazolidin- 3- yl]butanoyl}amino)benzoicacid
Smiles: O=C(Nc1ccccc1C(=O)O)CCCN1C(=O)S/C(=C\2/SC(=O)N(C2=S)CCCC(=O)Nc2ccccc2C(=O)O)/C1=S

STK833203
Synonyms: (5- hydroxy- 1- benzofuran- 3- yl)(thiophen- 2- yl)methanone
Smiles: Oc1ccc2c(c1)c(co2)C(=O)c1cccs1

STK833204
Synonyms: 1- (4- butoxy- 3- {[4,6- dihydroxy- 2- (methylsulfanyl)pyrimidin- 5- yl]methyl}phenyl)ethanone
Smiles: CCCCOc1ccc(cc1Cc1c(O)nc(nc1O)SC)C(=O)C

STK833205
Synonyms: 2- amino- 4- {3- [(3,5- dimethyl- 4- nitro- 1H- pyrazol- 1- yl)methyl]- 4- methoxyphenyl}- 7,7- dimethyl- 5- oxo- 5,6,7,8- tetrahydro- 4H- chromene- 3- carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1ccc(c(c1)Cn1nc(c(c1C)[N+](=O)[O-])C)OC)C(=O)CC(C2)(C)C

STK525997
Synonyms: N- cyclohexylpyridin- 4- amine
Smiles: C1CCC(CC1)Nc1ccncc1

STK526000
Synonyms: 4- (3- bromopropyl)- 2,6- di- tert- butylphenol
Smiles: BrCCCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK526001
Synonyms: 5- hydroxy- 1- phenyl- 1H- pyrazole- 4- carbonitrile
Smiles: N#Cc1cnn(c1O)c1ccccc1

STK526002
Synonyms: N~4~- {7- chloro- 2- [(E)- 2- phenylethenyl]quinazolin- 4- yl}- N~1~,N~1~- diethylpentane- 1,4- diamine
Smiles: CCN(CCCC(Nc1nc(/C=C/c2ccccc2)nc2c1ccc(c2)Cl)C)CC

STK526003
Synonyms: 8- (ethylsulfanyl)- 2,2- dimethyl- 5- (piperidin- 1- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCCC1

STK833208
Synonyms: 5- (thiophen- 3- yl)thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: O=c1[nH]cnc2c1c(cs2)c1cscc1

STK526005
Synonyms: 4,7,7,8- tetramethyl- 1- thioxo- 2,4,6,7,8,9- hexahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(1H)- one
Smiles: CN1Cc2sc3c(c2CC1(C)C)c(=O)n(c1n3c(=S)[nH]n1)C

STK526006
Synonyms: 3,5- dibromo- N- {4- chloro- 2- [5- methyl- 2- (propan- 2- yl)phenoxy]phenyl}- 2- hydroxybenzamide
Smiles: Clc1ccc(c(c1)Oc1cc(C)ccc1C(C)C)NC(=O)c1cc(Br)cc(c1O)Br

STK526009
Synonyms: {[(1- benzyl- 5- oxo- 2- thioxoimidazolidin- 4- yl)methyl]sulfanyl}aceticacid
Smiles: OC(=O)CSCC1NC(=S)N(C1=O)Cc1ccccc1

STK526010
Synonyms: 2- [(3- methyl- 6- oxo- 6H- pyrimido[2,1- b]quinazolin- 2- yl)amino]- N- phenylbenzamide
Smiles: O=C(c1ccccc1Nc1nc2nc3ccccc3c(=O)n2cc1C)Nc1ccccc1

STK526012
Synonyms: 2- amino- 4- (4- chlorophenyl)- 6- {[2- oxo- 2- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)ethyl]sulfanyl}pyridine- 3,5- dicarbonitrile
Smiles: N#Cc1c(SCC(=O)C23CC4CC(C3)CC(C2)C4)nc(c(c1c1ccc(cc1)Cl)C#N)N

STK526016
Synonyms: 6,7,8,9- tetrahydro- 11H- indeno[1,2- b]quinoxalin- 11- one5,10- dioxide
Smiles: [O-][n+]1c2CCCCc2[n+](c2c1c1ccccc1C2=O)[O-]

STK833210
Synonyms: 3- (4- methylphenyl)- N- phenyl- 1H- pyrazole- 5- carboxamide
Smiles: Cc1ccc(cc1)c1n[nH]c(c1)C(=O)Nc1ccccc1

STK526019
Synonyms: methyl3- (3,5- di- tert- butyl- 4- hydroxyphenyl)- 4,5- dihydro- 1,2- oxazole- 5- carboxylate
Smiles: COC(=O)C1ON=C(C1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK526020
Synonyms: ethyl6- amino- 4- (2- chlorophenyl)- 5- cyano- 2- ({[3- cyano- 6- methyl- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydro- 1,6- naphthyridin- 2- yl]sulfanyl}methyl)- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc3CCN(Cc3c(c2C#N)c2cccs2)C)OC(=C(C1c1ccccc1Cl)C#N)N

STK526022
Synonyms: N- {4- [(4- bromonaphthalen- 1- yl)oxy]- 3- chlorophenyl}- 3,5- dichloro- 2- hydroxybenzamide
Smiles: Clc1cc(Cl)c(c(c1)C(=O)Nc1ccc(c(c1)Cl)Oc1ccc(c2c1cccc2)Br)O

STK833213
Synonyms: N- (10,11- dihydro- 5H- dibenzo[b,f]azepin- 3- yl)- 2- propylpentanamide
Smiles: CCCC(C(=O)Nc1ccc2c(c1)Nc1ccccc1CC2)CCC

STK526028
Synonyms: 2- [(E)- (4- bromophenyl)diazenyl]- 3- hydroxypyridine- 4- carboxylicacid
Smiles: Brc1ccc(cc1)/N=N/c1nccc(c1O)C(=O)O

STK526029
Synonyms: 6- (5- amino- 1,3,4- oxadiazol- 2- yl)- 3- methylpyrimidine- 2,4(1H,3H)- dione
Smiles: Nc1nnc(o1)c1cc(=O)n(c(=O)[nH]1)C

STK526030
Synonyms: bis(3- iodophenyl)(pyridin- 2- yl)methanol
Smiles: Ic1cccc(c1)C(c1ccccn1)(c1cccc(c1)I)O

STK526031
Synonyms: 8- [(2- methoxyethyl)amino]- 1,3- dimethyl- 7- (2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COCCNc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C

STK833218
Synonyms: 6- (benzylsulfanyl)- 3,3- dimethyl- 8- (pyrrolidin- 1- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(SCc2ccccc2)nc(c2c1CC(C)(C)OC2)N1CCCC1

STK526037
Synonyms: 1- butyl- 5- [(S)- (1- butyl- 6- hydroxy- 2,4- dioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl)(pyridinium- 4- yl)methyl]- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: CCCCn1c(=O)[nH]c(=O)c(c1O)[C@@H](c1c([O-])[nH]c(=O)n(c1=O)CCCC)c1cc[nH+]cc1

STK526038
Synonyms: 2- (4,5- dihydro- 1H- imidazol- 2- ylamino)ethanol
Smiles: OCCNC1=NCCN1

STK526040
Synonyms: 2,6- di- tert- butyl- 4- {[(2,2- dimethyl- 1,3- dioxolan- 4- yl)methoxy]methyl}phenol
Smiles: Oc1c(cc(cc1C(C)(C)C)COCC1COC(O1)(C)C)C(C)(C)C

STK526042
Synonyms: 2- {4- [(1S,8aR)- 3- amino- 7- tert- butyl- 2,2,4- tricyano- 1,2,6,7,8,8a- hexahydronaphthalen- 1- yl]phenoxy}acetamide
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCC(C2)C(C)(C)C)c1ccc(cc1)OCC(=O)N)(C#N)C#N

STK526044
Synonyms: N,N,5,5- tetramethyl- 3- (4- nitrophenyl)- 1,2,4- oxadiazol- 4(5H)- amine
Smiles: CN(N1C(=NOC1(C)C)c1ccc(cc1)[N+](=O)[O-])C

STK526047
Synonyms: 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[1,5- c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncn1c2ncn1

STK833225
Synonyms: 1- (4- chlorobutyl)- 1H- indole- 2,3- dione
Smiles: ClCCCCN1c2ccccc2C(=O)C1=O

STK526052
Synonyms: 6- amino- 2- methyl- 8- (2- nitrophenyl)- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCN(C2)C)c1ccccc1[N+](=O)[O-])(C#N)C#N

STK833230
Synonyms: N- (butan- 2- yl)- N'- ethyl- 6- [(propan- 2- ylideneamino)oxy]- 1,3,5- triazine- 2,4- diamine
Smiles: CCNc1nc(NC(CC)C)nc(n1)ON=C(C)C

STK833234
Synonyms: 2- methoxyethyl5- [(2- fluorobenzyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1ccccc1F)cc2

STK526062
Synonyms: 4- benzyl- 1- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)CCCCC3

STK526072
Synonyms: 8- butyl- 3,3- dimethyl- 6- (morpholin- 4- yl)- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCCc1nc(N2CCOCC2)c(c2c1CSC(C2)(C)C)C#N

STK526075
Synonyms: 5- [bis(2- chloroethyl)sulfamoyl]- 1H- indole- 3- carboxylicacid
Smiles: ClCCN(S(=O)(=O)c1ccc2c(c1)c(c[nH]2)C(=O)O)CCCl

STK526077
Synonyms: 4- benzyl- 1- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)CCCCC3

STK526078
Synonyms: ethyl(2E)- 3- (5- amino- 3,3- dimethyl- 3,4- dihydro- 2H- pyran- 6- yl)- 2- cyanoprop- 2- enoate
Smiles: CCOC(=O)/C(=C/C1=C(N)CC(CO1)(C)C)/C#N

STK526080
Synonyms: ethyl3- amino- 3- phenylpropanoate
Smiles: CCOC(=O)CC(c1ccccc1)N

STK526082
Synonyms: S- phenyl[(2- oxo- 2,3- dihydro- 1H- indol- 3- yl)amino]ethanethioate
Smiles: O=C(Sc1ccccc1)CNC1C(=O)Nc2c1cccc2

STK526084
Synonyms: ethyl5- methyl- 3- [(N- methylglycyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CNC)cc(cc2)C

STK833245
Synonyms: ethyl[5- (methylcarbamoyl)- 10,11- dihydro- 5H- dibenzo[b,f]azepin- 3- yl]carbamate
Smiles: CCOC(=O)Nc1ccc2c(c1)N(C(=O)NC)c1ccccc1CC2

STK833246
Synonyms: 10,11- dihydro- 5H- dibenzo[b,f]azepin- 5- yl[4- (2- hydroxyethyl)piperazin- 1- yl]methanone
Smiles: OCCN1CCN(CC1)C(=O)N1c2ccccc2CCc2c1cccc2

STK801738
Synonyms: ethyl(2Z)- cyano(2,2- dimethyltetrahydro- 4H- pyran- 4- ylidene)ethanoate
Smiles: CCOC(=O)/C(=C\1/CCOC(C1)(C)C)/C#N

STK526088
Synonyms: N- (5- bromo- 1,3- benzodioxol- 4- yl)- N~2~,N~2~- diethylglycinamide
Smiles: CCN(CC(=O)Nc1c(Br)ccc2c1OCO2)CC

STK833248
Synonyms: 3- cyclopentyl- 2- (prop- 2- en- 1- ylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCC1)CCCCC3

STK526091
Synonyms: 1- amino- 3- (diphenylamino)propan- 2- ol
Smiles: NCC(CN(c1ccccc1)c1ccccc1)O

STK833250
Synonyms: 2,4- di- tert- butyl- 6- (morpholin- 4- ylmethyl)phenol
Smiles: Oc1c(CN2CCOCC2)cc(cc1C(C)(C)C)C(C)(C)C

STK526096
Synonyms: methyl2- amino- 4- (4- fluorophenyl)- 5- oxo- 4H,5H- pyrano[3,2- c]chromene- 3- carboxylate
Smiles: COC(=O)C1=C(N)Oc2c(C1c1ccc(cc1)F)c(=O)oc1c2cccc1

STK526097
Synonyms: [1- benzyl- 4- (ethoxycarbonyl)- 5- methyl- 2- oxo- 2,3- dihydro- 1H- pyrrol- 3- yl]aceticacid
Smiles: CCOC(=O)C1=C(C)N(C(=O)C1CC(=O)O)Cc1ccccc1

STK526098
Synonyms: ethyl1- amino- 5,8,8- trimethyl- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)C

STK526102
Synonyms: 3- [(2- methylphenyl)carbamoyl]bicyclo[2.2.1]hept- 5- ene- 2- carboxylicacid
Smiles: O=C(C1C2C=CC(C1C(=O)O)C2)Nc1ccccc1C

STK526107
Synonyms: 3,3- dimethyl- 6- [(3- methylbutyl)amino]- 8- (propan- 2- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(NCCC(C)C)nc(c2c1CC(C)(C)OC2)C(C)C

STK526108
Synonyms: (2,2,4- trimethyl- 6- tritylquinolin- 1(2H)- yl)oxidanyl
Smiles: CC1=CC(C)(C)N(c2c1cc(cc2)C(c1ccccc1)(c1ccccc1)c1ccccc1)[O]

STK833256
Synonyms: [4,6- bis(dimethylamino)- 1,3,5- triazin- 2- yl][(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl]cyanamide
Smiles: N#CN(c1nc(nc(n1)N(C)C)N(C)C)CN1C(=O)c2c(C1=O)cccc2

STK526114
Synonyms: 2- chloro- 2- nitro- 1H- phenalene- 1,3(2H)- dione
Smiles: O=C1c2cccc3c2c(C(=O)C1(Cl)[N+](=O)[O-])ccc3

STK833258
Synonyms: 1- (3- chlorobenzyl)- 3,7- dimethyl- 8- [(2- methylpropyl)amino]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(CNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1cccc(c1)Cl)C

STK526116
Synonyms: N,N'- dibutyl- 1,4,10,13- tetraoxa- 7,16- diazacyclooctadecane- 7,16- dicarboxamide
Smiles: CCCCNC(=O)N1CCOCCOCCN(CCOCCOCC1)C(=O)NCCCC

STK526122
Synonyms: 7- (2- chloro- 6- fluorobenzyl)- 8- [(1- hydroxybutan- 2- yl)amino]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCC(Nc1nc2c(n1Cc1c(F)cccc1Cl)c(=O)n(c(=O)n2C)C)CO

STK526123
Synonyms: 7,9- di- tert- butylspiro[4.5]deca- 6,9- dien- 8- one
Smiles: CC(C1=CC2(CCCC2)C=C(C1=O)C(C)(C)C)(C)C

STK526128
Synonyms: 1,4- dimethylspiro[2.2]pentane- 1,4- dicarboxylicacid
Smiles: OC(=O)C1(C)CC21CC2(C)C(=O)O

STK526129
Synonyms: 4- (morpholin- 4- yl)quinazoline
Smiles: O1CCN(CC1)c1ncnc2c1cccc2

STK833264
Synonyms: 6- chloro- N,N- diethyl- 2,3,4,9- tetrahydro- 1H- carbazole- 1- carboxamide
Smiles: CCN(C(=O)C1CCCc2c1[nH]c1c2cc(cc1)Cl)CC

STK833265
Synonyms: 6- (4- methylphenyl)- 1,2- dihydropyridazine- 3,4- dione
Smiles: Cc1ccc(cc1)c1[nH][nH]c(=O)c(=O)c1

STK526133
Synonyms: N'- {(E)- [4- (benzyloxy)phenyl]methylidene}- 3- (3,5- dimethyl- 1H- pyrazol- 1- yl)propanehydrazide
Smiles: O=C(CCn1nc(cc1C)C)N/N=C/c1ccc(cc1)OCc1ccccc1

STK526135
Synonyms: N- [(1E)- 3- [2- (3- nitrophenyl)hydrazinyl]- 3- oxo- 1- (pyridin- 3- yl)prop- 1- en- 2- yl]benzamide
Smiles: O=C(/C(=C\c1cccnc1)/NC(=O)c1ccccc1)NNc1cccc(c1)[N+](=O)[O-]

STK833268
Synonyms: N- {1- [(3- hydroxypropyl)amino]- 3- methyl- 1- oxobut- 2- en- 2- yl}benzamide
Smiles: OCCCNC(=O)C(=C(C)C)NC(=O)c1ccccc1

STK833271
Synonyms: 3,3- dimethyl- 8- phenyl- 6- (pyrrolidin- 1- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)OC2)c1ccccc1)N1CCCC1

STK526143
Synonyms: 4- benzyl- 1- [(2,4- dimethylbenzyl)sulfanyl]- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: Cc1ccc(c(c1)C)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)CCCCC3

STK833273
Synonyms: 2- (4- benzyl- 2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- N- (2- methylphenyl)acetamide
Smiles: O=C(CC1(CCOC(C1)(C)C)Cc1ccccc1)Nc1ccccc1C

STK526144
Synonyms: diethyl[(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl]phosphonate
Smiles: CCOP(=O)(CN1C(=O)c2c(C1=O)cccc2)OCC

STK526148
Synonyms: 1- (ethylsulfanyl)- 4- (4- methoxyphenyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

STK833275
Synonyms: 2- phenyl- 6- (propylsulfanyl)imidazo[1,2- a]pyridine
Smiles: CCCSc1ccc2n(c1)cc(n2)c1ccccc1

STK526149
Synonyms: 2- [(4- chloro- 2,3,5,6- tetrafluorophenyl)sulfanyl]- 1,3- benzothiazole
Smiles: Fc1c(Sc2nc3c(s2)cccc3)c(F)c(c(c1F)Cl)F

STK526151
Synonyms: 3- benzyl- 2- (benzylsulfanyl)- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)SCc1ccccc1)Cc1ccccc1

STK526153
Synonyms: 1,1'- butane- 1,4- diyldiazepane
Smiles: C(CN1CCCCCC1)CCN1CCCCCC1

STK833280
Synonyms: 6- amino- 4- {3- [(3,5- dimethyl- 4- nitro- 1H- pyrazol- 1- yl)methyl]- 4- methoxyphenyl}- 3- methyl- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Cn1nc(c(c1C)[N+](=O)[O-])C)OC)c(C)[nH]n2

STK526160
Synonyms: 2- (phenylsulfanyl)- 4,6- bis(trifluoromethyl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(Sc2ccccc2)nc(cc1C(F)(F)F)C(F)(F)F

STK833281
Synonyms: 3- benzyl- 2- (prop- 2- yn- 1- ylsulfanyl)quinazolin- 4(3H)- one
Smiles: C#CCSc1nc2ccccc2c(=O)n1Cc1ccccc1

STK526161
Synonyms: 5- methyl- 2- propylcyclohexanol
Smiles: CCCC1CCC(CC1O)C

STK526163
Synonyms: ethyl5- bromo- 3- {[N- (1,3,4- thiadiazol- 2- yl)glycyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CNc1nncs1)cc(cc2)Br

STK833283
Synonyms: ethyl4- hydroxy- 2- oxo- 1,2- dihydroquinoline- 3- carboxylate
Smiles: CCOC(=O)c1c(=O)[nH]c2c(c1O)cccc2

STK526166
Synonyms: 3- (2- chlorophenyl)- 5- methyl- N'- (propan- 2- ylidene)- 1,2- oxazole- 4- carbohydrazide
Smiles: CC(=NNC(=O)c1c(C)onc1c1ccccc1Cl)C

STK833286
Synonyms: 4- amino- 2- (ethylamino)- 5- [(4- fluorophenyl)carbonyl]thiophene- 3- carbonitrile
Smiles: CCNc1sc(c(c1C#N)N)C(=O)c1ccc(cc1)F

STK526168
Synonyms: 1- (3,4- dichlorophenyl)- 6- hydroxy- 3,4,4,6- tetramethyltetrahydropyrimidin- 2(1H)- one
Smiles: O=C1N(c2ccc(c(c2)Cl)Cl)C(C)(O)CC(N1C)(C)C

STK526169
Synonyms: (2Z)- 3- amino- 3- {[2- (diethylamino)ethyl]amino}- 2- [(Z)- (3- oxo- 1,3- dihydro- 2H- indol- 2- ylidene)methyl]prop- 2- enenitrile
Smiles: CCN(CCN/C(=C(/C=C/1\Nc2c(C1=O)cccc2)\C#N)/N)CC

STK526171
Synonyms: N- (1,3- benzothiazol- 2- yl)- 2- {[4- (4- chlorophenyl)- 3- cyano- 6- phenylpyridin- 2- yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)Nc2nc3c(s2)cccc3)nc(cc1c1ccc(cc1)Cl)c1ccccc1

STK526172
Synonyms: 2- [(benzylsulfanyl)methyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: O=c1[nH]c(CSCc2ccccc2)nc2c1C1(CCCCC1)Cc1c2cccc1

STK526174
Synonyms: (2E,4E)- 5- (4- fluorophenyl)- 3- methylpenta- 2,4- dienoicacid
Smiles: C/C(=C\C(=O)O)/C=C/c1ccc(cc1)F

STK526176
Synonyms: 1- (3- fluoro- 4- methoxyphenyl)- 2- (morpholin- 4- yl)ethanone
Smiles: COc1ccc(cc1F)C(=O)CN1CCOCC1

STK833290
Synonyms: (2E)- 2- [(dimethylamino)methylidene]- 3H- pyrrolo[1,2- a]indole- 3,9(2H)- dione
Smiles: CN(/C=c/1\cc2n(c1=O)c1c(c2=O)cccc1)C

STK526183
Synonyms: 3- cyclohexyl- 2- hydrazinyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3

STK833291
Synonyms: ethyl5- methyl- 4- oxo- 3- (2- phenylethyl)- 3,4- dihydrothieno[3,4- d][1,2,3]triazine- 7- carboxylate
Smiles: CCOC(=O)c1sc(c2c1nnn(c2=O)CCc1ccccc1)C

STK526186
Synonyms: 2,2,6,6- tetramethyl- 1- nitrosopiperidin- 4- ol
Smiles: OC1CC(C)(C)N(C(C1)(C)C)N=O

STK526190
Synonyms: diethyl1,7- dioxa- 4,10- diazacyclododecane- 4,10- dicarboxylate
Smiles: CCOC(=O)N1CCOCCN(CCOCC1)C(=O)OCC

STK526192
Synonyms: 1H- [1]benzothieno[3,2- e]indole- 1,2(3H)- dione
Smiles: O=C1Nc2c(C1=O)c1c(cc2)sc2c1cccc2

STK526193
Synonyms: (2E,4Z)- 4- [(5- iodofuran- 2- yl)methylidene]- 3- methylpent- 2- enedioicacid
Smiles: OC(=O)/C=C(/C(=C/c1ccc(o1)I)/C(=O)O)\C

STK526197
Synonyms: 4- amino- 5- [(4- fluorophenyl)carbonyl]- 2- (prop- 2- en- 1- ylamino)thiophene- 3- carbonitrile
Smiles: C=CCNc1sc(c(c1C#N)N)C(=O)c1ccc(cc1)F

STK526198
Synonyms: 2H- pyrido[3,2- b][1,4]oxazin- 3(4H)- one
Smiles: O=C1COc2c(N1)nccc2

STK833293
Synonyms: 6- amino- 4- {3- [(2,4- difluorophenoxy)methyl]- 4- methoxyphenyl}- 3- methyl- 1- phenyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)COc1ccc(cc1F)F)OC)c(C)nn2c1ccccc1

STK526201
Synonyms: 4- (2- amino- 1,3- thiazol- 4- yl)- 4- (hydrazinylcarbonyl)- 7- methyloctanoicacid
Smiles: NNC(=O)C(c1csc(n1)N)(CCC(=O)O)CCC(C)C

STK526204
Synonyms: ethyl2- (4- amino- 3- methoxyphenyl)- 3,3,3- trifluoro- 2- hydroxypropanoate
Smiles: CCOC(=O)C(C(F)(F)F)(c1ccc(c(c1)OC)N)O

STK526205
Synonyms: (3E)- 4- (1H- tetrazol- 5- yl)tetraaz- 3- ene- 1- carboxamide
Smiles: NC(=O)NN/N=N/c1nnn[nH]1

STK526217
Synonyms: 1- amino- 5- ethyl- 8,8- dimethyl- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxylicacid
Smiles: CCc1nc2sc(c(c2c2c1COC(C2)(C)C)N)C(=O)O

STK526219
Synonyms: ethyl6- bromo- 4- [(dimethylamino)methyl]- 5- hydroxy- 1- methyl- 2- [(thiophen- 2- ylsulfanyl)methyl]- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(CSc2cccs2)n(c2c1c(CN(C)C)c(O)c(c2)Br)C

STK526220
Synonyms: 2- (methylsulfanyl)- 3- phenyl- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1

STK526221
Synonyms: 7- benzyl- 8- chloro- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=c1[nH]c(=O)n(c2c1n(Cc1ccccc1)c(n2)Cl)C

STK526224
Synonyms: 1- butyl- 3- hydroxy- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: CCCCc1nc(O)c(c2c1CCCC2)C#N

STK526226
Synonyms: 3- amino- 6- (4- fluorophenyl)- 4- phenylthieno[2,3- b]pyridine- 2- carboxylicacid
Smiles: Fc1ccc(cc1)c1nc2sc(c(c2c(c1)c1ccccc1)N)C(=O)O

STK833304
Synonyms: 2- (butylsulfanyl)- 3- (4- methoxyphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCC3

STK526230
Synonyms: 2- bromo- 1- (4- chlorophenyl)- 2- phenylethanone
Smiles: Clc1ccc(cc1)C(=O)C(c1ccccc1)Br

STK833305
Synonyms: 9- amino- 2,2- dimethyl- 5- (2- methylpropyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8(9H)- one
Smiles: CC(Cc1nc2sc3c(c2c2c1COC(C2)(C)C)ncn(c3=O)N)C

STK526233
Synonyms: 4- (3- methylphenyl)- 1- [(2- phenoxyethyl)sulfanyl]- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: Cc1cccc(c1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCCOc1ccccc1

STK833307
Synonyms: 2- (tert- butylsulfonyl)- 6,7,8,9- tetrahydropyrido[1,2- a]benzimidazole
Smiles: O=S(=O)(C(C)(C)C)c1ccc2n(c1)c1CCCCc1n2

STK526235
Synonyms: methyl[(4,6- dihydroxypyrimidin- 2- yl)sulfanyl]acetate
Smiles: COC(=O)CSc1nc(O)cc(n1)O

STK833308
Synonyms: (4Z)- 1,1,1- trichloro- 4- (hydroxyimino)- 4- (4- nitrophenyl)butan- 2- ol
Smiles: OC(C(Cl)(Cl)Cl)C/C(=N/O)/c1ccc(cc1)[N+](=O)[O-]

STK526239
Synonyms: 1,1'- ethane- 1,2- diylbis[3- (4- nitrophenyl)urea]
Smiles: O=C(Nc1ccc(cc1)[N+](=O)[O-])NCCNC(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK526241
Synonyms: N- [3- (nonyloxy)benzyl]naphthalen- 1- amine
Smiles: CCCCCCCCCOc1cccc(c1)CNc1cccc2c1cccc2

STK833310
Synonyms: ethyl3- amino- 4- (benzylcarbamoyl)- 5- methylthiophene- 2- carboxylate
Smiles: CCOC(=O)c1sc(c(c1N)C(=O)NCc1ccccc1)C

STK526244
Synonyms: 1- [1,1,1- trifluoro- 2- (trifluoromethyl)butan- 2- yl]- 3- (3,4,5- trimethoxyphenyl)urea
Smiles: CCC(C(F)(F)F)(C(F)(F)F)NC(=O)Nc1cc(OC)c(c(c1)OC)OC

STK526250
Synonyms: (2,3,5,6- tetrachloropyridin- 4- yl)phosphonicacid
Smiles: Clc1nc(Cl)c(c(c1Cl)P(=O)(O)O)Cl

STK833313
Synonyms: [2- (2,4- dichlorophenyl)- 2- (1H- 1,2,4- triazol- 1- ylmethyl)- 1,3- dioxolan- 4- yl]methanol
Smiles: OCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl

STK833315
Synonyms: 3- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)- N'- [(E)- phenylmethylidene]propanehydrazide
Smiles: O=C(CCn1cnc2c1c(=O)n(C)c(=O)n2C)N/N=C/c1ccccc1

STK833316
Synonyms: 1- (ethylsulfanyl)- 4- (2- methoxyphenyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1OC)CCCCC3

STK833318
Synonyms: 1- (5- bromo- 2- hydroxyphenyl)- 1- oxopropan- 2- yldimethylcarbamodithioate
Smiles: CC(C(=O)c1cc(Br)ccc1O)SC(=S)N(C)C

STK833319
Synonyms: 1- {[2- (4- methylphenyl)- 4- propyl- 1,3- dioxolan- 2- yl]methyl}- 1H- 1,2,4- triazole
Smiles: CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1)C

STK526258
Synonyms: ethyl6- amino- 4- (4- chlorophenyl)- 5- cyano- 2- ({[3- cyano- 6- methyl- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydro- 1,6- naphthyridin- 2- yl]sulfanyl}methyl)- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc3CCN(Cc3c(c2C#N)c2cccs2)C)OC(=C(C1c1ccc(cc1)Cl)C#N)N

STK526260
Synonyms: dimethyl4- cyano- 4- hydroxytetrahydropyridazine- 1,2- dicarboxylate
Smiles: COC(=O)N1CC(O)(C#N)CCN1C(=O)OC

STK526261
Synonyms: dipropan- 2- yl(2- amino- 1- {[(2- bromophenyl)carbonyl]amino}- 2- oxoethyl)phosphonate
Smiles: CC(OP(=O)(C(C(=O)N)NC(=O)c1ccccc1Br)OC(C)C)C

STK833321
Synonyms: [5- hydroxy- 4- (morpholin- 4- ylmethyl)- 1- benzofuran- 3- yl](4- methylphenyl)methanone
Smiles: Cc1ccc(cc1)C(=O)c1coc2c1c(CN1CCOCC1)c(cc2)O

STK833323
Synonyms: N- [(1E)- 6- nitro- 2,3,4,9- tetrahydro- 1H- carbazol- 1- ylidene]- 1- phenylmethanamine
Smiles: [O-][N+](=O)c1ccc2c(c1)c1CCC/C(=N\Cc3ccccc3)/c1[nH]2

STK526268
Synonyms: 6- (4- acetylpiperazin- 1- yl)- 8- (furan- 2- yl)- 3,3- dimethyl- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)c1ccco1)N1CCN(CC1)C(=O)C

STK833324
Synonyms: 2- [2- (3- ethyl- 5- methyl- 1,2- oxazol- 4- yl)- 3H- indol- 3- yl]- N,N- dimethyl- 2- oxoacetamide
Smiles: CCc1noc(c1C1=Nc2c(C1C(=O)C(=O)N(C)C)cccc2)C

STK526270
Synonyms: 3- [2- (4- bromophenyl)- 2- oxoethyl]- 4- oxo- 4,5,6,7- tetrahydro- 3H- pyrimido[5,4- a]pyrrolizine- 9- carbonitrile
Smiles: N#Cc1c2ncn(c(=O)c2c2n1CCC2)CC(=O)c1ccc(cc1)Br

STK526272
Synonyms: 2- tert- butyl- 6- [(E)- (hydroxyimino)methyl]phenol
Smiles: O/N=C/c1cccc(c1O)C(C)(C)C

STK833326
Synonyms: ethyl4- ({[(Z)- [(ethoxycarbonyl)imino](methoxy)methyl]carbamoyl}amino)benzoate
Smiles: CCOC(=O)/N=C(/NC(=O)Nc1ccc(cc1)C(=O)OCC)\OC

STK526275
Synonyms: 2- (tert- butylsulfanyl)- 6,7,8,9- tetrahydropyrido[1,2- a]benzimidazole
Smiles: CC(Sc1ccc2n(c1)c1CCCCc1n2)(C)C

STK833327
Synonyms: 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 3- methyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Clc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1C)CCCC3

STK526277
Synonyms: 2- amino- 4- (4- ethoxyphenyl)- 3- nitro- 4,6,7,8- tetrahydro- 5H- chromen- 5- one
Smiles: CCOc1ccc(cc1)C1C2=C(CCCC2=O)OC(=C1[N+](=O)[O-])N

STK526278
Synonyms: 3- (benzylamino)- 1- (diethylamino)- 7- ethyl- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: CCN(c1nc(NCc2ccccc2)c(c2c1CN(CC)CC2)C#N)CC

STK526283
Synonyms: 5- methyl- 1- phenyl- 2- (phenylsulfanyl)- 1H- pyrrole- 3- carbonitrile
Smiles: N#Cc1cc(n(c1Sc1ccccc1)c1ccccc1)C

STK526284
Synonyms: 2- [(2Z)- 2- {[(E)- (4- hydroxyphenyl)diazenyl](phenyl)methylidene}hydrazinyl]- 6- methylpyrimidin- 4(3H)- one
Smiles: Oc1ccc(cc1)/N=N/C(=N\Nc1nc(C)cc(=O)[nH]1)/c1ccccc1

STK526285
Synonyms: (2Z)- 2- hydroxy- 4- oxo- 4- phenyl- N- (pyridin- 2- yl)but- 2- enamide
Smiles: O=C(/C(=C/C(=O)c1ccccc1)/O)Nc1ccccn1

STK526286
Synonyms: {2- [(Z)- (1- hexyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]phenoxy}aceticacid
Smiles: CCCCCCN1C(=O)NC(=O)/C(=C/c2ccccc2OCC(=O)O)/C1=O

STK526288
Synonyms: N- (2- cyanoethyl)- 4- [(5Z)- 5- (4- ethylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N- phenylbutanamide
Smiles: N#CCCN(c1ccccc1)C(=O)CCCN1C(=S)S/C(=C\c2ccc(cc2)CC)/C1=O

STK833330
Synonyms: 4- chloro- 5- (4- ethoxybenzyl)- 6- hydrazinyl- 2- (methylsulfanyl)pyrimidine
Smiles: CCOc1ccc(cc1)Cc1c(Cl)nc(nc1NN)SC

STK526290
Synonyms: {(2E)- 4- oxo- 2- [(2Z)- {1- [4- (propan- 2- yloxy)phenyl]ethylidene}hydrazinylidene]- 1,3- thiazolidin- 5- yl}aceticacid
Smiles: CC(Oc1ccc(cc1)/C(=N\N=C/1\SC(C(=O)N1)CC(=O)O)/C)C

STK526291
Synonyms: N- {(1E)- 3- (tert- butylamino)- 3- oxo- 1- [4- (propan- 2- yloxy)phenyl]prop- 1- en- 2- yl}benzamide
Smiles: CC(Oc1ccc(cc1)/C=C(\C(=O)NC(C)(C)C)/NC(=O)c1ccccc1)C

STK526292
Synonyms: (2Z,4Z)- 3- methyl- 5- (pyridin- 3- yl)penta- 2,4- dienoicacid
Smiles: OC(=O)/C=C(\C=C/c1cccnc1)/C

STK526293
Synonyms: 3- [(6- methoxy- 2- methylquinolin- 4- yl)amino]naphthalene- 2- carboxylicacid
Smiles: COc1ccc2c(c1)c(cc(n2)C)Nc1cc2ccccc2cc1C(=O)O

STK526297
Synonyms: 2,2,6,6- tetramethyl- 4- phenylpiperidin- 4- ol
Smiles: OC1(CC(C)(C)NC(C1)(C)C)c1ccccc1

STK526298
Synonyms: (2Z)- 4- (4- chlorophenyl)- N'- (diphenylmethylidene)- 2- hydroxy- 4- oxobut- 2- enehydrazide
Smiles: Clc1ccc(cc1)C(=O)/C=C(/C(=O)N/N=C(/c1ccccc1)\c1ccccc1)\O

STK833337
Synonyms: (5- hydroxy- 1- benzofuran- 3- yl)(4- methylphenyl)methanone
Smiles: Cc1ccc(cc1)C(=O)c1coc2c1cc(O)cc2

STK526303
Synonyms: 2,2'- methanediylbis(4,6- di- tert- butylphenol)
Smiles: Oc1c(Cc2cc(cc(c2O)C(C)(C)C)C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C

STK526304
Synonyms: ({4- (dimethylamino)- 6- [methoxy(methyl)amino]- 1,3,5- triazin- 2- yl}oxy)acetonitrile
Smiles: N#CCOc1nc(nc(n1)N(OC)C)N(C)C

STK526305
Synonyms: (4R,4aS)- 2- amino- 4- (2- nitrophenyl)- 4a,5,6,7- tetrahydronaphthalene- 1,3,3(4H)- tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCCC2)c1ccccc1[N+](=O)[O-])(C#N)C#N

STK833339
Synonyms: 3- (4- ethoxyphenyl)pyrrolidine- 2,5- dione
Smiles: CCOc1ccc(cc1)C1CC(=O)NC1=O

STK526310
Synonyms: (2E)- 2- (1- phenylethylidene)hydrazinecarboximidamide
Smiles: C/C(=N\NC(=N)N)/c1ccccc1

STK526312
Synonyms: (2Z)- 2- cyano- 2- [2- (2- nitrophenyl)hydrazinylidene]ethanethioamide
Smiles: N#C/C(=N/Nc1ccccc1[N+](=O)[O-])/C(=S)N

STK526315
Synonyms: 2- [4- phenyl- 2- (propan- 2- yl)tetrahydro- 2H- pyran- 4- yl]ethanamine
Smiles: NCCC1(CCOC(C1)C(C)C)c1ccccc1

STK526316
Synonyms: 3- (1- oxido- 1,3- dithian- 2- yl)pyridine
Smiles: O=S1CCCSC1c1cccnc1

STK526317
Synonyms: S- (3,5- di- tert- butyl- 4- hydroxybenzyl)benzenecarbothioate
Smiles: O=C(c1ccccc1)SCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK526318
Synonyms: 3- [(2- aminoethyl)amino]- 1- phenyl- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: NCCNc1nc(c2ccccc2)c2c(c1C#N)CCCC2

STK526321
Synonyms: (8S,8aR)- 6- amino- 8- (3- methoxyphenyl)- 2- propyl- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: CCCN1CC=C2[C@H](C1)[C@@H](c1cccc(c1)OC)C(C(=C2C#N)N)(C#N)C#N

STK526324
Synonyms: 3- (4- chlorophenyl)- 2- ethyl- 2,3,5,6- tetrahydroimidazo[2,1- b][1,3]thiazol- 3- ol
Smiles: CCC1SC2=NCCN2C1(O)c1ccc(cc1)Cl

STK526326
Synonyms: 3- butyl- 2- hydrazinyl- 3,5,6,7,8,9- hexahydro- 4H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CCCCn1c(NN)nc2c(c1=O)c1CCCCCc1s2

STK526327
Synonyms: 4- nitrobenzylleucinate
Smiles: NC(C(=O)OCc1ccc(cc1)[N+](=O)[O-])CC(C)C

STK833351
Synonyms: 1- bromo- 3- (5,5- dimethyl- 3- phenyl- 4,5- dihydropyrazolo[4,3- a]carbazol- 10(3H)- yl)propan- 2- ol
Smiles: BrCC(Cn1c2ccccc2c2c1c1cnn(c1CC2(C)C)c1ccccc1)O

STK526333
Synonyms: 6- tert- butyl- 2- {[2- (4- methoxyphenyl)- 2- oxoethyl]sulfanyl}- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydroquinoline- 3- carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)OC)nc2c(c1c1cccs1)CC(CC2)C(C)(C)C

STK833353
Synonyms: [(2- methyl- 4- nitro- 1H- imidazol- 5- yl)sulfanyl]acetonitrile
Smiles: [O-][N+](=O)c1nc([nH]c1SCC#N)C

STK833356
Synonyms: N- [(6- methyl- 2- oxo- 4- phenyl- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: Cc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)CNS(=O)(=O)c1ccccc1

STK526338
Synonyms: 1- (ethylsulfanyl)- 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: CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CCC3

STK526339
Synonyms: 6,7- dichloro- 5- [(2- fluorophenyl)amino]tetrazolo[1,5- a]pyridine- 8- carbonitrile
Smiles: N#Cc1c(Cl)c(Cl)c(n2c1nnn2)Nc1ccccc1F

STK526341
Synonyms: butylN'- [(E)- (2- hydroxyphenyl)methylidene]carbamohydrazonothioate
Smiles: CCCCS/C(=N/N=C/c1ccccc1O)/N

STK526344
Synonyms: (4S,5R)- 3- cyano- 4- (3- methoxyphenyl)- 6- oxo- 5- (pyridinium- 1- yl)- 1,4,5,6- tetrahydropyridin- 2- olate
Smiles: N#CC1=C([O-])NC(=O)[C@@H]([C@H]1c1cccc(c1)OC)[n+]1ccccc1

STK526345
Synonyms: 1- benzyl- N- [3- (cyclopentyloxy)- 4- methoxyphenyl]piperidine- 3- carboxamide
Smiles: COc1ccc(cc1OC1CCCC1)NC(=O)C1CCCN(C1)Cc1ccccc1

STK526346
Synonyms: 2,10- dimethoxy- 1,4,8,11- tetrahydrodipyridazino[1,2- a:1',2'- d][1,2,4,5]tetrazine
Smiles: COC1=CCN2N(C1)CN1N(C2)CC=C(C1)OC

STK526347
Synonyms: 5- ethyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- ol
Smiles: CCc1nc2sc3c(c2c2c1CCCC2)ncnc3O

STK833359
Synonyms: N'- (6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl)furan- 2- carbohydrazide
Smiles: O=C(c1ccco1)NNc1ncnc2c1c1CC(C)(C)OCc1s2

STK526354
Synonyms: dipropan- 2- yl{2- amino- 2- oxo- 1- [(phenylcarbonyl)amino]ethyl}phosphonate
Smiles: CC(OP(=O)(C(C(=O)N)NC(=O)c1ccccc1)OC(C)C)C

STK526356
Synonyms: N'- [(1E)- 1- (4- methoxyphenyl)ethylidene]- 4,6- dimethylpyrimidine- 2- carbohydrazide
Smiles: COc1ccc(cc1)/C(=N/NC(=O)c1nc(C)cc(n1)C)/C

STK526357
Synonyms: N,N- dimethyl- N'- [5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]propane- 1,3- diamine
Smiles: CN(CCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)C

STK526358
Synonyms: (3Z)- 3- ({[2- (diethylamino)ethyl]amino}methylidene)- 1,3- dihydro- 2H- indol- 2- one
Smiles: CCN(CCN/C=C/1\C(=O)Nc2c1cccc2)CC

STK833364
Synonyms: 6- fluoro- 9- methyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- one
Smiles: Fc1ccc2c(c1)c1CCCC(=O)c1n2C

STK526366
Synonyms: 3- chloro- 1- [(2- hydroxyethyl)amino]- 7- methyl- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: OCCNc1nc(Cl)c(c2c1CN(C)CC2)C#N

STK526368
Synonyms: 1- {5,5- dimethyl- 3- [(naphthalen- 1- ylcarbamoyl)amino]- 2- thioxo- 1,3- thiazolidin- 4- yl}- 1- hydroxy- 3- (4- methylphenyl)urea(non- preferredname)
Smiles: O=C(Nc1cccc2c1cccc2)NN1C(=S)SC(C1N(C(=O)Nc1ccc(cc1)C)O)(C)C

STK833366
Synonyms: N,N- diethyl- 5H- dibenzo[b,f]azepine- 5- carboxamide
Smiles: CCN(C(=O)N1c2ccccc2C=Cc2c1cccc2)CC

STK833368
Synonyms: 7- methyl- 3- phenyl- 2,3,3a,4,5,10- hexahydropyrazolo[3,4- a]carbazole
Smiles: Cc1ccc2c(c1)c1CCC3C(=NNC3c3ccccc3)c1[nH]2

STK526374
Synonyms: 2,6- di- tert- butyl- 4- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)phenol
Smiles: CC(c1cc(cc(c1O)C(C)(C)C)C12CC3CC(C2)CC(C1)C3)(C)C

STK833370
Synonyms: N~1~- [(E)- (3- nitrophenyl)methylidene]- 4- phenyl- 1H- imidazole- 1,2- diamine
Smiles: [O-][N+](=O)c1cccc(c1)/C=N/n1cc(nc1N)c1ccccc1

STK526379
Synonyms: 1- (2- chlorobenzyl)- 8- [(1- hydroxypropan- 2- yl)amino]- 3,7- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCC(Nc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1Cl)C

STK526383
Synonyms: 3- ({6- [(5E)- 5- (3- {6- [(3- carboxyphenyl)amino]- 6- oxohexyl}- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]hexanoyl}amino)benzoicacid
Smiles: O=C(Nc1cccc(c1)C(=O)O)CCCCCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCCCCC(=O)Nc2cccc(c2)C(=O)O)/C1=O

STK833375
Synonyms: 3- [(2Z)- 2- hydrazinylidene- 3,3- dimethylbutyl]quinoxalin- 2(1H)- one
Smiles: N/N=C(\C(C)(C)C)/Cc1nc2ccccc2[nH]c1=O

STK526387
Synonyms: 4- benzyl- 1- [(2- phenoxyethyl)sulfanyl]- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: O=c1n(Cc2ccccc2)c2nnc(n2c2c1C1(CCCCC1)Cc1c2cccc1)SCCOc1ccccc1

STK526390
Synonyms: 8- aminoquinoline- 2- carboxylicacid
Smiles: OC(=O)c1ccc2c(n1)c(N)ccc2

STK526391
Synonyms: 6- {(Z)- [3- (4- fluorophenyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 2,3- dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)F

STK526394
Synonyms: 2- amino- 4- (2,4- difluorophenyl)- 6- methyl- 4a,5,6,7- tetrahydronaphthalene- 1,3,3(4H)- tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCC(C2)C)c1ccc(cc1F)F)(C#N)C#N

STK833377
Synonyms: 10- methoxy- 10,11- dihydro- 5H- dibenzo[b,f]azepine- 5- carboxamide
Smiles: COC1Cc2ccccc2N(c2c1cccc2)C(=O)N

STK526396
Synonyms: 4- [(2,5- dioxopyrrolidin- 1- yl)amino]- 4- oxobutanoicacid
Smiles: O=C(NN1C(=O)CCC1=O)CCC(=O)O

STK833379
Synonyms: 6'- amino- 2'- benzyl- 2- oxo- 1,1',2,2',3',8a'- hexahydro- 7'H- spiro[indole- 3,8'- isoquinoline]- 5',7',7'- tricarbonitrile
Smiles: N#CC1=C(N)C(C2(C3C1=CCN(C3)Cc1ccccc1)C(=O)Nc1c2cccc1)(C#N)C#N

STK526400
Synonyms: 4b- phenyl- 4b,5- dihydro- 11H- isoindolo[2,1- a]benzimidazol- 11- one
Smiles: O=C1c2ccccc2C2(N1c1ccccc1N2)c1ccccc1

STK833382
Synonyms: prop- 2- en- 1- yl(2Z)- 3- (naphthalen- 1- yl)- 2- [(phenylcarbonyl)amino]prop- 2- enoate
Smiles: C=CCOC(=O)/C(=C/c1cccc2c1cccc2)/NC(=O)c1ccccc1

STK526402
Synonyms: 5- (tert- butylsulfonyl)thiophene- 2- carboxylicacid
Smiles: OC(=O)c1ccc(s1)S(=O)(=O)C(C)(C)C

STK526403
Synonyms: 3- (1,3- oxazol- 5- yl)pyridine
Smiles: c1ccc(cn1)c1cnco1

STK526404
Synonyms: 2,2- dimethyl- 5,8- di(morpholin- 4- yl)- 1,4- dihydro- 2H- thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d][1,2,3]triazine
Smiles: CC1(C)SCc2c(C1)c1c(nc2N2CCOCC2)sc2c1nnnc2N1CCOCC1

STK526412
Synonyms: methoxy(diphenyl)aceticacid
Smiles: COC(c1ccccc1)(c1ccccc1)C(=O)O

STK526415
Synonyms: 2,2- dimethyltetrahydro- 2H- pyran- 4- carbothioamide
Smiles: NC(=S)C1CCOC(C1)(C)C

STK526419
Synonyms: N,N'- pyridine- 2,6- diyldipyridine- 3- carboximidamide
Smiles: N=C(c1cccnc1)Nc1cccc(n1)NC(=N)c1cccnc1

STK526420
Synonyms: 3- (cycloheptylcarbamoyl)- 1,2,2- trimethylcyclopentanecarboxylicacid
Smiles: O=C(C1CCC(C1(C)C)(C)C(=O)O)NC1CCCCCC1

STK833390
Synonyms: methyl1H- indole- 7- carboxylate
Smiles: COC(=O)c1cccc2c1[nH]cc2

STK833391
Synonyms: 3- {(2Z)- 2- [(acetyloxy)imino]propyl}- 1- methyl- 2- oxo- 2,3- dihydro- 1H- indol- 3- ylacetate
Smiles: CC(=O)OC1(C/C(=N\OC(=O)C)/C)c2ccccc2N(C1=O)C

STK526426
Synonyms: 4- butyl- 7,8,9,10- tetrahydro- 6H- cyclohepta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCCCn1c(=O)c2c3CCCCCc3sc2n2c1nnc2

STK526427
Synonyms: 3,3,8- trimethyl- 6- (morpholin- 4- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)OC2)C)N1CCOCC1

STK833392
Synonyms: 1- (5- hydroxy- 2- methyl- 6,8- diphenyl- 6H- furo[2,3- e]indazol- 3- yl)ethanone
Smiles: CC(=O)c1c(C)oc2c1cc(O)c1c2c(nn1c1ccccc1)c1ccccc1

STK526432
Synonyms: 3,3- dimethyl- 6- [(2- methylpropyl)sulfanyl]- 8- (morpholin- 4- yl)- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(SCC(C)C)nc(c2c1CC(C)(C)SC2)N1CCOCC1

STK526434
Synonyms: [5- (4- ethoxybenzyl)- 1H- tetrazol- 1- yl]aceticacid
Smiles: CCOc1ccc(cc1)Cc1nnnn1CC(=O)O

STK526435
Synonyms: {2- [(E)- 2- (dimethylamino)ethenyl]- 5- methoxy- 1- benzofuran- 3- yl}(phenyl)methanone
Smiles: COc1ccc2c(c1)c(c(o2)/C=C/N(C)C)C(=O)c1ccccc1

STK526436
Synonyms: 3- cyclohexyl- 2- (ethylsulfanyl)- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C3)C

STK526439
Synonyms: 3- chloro- 7- ethyl- 1- [(2- hydroxyethyl)amino]- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: OCCNc1nc(Cl)c(c2c1CN(CC)CC2)C#N

STK833398
Synonyms: ethyl3- cyano- 2- oxo- 3- [4- (propan- 2- yloxy)phenyl]propanoate
Smiles: CCOC(=O)C(=O)C(c1ccc(cc1)OC(C)C)C#N

STK526447
Synonyms: 8- bromo- 9H- purin- 6- ol
Smiles: Brc1nc2c([nH]1)ncnc2O

STK526448
Synonyms: {[7- tert- butyl- 3- (4- methylphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}aceticacid
Smiles: OC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCC(C3)C(C)(C)C

STK526449
Synonyms: 3- amino- 2,6,6,7- tetramethyl- 1- thioxo- 1,2,5,6,7,8- hexahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: N#Cc1c2CC(C)(C)N(Cc2c(=S)n(c1N)C)C

STK526452
Synonyms: benzyl3- amino- 6- (4- fluorophenyl)- 4- phenylthieno[2,3- b]pyridine- 2- carboxylate
Smiles: Fc1ccc(cc1)c1nc2sc(c(c2c(c1)c1ccccc1)N)C(=O)OCc1ccccc1

STK833400
Synonyms: N- [1- (1H- indol- 3- yl)propan- 2- yl]- 2,2- diphenylacetamide
Smiles: CC(Cc1c[nH]c2c1cccc2)NC(=O)C(c1ccccc1)c1ccccc1

STK526453
Synonyms: 5- [1- amino- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinolin- 2- yl]- N- methylfuran- 2- carboxamide
Smiles: CNC(=O)c1ccc(o1)c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1

STK526461
Synonyms: {2,2,6,6- tetramethyl- 3- [(4- nitrosopiperazin- 1- yl)methyl]- 4- oxopiperidin- 1- yl}oxidanyl
Smiles: O=NN1CCN(CC1)CC1C(=O)CC(N(C1(C)C)[O])(C)C

STK526468
Synonyms: 3- (4- methoxyphenyl)- 2- [(E)- (5- methyl- 2- oxo- 1- propyl- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]quinazolin- 4(3H)- one
Smiles: CCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2c2ccc(cc2)OC)/c2c1ccc(c2)C

STK526469
Synonyms: N- [(E)- (4- fluorophenyl)methylidene]- 6- methyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- amine
Smiles: Fc1ccc(cc1)/C=N/C1CCCc2c1[nH]c1c2cc(cc1)C

STK526471
Synonyms: 1- (3- chlorophenyl)- 6- hydroxy- 3,4,4,6- tetramethyltetrahydropyrimidin- 2(1H)- one
Smiles: Clc1cccc(c1)N1C(=O)N(C)C(CC1(C)O)(C)C

STK526475
Synonyms: methyl3,4,5- trimethoxy- 2- nitrobenzoate
Smiles: COC(=O)c1cc(OC)c(c(c1[N+](=O)[O-])OC)OC

STK833413
Synonyms: 6- (4- chlorophenyl)- 1,2- dihydropyridazine- 3,4- dione
Smiles: Clc1ccc(cc1)c1[nH][nH]c(=O)c(=O)c1

STK526477
Synonyms: 2,2,2- trifluoro- 1- (pentafluorophenyl)- 1- (quinolin- 3- yl)ethanol
Smiles: Fc1c(F)c(F)c(c(c1C(C(F)(F)F)(c1cnc2c(c1)cccc2)O)F)F

STK833419
Synonyms: N- [3- (butan- 2- yloxy)quinoxalin- 2- yl]benzenesulfonamide
Smiles: CCC(Oc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1)C

STK526484
Synonyms: 2- amino- 4- (2,3- difluorophenyl)- 7- methyl- 5- oxo- 4H,5H- pyrano[4,3- b]pyran- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1F)F)c(=O)oc(c2)C

STK526486
Synonyms: {[3- (phenylcarbonyl)- 1- benzofuran- 5- yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)c(co2)C(=O)c1ccccc1

STK526487
Synonyms: 4- (4- ethylpiperazin- 1- yl)- N- (4- methoxyphenyl)- 3- nitrobenzamide
Smiles: CCN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(cc1)OC

STK526488
Synonyms: 3- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- (9H- fluoren- 9- ylidene)propanehydrazide
Smiles: O=C(CCn1nc(cc1C)C)N/N=C/1\c2ccccc2c2c1cccc2

STK526492
Synonyms: 3- (methylsulfanyl)- 4- oxo- 4,5,6,7- tetrahydro- 2- benzothiophene- 1- carboxylicacid
Smiles: CSc1sc(c2c1C(=O)CCC2)C(=O)O

STK526494
Synonyms: 3,6- bis(4- chlorophenyl)- 7- methyl- 2H- [1,3]thiazolo[2,3- c][1,2,4]triazine
Smiles: Clc1ccc(cc1)c1[nH]nc2n(c1)c(c1ccc(cc1)Cl)c(s2)C

STK833423
Synonyms: N,N'- butane- 1,4- diylbis(5- bromopyridine- 3- carboxamide)
Smiles: Brc1cncc(c1)C(=O)NCCCCNC(=O)c1cncc(c1)Br

STK526504
Synonyms: 8- benzyl- 3,3- dimethyl- 6- (4- pentanoylpiperazin- 1- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCCC(=O)N1CCN(CC1)c1nc(Cc2ccccc2)c2c(c1C#N)CC(OC2)(C)C

STK526510
Synonyms: (3- hydroxy- 2,2,5,5- tetramethylpyrrolidin- 1- yl)oxidanyl
Smiles: OC1CC(N(C1(C)C)[O])(C)C

STK526513
Synonyms: ethyl{[(2,4- dichlorophenyl)carbonyl]amino}(diethoxyphosphoryl)acetate
Smiles: CCOC(=O)C(P(=O)(OCC)OCC)NC(=O)c1ccc(cc1Cl)Cl

STK526514
Synonyms: 5- butyl- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8(9H)- one
Smiles: CCCCc1nc2sc3c(c2c2c1COC(C2)(C)C)nc[nH]c3=O

STK526516
Synonyms: 2- (prop- 2- yn- 1- yl)- 2- azaspiro[5.5]undecane
Smiles: C#CCN1CCCC2(C1)CCCCC2

STK526518
Synonyms: ethyl3- cyano- 3- (4- ethoxyphenyl)- 2- oxopropanoate
Smiles: CCOc1ccc(cc1)C(C(=O)C(=O)OCC)C#N

STK833432
Synonyms: 3- [hydroxy(phenyl)methyl]- 4- (morpholin- 4- ylmethyl)- 1- benzofuran- 5- ol
Smiles: Oc1ccc2c(c1CN1CCOCC1)c(co2)C(c1ccccc1)O

STK526526
Synonyms: 5- ethenyl- 1H- tetrazole
Smiles: C=Cc1nnn[nH]1

STK526529
Synonyms: N,N'- bis[(4- methylphenyl)sulfonyl]- 1,4,10,13- tetraoxa- 7,16- diazacyclooctadecane- 7,16- dicarbothioamide
Smiles: S=C(N1CCOCCOCCN(CCOCCOCC1)C(=S)NS(=O)(=O)c1ccc(cc1)C)NS(=O)(=O)c1ccc(cc1)C

STK526530
Synonyms: (3Z)- 3- [(2- cyclohexylidenehydrazinyl)methylidene]- 1- ethyl- 5- (6- oxo- 1,4,5,6- tetrahydropyridazin- 3- yl)- 1,3- dihydro- 2H- indol- 2- one
Smiles: CCN1C(=O)/C(=C\NN=C2CCCCC2)/c2c1ccc(c2)C1=NNC(=O)CC1

STK526532
Synonyms: 4,4- dimethyl- 1- (piperidin- 1- yl)pentan- 3- one
Smiles: O=C(C(C)(C)C)CCN1CCCCC1

STK833435
Synonyms: (5- hydroxy- 2- methylnaphtho[1,2- b]furan- 3- yl)(phenyl)methanone
Smiles: Cc1oc2c(c1C(=O)c1ccccc1)cc(c1c2cccc1)O

STK833436
Synonyms: 6- amino- 3- methyl- 1- (4- methylphenyl)- 4- (thiophen- 2- yl)- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccs1)c(C)nn2c1ccc(cc1)C

STK526539
Synonyms: {[3- (thiophen- 2- ylcarbonyl)- 1- benzofuran- 5- yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)c(co2)C(=O)c1cccs1

STK526541
Synonyms: 1,2,5- oxadiazole- 3,4- diyldimethanol
Smiles: OCc1nonc1CO

STK526549
Synonyms: 7- ethyl- 1- (morpholin- 4- yl)- 3- (piperidin- 1- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: CCN1CCc2c(C1)c(nc(c2C#N)N1CCCCC1)N1CCOCC1

STK526552
Synonyms: N- [(5- bromopyridin- 3- yl)carbonyl]glutamicacid
Smiles: OC(=O)CCC(C(=O)O)NC(=O)c1cncc(c1)Br

STK526553
Synonyms: 1- (ethylsulfanyl)- 4- (4- methoxybenzyl)- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccc(cc1)OC)CCCCC3

STK833440
Synonyms: N- methyl- 5H- dibenzo[b,f]azepine- 5- carboxamide
Smiles: CNC(=O)N1c2ccccc2C=Cc2c1cccc2

STK526558
Synonyms: N- cyclohexyl- 5- ethyl- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3NC1CCCCC1

STK833441
Synonyms: (5Z)- 3- [4- (3,4- dihydroquinolin- 1(2H)- yl)- 4- oxobutyl]- 5- (4- ethylbenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)N1CCCc2c1cccc2

STK526559
Synonyms: 3- (diethylamino)propyl2- hydroxy- 4- methoxybenzoate
Smiles: CCN(CCCOC(=O)c1ccc(cc1O)OC)CC

STK833443
Synonyms: 3,3- dimethyl- 8- (morpholin- 4- yl)- 6- [(2- phenoxyethyl)sulfanyl]- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(SCCOc2ccccc2)nc(c2c1CC(C)(C)OC2)N1CCOCC1

STK526560
Synonyms: 2,6- di- tert- butyl- 4- (2- iodoethyl)phenol
Smiles: ICCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK526562
Synonyms: 2,2'- (2- carbamothioylhydrazine- 1,1- diyl)diaceticacid
Smiles: OC(=O)CN(NC(=S)N)CC(=O)O

STK526563
Synonyms: 4- azido- 2,5- dichloro- 6- [(4- methylphenyl)amino]pyridine- 3- carbonitrile
Smiles: [N-]=[N+]=Nc1c(Cl)c(Nc2ccc(cc2)C)nc(c1C#N)Cl

STK526569
Synonyms: 5- hydroxy- 2- methyl- 1- phenyl- 1H- indole- 3- carboxylicacid
Smiles: Oc1ccc2c(c1)c(C(=O)O)c(n2c1ccccc1)C

STK526574
Synonyms: manganese(2+)hydroxide[(pyrazin- 2- ylcarbonyl)amino]oxidanide
Smiles: O[Mn]ONC(=O)c1cnccn1

STK833450
Synonyms: N- [(1Z)- 3- oxo- 3- [2- (phenylcarbonyl)hydrazinyl]- 1- (pyridin- 3- yl)prop- 1- en- 2- yl]benzamide
Smiles: O=C(/C(=C/c1cccnc1)/NC(=O)c1ccccc1)NNC(=O)c1ccccc1

STK833452
Synonyms: methyl1- cyano- 2- {[(E)- (dimethylamino)methylidene]amino}- 5,6,7,8- tetrahydroindolizine- 3- carboxylate
Smiles: COC(=O)c1n2CCCCc2c(c1/N=C/N(C)C)C#N

STK526580
Synonyms: 3- (benzylamino)- 7- ethyl- 1- (morpholin- 4- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: CCN1CCc2c(C1)c(nc(c2C#N)NCc1ccccc1)N1CCOCC1

STK833454
Synonyms: diethyl[(1E)- 2- amino- N- {[(2- methylphenyl)carbonyl]oxy}- 2- oxoethanimidoyl]phosphonate
Smiles: CCOP(=O)(/C(=N/OC(=O)c1ccccc1C)/C(=O)N)OCC

STK526581
Synonyms: methylselenopheno[3,2- b]thiophene- 5- carboxylate
Smiles: COC(=O)c1cc2c([se]1)ccs2

STK526585
Synonyms:
Smiles: OC(=O)COc1ccc2c(c1Cl)nsn2

STK526588
Synonyms: N- {4- [(5- ethyl- 1,3,4- thiadiazol- 2- yl)sulfamoyl]phenyl}benzamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1

STK526589
Synonyms: 1- (benzylcarbamothioyl)- 5- hydroxyproline
Smiles: OC1CCC(N1C(=S)NCc1ccccc1)C(=O)O

STK526591
Synonyms: 1- [(2- phenoxyethyl)sulfanyl]- 4- phenyl- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 5(7H)- one
Smiles: O=c1n(c2ccccc2)c2nnc(n2c2c1C1(CCCCC1)Cc1c2cccc1)SCCOc1ccccc1

STK526592
Synonyms: methyl{6- methyl- 1- [(1- phenylethyl)amino]- 1,2,3,4- tetrahydro- 9H- carbazol- 9- yl}acetate
Smiles: COC(=O)Cn1c2C(CCCc2c2c1ccc(c2)C)NC(c1ccccc1)C

STK833459
Synonyms: 3,3'- [(4,5- dimethyl- 1,3- thiazol- 2- yl)imino]dipropanamide(non- preferredname)
Smiles: NC(=O)CCN(c1sc(c(n1)C)C)CCC(=O)N

STK526595
Synonyms: 5- methyl- 1- (4- methylphenyl)- 7- phenyl- 1H- imidazo[4,5- b]pyridine- 6- carboxylicacid
Smiles: Cc1ccc(cc1)n1cnc2c1c(c1ccccc1)c(c(n2)C)C(=O)O

STK833463
Synonyms: (4- fluorophenyl)(5- hydroxy- 2- methyl- 1- benzofuran- 3- yl)methanone
Smiles: Fc1ccc(cc1)C(=O)c1c(C)oc2c1cc(O)cc2

STK526599
Synonyms: 4- oxo- 7- (trifluoromethyl)- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: OC(=O)c1c[nH]c2c(c1=O)ccc(c2)C(F)(F)F

STK833466
Synonyms: ethyl(3- oxo- 2,3- dihydro- 1H- isoindol- 1- yl)acetate
Smiles: CCOC(=O)CC1NC(=O)c2c1cccc2

STK526600
Synonyms: 4,4'- [(1,3- dioxopropane- 1,3- diyl)diimino]dibenzoicacid
Smiles: O=C(Nc1ccc(cc1)C(=O)O)CC(=O)Nc1ccc(cc1)C(=O)O

STK833467
Synonyms: N- ethyl- 5'- methyl- 2'- oxospiro[1,3- dioxolane- 2,3'- indole]- 1'(2'H)- carboxamide
Smiles: CCNC(=O)N1c2ccc(cc2C2(C1=O)OCCO2)C

STK833469
Synonyms: N- (4- methylphenyl)- 2'- oxospiro[1,3- dioxolane- 2,3'- indole]- 1'(2'H)- carboxamide
Smiles: Cc1ccc(cc1)NC(=O)N1c2ccccc2C2(C1=O)OCCO2

STK833470
Synonyms: N- acetyl- N- (4- phenyl- 1- {[(E)- phenylmethylidene]amino}- 1H- imidazol- 2- yl)acetamide
Smiles: CC(=O)N(c1nc(cn1/N=C/c1ccccc1)c1ccccc1)C(=O)C

STK833471
Synonyms: 2- ({(E)- [4- (dimethylamino)phenyl]methylidene}amino)phenol
Smiles: Oc1ccccc1/N=C/c1ccc(cc1)N(C)C

STK526607
Synonyms: (2E)- 2- [1- (4- butoxyphenyl)ethylidene]hydrazinecarbothioamide
Smiles: CCCCOc1ccc(cc1)/C(=N/NC(=S)N)/C

STK526609
Synonyms: 8- [(4- chloro- 2,3,5,6- tetrafluorophenyl)sulfanyl]quinoline
Smiles: Fc1c(Sc2cccc3c2nccc3)c(F)c(c(c1F)Cl)F

STK526610
Synonyms: methyl5- hydroxypyridine- 3- carboxylate
Smiles: COC(=O)c1cncc(c1)O

STK526611
Synonyms: N,N'- bis[3- (trifluoromethyl)phenyl]- 1,4,10,13- tetraoxa- 7,16- diazacyclooctadecane- 7,16- dicarboxamide
Smiles: O=C(N1CCOCCOCCN(CCOCCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F)Nc1cccc(c1)C(F)(F)F

STK526612
Synonyms: 7- benzyl- 1- {[2- (3,4- dimethoxyphenyl)ethyl]amino}- 3- (piperidin- 1- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: N#Cc1c(nc(c2c1CCN(C2)Cc1ccccc1)NCCc1ccc(c(c1)OC)OC)N1CCCCC1

STK526613
Synonyms: N- {(E)- [4- (octyloxy)phenyl]methylidene}naphthalen- 1- amine
Smiles: CCCCCCCCOc1ccc(cc1)/C=N/c1cccc2c1cccc2

STK526620
Synonyms: {[(5- oxo- 1- phenyl- 2- thioxoimidazolidin- 4- yl)methyl]sulfanyl}aceticacid
Smiles: OC(=O)CSCC1NC(=S)N(C1=O)c1ccccc1

STK833480
Synonyms: 3- acetyl- 1- (4- methoxyphenyl)- 4,6- dimethylpyridin- 2(1H)- one
Smiles: COc1ccc(cc1)n1c(C)cc(c(c1=O)C(=O)C)C

STK526630
Synonyms: N- (4- fluorobenzyl)- 6- methyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- amine
Smiles: Fc1ccc(cc1)CNC1CCCc2c1[nH]c1c2cc(cc1)C

STK526631
Synonyms: 6- phenyl- N- (2- phenylethyl)- 2,3,4,9- tetrahydro- 1H- carbazol- 1- amine
Smiles: c1ccc(cc1)CCNC1CCCc2c1[nH]c1c2cc(cc1)c1ccccc1

STK833485
Synonyms: 10- ethoxy- 10,11- dihydro- 5H- dibenzo[b,f]azepine- 5- carboxamide
Smiles: CCOC1Cc2ccccc2N(c2c1cccc2)C(=O)N

STK526632
Synonyms: 2,6- dimethyl- 5- (prop- 2- en- 1- yl)pyrimidin- 4- amine
Smiles: C=CCc1c(C)nc(nc1N)C

STK526634
Synonyms: 4- (9H- thioxanthen- 9- yl)aniline
Smiles: Nc1ccc(cc1)C1c2ccccc2Sc2c1cccc2

STK833487
Synonyms: methyl[5- (4- oxo- 3,4- dihydrophthalazin- 1- yl)- 1H- benzimidazol- 2- yl]carbamate
Smiles: COC(=O)Nc1[nH]c2c(n1)cc(cc2)c1n[nH]c(=O)c2c1cccc2

STK526635
Synonyms: 4- {[(E)- furan- 2- ylmethylidene]amino}- N- (3- methoxypyrazin- 2- yl)benzenesulfonamide
Smiles: COc1nccnc1NS(=O)(=O)c1ccc(cc1)/N=C/c1ccco1

STK526637
Synonyms: 3- amino- N- (4- methoxyphenyl)- 3- thioxopropanamide
Smiles: COc1ccc(cc1)NC(=O)CC(=S)N

STK526639
Synonyms: N- (pyridin- 3- yl)quinoline- 2- carboximidamide
Smiles: N=C(c1ccc2c(n1)cccc2)Nc1cccnc1

STK526640
Synonyms: 2- (dibenzylamino)- 4- (dimethylamino)pyridine- 3- carbonitrile
Smiles: N#Cc1c(nccc1N(C)C)N(Cc1ccccc1)Cc1ccccc1

STK833488
Synonyms: ethyl{5- [3- (morpholin- 4- yl)propanoyl]- 10,11- dihydro- 5H- dibenzo[b,f]azepin- 3- yl}carbamate
Smiles: CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1CC2

STK526646
Synonyms: 7- [(E)- (3- nitrophenyl)(propan- 2- ylidenehydrazinylidene)methyl]- 1,3,5- triazatricyclo[3.3.1.1~3,7~]decane
Smiles: CC(=N/N=C(/C12CN3CN(C2)CN(C1)C3)\c1cccc(c1)[N+](=O)[O-])C

STK526648
Synonyms: 4- amino- 4- oxo- 3- [4- (pentyloxy)phenyl]butanoicacid
Smiles: CCCCCOc1ccc(cc1)C(C(=O)N)CC(=O)O

STK526649
Synonyms: 3- {[2- (diethylamino)ethyl]amino}- 1- ethyl- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: CCN(CCNc1nc(CC)c2c(c1C#N)CCCC2)CC

STK526650
Synonyms: 1- {4- [(1S,2S)- 2- phenylcyclopropyl]phenyl}propan- 1- one
Smiles: CCC(=O)c1ccc(cc1)[C@H]1C[C@@H]1c1ccccc1

STK833493
Synonyms: (3Z)- 3- [2- (4- chlorophenyl)- 2- oxoethylidene]piperazin- 2- one
Smiles: O=C(c1ccc(cc1)Cl)/C=C/1\NCCNC1=O

STK526652
Synonyms: 7- bromo- N- (3- nitrobenzyl)- 2,3- dihydro- 1,4- benzodioxin- 6- amine
Smiles: Brc1cc2OCCOc2cc1NCc1cccc(c1)[N+](=O)[O-]

STK526653
Synonyms: N- {(2E)- 3- (2- fluorophenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}valine
Smiles: CC(C(C(=O)O)NC(=O)/C(=C\c1ccccc1F)/NC(=O)c1ccccc1)C

STK526654
Synonyms: 1,2- dimethyl- 1H- benzimidazol- 5- ol
Smiles: Oc1ccc2c(c1)nc(n2C)C

STK833494
Synonyms: N- (4- chlorophenyl)- 2- hydroxy- 9H- carbazole- 3- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1cc2c(cc1O)[nH]c1c2cccc1

STK526655
Synonyms: 4- [(E)- (9H- carbazol- 9- ylimino)methyl]benzaldehyde
Smiles: O=Cc1ccc(cc1)/C=N/n1c2ccccc2c2c1cccc2

STK526657
Synonyms: 2- [1- (benzylamino)ethylidene]cyclohexane- 1,3- dione
Smiles: CC(=C1C(=O)CCCC1=O)NCc1ccccc1

STK526662
Synonyms: bis[2- (dimethylamino)ethyl]decanedioate
Smiles: CN(CCOC(=O)CCCCCCCCC(=O)OCCN(C)C)C

STK526666
Synonyms: (2E)- 2- [(11,11- dioxido- 3H- [1,4]benzoxathiino[3,2- e]indol- 1- yl)methylidene]hydrazinecarboxamide
Smiles: NC(=O)N/N=C/c1c[nH]c2c1c1c(cc2)Oc2c(S1(=O)=O)cccc2

STK526668
Synonyms: ethyl4- [2- hydroxy- 3- (propan- 2- ylamino)propoxy]- 3- methyl- 1- benzofuran- 2- carboxylate
Smiles: CCOC(=O)c1oc2c(c1C)c(OCC(CNC(C)C)O)ccc2

STK833497
Synonyms: diethyl(2- amino- 1- {[(4- chlorophenyl)carbamoyl]amino}- 2- oxoethyl)phosphonate
Smiles: CCOP(=O)(C(C(=O)N)NC(=O)Nc1ccc(cc1)Cl)OCC

STK526670
Synonyms: N,N- dibenzyl- 2- chloroethanamine
Smiles: ClCCN(Cc1ccccc1)Cc1ccccc1

STK526682
Synonyms: N- hydroxy- 4- nitrobenzenecarboximidoylchloride
Smiles: O/N=C(/c1ccc(cc1)[N+](=O)[O-])\Cl

STK833500
Synonyms: 8- bromo- 7- ethyl- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C

STK833501
Synonyms: 6- (4- ethoxyphenyl)- 4,5- dihydropyridazin- 3(2H)- one
Smiles: CCOc1ccc(cc1)C1=NNC(=O)CC1

STK833504
Synonyms: 3- (pyridin- 4- yl)- 6,7,8,9- tetrahydro- 5H- [1,2,4]triazolo[4,3- a]azepine
Smiles: n1ccc(cc1)c1nnc2n1CCCCC2

STK833505
Synonyms: 3- (thiophen- 2- ylcarbonyl)naphtho[1,2- b]furan- 4,5- dione
Smiles: O=C(c1coc2c1C(=O)C(=O)c1c2cccc1)c1cccs1

STK526696
Synonyms: 3- methyl- 4- phenyl- 1,3- thiazol- 2(3H)- imine
Smiles: Cn1c(=N)scc1c1ccccc1

STK526699
Synonyms: 2- ({[4,6- bis(dimethylamino)- 1,3,5- triazin- 2- yl]amino}methyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: CN(c1nc(NCN2C(=O)c3c(C2=O)cccc3)nc(n1)N(C)C)C

STK526701
Synonyms: (E)- N- hydroxy- 1- (quinolin- 2- yl)methanimine
Smiles: O/N=C/c1ccc2c(n1)cccc2

STK833509
Synonyms: 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 3- phenyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Clc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCC3

STK526703
Synonyms: 2- (4- nitrophenyl)- 2- oxoethyl(2E)- 2- (acetylamino)- 3- (1,3- benzodioxol- 5- yl)prop- 2- enoate
Smiles: CC(=O)N/C(=C/c1ccc2c(c1)OCO2)/C(=O)OCC(=O)c1ccc(cc1)[N+](=O)[O-]

STK526708
Synonyms: N'- (butan- 2- yl)- N'- [4- (tert- butylamino)- 6- chloro- 1,3,5- triazin- 2- yl]acetohydrazide
Smiles: CCC(N(c1nc(nc(n1)Cl)NC(C)(C)C)NC(=O)C)C

STK526711
Synonyms: 5- (4- ethoxybenzyl)- 6- (ethoxymethyl)- 2- sulfanylpyrimidin- 4- ol
Smiles: CCOCc1nc(S)nc(c1Cc1ccc(cc1)OCC)O

STK526713
Synonyms: 8- (furan- 2- yl)- 3,3- dimethyl- 6- (4- propanoylpiperazin- 1- yl)- 3,4- dihydro- 1H- thiopyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCC(=O)N1CCN(CC1)c1nc(c2ccco2)c2c(c1C#N)CC(SC2)(C)C

STK526714
Synonyms: N- (1- butyl- 3- cyano- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl)acetamide
Smiles: CCCCn1c2nc3ccccc3nc2c(c1NC(=O)C)C#N

STK526715
Synonyms: (2E)- 2- {2- [(4,6- dimethylpyrimidin- 2- yl)sulfanyl]- 1- phenylethylidene}hydrazinecarboxamide
Smiles: NC(=O)N/N=C(\c1ccccc1)/CSc1nc(C)cc(n1)C

STK526718
Synonyms: 6- methyl- N- (3- methylphenyl)- 4- (trifluoromethyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1cc2c(s1)nc(cc2C(F)(F)F)C

STK526719
Synonyms: 7- benzyl- 2- (benzylsulfanyl)- 3- (prop- 2- en- 1- yl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: C=CCn1c(SCc2ccccc2)nc2c(c1=O)c1CCN(Cc1s2)Cc1ccccc1

STK526722
Synonyms: 1,2,3,6,7,8,9,10- octahydro- 11H- cyclohepta[4,5]thieno[2,3- d]pyrrolo[1,2- a]pyrimidin- 11- imine
Smiles: N=c1n2CCCc2nc2c1c1CCCCCc1s2

STK833519
Synonyms: ethyl{[5- cyano- 3,3- dimethyl- 8- (pyrrolidin- 1- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridin- 6- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc(N2CCCC2)c2c(c1C#N)CC(OC2)(C)C

STK526733
Synonyms: 4- (bromoacetyl)- 4- (ethoxycarbonyl)- 7- methyloctanoicacid
Smiles: CCOC(=O)C(C(=O)CBr)(CCC(=O)O)CCC(C)C

STK526734
Synonyms: 6- methyl- N- (tricyclo[3.3.1.1~3,7~]dec- 1- ylmethyl)- 2,3,4,9- tetrahydro- 1H- carbazol- 1- amine
Smiles: Cc1ccc2c(c1)c1CCCC(c1[nH]2)NCC12CC3CC(C2)CC(C1)C3

STK833521
Synonyms: 4- methoxy- 2- [5- methyl- 3- (4- methylphenyl)- 1H- pyrazol- 4- yl]phenol
Smiles: COc1ccc(c(c1)c1c(C)[nH]nc1c1ccc(cc1)C)O

STK526743
Synonyms: 1- {4- [(dimethylamino)methyl]- 5- hydroxy- 2- [(phenylsulfanyl)methyl]- 1- benzofuran- 3- yl}ethanone
Smiles: CN(Cc1c(O)ccc2c1c(C(=O)C)c(o2)CSc1ccccc1)C

STK526748
Synonyms: ethyl(1S,2R,3R,8aS)- 3,6- dicarbamoyl- 1- cyano- 2- (4- fluorophenyl)- 1,2,3,8a- tetrahydroindolizine- 1- carboxylate
Smiles: CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccc(cc1)F)C(=O)N)C(=O)N

STK526752
Synonyms: 6- methoxy- N,N- dimethyl- N'- (4H- 1,2,4- triazol- 4- yl)- 1,3,5- triazine- 2,4- diamine
Smiles: COc1nc(Nn2cnnc2)nc(n1)N(C)C

STK526753
Synonyms: 2- chlorocyclohexyl2,3,5,6- tetramethylphenylsulfide
Smiles: ClC1CCCCC1Sc1c(C)c(C)cc(c1C)C

STK526754
Synonyms: ethyl3- oxo- 2- [(6- oxo- 1,6- dihydropyridazin- 3- yl)oxy]butanoate
Smiles: CCOC(=O)C(C(=O)C)Oc1ccc(=O)[nH]n1

STK833525
Synonyms: ethyl3- benzyl- 5- methyl- 4- oxo- 3,4- dihydrothieno[3,4- d]pyrimidine- 7- carboxylate
Smiles: CCOC(=O)c1sc(c2c1ncn(c2=O)Cc1ccccc1)C

STK526756
Synonyms: 5,5- dimethyl- 2- [({4- [(E)- phenyldiazenyl]phenyl}amino)methylidene]cyclohexane- 1,3- dione
Smiles: O=C1CC(C)(C)CC(=O)C1=CNc1ccc(cc1)/N=N/c1ccccc1

STK526757
Synonyms: N'- [(E)- (2- hydroxyphenyl)methylidene]- 2- {[6- methyl- 2- (methylsulfanyl)pyrimidin- 4- yl]oxy}acetohydrazide
Smiles: CSc1nc(OCC(=O)N/N=C/c2ccccc2O)cc(n1)C

STK833527
Synonyms: 3- (phenylcarbonyl)naphtho[1,2- b]furan- 4,5- dione
Smiles: O=C(c1coc2c1C(=O)C(=O)c1c2cccc1)c1ccccc1

STK526763
Synonyms: methyl1- amino- 8,8- dimethyl- 5- (piperidin- 1- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxylate
Smiles: COC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCCC1

STK526769
Synonyms: (2E)- 3- (1,3- benzodioxol- 5- yl)- 1- [4- (difluoromethoxy)phenyl]prop- 2- en- 1- one
Smiles: FC(Oc1ccc(cc1)C(=O)/C=C/c1ccc2c(c1)OCO2)F

STK526774
Synonyms: 2,2'- [(6- ethoxy- 1,3,5- triazine- 2,4- diyl)diimino]diaceticacid(non- preferredname)
Smiles: CCOc1nc(NCC(=O)O)nc(n1)NCC(=O)O

STK526775
Synonyms: (E)- N- hydroxy- 1- (4- octylphenyl)methanimine
Smiles: CCCCCCCCc1ccc(cc1)/C=N/O

STK526785
Synonyms: methyl(3aS,4S,7R,7aS)- 8- methyl- 1,3- dioxo- 1,3,3a,4,7,7a- hexahydro- 4,7- (epiminomethano)- 2- benzofuran- 9- carboxylate
Smiles: COC(=O)N1C(C)[C@H]2C=C[C@@H]1[C@@H]1[C@H]2C(=O)OC1=O

STK526787
Synonyms: diethyl(2- amino- 1- {[(4- methylphenyl)carbamoyl]amino}- 2- oxoethyl)phosphonate
Smiles: CCOP(=O)(C(C(=O)N)NC(=O)Nc1ccc(cc1)C)OCC

STK526788
Synonyms: 2- ({2- [(E)- 2- (dimethylamino)ethenyl]- 3- nitro- 1- benzofuran- 5- yl}oxy)pyridine- 3- carbonitrile
Smiles: N#Cc1cccnc1Oc1ccc2c(c1)c([N+](=O)[O-])c(o2)/C=C/N(C)C

STK526792
Synonyms: 1- (4- tert- butylphenyl)- 2- diazoethanone
Smiles: O=C(c1ccc(cc1)C(C)(C)C)C=[N+]=[N-]

STK526795
Synonyms: N'- [(4- propoxyphenyl)sulfonyl]- 1- benzofuran- 2- carbohydrazide
Smiles: CCCOc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc2c(o1)cccc2

STK526797
Synonyms: dipropan- 2- yl(2- amino- 1- {[(2- methylpropoxy)carbonyl]amino}- 2- oxoethyl)phosphonate
Smiles: CC(COC(=O)NC(P(=O)(OC(C)C)OC(C)C)C(=O)N)C

STK526803
Synonyms: 3- [(4- nitrophenyl)sulfanyl]- 1- phenylpyrrolidine- 2,5- dione
Smiles: O=C1C(CC(=O)N1c1ccccc1)Sc1ccc(cc1)[N+](=O)[O-]

STK833534
Synonyms: (2- amino- 5- chlorophenyl)(3,4,5- trimethoxyphenyl)methanone
Smiles: COc1cc(cc(c1OC)OC)C(=O)c1cc(Cl)ccc1N

STK526811
Synonyms: 2- (4- methoxyphenyl)- 1- (pyridin- 2- yl)ethanone
Smiles: COc1ccc(cc1)CC(=O)c1ccccn1

STK526812
Synonyms: 5- (aminomethyl)- 2,4- dimethylpyridin- 3- amine
Smiles: NCc1cnc(c(c1C)N)C

STK526816
Synonyms: ethylN- {[4- (propan- 2- yloxy)phenyl]carbonyl}glycylglycinate
Smiles: CCOC(=O)CNC(=O)CNC(=O)c1ccc(cc1)OC(C)C

STK526818
Synonyms: 3,3- dimethyl- 1,3,4,7,8,9- hexahydro- 5H- pyrano[4',3':4,5]thieno[2,3- d]pyrrolo[1,2- a]pyrimidin- 5- imine
Smiles: N=c1c2c(sc3c2CC(C)(C)OC3)nc2n1CCC2

STK833542
Synonyms: 2- (1- phenyl- 3- propyl- 1H- 1,2,4- triazol- 5- yl)phenol
Smiles: CCCc1nn(c(n1)c1ccccc1O)c1ccccc1

STK526824
Synonyms: [4- chloro- 6- (propan- 2- ylamino)- 1,3,5- triazin- 2- yl][(1,1- dioxido- 3- oxo- 1,2- benzothiazol- 2(3H)- yl)methyl]cyanamide
Smiles: N#CN(c1nc(Cl)nc(n1)NC(C)C)CN1C(=O)c2c(S1(=O)=O)cccc2

STK526828
Synonyms: (2Z)- 2- [4- (6- nitro- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- (thiophen- 3- yl)prop- 2- enenitrile
Smiles: N#C/C(=C/c1cscc1)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK526831
Synonyms: 4,4'- (2,2- dichloroethene- 1,1- diyl)bis(N,N- dimethyl- 2- nitroaniline)
Smiles: ClC(=C(c1ccc(c(c1)[N+](=O)[O-])N(C)C)c1ccc(c(c1)[N+](=O)[O-])N(C)C)Cl

STK526833
Synonyms: (3aS,6aS)- 3- (quinolin- 2- ylcarbonyl)- 5- [3- (trifluoromethyl)phenyl]- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)[C@@H]2[C@H]1C(=NN2)C(=O)c1ccc2c(n1)cccc2

STK833546
Synonyms: (2E)- 2- [4- (biphenyl- 4- yl)- 1,3- thiazol- 2- yl]- 3- [(2- ethylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1CC)/c1scc(n1)c1ccc(cc1)c1ccccc1

STK526837
Synonyms: ethyl[2- ({[(E)- amino(phenyl)methylidene]amino}oxy)- 1,1,1,3,3,3- hexafluoropropan- 2- yl]carbamate
Smiles: CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)O/N=C(\c1ccccc1)/N

STK526838
Synonyms: 8- methoxy- 4- (thiomorpholin- 4- yl)- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCSCC1

STK833551
Synonyms: (2E)- 3- [(3- methoxyphenyl)amino]- 2- [4- (4- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)OC)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK526842
Synonyms: (2E)- 2- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]- 3- [(2- methoxyphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1OC)/c1scc(n1)c1ccc(cc1)CC

STK526851
Synonyms: (2E)- 3- [(4- iodophenyl)amino]- 2- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)I)/c1scc(n1)c1ccc(cc1)OC

STK833559
Synonyms: 7- methyl- 4,5- dihydro- 6H- imidazo[4,5- e][2,1,3]benzoxadiazol- 6- ol3- oxide
Smiles: Cc1nc2c(n1O)CCc1c2no[n+]1[O-]

STK833561
Synonyms: [2,3,5,6- tetrafluoro- 4- (3- methyl- 5- phenyl- 1H- pyrazol- 1- yl)phenyl]methanol
Smiles: OCc1c(F)c(F)c(c(c1F)F)n1nc(cc1c1ccccc1)C

STK526857
Synonyms: 5- (trimethylsilyl)thiophene- 2- carboxylicacid
Smiles: OC(=O)c1ccc(s1)[Si](C)(C)C

STK526859
Synonyms: 4,6- dimethyl- N- (5- methyl- 1,2- oxazol- 3- yl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: Cc1onc(c1)NC(=O)c1c(C)cc(=O)oc1C

STK833565
Synonyms: 3- (8- {[2- (3,4- dimethoxyphenyl)ethyl]amino}- 3- methyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)propanenitrile
Smiles: N#CCCn1c(NCCc2ccc(c(c2)OC)OC)nc2c1c(=O)[nH]c(=O)n2C

STK526865
Synonyms: 1- (1H- indol- 3- yl)- 2- [4- (2- methoxyphenyl)piperazin- 1- yl]ethanol
Smiles: COc1ccccc1N1CCN(CC1)CC(c1c[nH]c2c1cccc2)O

STK526866
Synonyms: 1,4- diethyl- 3,6- bis(piperidin- 1- ylmethyl)tetrahydroimidazo[4,5- d]imidazole- 2,5(1H,3H)- dione
Smiles: CCN1C(=O)N(C2C1N(CN1CCCCC1)C(=O)N2CC)CN1CCCCC1

STK833568
Synonyms: 4,4,8,8- tetramethoxy- 4H,8H- benzo[1,2- c:4,5- c']bis[1,2,5]oxadiazole
Smiles: COC1(OC)c2nonc2C(c2c1non2)(OC)OC

STK833569
Synonyms: 3- [(4- methylphenyl)carbonyl]spiro[1,3- benzoxazine- 2,1'- cyclohexan]- 4(3H)- one
Smiles: Cc1ccc(cc1)C(=O)N1C(=O)c2ccccc2OC21CCCCC2

STK526869
Synonyms: 7,7- dimethyl- 2,4- diphenyl- 7,8- dihydro- 5H- pyrano[4,3- b]pyridine
Smiles: CC1(C)OCc2c(C1)nc(cc2c1ccccc1)c1ccccc1

STK526871
Synonyms: 2- [2- (3,4- dimethoxyphenyl)ethyl]- 6- (morpholin- 4- ylcarbonyl)- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: COc1cc(ccc1OC)CCn1c(=O)c2cccc3c2c(c1=O)ccc3C(=O)N1CCOCC1

STK526873
Synonyms: 8- [(1E)- 3- (4- bromophenyl)triaz- 1- en- 1- yl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Brc1ccc(cc1)N/N=N/c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

STK526874
Synonyms: 4- [4- (4- chlorophenyl)piperazin- 1- yl]- 8- methoxy- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccc(cc1)Cl

STK526875
Synonyms: ethyl3- [(E)- (4- phenylpiperazin- 1- yl)diazenyl]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1/N=N/N1CCN(CC1)c1ccccc1)cccc2

STK526876
Synonyms: (1S,2R)- N,N'- dihydroxy- 1- methylcyclohexane- 1,2- diamine
Smiles: ON[C@@H]1CCCC[C@]1(C)NO

STK833570
Synonyms: 5- cyano- 4- (furan- 2- yl)- N- (2- methoxyphenyl)- 2- methyl- 6- {[2- oxo- 2- (phenylamino)ethyl]sulfanyl}- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK833572
Synonyms: 6- chloro- 7- {[(2E)- 2- (4- chlorophenyl)- 2- (hydroxyimino)ethyl]oxy}- 4- methyl- 2H- chromen- 2- one
Smiles: O/N=C(\c1ccc(cc1)Cl)/COc1cc2oc(=O)cc(c2cc1Cl)C

STK526880
Synonyms: (2Z)- 3- [(4- ethoxyphenyl)amino]- 2- [4- (6- nitro- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: CCOc1ccc(cc1)N/C=C(\c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-])/C#N

STK833573
Synonyms: 7- hydroxy- 3- (2- phenyl- 1,3- thiazol- 4- yl)- 2H- chromen- 2- one
Smiles: Oc1ccc2c(c1)oc(=O)c(c2)c1csc(n1)c1ccccc1

STK833575
Synonyms: N- {4- [5- (acetylamino)- 1H- benzimidazol- 2- yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)c1[nH]c2c(n1)cc(cc2)NC(=O)C

STK526884
Synonyms: 1- ethyl- 6- fluoro- 7- (4- methylpiperazin- 1- yl)- 4- oxo- N- (5- propyl- 1,3,4- thiadiazol- 2- yl)- 1,4- dihydroquinoline- 3- carboxamide
Smiles: CCCc1nnc(s1)NC(=O)c1cn(CC)c2c(c1=O)cc(c(c2)N1CCN(CC1)C)F

STK526885
Synonyms: diethyl[2- ({1,1,1,3,3,3- hexafluoro- 2- [(pyridin- 3- ylcarbonyl)amino]propan- 2- yl}amino)propan- 2- yl]phosphonate
Smiles: CCOP(=O)(C(NC(C(F)(F)F)(C(F)(F)F)NC(=O)c1cccnc1)(C)C)OCC

STK833579
Synonyms: (2Z)- 3- (2,3- dimethoxyphenyl)- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/c1cccc(c1OC)OC)/c1scc(n1)c1ccc(c(c1)OC)OC

STK526889
Synonyms: 3,3'- [oxybis(1,3- dioxo- 1,3- dihydro- 2H- isoindole- 5,2- diyl)]dibenzoicacid
Smiles: O=C1c2cc(ccc2C(=O)N1c1cccc(c1)C(=O)O)Oc1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1)C(=O)O

STK526891
Synonyms: 8- (butylsulfanyl)- 7- [3- (4- ethylphenoxy)- 2- hydroxypropyl]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCSc1nc2c(n1CC(COc1ccc(cc1)CC)O)c(=O)[nH]c(=O)n2C

STK833581
Synonyms: (2Z)- 3- [(3- chloro- 2- methylphenyl)amino]- 2- [4- (4- ethoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C\Nc1cccc(c1C)Cl)/C#N

STK526895
Synonyms: 8- methyl- 1- nitroso- 1,2,3,4- tetrahydroquinoline
Smiles: O=NN1CCCc2c1c(C)ccc2

STK833583
Synonyms: 2,2- dimethyl- 3,5,6- triphenyl- 2,3- dihydropyrazine1,4- dioxide
Smiles: [O-][N+]1=C(c2ccccc2)C(=[N+](C(C1c1ccccc1)(C)C)[O-])c1ccccc1

STK526896
Synonyms: 5- chloro- 3a,4,7,7a- tetrahydro- 1H- isoindole- 1,3(2H)- dione
Smiles: ClC1=CCC2C(C1)C(=O)NC2=O

STK526897
Synonyms: {[3- cyano- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}aceticacid
Smiles: N#Cc1c(SCC(=O)O)nc2c(c1c1cccs1)CCCC2

STK526904
Synonyms: N- heptyl- 5- nitro- 2,1,3- benzoxadiazol- 4- amine
Smiles: CCCCCCCNc1c(ccc2c1non2)[N+](=O)[O-]

STK526906
Synonyms: 1- [2- (naphthalen- 1- yloxy)ethyl]- 4- [3- (trifluoromethyl)phenyl]piperazine
Smiles: FC(c1cccc(c1)N1CCN(CC1)CCOc1cccc2c1cccc2)(F)F

STK526920
Synonyms: dimethyl{[(3- chlorophenyl)amino](phenyl)methyl}phosphonate
Smiles: COP(=O)(C(c1ccccc1)Nc1cccc(c1)Cl)OC

STK526921
Synonyms: (5Z)- 1- cyclohexyl- 5- ({[2- (pyridin- 3- yl)piperidin- 1- yl]amino}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\NN1CCCCC1c1cccnc1)C1CCCCC1

STK526922
Synonyms: 2- (dimethylamino)ethyl3- ethyltricyclo[3.3.1.1~3,7~]decane- 1- carboxylate
Smiles: CCC12CC3CC(C1)CC(C2)(C3)C(=O)OCCN(C)C

STK526924
Synonyms: 4- ethoxy- N,N- dimethyl- 3- (1- methyl- 7- oxo- 3- propyl- 6,7- dihydro- 1H- pyrazolo[4,3- d]pyrimidin- 5- yl)benzenesulfonamide
Smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N(C)C)C

STK526929
Synonyms: 2- (2- chlorophenyl)- N- (3,4- difluorophenyl)quinazolin- 4- amine
Smiles: Clc1ccccc1c1nc(Nc2ccc(c(c2)F)F)c2c(n1)cccc2

STK526930
Synonyms: (2E)- 3- [(2- fluorophenyl)amino]- 2- [4- (3- oxo- 3H- benzo[f]chromen- 2- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1F)/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1

STK526933
Synonyms: 7- hexyl- 3- methyl- 8- (methylamino)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCn1c(NC)nc2c1c(=O)[nH]c(=O)n2C

STK833595
Synonyms: 8- methyl- 4,5- dihydro[1,2,5]oxadiazolo[3,4- f]cinnoline3- oxide
Smiles: Cc1nnc2c(c1)c1no[n+](c1CC2)[O-]

STK526937
Synonyms: (2Z)- 2- [4- (2,4- dimethylphenyl)- 1,3- thiazol- 2- yl]- 3- [(2- methylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccccc1C)/c1scc(n1)c1ccc(cc1C)C

STK833598
Synonyms: (2E)- 2- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]- 3- (naphthalen- 1- ylamino)prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc2c1cccc2)/c1scc(n1)c1ccc(cc1)CC

STK526944
Synonyms: (2E)- 3- [(3,5- dimethylphenyl)amino]- 2- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(C)cc(c1)C)/c1scc(n1)c1ccc(cc1)CC

STK833601
Synonyms: (2Z)- 3- [(2,3- dimethylphenyl)amino]- 2- [4- (4- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1C)C)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK526952
Synonyms: N'- [(E)- (1- hydroxynaphthalen- 2- yl)methylidene]- 4- methyl- 1,2,3- thiadiazole- 5- carbohydrazide
Smiles: O=C(c1snnc1C)N/N=C/c1ccc2c(c1O)cccc2

STK526953
Synonyms: 4- methyl- 1,2- dihydronaphtho[2,1- b]thiophene- 6,9- dione3,3- dioxide
Smiles: O=C1C=CC(=O)c2c1c1CCS(=O)(=O)c1c(c2)C

STK833602
Synonyms: 1- (3- chloro- 9H- carbazol- 9- yl)propan- 2- ol
Smiles: CC(Cn1c2ccccc2c2c1ccc(c2)Cl)O

STK526956
Synonyms: 3- {[(4- fluorophenyl)sulfanyl]methyl}- 1,3- benzoxazol- 2(3H)- one
Smiles: Fc1ccc(cc1)SCn1c(=O)oc2c1cccc2

STK833603
Synonyms: (2E)- 3- [(3- bromophenyl)amino]- 2- (4- phenyl- 1,3- thiazol- 2- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)Br)/c1scc(n1)c1ccccc1

STK833606
Synonyms: [4- (3,5- diphenyl- 1H- pyrazol- 1- yl)- 2,3,5,6- tetrafluorophenyl]methanol
Smiles: OCc1c(F)c(F)c(c(c1F)F)n1nc(cc1c1ccccc1)c1ccccc1

STK526962
Synonyms: 1- (9H- carbazol- 9- yl)- 3- {4- [3- (9H- fluoren- 9- yl)- 2- hydroxypropyl]piperazin- 1- yl}propan- 2- ol
Smiles: OC(CC1c2ccccc2c2c1cccc2)CN1CCN(CC1)CC(Cn1c2ccccc2c2c1cccc2)O

STK526963
Synonyms: 2,2'- {[4- (pentyloxy)phenyl]methanediyl}bis(5- phenylcyclohexane- 1,3- dione)
Smiles: CCCCCOc1ccc(cc1)C(C1C(=O)CC(CC1=O)c1ccccc1)C1C(=O)CC(CC1=O)c1ccccc1

STK526964
Synonyms: (2Z)- 3- [(2,3- dichlorophenyl)amino]- 2- [4- (2,4- dimethylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1Cl)Cl)/c1scc(n1)c1ccc(cc1C)C

STK526965
Synonyms: 2- (4- cyclohexylpiperazin- 1- yl)- 1- (1H- indol- 3- yl)ethanone
Smiles: O=C(c1c[nH]c2c1cccc2)CN1CCN(CC1)C1CCCCC1

STK526968
Synonyms: 1- (2,3- dihydro- 1,4- benzodioxin- 2- yl)- N- (4- nitrobenzyl)ethanamine
Smiles: CC(C1COc2c(O1)cccc2)NCc1ccc(cc1)[N+](=O)[O-]

STK833608
Synonyms: 4- methyl- N- {1- [2- (morpholin- 4- yl)ethyl]- 1H- benzimidazol- 2- yl}benzamide
Smiles: Cc1ccc(cc1)C(=O)Nc1nc2c(n1CCN1CCOCC1)cccc2

STK526969
Synonyms: methyl4- {[7- (2- ethoxy- 2- oxoethoxy)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 3- yl]oxy}benzoate
Smiles: CCOC(=O)COc1ccc2c(c1)oc(c(c2=O)Oc1ccc(cc1)C(=O)OC)C(F)(F)F

STK526970
Synonyms: 10- (2- methylprop- 1- en- 1- yl)- 10H- phenothiazine
Smiles: CC(=CN1c2ccccc2Sc2c1cccc2)C

STK526972
Synonyms: 1- (diphenylmethyl)- 4- [6- (naphthalen- 1- yloxy)hexyl]piperazine
Smiles: C(CCOc1cccc2c1cccc2)CCCN1CCN(CC1)C(c1ccccc1)c1ccccc1

STK526974
Synonyms: (1E)- N- hydroxy- 2- {(Z)- [(1E)- 1- (hydroxyimino)- 2- methylpropan- 2- yl]- NNO- azoxy}- 2- methylpropan- 1- imine
Smiles: O/N=C/C(/N=[N+](/C(/C=N/O)(C)C)\[O-])(C)C

STK526975
Synonyms: 3- chloro- 1- {6- oxo- 6- [(trimethylstannanyl)oxy]hexyl}- 4- ({6- oxo- 6- [(trimethylstannanyl)oxy]hexyl}amino)- 1H- pyrrole- 2,5- dione
Smiles: O=C(O[Sn](C)(C)C)CCCCCNC1=C(Cl)C(=O)N(C1=O)CCCCCC(=O)O[Sn](C)(C)C

STK526976
Synonyms: (2E)- 2- [4- (biphenyl- 4- yl)- 1,3- thiazol- 2- yl]- 3- [(4- ethoxyphenyl)amino]prop- 2- enenitrile
Smiles: CCOc1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(cc1)c1ccccc1)\C#N

STK526978
Synonyms: 2- [(4- methylphenyl)(phenyl)methyl]- 2- nitro- 1H- indene- 1,3(2H)- dione
Smiles: Cc1ccc(cc1)C(C1([N+](=O)[O-])C(=O)c2c(C1=O)cccc2)c1ccccc1

STK526980
Synonyms: 3- (furan- 2- ylmethyl)- 8- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Cc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)Cc1ccco1

STK526981
Synonyms: 1- (diphenylmethyl)- 4- [2- (naphthalen- 1- yloxy)ethyl]piperazine
Smiles: c1ccc(cc1)C(c1ccccc1)N1CCN(CC1)CCOc1cccc2c1cccc2

STK526983
Synonyms: 2- [4- (diphenylmethyl)piperazin- 1- yl]- 1- (1H- indol- 3- yl)ethanone
Smiles: O=C(c1c[nH]c2c1cccc2)CN1CCN(CC1)C(c1ccccc1)c1ccccc1

STK526984
Synonyms: 1,1- dioxidotetrahydrothiophen- 3- yloctylsulfoxide
Smiles: CCCCCCCCS(=O)C1CCS(=O)(=O)C1

STK526986
Synonyms: (2Z)- 3- [(4- fluorophenyl)amino]- 2- [4- (4- fluorophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)F)/c1scc(n1)c1ccc(cc1)F

STK833616
Synonyms: (2E)- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- {[3- (trifluoromethyl)phenyl]amino}prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)C(F)(F)F)/c1scc(n1)c1cc2ccccc2oc1=O

STK526988
Synonyms: {[7- (2- hydroxy- 3- phenoxypropyl)- 3- methyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]sulfanyl}aceticacid
Smiles: OC(Cn1c(SCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1

STK526989
Synonyms: 3- {[1,3- dimethyl- 7- (4- methylbenzyl)- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]sulfanyl}propanoicacid
Smiles: OC(=O)CCSc1nc2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C

STK833617
Synonyms: (2E)- 3- (pyridin- 3- yl)- 1- [tricyclo[8.2.2.2~4,7~]hexadeca- 1(12),4,6,10,13,15- hexaen- 5- yl]prop- 2- en- 1- one
Smiles: O=C(c1cc2ccc1CCc1ccc(CC2)cc1)/C=C/c1cccnc1

STK526992
Synonyms: S- (7- oxocyclohepta- 1,3,5- trien- 1- yl)4- methylbenzenecarbothioate
Smiles: Cc1ccc(cc1)C(=O)Sc1cccccc1=O

STK526995
Synonyms: 8- [(2- hydroxyethyl)sulfanyl]- 3- methyl- 7- (prop- 2- en- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C=CCn1c(SCCO)nc2c1c(=O)[nH]c(=O)n2C

STK527000
Synonyms: N- [(E)- {4- methoxy- 3- [(pyridin- 2- ylsulfanyl)methyl]phenyl}methylidene]- 1H- 1,2,4- triazol- 5- amine
Smiles: COc1ccc(cc1CSc1ccccn1)/C=N/c1ncn[nH]1

STK527002
Synonyms: (2Z)- 2- [4- (3,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 3- [(2,5- dimethoxyphenyl)amino]prop- 2- enenitrile
Smiles: COc1ccc(c(c1)N/C=C(\c1scc(n1)c1ccc(c(c1)Cl)Cl)/C#N)OC

STK527005
Synonyms: 10- (3,4,5- trimethoxyphenyl)decahydroacridine- 4a,10a(2H,10H)- dicarbonitrile
Smiles: N#CC12CCCCC1CC1C(N2c2cc(OC)c(c(c2)OC)OC)(C#N)CCCC1

STK527006
Synonyms: (2Z)- 3- [(2,4- dichlorophenyl)amino]- 2- [4- (4- fluorophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1Cl)Cl)/c1scc(n1)c1ccc(cc1)F

STK833621
Synonyms: (2Z)- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]- 3- (naphthalen- 1- yl)prop- 2- enenitrile
Smiles: N#C/C(=C/c1cccc2c1cccc2)/c1scc(n1)c1ccc(c(c1)OC)OC

STK833622
Synonyms: 1- (9H- carbazol- 9- yl)- 3- [(3- methoxyphenyl)amino]propan- 2- ol
Smiles: COc1cccc(c1)NCC(Cn1c2ccccc2c2c1cccc2)O

STK527011
Synonyms: methyl3- [(3,4- dihydroquinolin- 1(2H)- ylacetyl)amino]- 5- methyl- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCCc3c1cccc3)cc(cc2)C

STK527012
Synonyms: 2- [3- (2- carbamothioylhydrazinyl)- 3- oxopropyl]hexanoicacid
Smiles: CCCCC(C(=O)O)CCC(=O)NNC(=S)N

STK833624
Synonyms: (1s,5s)- 2,4,6,8- tetramethyl- 2,4,6,8- tetraazabicyclo[3.3.1]nonane- 3,7- dione
Smiles: CN1[C@@H]2C[C@H](N(C1=O)C)N(C(=O)N2C)C

STK527016
Synonyms: 8- [(3- hydroxypropyl)amino]- 1- (4- methoxybenzyl)- 3,7- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1)OC

STK527020
Synonyms: methyl5- methyl- 3- {[3- (4- methylpiperidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C)cc(cc2)C

STK833625
Synonyms: (2E)- 2- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 3- [(4- ethoxyphenyl)amino]prop- 2- enenitrile
Smiles: CCOc1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(cc1)Cl)\C#N

STK527021
Synonyms: (2E)- 2- [4- (biphenyl- 4- yl)- 1,3- thiazol- 2- yl]- 3- {[2- chloro- 5- (trifluoromethyl)phenyl]amino}prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(ccc1Cl)C(F)(F)F)/c1scc(n1)c1ccc(cc1)c1ccccc1

STK833628
Synonyms: 4',4',6,6- tetramethyl- 3- (naphthalen- 1- yl)- 3,5,6,7- tetrahydro- 2'H,4H,6'H- spiro[1- benzofuran- 2,1'- cyclohexane]- 2',4,6'- trione
Smiles: O=C1CC(C)(C)CC2=C1C(c1cccc3c1cccc3)C1(O2)C(=O)CC(CC1=O)(C)C

STK527022
Synonyms: 3,3'- (oxydiethane- 2,1- diyl)bis(1,3- thiazolidine- 2,4- dione)
Smiles: O=C1SCC(=O)N1CCOCCN1C(=O)CSC1=O

STK833629
Synonyms: (2Z)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- [(4- chloro- 2,5- dimethoxyphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(OC)c(cc1OC)Cl)/c1scc(n1)c1ccc2c(c1)OCO2

STK833630
Synonyms: (2E)- 3- [(2- nitrophenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1[N+](=O)[O-])/c1scc(n1)c1cc2ccccc2oc1=O

STK527023
Synonyms: 8- [(1E)- 3- (3- chlorophenyl)triaz- 1- en- 1- yl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1cccc(c1)N/N=N/c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

STK833631
Synonyms: (2E)- 3- [(3,5- dichlorophenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(Cl)cc(c1)Cl)/c1scc(n1)c1cc2ccccc2oc1=O

STK527025
Synonyms: 3a- methylhexahydro- 1H- benzimidazole- 1,3(2H)- diol
Smiles: ON1CN(C2(C1CCCC2)C)O

STK527026
Synonyms: (2Z)- 3- [(2- ethoxyphenyl)amino]- 2- [4- (3- oxo- 3H- benzo[f]chromen- 2- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: CCOc1ccccc1N/C=C(\c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1)/C#N

STK527027
Synonyms: {[3- (2,4- dichlorophenoxy)- 2- methyl- 4- oxo- 4H- chromen- 7- yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)oc(c(c2=O)Oc1ccc(cc1Cl)Cl)C

STK833635
Synonyms: diethyl6- methyl- 2- phenyl- 4- (phenylamino)cyclohexa- 3,5- diene- 1,3- dicarboxylate
Smiles: CCOC(=O)C1=C(C=C(C(C1c1ccccc1)C(=O)OCC)C)Nc1ccccc1

STK527030
Synonyms: (2Z)- 3- (2,4- dichlorophenyl)- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/c1ccc(cc1Cl)Cl)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK527033
Synonyms: 2- [(3- cyano- 4,6- diphenylpyridin- 2- yl)sulfanyl]- N'- [(E)- (2- hydroxy- 5- nitrophenyl)methylidene]acetohydrazide
Smiles: N#Cc1c(SCC(=O)N/N=C/c2cc(ccc2O)[N+](=O)[O-])nc(cc1c1ccccc1)c1ccccc1

STK833636
Synonyms: (2E)- 3- [(3- bromophenyl)amino]- 2- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)Br)/c1scc(n1)c1ccc(cc1)C

STK527037
Synonyms: (2Z)- 3- [(3,5- dichlorophenyl)amino]- 2- [4- (3,4- dichlorophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(Cl)cc(c1)Cl)/c1scc(n1)c1ccc(c(c1)Cl)Cl

STK527038
Synonyms: 3- methyl- 8- (4- methylpiperazin- 1- yl)- 7- (propan- 2- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CN1CCN(CC1)c1nc2c(n1C(C)C)c(=O)[nH]c(=O)n2C

STK833637
Synonyms: 1- [(4- bromophenyl)amino]- 3- (3,6- dichloro- 9H- carbazol- 9- yl)propan- 2- ol
Smiles: Brc1ccc(cc1)NCC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O

STK833638
Synonyms: (2Z)- 3- [(5- chloro- 2- methoxyphenyl)amino]- 2- [4- (4- ethoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C\Nc1cc(Cl)ccc1OC)/C#N

STK833640
Synonyms: 3- amino- 4- (4- chlorophenyl)- 6- cyclopropylthieno[2,3- b]pyridine- 2- carbonitrile
Smiles: N#Cc1sc2c(c1N)c(cc(n2)C1CC1)c1ccc(cc1)Cl

STK527050
Synonyms: 7- [2- hydroxy- 3- (propan- 2- yloxy)propyl]- 3- methyl- 8- (4- methylpiperazin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)C)COC(C)C

STK527051
Synonyms: 1- (3,4- dichlorophenyl)- 2- {2- imino- 3- [2- (morpholin- 4- yl)ethyl]- 2,3- dihydro- 1H- benzimidazol- 1- yl}ethanone
Smiles: O=C(c1ccc(c(c1)Cl)Cl)Cn1c(=N)n(c2c1cccc2)CCN1CCOCC1

STK833642
Synonyms: (2Z)- 2- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]- 3- (phenylamino)prop- 2- enenitrile
Smiles: CCc1ccc(cc1)c1csc(n1)/C(=C\Nc1ccccc1)/C#N

STK833643
Synonyms: 2- amino- 4- (2- chlorophenyl)- 6- ethyl- 5,6,7,8- tetrahydroquinoline- 3- carbonitrile
Smiles: CCC1CCc2c(C1)c(c1ccccc1Cl)c(c(n2)N)C#N

STK527065
Synonyms: 1,6- bis(4- methoxyphenyl)hexane- 1,6- dione
Smiles: COc1ccc(cc1)C(=O)CCCCC(=O)c1ccc(cc1)OC

STK527066
Synonyms: N,N'- bis{(E)- [4- (dimethylamino)phenyl]methylidene}- 2,2'- dimethylbiphenyl- 4,4'- diamine
Smiles: Cc1cc(ccc1c1ccc(cc1C)/N=C/c1ccc(cc1)N(C)C)/N=C/c1ccc(cc1)N(C)C

STK527067
Synonyms: N- (4- chlorobenzyl)- 1- ethyl- 6- fluoro- 7- (4- methylpiperazin- 1- yl)- 4- oxo- 1,4- dihydroquinoline- 3- carboxamide
Smiles: CCn1cc(C(=O)NCc2ccc(cc2)Cl)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F

STK527068
Synonyms: 1- hydroxy- 5,5- dimethyl- 4- phenyl- 2,5- dihydro- 1H- imidazole- 2- carboxylicacid3- oxide
Smiles: ON1C(C(=O)O)[N+](=C(C1(C)C)c1ccccc1)[O-]

STK527071
Synonyms: (2E)- 2- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 3- [(4- chlorophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)Cl)/c1scc(n1)c1ccc(cc1)Br

STK527074
Synonyms: 4,4'- selanylbis(3,5- dimethyl- 1H- pyrazole)
Smiles: Cc1[nH]nc(c1[Se]c1c(C)n[nH]c1C)C

STK527080
Synonyms: (2Z)- 3- [(2,5- dimethoxyphenyl)amino]- 2- [4- (6- nitro- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: COc1ccc(c(c1)N/C=C(\c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-])/C#N)OC

STK527081
Synonyms: 8- methoxy- 3- ({(E)- [(1R)- 2,4,6- trimethylcyclohex- 3- en- 1- yl]methylidene}amino)- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/[C@@H]1C(C)CC(=CC1C)C

STK527083
Synonyms: N- [(E)- (5- nitrothiophen- 2- yl)methylidene]- 1,3,5- triazatricyclo[3.3.1.1~3,7~]decan- 7- amine
Smiles: [O-][N+](=O)c1ccc(s1)/C=N/C12CN3CN(C2)CN(C1)C3

STK527084
Synonyms: 3- [2- oxo- 2- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)ethyl]- 2- benzofuran- 1(3H)- one
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)CC1OC(=O)c2c1cccc2

STK833657
Synonyms: 2- (3- benzyl- 2- imino- 2,3- dihydro- 1H- benzimidazol- 1- yl)- 1- (4- chlorophenyl)ethanol
Smiles: Clc1ccc(cc1)C(Cn1c(=N)n(c2c1cccc2)Cc1ccccc1)O

STK833659
Synonyms: 7- phenyl- 6H- [1,2,5]oxadiazolo[3,4- e]indole
Smiles: c1ccc(cc1)c1[nH]c2c(c1)c1nonc1cc2

STK527094
Synonyms: ethyl2- {[(2,4- dichlorophenoxy)acetyl]amino}- 5,5- dimethyl- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)COc2ccc(cc2Cl)Cl)sc2c1CC(C)(C)OC2

STK527096
Synonyms: (2E)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- [(4- butoxyphenyl)amino]prop- 2- enenitrile
Smiles: CCCCOc1ccc(cc1)N/C=C(/c1scc(n1)c1ccc2c(c1)OCO2)\C#N

STK527098
Synonyms: (2E)- 3- [(4- butoxyphenyl)amino]- 2- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: CCCCOc1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(cc1)Cl)\C#N

STK833662
Synonyms: (2E)- 3- [(3,4- dimethylphenyl)amino]- 2- [4- (4- fluorophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)C)C)/c1scc(n1)c1ccc(cc1)F

STK527099
Synonyms: (2E)- 2- [4- (biphenyl- 4- yl)- 1,3- thiazol- 2- yl]- 3- [(4- nitrophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)c1ccccc1

STK833663
Synonyms: 2- methyl- 9- (prop- 2- en- 1- yl)- 9H- imidazo[1,2- a]benzimidazole
Smiles: C=CCn1c2nc(cn2c2c1cccc2)C

STK527100
Synonyms: (2Z)- 3- [(5- chloro- 2- methoxyphenyl)amino]- 2- [4- (3- oxo- 3H- benzo[f]chromen- 2- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(Cl)ccc1OC)/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1

STK527102
Synonyms: N- (furan- 2- ylmethyl)- 2- [2- (naphthalen- 1- yloxy)ethoxy]ethanamine
Smiles: C(OCCOc1cccc2c1cccc2)CNCc1ccco1

STK527103
Synonyms: 2- [4- (4- chlorophenyl)piperazin- 1- yl]- 1- (5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)c1ccc(cc1)Cl)c(n2C)C

STK527104
Synonyms: methyl3- {[(4- carbamoylpiperidin- 1- yl)acetyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCC(CC1)C(=O)N)cccc2

STK833665
Synonyms: 2,6- di- tert- butyl- 4- [2- (furan- 2- yl)- 5,6- dimethoxy- 1H- benzimidazol- 1- yl]phenol
Smiles: COc1cc2c(cc1OC)nc(n2c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1ccco1

STK833666
Synonyms: 1- ethyl- 8- methyl- 2- (4- methylphenyl)- 5,6- dihydrodipyrrolo[1,2- a:2',1'- c]pyrazine
Smiles: CCc1c(cn2c1c1ccc(n1CC2)C)c1ccc(cc1)C

STK527109
Synonyms: 4- ethoxy- N- (2- hydroxyethyl)- N- methyl- 3- (1- methyl- 7- oxo- 3- propyl- 6,7- dihydro- 1H- pyrazolo[4,3- d]pyrimidin- 5- yl)benzenesulfonamide
Smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N(CCO)C)C

STK833667
Synonyms: (2E)- 2- [4- (biphenyl- 4- yl)- 1,3- thiazol- 2- yl]- 3- [(4- chlorophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)Cl)/c1scc(n1)c1ccc(cc1)c1ccccc1

STK527111
Synonyms: 7- heptyl- 3- methyl- 8- (morpholin- 4- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCOCC1

STK527113
Synonyms: N,N- diethyl- 2- (2- phenyl- 1H- imidazo[1,2- a]benzimidazol- 1- yl)ethanamine
Smiles: CCN(CCn1c(cn2c1nc1c2cccc1)c1ccccc1)CC

STK833670
Synonyms: 2- amino- 7,7- dimethyl- 5- oxo- 4- [2- (trifluoromethyl)phenyl]- 5,6,7,8- tetrahydro- 4H- chromene- 3- carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1ccccc1C(F)(F)F)C(=O)CC(C2)(C)C

STK527114
Synonyms: N,N'- bis(2- chlorophenyl)quinoxaline- 2,3- diamine
Smiles: Clc1ccccc1Nc1nc2ccccc2nc1Nc1ccccc1Cl

STK527115
Synonyms: (2Z)- 3- [(2,4- dichlorophenyl)amino]- 2- [4- (3,4- dimethylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1Cl)Cl)/c1scc(n1)c1ccc(c(c1)C)C

STK527117
Synonyms: 2- chloro- N- (2- {[(chloroacetyl)amino]methyl}- 3,3,5- trimethylcyclopentyl)acetamide
Smiles: ClCC(=O)NCC1C(NC(=O)CCl)C(CC1(C)C)C

STK527118
Synonyms: 2- (4- methoxyphenyl)- N,N- dimethyl- 1,3- dioxo- 2,3- dihydro- 1H- benzo[de]isoquinoline- 6- carboxamide
Smiles: COc1ccc(cc1)n1c(=O)c2cccc3c2c(c1=O)ccc3C(=O)N(C)C

STK833673
Synonyms: 3- methyl- 8- (piperidin- 1- yl)- 7- (propan- 2- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=c1[nH]c(=O)n(c2c1n(C(C)C)c(n2)N1CCCCC1)C

STK527120
Synonyms: 2- {[(E)- (5- iodofuran- 2- yl)methylidene]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carbonitrile
Smiles: N#Cc1c(/N=C/c2ccc(o2)I)sc2c1CCCC2

STK833675
Synonyms: 2- amino- 4- (5- bromofuran- 2- yl)- 4H- [1]benzothieno[3,2- b]pyran- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(o1)Br)sc1c2cccc1

STK527126
Synonyms: 2- [(Z)- (furan- 2- ylmethylidene)(oxido)- lambda~5~- azanyl]- 2- methylcyclohexanone
Smiles: O=C1CCCCC1(C)/[N+](=C/c1ccco1)/[O-]

STK527127
Synonyms: (2E)- 3- (naphthalen- 1- ylamino)- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc2c1cccc2)/c1scc(n1)c1cc2ccccc2oc1=O

STK527130
Synonyms: 2- [5- methyl- 2- (propan- 2- yl)phenoxy]- N'- [(3E)- 2- oxo- 1- {[2- (pyridin- 3- yl)piperidin- 1- yl]methyl}- 1,2- dihydro- 3H- indol- 3- ylidene]acetohydrazide
Smiles: O=C(COc1cc(C)ccc1C(C)C)N/N=C/1\c2ccccc2N(C1=O)CN1CCCCC1c1cccnc1

STK833677
Synonyms: N'- [(3E)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]tricyclo[3.3.1.1~3,7~]decane- 1- carbohydrazide
Smiles: O=C1Nc2c(/C/1=N\NC(=O)C13CC4CC(C3)CC(C1)C4)cccc2

STK527131
Synonyms: 2- [4- (2- hydroxyethyl)piperazin- 1- yl]- 1- (1H- indol- 3- yl)ethanone
Smiles: OCCN1CCN(CC1)CC(=O)c1c[nH]c2c1cccc2

STK833678
Synonyms: 4- hydroxy- 1- methyl- 2- oxo- N- (pyridin- 3- ylmethyl)- 1,2- dihydroquinoline- 3- carboxamide
Smiles: O=C(c1c(O)c2ccccc2n(c1=O)C)NCc1cccnc1

STK527133
Synonyms: 1,1- bis(diethylamino)- N,N- dimethyl- N'- (4- nitrophenyl)phosphanecarbohydrazonamideoxide
Smiles: CCN(P(=O)(/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/N(C)C)N(CC)CC)CC

STK527137
Synonyms: 3- (1H- benzimidazol- 2- ylsulfanyl)- 4,6,6- trimethyl- 5,6- dihydropyridin- 2(1H)- one
Smiles: CC1=C(Sc2nc3c([nH]2)cccc3)C(=O)NC(C1)(C)C

STK833683
Synonyms: 4,4'- [(3- nitrophenyl)methanediyl]bis(1,5- dimethyl- 2- phenyl- 1,2- dihydro- 3H- pyrazol- 3- one)
Smiles: [O-][N+](=O)c1cccc(c1)C(c1c(C)n(n(c1=O)c1ccccc1)C)c1c(C)n(n(c1=O)c1ccccc1)C

STK527139
Synonyms: 3,3'- [benzene- 1,4- diylbis(oxy)]bis{1- [4- (2- phenoxyethyl)piperazin- 1- yl]propan- 2- ol}
Smiles: OC(CN1CCN(CC1)CCOc1ccccc1)COc1ccc(cc1)OCC(CN1CCN(CC1)CCOc1ccccc1)O

STK833686
Synonyms: 2- (2- chlorophenyl)- 4- ethyl- 5,5- dimethyl- 2,5- dihydro- 1H- imidazol- 1- ol
Smiles: CCC1=NC(N(C1(C)C)O)c1ccccc1Cl

STK527140
Synonyms: 1- benzyl- 4- (1- methyl- 4- nitro- 1H- imidazol- 5- yl)piperazine
Smiles: Cn1cnc(c1N1CCN(CC1)Cc1ccccc1)[N+](=O)[O-]

STK833687
Synonyms: 1- (3,6- dichloro- 9H- carbazol- 9- yl)- 3- [(3- methoxyphenyl)amino]propan- 2- ol
Smiles: COc1cccc(c1)NCC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O

STK527145
Synonyms: methyl3- {[3- (4- cyclohexylpiperazin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)C1CCCCC1)cccc2

STK527146
Synonyms: methyl{[3- cyano- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nc2CCCCc2c(c1C#N)c1cccs1

STK527149
Synonyms: 2- ethyl- 1- [hydroxy(diphenyl)acetyl]- 2,2- dimethyldiazan- 2- ium- 1- ide
Smiles: CC[N+]([N-]C(=O)C(c1ccccc1)(c1ccccc1)O)(C)C

STK527150
Synonyms: 2- (morpholin- 4- ylcarbonyl)phenyl3- methylbenzoate
Smiles: Cc1cccc(c1)C(=O)Oc1ccccc1C(=O)N1CCOCC1

STK527152
Synonyms: dipropan- 2- yl{[2- acetyl- 2- (4- nitrophenyl)hydrazinyl]carbonyl}phosphonate
Smiles: CC(OP(=O)(C(=O)NN(c1ccc(cc1)[N+](=O)[O-])C(=O)C)OC(C)C)C

STK527161
Synonyms: ethyl3- {(E)- [4- (4- fluorophenyl)piperazin- 1- yl]diazenyl}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1/N=N/N1CCN(CC1)c1ccc(cc1)F)cccc2

STK527162
Synonyms: 4- chloro- 1- methyl- 1,3- dihydro- 2H- imidazo[4,5- c]pyridin- 2- one
Smiles: Clc1nccc2c1[nH]c(=O)n2C

STK833691
Synonyms: diethyl6- hydroxy- 6- methyl- 4- [(4- methylphenyl)amino]- 2- phenylcyclohex- 3- ene- 1,3- dicarboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)C)CC(C(C1c1ccccc1)C(=O)OCC)(C)O

STK527164
Synonyms: 8- methyl- 4- (4- phenylpiperazin- 1- yl)- 5H- pyrimido[5,4- b]indole
Smiles: Cc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccccc1

STK833693
Synonyms: 3,6- diamino- 4- ethyl- 2- (thiophen- 2- ylcarbonyl)thieno[2,3- b]pyridine- 5- carbonitrile
Smiles: CCc1c(C#N)c(N)nc2c1c(N)c(s2)C(=O)c1cccs1

STK833694
Synonyms: (2Z)- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]- 3- (3- hydroxy- 4- methoxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)O)OC)/c1scc(n1)c1ccc(c(c1)OC)OC

STK833696
Synonyms: ethyl(2E)- 2- {[5- (2- chlorophenyl)furan- 2- yl]methylidene}- 7- methyl- 3- oxo- 5- phenyl- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1ccc(o1)c1ccccc1Cl)/s2

STK527177
Synonyms: (2E)- 2- [4- (3,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 3- [(2- methyl- 4- nitrophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc(c(c1)Cl)Cl

STK527180
Synonyms: bromo(dimorpholin- 4- ylphosphoryl)acetaldehyde
Smiles: O=CC(P(=O)(N1CCOCC1)N1CCOCC1)Br

STK527184
Synonyms: 6- [3- (trifluoromethyl)phenyl]- 1,4,5,6- tetrahydropyrrolo[2,3- c]pyrazole
Smiles: FC(c1cccc(c1)N1CCc2c1[nH]nc2)(F)F

STK527186
Synonyms: 4- (thiophen- 2- yl)- 2,5- dihydro- 1H- imidazol- 1- ol3- oxide
Smiles: ON1C[N+](=C(C1)c1cccs1)[O-]

STK833699
Synonyms: (2Z)- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]- 3- [(3- methylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1)C)/c1scc(n1)c1ccc(c(c1)OC)OC

STK527188
Synonyms: 2,2'- [(2,4- dichlorophenyl)methanediyl]bis(5,5- dimethylcyclohexane- 1,3- dione)
Smiles: O=C1CC(C)(C)CC(=O)C1C(c1ccc(cc1Cl)Cl)C1C(=O)CC(CC1=O)(C)C

STK833702
Synonyms: 7- [3- (4- chlorophenoxy)- 2- hydroxypropyl]- 8- (ethylsulfanyl)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCSc1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(=O)[nH]c(=O)n2C

STK833703
Synonyms: (2Z)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- (4- nitrophenyl)prop- 2- enenitrile
Smiles: N#C/C(=C/c1ccc(cc1)[N+](=O)[O-])/c1scc(n1)c1ccc2c(c1)OCO2

STK527196
Synonyms: 7- (3- bromobenzyl)- 3- methyl- 8- (propylsulfanyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCSc1nc2c(n1Cc1cccc(c1)Br)c(=O)[nH]c(=O)n2C

STK833707
Synonyms: (2Z)- 2- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]- 3- [(2- methylphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccccc1C)/c1scc(n1)c1ccc(cc1)CC

STK527197
Synonyms: 4- [1- (2,6- dimethylphenyl)- 1H- tetrazol- 5- yl]- N,2,2- trimethyltetrahydro- 2H- pyran- 4- amine
Smiles: CNC1(CCOC(C1)(C)C)c1nnnn1c1c(C)cccc1C

STK527198
Synonyms: N- [(4- chlorophenyl)sulfonyl]- 2- (2,4- dichlorophenoxy)acetamide
Smiles: Clc1ccc(cc1)S(=O)(=O)NC(=O)COc1ccc(cc1Cl)Cl

STK833708
Synonyms: 1- (4- bromo- 3,5- dimethyl- 1H- pyrazol- 1- yl)- 3- (9H- carbazol- 9- yl)propan- 2- ol
Smiles: OC(Cn1c2ccccc2c2c1cccc2)Cn1nc(c(c1C)Br)C

STK833711
Synonyms: (2Z)- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]- 3- [(4- ethylphenyl)amino]prop- 2- enenitrile
Smiles: CCc1ccc(cc1)N/C=C(\c1scc(n1)c1ccc(c(c1)OC)OC)/C#N

STK527205
Synonyms: 2- (4- chlorophenyl)- N- (3,4- dimethylphenyl)quinazolin- 4- amine
Smiles: Clc1ccc(cc1)c1nc(Nc2ccc(c(c2)C)C)c2c(n1)cccc2

STK833713
Synonyms: 1- (oxiran- 2- ylmethyl)- 3- (thiiran- 2- ylmethyl)- 1,3- dihydro- 2H- benzimidazol- 2- one
Smiles: O=c1n(CC2SC2)c2c(n1CC1OC1)cccc2

STK833714
Synonyms: 1- (3,4- dichlorophenyl)- 2- [2- imino- 3- (prop- 2- en- 1- yl)- 2,3- dihydro- 1H- benzimidazol- 1- yl]ethanol
Smiles: C=CCn1c(=N)n(c2c1cccc2)CC(c1ccc(c(c1)Cl)Cl)O

STK833716
Synonyms: (2E)- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]- 3- [(4- ethoxyphenyl)amino]prop- 2- enenitrile
Smiles: CCOc1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(c(c1)OC)OC)\C#N

STK527214
Synonyms: (2E)- 3- [(3,4- dichlorophenyl)amino]- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)Cl)Cl)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK527216
Synonyms: 2- imino- 6- methoxy- N- (2- methoxyphenyl)- 2H- chromene- 3- carboxamide
Smiles: COc1ccc2c(c1)cc(c(=N)o2)C(=O)Nc1ccccc1OC

STK527217
Synonyms: 2- (phenylcarbonyl)cyclopropanecarboxylicacid
Smiles: O=C(c1ccccc1)C1CC1C(=O)O

STK833717
Synonyms: 6- methoxy- 3- (4- methyl- 1,3- thiazol- 2- yl)- 2H- chromen- 2- one
Smiles: COc1ccc2c(c1)cc(c(=O)o2)c1scc(n1)C

STK527222
Synonyms: ethyl2- [(5- chloro- 2- methoxyphenyl)amino]- 3,3,3- trifluoro- N- (pyridin- 3- ylcarbonyl)alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1cc(Cl)ccc1OC)NC(=O)c1cccnc1

STK527224
Synonyms: 2- {(2E)- 2- [1- (3,4- dimethoxyphenyl)ethylidene]hydrazinyl}pyrimidin- 4(3H)- one
Smiles: COc1cc(ccc1OC)/C(=N/Nc1nccc(=O)[nH]1)/C

STK527230
Synonyms: (2E)- 2- [4- (4- ethoxyphenyl)- 1,3- thiazol- 2- yl]- 3- (naphthalen- 1- ylamino)prop- 2- enenitrile
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C/Nc1cccc2c1cccc2)/C#N

STK527234
Synonyms: (3Z)- 3- (3,3- dimethyl- 3,4- dihydroisoquinolin- 1(2H)- ylidene)- 2- oxo- N'- [(E)- phenylmethylidene]propanehydrazide
Smiles: O=C(C(=O)N/N=C/c1ccccc1)/C=C/1\NC(C)(C)Cc2c1cccc2

STK527235
Synonyms: methyl3- [(azepan- 1- ylacetyl)amino]- 5- methyl- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCCCCC1)cc(cc2)C

STK833725
Synonyms: 1- (3,6- dichloro- 9H- carbazol- 9- yl)- 3- [(4- methoxyphenyl)amino]propan- 2- ol
Smiles: COc1ccc(cc1)NCC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O

STK527236
Synonyms: 7- amino- 9- (ethylsulfanyl)- 8- azaspiro[4.5]deca- 6,9- diene- 6,10- dicarbonitrile
Smiles: CCSC1=C(C#N)C2(C(=C(N1)N)C#N)CCCC2

STK527238
Synonyms: 1- (3,4- dichlorophenyl)- 2- {2- imino- 3- [2- (piperidin- 1- yl)ethyl]- 2,3- dihydro- 1H- benzimidazol- 1- yl}ethanol
Smiles: OC(c1ccc(c(c1)Cl)Cl)Cn1c(=N)n(c2c1cccc2)CCN1CCCCC1

STK527244
Synonyms: 4- [4- (2- methoxyphenyl)piperazin- 1- yl]- 8- methyl- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccccc1N1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)C

STK833729
Synonyms: 2- (4- ethoxyphenyl)- 1,3- dimethyl- 2,3- dihydro- 1H- benzimidazole
Smiles: CCOc1ccc(cc1)C1N(C)c2c(N1C)cccc2

STK527246
Synonyms: (2Z)- 3- [(4- chloro- 2,5- dimethoxyphenyl)amino]- 2- {4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- yl}prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(OC)c(cc1OC)Cl)/c1scc(n1)c1ccc(cc1)CC(C)C

STK527248
Synonyms: 2- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 4- oxo- 3- azaspiro[5.5]undec- 1- ene- 1,5- dicarbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)Br)NC(=O)C(C21CCCCC2)C#N

STK833734
Synonyms: 1- hydroxy- 2- phenyl- 1,5,6,7- tetrahydro- 4H- benzimidazol- 4- one
Smiles: O=C1CCCc2c1nc(n2O)c1ccccc1

STK833735
Synonyms: (2E)- 3- [(3- methoxyphenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)OC)/c1scc(n1)c1cc2ccccc2oc1=O

STK527255
Synonyms: (4E)- 5- methyl- 2- phenyl- 4- [(quinolin- 8- ylamino)methylidene]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CC1=NN(C(=O)/C/1=C/Nc1cccc2c1nccc2)c1ccccc1

STK527256
Synonyms: 1- (3,4- dichlorophenyl)- 2- (3- ethyl- 2- imino- 2,3- dihydro- 1H- benzimidazol- 1- yl)ethanol
Smiles: CCn1c(=N)n(c2c1cccc2)CC(c1ccc(c(c1)Cl)Cl)O

STK527257
Synonyms: 1- (5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)- 2- [4- (3- methoxyphenyl)- 3- methylpiperazin- 1- yl]ethanone
Smiles: COc1cccc(c1)N1CCN(CC1C)CC(=O)c1c2cc(OC)ccc2n(c1C)C

STK527259
Synonyms: 1- [(2Z)- 1- methylpyridin- 2(1H)- ylidene]- 3- prop- 2- en- 1- ylthiourea
Smiles: C=CCNC(=S)/N=c\1/ccccn1C

STK527260
Synonyms: 1- methyl- 6- (naphthalen- 2- yl)- 4- phenyl- 3,4,6,7- tetrahydro- 1H- pyrrolo[3,4- d]pyrimidine- 2,5- dione
Smiles: CN1C(=O)NC(C2=C1CN(C2=O)c1ccc2c(c1)cccc2)c1ccccc1

STK527262
Synonyms: cyclopropane- 1,2,3- tricarboxylicacid
Smiles: OC(=O)C1C(C1C(=O)O)C(=O)O

STK833738
Synonyms: (2E)- 3- [(2- ethylphenyl)amino]- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1CC)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK527264
Synonyms: 9- (piperidin- 1- yl)acridine
Smiles: C1CCN(CC1)c1c2ccccc2nc2c1cccc2