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

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STK038999
Synonyms: 2- {[(4- methoxyphenyl)amino]methyl}- 1- methyl- 1H- indole- 3- carbonitrile
Smiles: COc1ccc(cc1)NCc1c(C#N)c2c(n1C)cccc2

STK039014
Synonyms: [5- (heptafluoropropyl)- 5- hydroxy- 3- phenyl- 4,5- dihydro- 1H- pyrazol- 1- yl](3- methylphenyl)methanone
Smiles: Cc1cccc(c1)C(=O)N1N=C(CC1(O)C(C(C(F)(F)F)(F)F)(F)F)c1ccccc1

STK039052
Synonyms: 2- [(2E)- 2- (1- phenylethylidene)hydrazinyl]- 1,3- benzothiazole
Smiles: C/C(=N\Nc1nc2c(s1)cccc2)/c1ccccc1

STK039060
Synonyms: 1- [4- (1H- benzotriazol- 1- ylsulfonyl)- 2- nitrophenyl]pyrrolidin- 2- one
Smiles: O=C1CCCN1c1ccc(cc1[N+](=O)[O-])S(=O)(=O)n1nnc2c1cccc2

STK039068
Synonyms: (2,4- dibromo- 6- methylphenoxy)acetylchloride
Smiles: ClC(=O)COc1c(C)cc(cc1Br)Br

STK039072
Synonyms: N- (2- bromo- 4,5- dimethylphenyl)- 2- (5,6,7,8- tetrahydronaphthalen- 2- yloxy)acetamide
Smiles: O=C(Nc1cc(C)c(cc1Br)C)COc1ccc2c(c1)CCCC2

STK039074
Synonyms: 4- hydrazinyl- 6,6- dimethyl- 2- phenyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: NNc1nc(nc2c1c1CC(C)(C)OCc1s2)c1ccccc1

STK039099
Synonyms: N~2~- [2- (3,4- dimethoxyphenyl)ethyl]- N- (2- methylquinolin- 4- yl)glycinamide
Smiles: COc1cc(CCNCC(=O)Nc2cc(C)nc3c2cccc3)ccc1OC

STK039109
Synonyms: 2- (4- {[4- (4- chlorophenyl)phthalazin- 1- yl]amino}phenoxy)- N- methylacetamide
Smiles: CNC(=O)COc1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(cc1)Cl

STK039116
Synonyms: methyl4- {4- [(4- chlorophenyl)amino]phthalazin- 1- yl}benzoate
Smiles: COC(=O)c1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc(cc1)Cl

STK039136
Synonyms: 4- (furan- 2- ylmethyl)thiomorpholine- 3,5- dione
Smiles: O=C1CSCC(=O)N1Cc1ccco1

STK039161
Synonyms: 5- chloro- 2- methoxy- N- (2- methoxy- 4- methylphenyl)benzamide
Smiles: COc1cc(C)ccc1NC(=O)c1cc(Cl)ccc1OC

STK039179
Synonyms: N- {[3- (butanoylamino)phenyl]carbamothioyl}- 2- nitrobenzamide
Smiles: CCCC(=O)Nc1cccc(c1)NC(=S)NC(=O)c1ccccc1[N+](=O)[O-]

STK039183
Synonyms: 6- oxo- N- phenyl- 2- [(4,6,7- trimethylquinazolin- 2- yl)amino]- 1,4,5,6- tetrahydropyrimidine- 4- carboxamide
Smiles: O=C1NC(=NC(C1)C(=O)Nc1ccccc1)Nc1nc(C)c2c(n1)cc(c(c2)C)C

STK039198
Synonyms: 2- [4- amino- 6- (morpholin- 4- yl)- 1,3,5- triazin- 2- yl]- 1- phenylethanone
Smiles: Nc1nc(CC(=O)c2ccccc2)nc(n1)N1CCOCC1

STK039201
Synonyms: 7- bromo- 9- (hexadecylamino)- 3,3- dimethyl- 3,4- dihydroacridin- 1(2H)- one
Smiles: CCCCCCCCCCCCCCCCNc1c2C(=O)CC(Cc2nc2c1cc(Br)cc2)(C)C

STK039223
Synonyms: N- (2- bromoethyl)- 4- chlorobenzenesulfonamide
Smiles: BrCCNS(=O)(=O)c1ccc(cc1)Cl

STK039230
Synonyms: 2- (1,3- benzothiazol- 2- ylsulfanyl)- 1- (thiophen- 2- yl)ethanone
Smiles: O=C(c1cccs1)CSc1nc2c(s1)cccc2

STK039241
Synonyms: [(2- bromophenyl)carbonyl](3- butyl- 1,2,3- oxadiazol- 3- ium- 5- yl)azanide
Smiles: CCCC[n+]1noc(c1)[N-]C(=O)c1ccccc1Br

STK039257
Synonyms: 3- acetyl- 6- bromoquinoline- 4- carboxylicacid
Smiles: Brc1ccc2c(c1)c(C(=O)O)c(cn2)C(=O)C

STK039271
Synonyms: (2Z)- 2- (hydroxyimino)- N- (pyridin- 2- yl)- 2H- chromene- 3- carboxamide
Smiles: O/N=c/1\oc2ccccc2cc1C(=O)Nc1ccccn1

STK039285
Synonyms: N- butylpyridine- 4- carboxamide
Smiles: CCCCNC(=O)c1ccncc1

STK039340
Synonyms: tetraethyl(piperazine- 1,4- diyldimethanediyl)bis(phosphonate)
Smiles: CCOP(=O)(CN1CCN(CC1)CP(=O)(OCC)OCC)OCC

STK039350
Synonyms: potassium4- [(E)- morpholin- 4- yldiazenyl]naphthalene- 1- sulfonate
Smiles: [O-]S(=O)(=O)c1ccc(c2c1cccc2)/N=N/N1CCOCC1.[K+]

STK039354
Synonyms: N- [3- (dimethylamino)- 2,2- dimethylpropyl]- 1- [(2E)- 3- phenylprop- 2- en- 1- yl]piperidine- 4- carboxamide
Smiles: CN(CC(CNC(=O)C1CCN(CC1)C/C=C/c1ccccc1)(C)C)C

STK039370
Synonyms: 1- ethoxy- 3- [2- methoxy- 4- (prop- 2- en- 1- yl)phenoxy]propan- 2- ol
Smiles: C=CCc1ccc(c(c1)OC)OCC(COCC)O

STK039378
Synonyms: 3,5- dibromo- N- (4,5- dihydro- 1,3- thiazol- 2- yl)- 2- iodobenzamide
Smiles: Brc1cc(Br)c(c(c1)C(=O)NC1=NCCS1)I

STK039380
Synonyms: methylN- (4- {[4- (2- cyclohexylethoxy)phenyl]amino}- 4- oxobutanoyl)glycinate
Smiles: COC(=O)CNC(=O)CCC(=O)Nc1ccc(cc1)OCCC1CCCCC1

STK039438
Synonyms: N- {[2- (cyclohex- 1- en- 1- yl)ethyl]carbamothioyl}pyridine- 3- carboxamide
Smiles: S=C(NC(=O)c1cccnc1)NCCC1=CCCCC1

STK039453
Synonyms: 2- methoxy- 4- {(Z)- [5- oxo- 1- (4- sulfamoylphenyl)- 3- (trifluoromethyl)- 1,5- dihydro- 4H- pyrazol- 4- ylidene]methyl}phenylpropanoate
Smiles: CCC(=O)Oc1ccc(cc1OC)/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)S(=O)(=O)N

STK039460
Synonyms: N~2~- [3- oxo- 2- (2- phenylethyl)- 2,3- dihydro- 1H- isoindol- 1- yl]glycinamide
Smiles: NC(=O)CNC1N(CCc2ccccc2)C(=O)c2c1cccc2

STK039484
Synonyms: ethyl[(4- amino- 7- benzyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc(N)c2c(n1)sc1c2CCN(C1)Cc1ccccc1

STK039541
Synonyms: N'- acetyltricyclo[3.3.1.1~3,7~]decane- 1- carbohydrazide
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)NNC(=O)C

STK039548
Synonyms: 3,5- dibromo- 2- (propanoylamino)benzoicacid
Smiles: CCC(=O)Nc1c(Br)cc(cc1C(=O)O)Br

STK039558
Synonyms: 8- (butan- 2- ylsulfanyl)- 7- [2- hydroxy- 3- (naphthalen- 1- yloxy)propyl]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCC(Sc1nc2c(n1CC(COc1cccc3c1cccc3)O)c(=O)[nH]c(=O)n2C)C

STK039568
Synonyms: 2- (hydroxymethyl)benzoicacid
Smiles: OCc1ccccc1C(=O)O

STK039577
Synonyms: 3- ethyl- 1- methyl- 1,5,6,7- tetrahydro- 2H- cyclopenta[4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: CCn1c(=O)c2c3CCCc3sc2n(c1=O)C

STK039588
Synonyms: 2- (4- {2- [(4- chlorophenyl)sulfanyl]ethoxy}- 3- methoxyphenyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: COc1cc(ccc1OCCSc1ccc(cc1)Cl)c1nc2sc3c(c2c(=O)[nH]1)CCCC3

STK039595
Synonyms: 4,7- bis(4- chlorophenyl)- 5,6- diphenyl- 3a,4,7,7a- tetrahydro- 4,7- methano- 2- benzofuran- 1,3,8- trione
Smiles: Clc1ccc(cc1)C12C3C(=O)OC(=O)C3C(C2=O)(C(=C1c1ccccc1)c1ccccc1)c1ccc(cc1)Cl

STK039616
Synonyms: (2E)- 3- {1- [2- (3- methoxyphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}- 2- (4- nitrophenyl)prop- 2- enenitrile
Smiles: COc1cccc(c1)OCCn1c2ccccc2c(c1C)/C=C(\c1ccc(cc1)[N+](=O)[O-])/C#N

STK039626
Synonyms: 1- (4- fluorophenyl)- 3- [4- (phenylamino)phenyl]thiourea
Smiles: S=C(Nc1ccc(cc1)F)Nc1ccc(cc1)Nc1ccccc1

STK039674
Synonyms: ethyl8,10- dimethyl- 1,3,5,7- tetraoxo- 2,6- bis(2- propoxyphenyl)dodecahydro- 4,8- ethenopyrrolo[3,4- f]isoindole- 9- carboxylate
Smiles: CCCOc1ccccc1N1C(=O)C2C(C1=O)C1(C)C(=C(C2C2C1C(=O)N(C2=O)c1ccccc1OCCC)C)C(=O)OCC

STK039690
Synonyms: 2- {[5- (1H- benzimidazol- 2- ylsulfanyl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}- 1- (4- chlorophenyl)ethanonehydrobromide
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc(o1)Sc1nc2c([nH]1)cccc2.Br

STK039703
Synonyms: N'- [(E)- (4- {3- [4- (butan- 2- yl)phenoxy]propoxy}phenyl)methylidene]pyridine- 4- carbohydrazide
Smiles: CCC(c1ccc(cc1)OCCCOc1ccc(cc1)/C=N/NC(=O)c1ccncc1)C

STK039704
Synonyms: 4- aminobiphenyl- 3- carboxylicacid
Smiles: OC(=O)c1cc(ccc1N)c1ccccc1

STK039733
Synonyms: 2- methyl- 3- (4- methylphenyl)- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Cc1ccc(cc1)n1c(C)nc2c(c1=O)c1CCCc1s2

STK039744
Synonyms: 2- (dimethylamino)ethyl4- fluorobenzoate
Smiles: CN(CCOC(=O)c1ccc(cc1)F)C

STK039762
Synonyms: 3- {[4- (phenylsulfonyl)piperazin- 1- yl]methyl}- 1H- indole
Smiles: O=S(=O)(c1ccccc1)N1CCN(CC1)Cc1c[nH]c2c1cccc2

STK039785
Synonyms: 2,3- dihydroxy- 4- oxobutanoicacid- 2- (5- methyl- 1H- indol- 3- yl)ethanamine(1:1)
Smiles: O=CC(C(C(=O)O)O)O.NCCc1c[nH]c2c1cc(C)cc2

STK039795
Synonyms: 3- {[(E)- (4- methoxynaphthalen- 1- yl)methylidene]amino}phenol
Smiles: COc1ccc(c2c1cccc2)/C=N/c1cccc(c1)O

STK039801
Synonyms: (4Z)- 1- (3- chlorophenyl)- 4- (2- hydroxy- 3- methoxy- 5- nitrobenzylidene)pyrazolidine- 3,5- dione
Smiles: COc1cc(cc(c1O)/C=C\1/C(=O)NN(C1=O)c1cccc(c1)Cl)[N+](=O)[O-]

STK039809
Synonyms: 3- ethyl- 2- [(E)- 2- (furan- 2- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: CCn1c(/C=C/c2ccco2)nc2c(c1=O)cccc2

STK039814
Synonyms: (2Z)- 2- [2- (4- bromophenyl)hydrazinylidene]- 6- chloro- N- (3- hydroxy- 4- methylphenyl)- 2H- chromene- 3- carboxamide
Smiles: Brc1ccc(cc1)N/N=c/1\oc2ccc(cc2cc1C(=O)Nc1ccc(c(c1)O)C)Cl

STK039815
Synonyms: (3,5- di- tert- butyl- 4- hydroxyphenyl)- N- (ethoxymethyl)- N,N- dimethylmethanaminium
Smiles: CCOC[N+](Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C

STK039823
Synonyms: 2- cyano- N- (diethylcarbamoyl)- 2- ethylbutanamide
Smiles: CCN(C(=O)NC(=O)C(C#N)(CC)CC)CC

STK039888
Synonyms: N- (3- methylbutyl)- N'- (thiophen- 2- ylmethyl)butanediamide
Smiles: CC(CCNC(=O)CCC(=O)NCc1cccs1)C

STK039893
Synonyms: tert- butyl(2E)- 2- (4- hydroxy- 3- iodo- 5- methoxybenzylidene)hydrazinecarboxylate
Smiles: COc1cc(/C=N/NC(=O)OC(C)(C)C)cc(c1O)I

STK039903
Synonyms: 4- methyl- 6- (phenylcarbamoyl)cyclohex- 3- ene- 1- carboxylicacid
Smiles: O=C(C1CC(=CCC1C(=O)O)C)Nc1ccccc1

STK039908
Synonyms: 2- (acryloylamino)- 3- chloro- 2- methylpropane- 1- sulfonate
Smiles: C=CC(=O)NC(CS(=O)(=O)[O-])(CCl)C

STK039914
Synonyms: methyl3- [4- (benzyloxy)phenyl]- 3- {[(5- propoxy- 1H- indol- 2- yl)carbonyl]amino}propanoate
Smiles: CCCOc1ccc2c(c1)cc([nH]2)C(=O)NC(c1ccc(cc1)OCc1ccccc1)CC(=O)OC

STK039920
Synonyms: 6- (4- methylphenyl)- 5- [(3,3,4- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)methyl]imidazo[2,1- b][1,3]thiazole
Smiles: Cc1ccc(cc1)c1nc2n(c1CN1CC3CC1C(C)C(C3)(C)C)ccs2

STK039959
Synonyms: N- (prop- 2- en- 1- yl)- N'- (tetrahydrofuran- 2- ylmethyl)butanediamide
Smiles: C=CCNC(=O)CCC(=O)NCC1CCCO1

STK039971
Synonyms: N- [4- oxo- 2- (phenylamino)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 3(4H)- yl]formamide
Smiles: O=CNn1c(Nc2ccccc2)nc2c(c1=O)c1CCCCc1s2

STK039976
Synonyms: N- (3- cyano- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl)- 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetamide
Smiles: N#Cc1c(NC(=O)CSc2nncn2C)sc2c1CCC2

STK039979
Synonyms: 10- acetyl- 11- (4- hydroxyphenyl)- 2,3,4,5,10,11- hexahydro- 1H- dibenzo[b,e][1,4]diazepin- 1- one
Smiles: Oc1ccc(cc1)C1C2=C(CCCC2=O)Nc2c(N1C(=O)C)cccc2

STK039988
Synonyms: N- [(4- ethylcyclohexyl)carbonyl]valine
Smiles: CCC1CCC(CC1)C(=O)NC(C(=O)O)C(C)C

STK040016
Synonyms: 3- methyl- 1- phenyl- 5- sulfanyl- 1H- pyrazole- 4- carbaldehyde
Smiles: O=Cc1c(C)nn(c1S)c1ccccc1

STK040049
Synonyms: 8,8- dimethyl- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine- 2,4(1H,3H)- dithione
Smiles: S=c1[nH]c(=S)c2c([nH]1)c1cc3COC(Cc3nc1s2)(C)C

STK040059
Synonyms: 2,2'- (methanediyldi- 1,3- thiazole- 2,4- diyl)bis(3H- benzo[f]chromen- 3- one)
Smiles: O=c1oc2ccc3c(c2cc1c1csc(n1)Cc1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1)cccc3

STK040077
Synonyms: 3- [(3- hydroxypropyl)amino]- 1- (4- propoxyphenyl)pyrrolidine- 2,5- dione
Smiles: OCCCNC1CC(=O)N(C1=O)c1ccc(cc1)OCCC

STK040083
Synonyms: 4- {(2Z)- 2- [1- carbamothioyl- 3- (4- nitrophenyl)- 5- oxo- 1,5- dihydro- 4H- pyrazol- 4- ylidene]hydrazinyl}benzamide
Smiles: NC(=O)c1ccc(cc1)N/N=C/1\C(=O)N(N=C1c1ccc(cc1)[N+](=O)[O-])C(=S)N

STK040086
Synonyms: N- [2- (dimethylamino)ethyl]- N'- (4- phenoxyphenyl)butanediamide
Smiles: CN(CCNC(=O)CCC(=O)Nc1ccc(cc1)Oc1ccccc1)C

STK040118
Synonyms: N,1- dibenzyl- 4- hydroxy- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: O=C(c1c(O)c2ccccc2n(c1=O)Cc1ccccc1)NCc1ccccc1

STK040141
Synonyms: 2- (3- methylphenoxy)- N- [4- (phenylamino)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Nc1ccccc1)COc1cccc(c1)C

STK040147
Synonyms: 3- (naphthalen- 1- yl)- 2- [5- (2- nitrophenyl)furan- 2- yl]- 2,3- dihydroquinazolin- 4(1H)- one
Smiles: O=C1c2ccccc2NC(N1c1cccc2c1cccc2)c1ccc(o1)c1ccccc1[N+](=O)[O-]

STK040149
Synonyms: (5Z)- 3- methyl- 5- {(5Z)- 5- [(2E)- 2- (3- methyl- 5- nitro- 1,3- benzothiazol- 2(3H)- ylidene)ethylidene]- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene}- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CN1C(=S)S/C(=c/2\s/c(=C\C=c/3\sc4c(n3C)cc(cc4)[N+](=O)[O-])/c(=O)n2c2ccccc2)/C1=O

STK040165
Synonyms: 4- fluoro- N- [(E)- (2- methyl- 1H- indol- 3- yl)methylidene]aniline
Smiles: Fc1ccc(cc1)/N=C/c1c(C)[nH]c2c1cccc2

STK040175
Synonyms: (2E)- N- benzyl- 2- cyano- 3- {1- [2- (2,4- dimethylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}prop- 2- enamide
Smiles: N#C/C(=C\c1c(C)n(c2c1cccc2)CCOc1ccc(cc1C)C)/C(=O)NCc1ccccc1

STK040188
Synonyms: 2- iodo- 5- {[(3- methylphenoxy)acetyl]amino}benzoicacid
Smiles: O=C(Nc1ccc(c(c1)C(=O)O)I)COc1cccc(c1)C

STK040193
Synonyms: 1- [(6- ethoxynaphthalen- 2- yl)sulfonyl]azepane
Smiles: CCOc1ccc2c(c1)ccc(c2)S(=O)(=O)N1CCCCCC1

STK040200
Synonyms: 2- chloro- 4- ({[(3- iodophenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: S=C(NC(=O)c1cccc(c1)I)Nc1ccc(c(c1)Cl)C(=O)O

STK040202
Synonyms: 2- ({2- [(3,4- dihydroxyphenyl)carbonyl]hydrazinyl}carbonyl)benzoicacid
Smiles: O=C(c1ccc(c(c1)O)O)NNC(=O)c1ccccc1C(=O)O

STK040214
Synonyms: 4- ethoxy- N- (2- methoxy- 5- methylphenyl)benzamide
Smiles: CCOc1ccc(cc1)C(=O)Nc1cc(C)ccc1OC

STK040255
Synonyms: (6Z)- 5,5- diethyl- 6- [(4- methoxyphenyl)imino]- 3- methyldihydropyrimidine- 2,4(1H,3H)- dione
Smiles: COc1ccc(cc1)/N=C/1\NC(=O)N(C(=O)C1(CC)CC)C

STK040256
Synonyms: (2E)- 2- cyano- 3- {3- [(4- fluorobenzyl)oxy]phenyl}- N- (2- methylphenyl)prop- 2- enamide
Smiles: N#C/C(=C\c1cccc(c1)OCc1ccc(cc1)F)/C(=O)Nc1ccccc1C

STK040263
Synonyms: 1- benzyl- 1H- pyrazolo[3,4- d]pyrimidin- 4- amine
Smiles: Nc1ncnc2c1cnn2Cc1ccccc1

STK040324
Synonyms: N- [3- (3,3- dichloroprop- 2- en- 1- yl)- 4- hydroxy- 2- methylquinolin- 6- yl]acetamide
Smiles: CC(=O)Nc1ccc2c(c1)c(O)c(c(n2)C)CC=C(Cl)Cl

STK040326
Synonyms: (4Z)- 5- methyl- 4- [1- (4- nitrophenyl)ethylidene]- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CC1=NN(C(=O)/C/1=C(\c1ccc(cc1)[N+](=O)[O-])/C)c1ccccc1

STK040327
Synonyms: N- [2- (dimethylamino)ethyl]- 1- (2- hydroxybenzyl)piperidine- 4- carboxamide
Smiles: CN(CCNC(=O)C1CCN(CC1)Cc1ccccc1O)C

STK040339
Synonyms: 2- {[4- (3,4- dimethoxyphenyl)tetrahydro- 2H- pyran- 4- yl]methyl}- 6,7- dimethoxy- 1- methyl- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc(ccc1OC)C1(CCOCC1)CN1CCc2c(C1C)cc(c(c2)OC)OC

STK040350
Synonyms: ethyl{[5- oxo- 4- (phenylcarbonyl)- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C(=O)c1ccccc1)CCCC3

STK040361
Synonyms: ethyl2- {[(E)- (3,4,5- trimethoxyphenyl)methylidene]amino}- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(/N=C/c2cc(OC)c(c(c2)OC)OC)sc2c1CCC2

STK040368
Synonyms: N- acetyl- N- [1- (4- bromophenyl)- 2- cyano- 1H- benzo[f]chromen- 3- yl]acetamide
Smiles: N#CC1=C(Oc2c(C1c1ccc(cc1)Br)c1ccccc1cc2)N(C(=O)C)C(=O)C

STK040371
Synonyms: (5Z)- 5- (2- bromo- 5- ethoxy- 4- methoxybenzylidene)- 3- (4- methoxyphenyl)- 2- thioxoimidazolidin- 4- one
Smiles: CCOc1cc(/C=C/2\NC(=S)N(C2=O)c2ccc(cc2)OC)c(cc1OC)Br

STK040392
Synonyms: 2- (piperazin- 1- yl)- 4,6- di(pyrrolidin- 1- yl)- 1,3,5- triazine
Smiles: N1CCN(CC1)c1nc(nc(n1)N1CCCC1)N1CCCC1

STK040398
Synonyms: 3- (3,5- dimethyl- 1H- pyrazol- 1- yl)dihydrofuran- 2,5- dione
Smiles: Cc1cc(nn1C1CC(=O)OC1=O)C

STK040451
Synonyms: N- [2- (4- ethylphenyl)- 1,3- benzoxazol- 5- yl]propanamide
Smiles: CCC(=O)Nc1ccc2c(c1)nc(o2)c1ccc(cc1)CC

STK040453
Synonyms: 2,2'- disulfanediylbis(3,4,6- trichlorophenol)
Smiles: Clc1cc(Cl)c(c(c1O)SSc1c(O)c(Cl)cc(c1Cl)Cl)Cl

STK040470
Synonyms: 3- (2- bromophenyl)- 5- (4- fluorophenyl)- 1,2,4- oxadiazole
Smiles: Fc1ccc(cc1)c1onc(n1)c1ccccc1Br

STK040485
Synonyms: 4,4'- [carbonylbis(benzene- 3,1- diylimino)]bis(4- oxobutanoicacid)
Smiles: O=C(Nc1cccc(c1)C(=O)c1cccc(c1)NC(=O)CCC(=O)O)CCC(=O)O

STK040510
Synonyms: {5- hydroxy- 6- methyl- 4- [(E)- (naphthalen- 1- ylimino)methyl]pyridin- 3- yl}methyldihydrogenphosphate
Smiles: Cc1ncc(c(c1O)/C=N/c1cccc2c1cccc2)COP(=O)(O)O

STK040538
Synonyms: ethyl(2E)- 3- {1- [2- (4- chlorophenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}- 2- cyanoprop- 2- enoate
Smiles: CCOC(=O)/C(=C/c1c(C)n(c2c1cccc2)CCOc1ccc(cc1)Cl)/C#N

STK040542
Synonyms: (4Z)- 4- [(2- hydroxynaphthalen- 1- yl)methylidene]- 2- phenyl- 1,3- oxazol- 5(4H)- one
Smiles: O=C1OC(=N/C/1=C\c1c(O)ccc2c1cccc2)c1ccccc1

STK040563
Synonyms: N- benzyl- 1- (2,3- dimethoxybenzyl)- N- methylpiperidine- 4- carboxamide
Smiles: COc1c(cccc1OC)CN1CCC(CC1)C(=O)N(Cc1ccccc1)C

STK040590
Synonyms: 7- hydroxy- 2- oxo- N- (pyridin- 2- yl)- 2H- chromene- 3- carboxamide
Smiles: Oc1ccc2c(c1)oc(=O)c(c2)C(=O)Nc1ccccn1

STK040594
Synonyms: N- [4- (4- cyclohexylphenyl)- 1,3- thiazol- 2- yl]- N- phenylacetamide
Smiles: CC(=O)N(c1ccccc1)c1scc(n1)c1ccc(cc1)C1CCCCC1

STK040641
Synonyms: {4- [(5,7- dinitroquinolin- 8- yl)amino]phenoxy}aceticacid
Smiles: OC(=O)COc1ccc(cc1)Nc1c(cc(c2c1nccc2)[N+](=O)[O-])[N+](=O)[O-]

STK040654
Synonyms: (1E)- N- hydroxy- 1- (1- methyl- 1H- indol- 3- yl)propan- 1- imine
Smiles: CC/C(=N\O)/c1cn(c2c1cccc2)C

STK040667
Synonyms: 4- [(2E)- 2- {1- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 3- methyl- 5- oxo- 1,5- dihydro- 4H- pyrazol- 4- ylidene}hydrazinyl]- 2- hydroxybenzoicacid
Smiles: Clc1ccc(cc1)c1csc(n1)N1N=C(/C(=N\Nc2ccc(c(c2)O)C(=O)O)/C1=O)C

STK040719
Synonyms: (6Z)- 5- imino- 6- {3- [2- (3- methylphenoxy)ethoxy]benzylidene}- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1cccc(c1)OCCOc1cccc(c1)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK040776
Synonyms: (6Z)- 6- [3- chloro- 5- ethoxy- 4- (naphthalen- 1- ylmethoxy)benzylidene]- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCc1cccc2c1cccc2)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK040833
Synonyms: N- (4- {(2Z)- 2- [3- (4- nitrophenyl)- 5- oxo- 1- phenyl- 1,5- dihydro- 4H- pyrazol- 4- ylidene]hydrazinyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/N=C\1/C(=NN(C1=O)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK040850
Synonyms: 2- chloro- N'- {(1E)- 1- [7- (diethylamino)- 2- oxo- 2H- chromen- 3- yl]ethylidene}benzohydrazide
Smiles: CCN(c1ccc2c(c1)oc(=O)c(c2)/C(=N/NC(=O)c1ccccc1Cl)/C)CC

STK040851
Synonyms: N- {4- [(butylcarbamoyl)sulfamoyl]phenyl}- 2- phenoxyacetamide
Smiles: CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)NC(=O)COc1ccccc1

STK040860
Synonyms: N- benzyl- 2- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)hydrazinecarbothioamide
Smiles: S=C(NCc1ccccc1)NNC(=O)C12CC3CC(C2)CC(C1)C3

STK040884
Synonyms: 1- (diethoxymethyl)- 1H- benzimidazole
Smiles: CCOC(n1cnc2c1cccc2)OCC

STK040888
Synonyms: 3- {(2E)- 2- [4- (benzyloxy)- 3- methoxybenzylidene]hydrazinyl}- 6- chloropyridazine
Smiles: COc1cc(/C=N/Nc2ccc(nn2)Cl)ccc1OCc1ccccc1

STK040892
Synonyms: (6Z)- 6- [4- (dimethylamino)benzylidene]- 5- imino- 2- (trifluoromethyl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)N(C)C)C(F)(F)F

STK040896
Synonyms: N- (3- oxo- 2- propyl- 2,3- dihydro- 1H- isoindol- 1- yl)glycine
Smiles: CCCN1C(=O)c2c(C1NCC(=O)O)cccc2

STK040901
Synonyms: 1- azabicyclo[2.2.2]oct- 3- yl4- bromobenzoate
Smiles: O=C(c1ccc(cc1)Br)OC1CN2CCC1CC2

STK040930
Synonyms: 2- chloro- 4- ({[(2- iodophenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: S=C(NC(=O)c1ccccc1I)Nc1ccc(c(c1)Cl)C(=O)O

STK040942
Synonyms: (2Z)- 2- [2- (4- bromophenyl)hydrazinylidene]- N- (3- hydroxy- 4- methylphenyl)- 6- nitro- 2H- chromene- 3- carboxamide
Smiles: Brc1ccc(cc1)N/N=c/1\oc2ccc(cc2cc1C(=O)Nc1ccc(c(c1)O)C)[N+](=O)[O-]

STK040945
Synonyms: 5- (4- bromophenyl)- 3- (4- fluorophenyl)- 1,2,4- oxadiazole
Smiles: Fc1ccc(cc1)c1noc(n1)c1ccc(cc1)Br

STK040952
Synonyms: 5- {[(E)- {4- [2- (4- tert- butylphenoxy)ethoxy]- 3- chloro- 5- methoxyphenyl}methylidene]amino}pyrimidine- 2,4(1H,3H)- dione
Smiles: COc1cc(/C=N/c2c[nH]c(=O)[nH]c2=O)cc(c1OCCOc1ccc(cc1)C(C)(C)C)Cl

STK040957
Synonyms: 4- {(E)- [(2- methoxyphenyl)imino]methyl}benzene- 1,3- diol
Smiles: COc1ccccc1/N=C/c1ccc(cc1O)O

STK040986
Synonyms: 1- [(4- butoxyphenyl)sulfonyl]- 5- nitro- 1H- benzimidazole
Smiles: CCCCOc1ccc(cc1)S(=O)(=O)n1cnc2c1ccc(c2)[N+](=O)[O-]

STK041008
Synonyms: 4- hydroxy- 1- methyl- 2- oxo- N- (pyridin- 2- ylmethyl)- 1,2- dihydroquinoline- 3- carboxamide
Smiles: O=C(c1c(O)c2ccccc2n(c1=O)C)NCc1ccccn1

STK041016
Synonyms: 4- hydroxy- 7- methyl- 9- (thiophen- 3- yl)thieno[2,3- b:4,5- b']dipyridin- 2(1H)- one
Smiles: Cc1nc2sc3c(c2c(c1)c1cscc1)[nH]c(=O)cc3O

STK041021
Synonyms: 2- (cyclohexyloxy)- 4,6- diphenylpyridine- 3- carbonitrile
Smiles: N#Cc1c(OC2CCCCC2)nc(cc1c1ccccc1)c1ccccc1

STK041039
Synonyms: 2- [(E)- 2- (1,3- benzodioxol- 5- yl)ethenyl]quinoline- 4- carboxylicacid
Smiles: OC(=O)c1cc(/C=C/c2ccc3c(c2)OCO3)nc2c1cccc2

STK041048
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- N- methyl- 1- (pyridin- 3- ylmethyl)piperidine- 4- carboxamide
Smiles: COc1cc(CCN(C(=O)C2CCN(CC2)Cc2cccnc2)C)ccc1OC

STK041056
Synonyms: N- [6- methyl- 3- (phenylcarbamoyl)- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl]pyridine- 3- carboxamide
Smiles: CC1CCc2c(C1)sc(c2C(=O)Nc1ccccc1)NC(=O)c1cccnc1

STK041068
Synonyms: 8- amino- 7- (4- chlorobenzyl)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(cc1)Cn1c(N)nc2c1c(=O)[nH]c(=O)n2C

STK041098
Synonyms: 6- (furan- 2- yl)- 2- {[2- oxo- 2- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)ethyl]sulfanyl}- 4- (trifluoromethyl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(SCC(=O)C23CC4CC(C3)CC(C2)C4)nc(cc1C(F)(F)F)c1ccco1

STK041102
Synonyms: [5- ethyl- 3- hydroxy- 3- (trifluoromethyl)- 3,3a,4,5,6,7- hexahydro- 2H- indazol- 2- yl](4- methoxyphenyl)methanone
Smiles: CCC1CCC2=NN(C(C2C1)(O)C(F)(F)F)C(=O)c1ccc(cc1)OC

STK041125
Synonyms: N- [3- (benzyloxy)benzyl]- N- methylbutan- 1- amine
Smiles: CCCCN(Cc1cccc(c1)OCc1ccccc1)C

STK041177
Synonyms: N- [2- (dimethylamino)ethyl]- 1- (pyridin- 2- ylmethyl)piperidine- 4- carboxamide
Smiles: CN(CCNC(=O)C1CCN(CC1)Cc1ccccn1)C

STK041183
Synonyms: 1- (2,4- dinitrophenyl)- 4- [(3- nitrophenyl)sulfonyl]piperazine
Smiles: [O-][N+](=O)c1cc(ccc1N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK041190
Synonyms: 3- (6,6- dimethyl- 4- oxotetrahydro- 2H- pyran- 3- yl)- 3- hydroxy- 1- (propan- 2- yl)- 1,3- dihydro- 2H- indol- 2- one
Smiles: O=C1CC(C)(C)OCC1C1(O)C(=O)N(c2c1cccc2)C(C)C

STK041200
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 1- (4- ethoxybenzyl)piperidine- 4- carboxamide
Smiles: CCOc1ccc(cc1)CN1CCC(CC1)C(=O)NCCc1ccc(c(c1)OC)OC

STK041201
Synonyms: 5- [(4- carboxybutanoyl)amino]benzene- 1,3- dicarboxylicacid
Smiles: OC(=O)CCCC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O

STK041218
Synonyms: (2E)- 3- (4- methoxyphenyl)- N- {4- [(4- methoxyphenyl)sulfamoyl]phenyl}prop- 2- enamide
Smiles: COc1ccc(cc1)/C=C/C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)OC

STK041265
Synonyms: N- {4- [(2Z)- 2- {3- methyl- 1- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]- 5- oxo- 1,5- dihydro- 4H- pyrazol- 4- ylidene}hydrazinyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/N=C\1/C(=NN(C1=O)c1scc(n1)c1cccc(c1)[N+](=O)[O-])C

STK041269
Synonyms: 2- amino- 6- tert- butyl- 4,5,6,7- tetrahydrothieno[2,3- c]pyridine- 3- carbonitrile
Smiles: N#Cc1c(N)sc2c1CCN(C2)C(C)(C)C

STK041299
Synonyms: (6Z)- 6- {3- ethoxy- 4- [2- (3- methoxyphenoxy)ethoxy]benzylidene}- 5- imino- 2- (propan- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCCOc1cccc(c1)OC)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(C)C

STK041333
Synonyms: 1- (3- ethoxy- 2- methoxybenzyl)- N- (pyridin- 2- ylmethyl)piperidine- 4- carboxamide
Smiles: CCOc1cccc(c1OC)CN1CCC(CC1)C(=O)NCc1ccccn1

STK041374
Synonyms: 1,3,7- trimethyl- 8- {[2- (morpholin- 4- yl)ethyl]amino}- 3,4,5,7- tetrahydro- 1H- purine- 2,6- dione
Smiles: O=C1N(C)C(=O)N(C2C1N(C)C(=N2)NCCN1CCOCC1)C

STK041399
Synonyms: [4- (biphenyl- 4- yl)- 2- (4- chlorophenyl)- 1,3- thiazol- 5- yl]aceticacid
Smiles: OC(=O)Cc1sc(nc1c1ccc(cc1)c1ccccc1)c1ccc(cc1)Cl

STK041400
Synonyms: N- {(E)- amino[(4- methylquinazolin- 2- yl)amino]methylidene}- 2- (4- nitrophenyl)acetamide
Smiles: N/C(=N\C(=O)Cc1ccc(cc1)[N+](=O)[O-])/Nc1nc(C)c2c(n1)cccc2

STK041415
Synonyms: 2- {[4- (diethylamino)phenyl]carbamoyl}benzoicacid
Smiles: CCN(c1ccc(cc1)NC(=O)c1ccccc1C(=O)O)CC

STK041421
Synonyms: 2- chloro- N- (4- hydrazinyl- 6- methoxypyrimidin- 2- yl)benzenesulfonamide
Smiles: NNc1cc(OC)nc(n1)NS(=O)(=O)c1ccccc1Cl

STK041434
Synonyms: 2- (2- fluorophenyl)- 7- methyl- 1,2,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4- ol
Smiles: CN1CCc2c(C1)sc1c2C(=NC(N1)c1ccccc1F)O

STK041441
Synonyms: 2- (2,6- dimethoxyphenyl)- 3a,4,7,7a- tetrahydro- 1H- 4,7- ethanoisoindole- 1,3(2H)- dione
Smiles: COc1cccc(c1N1C(=O)C2C(C1=O)C1CCC2C=C1)OC

STK041445
Synonyms: 14,14'- benzene- 1,4- diylbis(7- phenyldibenzo[c,h]acridinium)ditetrafluoroborate
Smiles: c1ccc(cc1)c1c2ccc3c(c2[n+](c2c1ccc1c2cccc1)c1ccc(cc1)[n+]1c2c(ccc4c2cccc4)c(c2c1c1ccccc1cc2)c1ccccc1)cccc3.F[B-](F)(F)F.F[B-](F)(F)F

STK041449
Synonyms: N- [(4- methylpyridin- 2- yl)carbamothioyl]- 4- nitrobenzamide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])NC(=S)Nc1nccc(c1)C

STK041464
Synonyms: (3E)- 3- [(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)imino]- 5- methoxy- 1,3- dihydro- 2H- indol- 2- one
Smiles: COc1ccc2c(c1)/C(=N\c1c(=O)n(n(c1C)C)c1ccccc1)/C(=O)N2

STK041492
Synonyms: 8- [(4- aminobenzyl)sulfanyl]- 3- methyl- 7- (2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Nc1ccc(cc1)CSc1nc2c(n1CCc1ccccc1)c(=O)[nH]c(=O)n2C

STK041500
Synonyms: methyl3- ({[2- (4- methoxyphenyl)- 1,3- dioxo- 2,3- dihydro- 1H- isoindol- 5- yl]carbonyl}amino)benzoate
Smiles: COc1ccc(cc1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)Nc1cccc(c1)C(=O)OC

STK041510
Synonyms: amino(3,4- dimethoxyphenyl)aceticacid
Smiles: COc1cc(ccc1OC)C(C(=O)O)N

STK041515
Synonyms: (2Z)- N- (2,3- dimethylphenyl)- 2- (hydroxyimino)- 8- methoxy- 2H- chromene- 3- carboxamide
Smiles: COc1cccc2c1o/c(=N\O)/c(c2)C(=O)Nc1cccc(c1C)C

STK041521
Synonyms: ethyl4- ({[5- (furan- 2- yl)- 2- thioxo- 1,3,4- oxadiazol- 3(2H)- yl]methyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NCn1nc(oc1=S)c1ccco1

STK041539
Synonyms: ethyl(2E)- 2- [2- (2- hydroxy- 5- methylphenyl)hydrazinylidene]- 3- oxobutanoate
Smiles: CCOC(=O)/C(=N/Nc1cc(C)ccc1O)/C(=O)C

STK041611
Synonyms: N- {4- bromo- 2- [morpholin- 4- yl(oxo)acetyl]phenyl}acetamide
Smiles: O=C(c1cc(Br)ccc1NC(=O)C)C(=O)N1CCOCC1

STK041674
Synonyms: 2- nitro- 14H- isoquino[4,3,2- kl]phenothiazin- 14- one
Smiles: O=c1c2cc(ccc2c2c3n1c1ccccc1sc3ccc2)[N+](=O)[O-]

STK041713
Synonyms: N- [(5- methylfuran- 2- yl)methyl]butanediamide
Smiles: Cc1ccc(o1)CNC(=O)CCC(=O)N

STK041728
Synonyms: 5- chloro- 2- methoxy- N- (pyridin- 3- yl)benzamide
Smiles: COc1ccc(cc1C(=O)Nc1cccnc1)Cl

STK041734
Synonyms: N- (furan- 2- ylcarbonyl)tyrosine
Smiles: OC(=O)C(NC(=O)c1ccco1)Cc1ccc(cc1)O

STK041755
Synonyms: methyl(2E)- {2- [(4,6- dimethylpyrimidin- 2- yl)amino]- 1- (4- methoxyphenyl)- 5- oxo- 1,5- dihydro- 4H- imidazol- 4- ylidene}ethanoate
Smiles: COC(=O)/C=C\1/N=C(N(C1=O)c1ccc(cc1)OC)Nc1nc(C)cc(n1)C

STK041778
Synonyms: (2E)- 1- (azepan- 1- yl)- 3- (4- nitrophenyl)prop- 2- en- 1- one
Smiles: O=C(N1CCCCCC1)/C=C/c1ccc(cc1)[N+](=O)[O-]

STK041787
Synonyms: 5- benzyl1- (6- oxo- 6H- benzo[c]chromen- 3- yl)N- [(benzyloxy)carbonyl]- D- glutamate
Smiles: O=C(N[C@@H](C(=O)Oc1ccc2c(c1)oc(=O)c1c2cccc1)CCC(=O)OCc1ccccc1)OCc1ccccc1

STK041807
Synonyms: N- (2- ethyl- 3- methylquinolin- 4- yl)pentanamide
Smiles: CCCCC(=O)Nc1c(C)c(CC)nc2c1cccc2

STK041823
Synonyms: 2,2'- [(3,4- dihydroxyphenyl)methanediyl]bis[5- (4- methoxyphenyl)cyclohexane- 1,3- dione]
Smiles: COc1ccc(cc1)C1CC(=O)C(C(=O)C1)C(C1C(=O)CC(CC1=O)c1ccc(cc1)OC)c1ccc(c(c1)O)O

STK041826
Synonyms: 7- hydroxy- 2- oxo- N- (4- phenyl- 1,3- thiazol- 2- yl)- 2H- chromene- 3- carboxamide
Smiles: Oc1ccc2c(c1)oc(=O)c(c2)C(=O)Nc1scc(n1)c1ccccc1

STK041842
Synonyms: N'- (3- cyclohexyl- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)acetohydrazide
Smiles: CC(=O)NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3

STK041866
Synonyms: N- [2- (3- bromo- 4- hydroxyphenyl)- 1,3- benzoxazol- 5- yl]- 3,4- dimethylbenzamide
Smiles: O=C(c1ccc(c(c1)C)C)Nc1ccc2c(c1)nc(o2)c1ccc(c(c1)Br)O

STK041867
Synonyms: (6Z)- 6- {3- bromo- 5- ethoxy- 4- [3- (3- methylphenoxy)propoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCCOc1cccc(c1)C)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK041882
Synonyms: (5Z)- 5- [(2E)- 3- phenylprop- 2- en- 1- ylidene]- 2- (piperidin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\C=C\c1ccccc1)N1CCCCC1

STK041883
Synonyms: 5- methyl- 3- [(4,6,7- trimethylquinazolin- 2- yl)amino]- 1H- 2,4- benzodiazepin- 1- one
Smiles: Cc1cc2c(C)nc(nc2cc1C)Nc1nc(=O)c2c(c(n1)C)cccc2

STK041896
Synonyms: N- butyl- 1- (pyridin- 2- ylmethyl)piperidine- 4- carboxamide
Smiles: CCCCNC(=O)C1CCN(CC1)Cc1ccccn1

STK041899
Synonyms: 2- (dimethylamino)ethyl(4- methylphenoxy)acetate
Smiles: CN(CCOC(=O)COc1ccc(cc1)C)C

STK041900
Synonyms: ethyl2- {[(E)- (3,4,5- trimethoxyphenyl)methylidene]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(/N=C/c2cc(OC)c(c(c2)OC)OC)sc2c1CCCC2

STK041911
Synonyms: (6Z)- 6- (benzylimino)- 5,5- diethyl- 3- methyldihydropyrimidine- 2,4(1H,3H)- dione
Smiles: CCC1(CC)/C(=N/Cc2ccccc2)/NC(=O)N(C1=O)C

STK041920
Synonyms: N- (2- ethyl- 3- methylquinolin- 4- yl)- 2- (4- methylpiperidin- 1- yl)acetamide
Smiles: CCc1nc2ccccc2c(c1C)NC(=O)CN1CCC(CC1)C

STK041952
Synonyms: N- [5- (1,3- benzoxazol- 2- yl)- 2- methoxyphenyl]- 2- (naphthalen- 2- yloxy)acetamide
Smiles: COc1ccc(cc1NC(=O)COc1ccc2c(c1)cccc2)c1nc2c(o1)cccc2

STK041960
Synonyms: 9- (2- methoxyethyl)- 9H- purin- 6- amine
Smiles: COCCn1cnc2c1ncnc2N

STK041962
Synonyms: 2- [(5- amino- 1,3,4- thiadiazol- 2- yl)sulfanyl]- 1- (4,4- dimethyl- 1- thioxo- 1,4- dihydro- 5H- [1,2]dithiolo[3,4- c]quinolin- 5- yl)ethanone
Smiles: O=C(N1c2ccccc2c2c(C1(C)C)ssc2=S)CSc1nnc(s1)N

STK041964
Synonyms: N- (2- {(2Z)- 2- [1- (1,3- benzodioxol- 5- ylmethyl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]hydrazinyl}- 2- oxoethyl)- 3- methoxybenzamide(non- preferredname)
Smiles: COc1cccc(c1)C(=O)NCC(=O)N/N=C/1\C(=O)N(c2c1cccc2)Cc1ccc2c(c1)OCO2

STK042002
Synonyms: N- tert- butyl- 1- (pyridin- 3- ylmethyl)piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)Cc1cccnc1)NC(C)(C)C

STK042013
Synonyms: methyl1- [(naphthalen- 2- yloxy)acetyl]- 1H- indole- 3- carboxylate
Smiles: COC(=O)c1cn(c2c1cccc2)C(=O)COc1ccc2c(c1)cccc2

STK042018
Synonyms: 2- [(pyridin- 2- ylmethyl)sulfanyl]- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydroquinoline- 3- carbonitrile
Smiles: N#Cc1c(SCc2ccccn2)nc2c(c1c1cccs1)CCCC2

STK042024
Synonyms: (2- chlorophenyl)(5,6- dimethyl- 1H- benzimidazol- 1- yl)methanone
Smiles: Clc1ccccc1C(=O)n1cnc2c1cc(C)c(c2)C

STK042057
Synonyms: 2,3- dichloro- N- ({1- [(3s,5s,7s)- tricyclo[3.3.1.1~3,7~]dec- 1- yl]ethyl}carbamothioyl)benzamide
Smiles: S=C(NC(=O)c1cccc(c1Cl)Cl)NC(C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3)C

STK042058
Synonyms: 2- benzyl[1,3]oxazolo[4,5- c]quinolin- 4(5H)- one
Smiles: O=c1[nH]c2ccccc2c2c1nc(o2)Cc1ccccc1

STK042068
Synonyms: 2- (3- chlorophenoxy)- N'- (2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)acetohydrazide
Smiles: O=C(COc1cccc(c1)Cl)NN=C1C(=O)NC(=O)NC1=O

STK042075
Synonyms: 1,4- diamino- 2- {[4- (2,4,6- trimethylphenyl)piperazin- 1- yl]carbonyl}anthracene- 9,10- dione
Smiles: Cc1cc(C)c(c(c1)C)N1CCN(CC1)C(=O)c1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1

STK042081
Synonyms: N- tert- butyl- N'- cyclododecylbutanediamide
Smiles: O=C(NC1CCCCCCCCCCC1)CCC(=O)NC(C)(C)C

STK042085
Synonyms: 4- hydroxy- 1- methyl- N- (5- methylpyridin- 2- yl)- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: Cc1ccc(nc1)NC(=O)c1c(O)c2ccccc2n(c1=O)C

STK042086
Synonyms: 4- [4- (4- chlorophenyl)- 4- hydroxypiperidin- 1- yl]- N,N- dimethyl- 2,2- diphenylbutanamide
Smiles: Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1

STK042089
Synonyms: N'- [(E)- (3- bromo- 4,5- dimethoxyphenyl)methylidene]- 2- (naphthalen- 1- ylamino)acetohydrazide(non- preferredname)
Smiles: COc1c(Br)cc(cc1OC)/C=N/NC(=O)CNc1cccc2c1cccc2

STK042092
Synonyms: 1- (5,6- dimethyl- 1H- benzimidazol- 1- yl)- 3,3- diphenylpropan- 1- one
Smiles: Cc1cc2ncn(c2cc1C)C(=O)CC(c1ccccc1)c1ccccc1

STK042124
Synonyms: 3- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 2- [(4- nitrobenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(C)C)CCCC3

STK042152
Synonyms: 5- amino- 1H- benzotriazol- 1- ol
Smiles: Nc1ccc2c(c1)nnn2O

STK042164
Synonyms: methyl6- bromo- 5- methoxy- 1- methyl- 2- (morpholin- 4- ylmethyl)- 1H- indole- 3- carboxylate
Smiles: COC(=O)c1c2cc(OC)c(cc2n(c1CN1CCOCC1)C)Br

STK042223
Synonyms: 4- chloro- N'- [(4- hexylcyclohexyl)carbonyl]benzohydrazide
Smiles: CCCCCCC1CCC(CC1)C(=O)NNC(=O)c1ccc(cc1)Cl

STK042247
Synonyms: benzyl[2- (5- methoxy- 1H- indol- 3- yl)ethyl]carbamate
Smiles: COc1ccc2c(c1)c(CCNC(=O)OCc1ccccc1)c[nH]2

STK042283
Synonyms: (2E)- 3- (1,3- benzodioxol- 5- yl)- N- (3- methoxyphenyl)prop- 2- enamide
Smiles: COc1cccc(c1)NC(=O)/C=C/c1ccc2c(c1)OCO2

STK042336
Synonyms: 3- amino- 1- ethyl- 5- phenyl- 1,2,4- triazin- 1- ium
Smiles: CC[n+]1cc(nc(n1)N)c1ccccc1

STK042350
Synonyms: 1,1,1- triphenylpropan- 2- one
Smiles: CC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1

STK042389
Synonyms: N- (1- hydroxy- 2- methylpropan- 2- yl)- 1- (4- methoxybenzyl)piperidine- 4- carboxamide
Smiles: OCC(NC(=O)C1CCN(CC1)Cc1ccc(cc1)OC)(C)C

STK042391
Synonyms: methyl5- (4- chlorophenyl)- 4,6- dioxo- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: COC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccc(cc1)Cl

STK042436
Synonyms: N- {2,5- dimethoxy- 4- [(phenylcarbonyl)amino]phenyl}- N'- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)butanediamide
Smiles: COc1cc(NC(=O)c2ccccc2)c(cc1NC(=O)CCC(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1)OC

STK042443
Synonyms: pyridin- 3- yl2- chlorobenzoate
Smiles: O=C(c1ccccc1Cl)Oc1cccnc1

STK042465
Synonyms: (4Z)- 2- (1,3- benzothiazol- 2- yl)- 4- (1- ethoxypropylidene)- 5- (trifluoromethyl)- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CCO/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/CC

STK042477
Synonyms: N- [3- (morpholin- 4- ylcarbonyl)- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl]furan- 2- carboxamide
Smiles: O=C(c1ccco1)Nc1sc2c(c1C(=O)N1CCOCC1)CCC2

STK042482
Synonyms: 4- nitro- 2- (1,3- thiazol- 2- yl)- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1N(c2nccs2)C(=O)c2c1c(ccc2)[N+](=O)[O-]

STK042490
Synonyms: 1- (3- chlorophenyl)pyrazolidin- 3- one
Smiles: O=C1CCN(N1)c1cccc(c1)Cl

STK042493
Synonyms: 2- [(4,6,7- trimethylquinazolin- 2- yl)amino]- 1H- imidazol- 5- ol
Smiles: Cc1cc2c(C)nc(nc2cc1C)Nc1ncc([nH]1)O

STK042499
Synonyms: N- (furan- 2- ylmethyl)- 1- [(3- methoxyphenyl)carbonyl]piperidine- 4- carboxamide
Smiles: COc1cccc(c1)C(=O)N1CCC(CC1)C(=O)NCc1ccco1

STK042504
Synonyms: methyl3- ({3- oxo- 2- [3- (propan- 2- yloxy)propyl]- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- yl}sulfanyl)propanoate
Smiles: COC(=O)CCSC1N(CCCOC(C)C)C(=O)C2=C1CCCC2

STK042505
Synonyms: 1- [(N- acetylalanyl)amino]- N- (2- methylphenyl)cyclopentanecarboxamide
Smiles: CC(=O)NC(C(=O)NC1(CCCC1)C(=O)Nc1ccccc1C)C

STK042541
Synonyms: 4- phenyl- 2,3- dihydro- 1,3- thiazol- 2- amine
Smiles: NC1SC=C(N1)c1ccccc1

STK042545
Synonyms: N- (3- chloro- 5- methoxyphenyl)- 3- (4- methylpiperazin- 1- yl)propanamide
Smiles: COc1cc(NC(=O)CCN2CCN(CC2)C)cc(c1)Cl

STK042549
Synonyms: N- {[2- (morpholin- 4- yl)phenyl]carbamothioyl}- 2- (2- nitrophenoxy)acetamide
Smiles: O=C(NC(=S)Nc1ccccc1N1CCOCC1)COc1ccccc1[N+](=O)[O-]

STK042579
Synonyms: 2- (3- methylphenoxy)- N- [(1- propyl- 1H- tetrazol- 5- yl)carbamothioyl]acetamide
Smiles: CCCn1nnnc1NC(=S)NC(=O)COc1cccc(c1)C

STK042580
Synonyms: 8- [(2E)- 2- (5- bromo- 1- methyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)hydrazinyl]- 3- methyl- 7- (2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Brc1ccc2c(c1)/C(=N\Nc1nc3c(n1CCc1ccccc1)c(=O)[nH]c(=O)n3C)/C(=O)N2C

STK042585
Synonyms: 4- (2- {[3- methyl- 2,6- dioxo- 7- (propan- 2- yl)- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]sulfanyl}ethoxy)benzoicacid
Smiles: OC(=O)c1ccc(cc1)OCCSc1nc2c(n1C(C)C)c(=O)[nH]c(=O)n2C

STK042590
Synonyms: [2- (6- chloro- 2- oxo- 2H- chromen- 3- yl)- 4- (4- ethylphenyl)- 1,3- thiazol- 5- yl]aceticacid
Smiles: CCc1ccc(cc1)c1nc(sc1CC(=O)O)c1cc2cc(Cl)ccc2oc1=O

STK042593
Synonyms: 2- methylquinolin- 8- yl4- (benzyloxy)benzoate
Smiles: Cc1ccc2c(n1)c(ccc2)OC(=O)c1ccc(cc1)OCc1ccccc1

STK042610
Synonyms: N'- [(E)- {4- [3- (2- methylphenoxy)propoxy]phenyl}methylidene]acetohydrazide
Smiles: CC(=O)N/N=C/c1ccc(cc1)OCCCOc1ccccc1C

STK042622
Synonyms: 1- (2- hydroxyphenyl)- 3- (2- methylphenyl)urea
Smiles: O=C(Nc1ccccc1O)Nc1ccccc1C

STK042649
Synonyms: 3- (dimethylamino)- 1- [4- (trifluoromethoxy)phenyl]propan- 1- one
Smiles: CN(CCC(=O)c1ccc(cc1)OC(F)(F)F)C

STK042666
Synonyms: 2,2'- (dodecylimino)diethanesulfonate
Smiles: CCCCCCCCCCCCN(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-]

STK042691
Synonyms: 2- [benzyl(3,4- dimethoxybenzyl)amino]ethanol
Smiles: OCCN(Cc1ccccc1)Cc1ccc(c(c1)OC)OC

STK042721
Synonyms: 2- (3,4- dichlorophenyl)- 7- methyl- 2,3,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(1H)- one
Smiles: CN1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(c(c1)Cl)Cl

STK042725
Synonyms: N'- {(E)- [4- (dimethylamino)phenyl]methylidene}- 3- methylbenzohydrazide
Smiles: Cc1cccc(c1)C(=O)N/N=C/c1ccc(cc1)N(C)C

STK042727
Synonyms: 2- bromo- N- (4- hydroxy- 2- methylquinolin- 6- yl)benzamide
Smiles: Cc1cc(O)c2c(n1)ccc(c2)NC(=O)c1ccccc1Br

STK042732
Synonyms: N- [4- (1,3- benzoxazol- 2- yl)phenyl]- 2- (4- chloro- 2- methylphenoxy)acetamide
Smiles: O=C(Nc1ccc(cc1)c1nc2c(o1)cccc2)COc1ccc(cc1C)Cl

STK042753
Synonyms: 8- [(4- aminobutyl)amino]- 9- pentofuranosyl- 1,9- dihydro- 6H- purin- 6- one
Smiles: NCCCCNc1nc2c(n1C1OC(C(C1O)O)CO)nc[nH]c2=O

STK042771
Synonyms: 2- (4- {(E)- [1- (4- ethylphenyl)- 4,6- dioxo- 2- thioxotetrahydropyrimidin- 5(2H)- ylidene]methyl}- 2- methoxyphenoxy)propanoicacid
Smiles: CCc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(c(c2)OC)OC(C(=O)O)C)/C1=O

STK042790
Synonyms: 1- (morpholin- 4- yl)- 3- (3- nitrophenyl)- 2- (2- oxopyridin- 1(2H)- yl)propane- 1,3- dione
Smiles: O=c1ccccn1C(C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)N1CCOCC1

STK042791
Synonyms: N- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbamothioyl)propanamide
Smiles: CCC(=O)NC(=S)NC12CC3CC(C2)CC(C1)C3

STK042802
Synonyms: 1- [(N- acetylglycyl)(benzyl)amino]- N- (2- methylphenyl)cyclohexanecarboxamide
Smiles: CC(=O)NCC(=O)N(C1(CCCCC1)C(=O)Nc1ccccc1C)Cc1ccccc1

STK042809
Synonyms: 3- benzyl- 8,8- dimethyl- 2- thioxo- 1,2,3,6,8,9- hexahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: S=c1[nH]c2nc3CC(C)(C)OCc3cc2c(=O)n1Cc1ccccc1

STK042814
Synonyms: 4- (benzyloxy)- N- (3- chloro- 4- fluorophenyl)benzamide
Smiles: O=C(c1ccc(cc1)OCc1ccccc1)Nc1ccc(c(c1)Cl)F

STK042859
Synonyms: 9- [(E)- (1- methylpyridin- 2(1H)- ylidene)methyl]acridine
Smiles: Cn1cccc/c/1=C\c1c2ccccc2nc2c1cccc2

STK042877
Synonyms: 4- methylphenyl4- {[2- (cyclohex- 1- en- 1- yl)ethyl]amino}- 4- oxobutanoate
Smiles: O=C(CCC(=O)Oc1ccc(cc1)C)NCCC1=CCCCC1

STK042892
Synonyms: 2- [methyl(propan- 2- yl)amino]ethyl(2- methylphenoxy)acetate
Smiles: O=C(COc1ccccc1C)OCCN(C(C)C)C

STK042898
Synonyms: 4- {(2Z)- 2- [3- (4- nitrophenyl)- 5- oxo- 1- phenyl- 1,5- dihydro- 4H- pyrazol- 4- ylidene]hydrazinyl}naphthalene- 1- sulfonicacid
Smiles: O=C1/C(=N\Nc2ccc(c3c2cccc3)S(=O)(=O)O)/C(=NN1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK042943
Synonyms: 2- {[carboxy(2,4- dichlorophenyl)methyl]carbamoyl}cyclohex- 1- ene- 1- carboxylicacid
Smiles: Clc1ccc(c(c1)Cl)C(C(=O)O)NC(=O)C1=C(CCCC1)C(=O)O

STK042965
Synonyms: 2- (5- ethyl- 2- methyl- 1H- indol- 3- yl)- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: CCc1ccc2c(c1)c(CC(=O)Nc1cccc(c1)C(F)(F)F)c([nH]2)C

STK042968
Synonyms: ethyl(2E)- 3- [2- (benzyloxy)- 5- bromophenyl]- 2- cyanoprop- 2- enoate
Smiles: CCOC(=O)/C(=C/c1cc(Br)ccc1OCc1ccccc1)/C#N

STK042983
Synonyms: N- (6- oxo- 1,2,3,6- tetrahydrochromeno[4,3- d]cyclopenta[b]pyridin- 5- yl)acetamide
Smiles: CC(=O)Nc1nc2CCCc2c2c1c(=O)oc1c2cccc1

STK042992
Synonyms: N- [2- cyano- 1- (4- methylphenyl)- 1H- benzo[f]chromen- 3- yl]benzamide
Smiles: N#CC1=C(NC(=O)c2ccccc2)Oc2c(C1c1ccc(cc1)C)c1ccccc1cc2

STK042999
Synonyms: (2E)- 3- [(2,5- dichlorophenyl)amino]- 1- (3,4,5- trimethoxyphenyl)prop- 2- en- 1- one
Smiles: COc1cc(cc(c1OC)OC)C(=O)/C=C/Nc1cc(Cl)ccc1Cl

STK043004
Synonyms: 2- {[1- (2,3- dimethylphenyl)- 3- methoxy- 3- oxopropyl]carbamoyl}cyclohexanecarboxylicacid
Smiles: COC(=O)CC(c1cccc(c1C)C)NC(=O)C1CCCCC1C(=O)O

STK043029
Synonyms: (1Z)- N'- {[(2- methoxyphenyl)carbonyl]oxy}- 2- (naphthalen- 1- yl)ethanimidamide
Smiles: COc1ccccc1C(=O)O/N=C(/Cc1cccc2c1cccc2)\N

STK043048
Synonyms: N- (1,3- benzothiazol- 2- yl)- 2- (naphthalen- 2- yloxy)acetamide
Smiles: O=C(Nc1nc2c(s1)cccc2)COc1ccc2c(c1)cccc2

STK043053
Synonyms: (5Z)- 5- (5- bromo- 2- hydroxy- 3- iodobenzylidene)imidazolidine- 2,4- dione
Smiles: O=C1NC(=O)/C(=C/c2cc(Br)cc(c2O)I)/N1

STK043092
Synonyms: (2E)- 2- (1- cyclopropylethylidene)- N- (4- ethoxyphenyl)hydrazinecarbothioamide
Smiles: CCOc1ccc(cc1)NC(=S)N/N=C(/C1CC1)\C

STK043115
Synonyms: N- (2- phenylethyl)- N'- (pyridin- 3- yl)butanediamide
Smiles: O=C(CCC(=O)Nc1cccnc1)NCCc1ccccc1

STK043119
Synonyms: (4Z)- 2- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 4- [2- (4- methoxy- 2- nitrophenyl)hydrazinylidene]- 5- methyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: COc1ccc(c(c1)[N+](=O)[O-])N/N=C\1/C(=NN(C1=O)c1scc(n1)c1ccc(cc1)Cl)C

STK043170
Synonyms: N- cyclopentyl- N'- (1,3- thiazol- 2- yl)ethanediamide
Smiles: O=C(C(=O)NC1CCCC1)Nc1nccs1

STK043234
Synonyms: (3Z)- 5- methoxy- 3- [(2E)- (5- phenyl- 4,5- dihydro- 3H- pyrazol- 3- ylidene)hydrazinylidene]- 1,3- dihydro- 2H- indol- 2- one
Smiles: COc1ccc2c(c1)/C(=N/N=C\1/N=NC(C1)c1ccccc1)/C(=O)N2

STK043236
Synonyms: 2- {[(7E)- 7- (4- methoxybenzylidene)- 3- (4- methoxyphenyl)- 3,3a,4,5,6,7- hexahydro- 2H- indazol- 2- yl]carbonyl}benzoicacid
Smiles: COc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OC)C(=O)c1ccccc1C(=O)O

STK043239
Synonyms: (6Z)- 6- [4- (benzyloxy)- 3- chloro- 5- methoxybenzylidene]- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCc1ccccc1)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK043295
Synonyms: methyl(1S,2R,3R,8aS)- 6- acetyl- 3- carbamoyl- 1- cyano- 2- (3- fluorophenyl)- 1,2,3,8a- tetrahydroindolizine- 1- carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1cccc(c1)F)C(=O)N)C(=O)C

STK043304
Synonyms: benzyl4- [2- (diethylamino)ethyl]- 3- methyl- 1H- pyrrole- 2- carboxylate
Smiles: CCN(CCc1c[nH]c(c1C)C(=O)OCc1ccccc1)CC

STK043318
Synonyms: (3,4- dimethoxyphenyl)(5- methylfuran- 2- yl)methanol
Smiles: COc1cc(ccc1OC)C(c1ccc(o1)C)O

STK043321
Synonyms: {2- [(4- chlorophenyl)amino]- 4- phenyl- 1,3- thiazol- 5- yl}aceticacid
Smiles: OC(=O)Cc1sc(nc1c1ccccc1)Nc1ccc(cc1)Cl

STK043334
Synonyms: 2- (1,3- benzothiazol- 2- yl)- 5- cyclopropyl- 5- methyl- 1,2,4- triazolidine- 3- thione
Smiles: S=C1NC(NN1c1nc2c(s1)cccc2)(C)C1CC1

STK043360
Synonyms: 2- (2- bromo- 4- nitrophenoxy)acetohydrazide
Smiles: NNC(=O)COc1ccc(cc1Br)[N+](=O)[O-]

STK043369
Synonyms: N- [(E)- (2,4- dimethoxyphenyl)methylidene]- 2- (5- methoxy- 1H- indol- 3- yl)ethanamine
Smiles: COc1ccc(c(c1)OC)/C=N/CCc1c[nH]c2c1cc(OC)cc2

STK043384
Synonyms: (2E)- 3- (4- chloro- 3- nitrophenyl)- N- [(5- iodopyridin- 2- yl)carbamothioyl]prop- 2- enamide
Smiles: O=C(NC(=S)Nc1ccc(cn1)I)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl

STK043400
Synonyms: 2- (5- {(Z)- [(2Z)- 3- ethyl- 2- (ethylimino)- 4- oxo- 1,3- thiazolidin- 5- ylidene]methyl}furan- 2- yl)benzoicacid
Smiles: CC/N=C/1\S/C(=C\c2ccc(o2)c2ccccc2C(=O)O)/C(=O)N1CC

STK043422
Synonyms: (2E)- 3- (5- chloro- 2- {2- [2- methoxy- 4- (prop- 2- en- 1- yl)phenoxy]ethoxy}phenyl)- 2- cyano- N- (3- methylphenyl)prop- 2- enamide
Smiles: C=CCc1ccc(c(c1)OC)OCCOc1ccc(cc1/C=C(/C(=O)Nc1cccc(c1)C)\C#N)Cl

STK043424
Synonyms: 6- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- N- phenyl- 1,3,5- triazine- 2,4- diamine
Smiles: Nc1nc(CSc2nc3c(s2)cccc3)nc(n1)Nc1ccccc1

STK043426
Synonyms: naphthalen- 2- yl({[(1E,2E)- 3- (2- nitrophenyl)- 1- phenylprop- 2- en- 1- ylidene]amino}oxy)methanone
Smiles: O=C(c1ccc2c(c1)cccc2)O/N=C(/c1ccccc1)\C=C\c1ccccc1[N+](=O)[O-]

STK043474
Synonyms: 1- [4- (trifluoromethyl)benzyl]piperidine- 4- carboxylicacid
Smiles: OC(=O)C1CCN(CC1)Cc1ccc(cc1)C(F)(F)F

STK043509
Synonyms: 3- (4- methoxyphenyl)- 1H- pyrrole- 2,5- dione
Smiles: COc1ccc(cc1)C1=CC(=O)NC1=O

STK043536
Synonyms: (2Z)- 2- ({2- methyl- 1- [2- (3- methylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)[1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: Cc1cccc(c1)OCCn1c(C)c(c2c1cccc2)/C=c/1\sc2n(c1=O)c1c(n2)cccc1

STK043580
Synonyms: 4- [4- nitro- 3- (pyrrolidin- 1- yl)phenyl]morpholine
Smiles: [O-][N+](=O)c1ccc(cc1N1CCCC1)N1CCOCC1

STK043617
Synonyms: N- cyclohexyl- N'- (4- fluorobenzyl)butanediamide
Smiles: O=C(NCc1ccc(cc1)F)CCC(=O)NC1CCCCC1

STK043630
Synonyms: ethyl4- (2,4- dioxo- 3,4- dihydropyrimidin- 1(2H)- yl)cyclohex- 1- ene- 1- carboxylate
Smiles: CCOC(=O)C1=CCC(CC1)n1ccc(=O)[nH]c1=O

STK043633
Synonyms: (4- methoxyphenyl)(phenyl)bromonium
Smiles: COc1ccc(cc1)[Br+]c1ccccc1

STK043636
Synonyms: 4- (4- chlorophenyl)- 2- (4- methoxyphenyl)- 1,4- dihydropyrimido[1,2- a]benzimidazole
Smiles: COc1ccc(cc1)C1=CC(n2c(N1)nc1c2cccc1)c1ccc(cc1)Cl

STK043665
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- N'- [3- (morpholin- 4- yl)propyl]butanediamide
Smiles: COc1cc(CCNC(=O)CCC(=O)NCCCN2CCOCC2)ccc1OC

STK043666
Synonyms: N- (naphthalen- 1- yl)- 2- [(2Z)- 4- oxo- 2- (prop- 2- en- 1- ylimino)- 1,3- thiazolidin- 5- yl]acetamide
Smiles: C=CC/N=C\1/NC(=O)C(S1)CC(=O)Nc1cccc2c1cccc2

STK043668
Synonyms: N- (4- chlorophenyl)- 6- nitro- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK043672
Synonyms: ethyl(2E)- 3- (3- chloro- 5- ethoxy- 4- {2- [2- methoxy- 4- (prop- 2- en- 1- yl)phenoxy]ethoxy}phenyl)- 2- cyanoprop- 2- enoate
Smiles: CCOC(=O)/C(=C/c1cc(Cl)c(c(c1)OCC)OCCOc1ccc(cc1OC)CC=C)/C#N

STK043687
Synonyms: N- (2- methoxyethyl)- 2- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)hydrazinecarbothioamide
Smiles: COCCNC(=S)NNC(=O)C12CC3CC(C2)CC(C1)C3

STK043688
Synonyms: N- (2- chloro- 4- nitrophenyl)ethane- 1,2- diamine
Smiles: NCCNc1ccc(cc1Cl)[N+](=O)[O-]

STK043700
Synonyms: dimethyl5- {[(thiophen- 2- ylcarbonyl)carbamothioyl]amino}benzene- 1,3- dicarboxylate
Smiles: COC(=O)c1cc(NC(=S)NC(=O)c2cccs2)cc(c1)C(=O)OC

STK043706
Synonyms: N- [5- (1,3- benzothiazol- 2- yl)- 2- methylphenyl]- 4- propoxybenzamide
Smiles: CCCOc1ccc(cc1)C(=O)Nc1cc(ccc1C)c1nc2c(s1)cccc2

STK043716
Synonyms: N- carbamimidoyl- 4- {[(1E)- 3- (4- methylphenyl)- 3- oxoprop- 1- en- 1- yl]amino}benzenesulfonamide
Smiles: NC(=N)NS(=O)(=O)c1ccc(cc1)N/C=C/C(=O)c1ccc(cc1)C

STK043733
Synonyms: 1- (1,3- benzodioxol- 5- ylmethyl)- N- [2- (dimethylamino)ethyl]piperidine- 4- carboxamide
Smiles: CN(CCNC(=O)C1CCN(CC1)Cc1ccc2c(c1)OCO2)C

STK043772
Synonyms: 2- (4- heptylphenyl)- 5- (4- propylphenyl)- 1,3,4- thiadiazole
Smiles: CCCCCCCc1ccc(cc1)c1nnc(s1)c1ccc(cc1)CCC

STK043811
Synonyms: 1- (4- methoxyphenyl)- 4- (3- methylphenoxy)phthalazine
Smiles: COc1ccc(cc1)c1nnc(c2c1cccc2)Oc1cccc(c1)C

STK043856
Synonyms: (2E)- 4- {[1- (4- chlorophenyl)- 2,5- dioxopyrrolidin- 3- yl](4- methoxybenzyl)amino}- 4- oxobut- 2- enoicacid
Smiles: COc1ccc(cc1)CN(C1CC(=O)N(C1=O)c1ccc(cc1)Cl)C(=O)/C=C/C(=O)O

STK043879
Synonyms: N- (3- ethoxypropyl)- 1- (4- ethylbenzyl)piperidine- 4- carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)Cc1ccc(cc1)CC

STK043904
Synonyms: 4- [(3,4- dichlorophenyl)amino]- 4- oxo- 3- (tetrahydrofuran- 2- yl)butanoicacid
Smiles: OC(=O)CC(C(=O)Nc1ccc(c(c1)Cl)Cl)C1CCCO1

STK043915
Synonyms: 2- ethyl- 3- methyl- 1- {[2- (piperazin- 1- yl)ethyl]amino}pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1NCCN1CCNCC1)c1ccccc1n2

STK043922
Synonyms: 2- [(pyridin- 3- ylcarbonyl)amino]benzoicacid
Smiles: O=C(c1cccnc1)Nc1ccccc1C(=O)O

STK043928
Synonyms: 1- benzyl- N- (3- bromobenzyl)- 1H- indole- 2- carboxamide
Smiles: Brc1cccc(c1)CNC(=O)c1cc2c(n1Cc1ccccc1)cccc2

STK043945
Synonyms: 1- (2,4- dichlorobenzyl)- 3,7- dimethyl- 8- (prop- 2- en- 1- yloxy)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C=CCOc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1Cl)Cl

STK043964
Synonyms: 2- (1,3- benzothiazol- 2- ylamino)- N- (2- chlorophenyl)- 6- oxo- 1,4,5,6- tetrahydropyrimidine- 4- carboxamide
Smiles: O=C1NC(=NC(C1)C(=O)Nc1ccccc1Cl)Nc1nc2c(s1)cccc2

STK043979
Synonyms: methylN- {[5- (4- fluorophenyl)furan- 2- yl]carbonyl}leucinate
Smiles: COC(=O)C(NC(=O)c1ccc(o1)c1ccc(cc1)F)CC(C)C

STK043984
Synonyms: [(7E)- 7- (4- ethoxybenzylidene)- 3- (4- ethoxyphenyl)- 3,3a,4,5,6,7- hexahydro- 2H- indazol- 2- yl](pyridin- 2- yl)methanone
Smiles: CCOc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)c1ccccn1

STK044012
Synonyms: 4- methyl- N,N- bis(2- methylpropyl)- 3- nitrobenzenesulfonamide
Smiles: CC(CN(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC(C)C)C

STK044080
Synonyms: ethyl(2Z)- 2- cyano- 3- [2,2- dimethyl- 4- (morpholin- 4- yl)- 5,6- dihydro- 2H- pyran- 3- yl]prop- 2- enoate
Smiles: CCOC(=O)/C(=C\C1=C(CCOC1(C)C)N1CCOCC1)/C#N

STK044087
Synonyms: 3,5- bis[(3- cyanophenyl)carbamoyl]phenylhydrogencarbonate
Smiles: N#Cc1cccc(c1)NC(=O)c1cc(OC(=O)O)cc(c1)C(=O)Nc1cccc(c1)C#N

STK044125
Synonyms: 2- chloro- 5- {[(3- methylbutanoyl)carbamothioyl]amino}benzoicacid
Smiles: CC(CC(=O)NC(=S)Nc1ccc(c(c1)C(=O)O)Cl)C

STK044126
Synonyms: 1,2,3- trimethyl- 2- phenyl- 2,3- dihydro- 1H- benzimidazole
Smiles: CN1c2ccccc2N(C1(C)c1ccccc1)C

STK044127
Synonyms: 2- {[1- (2,4- dichlorophenyl)- 2- methoxy- 2- oxoethyl]carbamoyl}cyclohexanecarboxylicacid
Smiles: COC(=O)C(c1ccc(cc1Cl)Cl)NC(=O)C1CCCCC1C(=O)O

STK044143
Synonyms: 2- (5- amino- 1,3,4- thiadiazol- 2- yl)- N'- [(E)- {3- [2- (3- methylphenoxy)ethoxy]phenyl}methylidene]acetohydrazide
Smiles: O=C(Cc1nnc(s1)N)N/N=C/c1cccc(c1)OCCOc1cccc(c1)C

STK044150
Synonyms: 1,3- dimethyl- 7- (naphthalen- 1- ylmethyl)- 8- (prop- 2- en- 1- yloxy)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: C=CCOc1nc2c(n1Cc1cccc3c1cccc3)c(=O)n(c(=O)n2C)C

STK044188
Synonyms: N- [2,5- dioxo- 1- (4- propoxyphenyl)pyrrolidin- 3- yl]- N- (furan- 2- ylmethyl)acetamide
Smiles: CCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)C)Cc1ccco1

STK044191
Synonyms: 8- chloro- 3- propyl- 2,3,3a,4,5,6- hexahydro- 1H- pyrazino[3,2,1- jk]carbazole
Smiles: CCCN1CCn2c3C1CCCc3c1c2ccc(c1)Cl

STK044198
Synonyms: 3- amino- 7- methyl- 2- (phenylamino)- 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)Nc1ccccc1)N

STK044217
Synonyms: 9- nitroanthracene
Smiles: [O-][N+](=O)c1c2ccccc2cc2c1cccc2

STK044224
Synonyms: (9- oxoacridin- 10(9H)- yl)aceticacid
Smiles: OC(=O)Cn1c2ccccc2c(=O)c2c1cccc2

STK044232
Synonyms: N'- [(1E)- 1- (2,4- dihydroxyphenyl)ethylidene]- 2- iodobenzohydrazide
Smiles: Oc1ccc(c(c1)O)/C(=N/NC(=O)c1ccccc1I)/C

STK044246
Synonyms: 1H- benzimidazol- 1- yl(morpholin- 4- yl)methanone
Smiles: O=C(n1cnc2c1cccc2)N1CCOCC1

STK044283
Synonyms: (2E)- 2- {4- [(4- chlorobenzyl)oxy]- 3- iodo- 5- methoxybenzylidene}hydrazinecarboxamide
Smiles: COc1cc(/C=N/NC(=O)N)cc(c1OCc1ccc(cc1)Cl)I

STK044320
Synonyms: N- [(E)- {3- [2- (2- methoxyphenoxy)ethoxy]phenyl}methylidene]- 4H- 1,2,4- triazol- 3- amine
Smiles: COc1ccccc1OCCOc1cccc(c1)/C=N/c1nnc[nH]1

STK044339
Synonyms: 2- chloro- 5- (5- {(Z)- [(2Z)- 4- oxo- 2- (phenylimino)- 3- propyl- 1,3- thiazolidin- 5- ylidene]methyl}furan- 2- yl)benzoicacid
Smiles: CCCN1/C(=N/c2ccccc2)/S/C(=C\c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)/C1=O

STK044344
Synonyms: 2- ({[5- (2,4- dichlorophenyl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}methyl)- 1H- benzimidazole
Smiles: Clc1ccc(c(c1)Cl)c1nnc(o1)SCc1nc2c([nH]1)cccc2

STK044351
Synonyms: 1- [(2- {[(2- bromophenyl)carbonyl]amino}phenyl)carbonyl]piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)C(=O)c1ccccc1NC(=O)c1ccccc1Br

STK044389
Synonyms: (3E)- 3- [2- (furan- 2- ylcarbonyl)hydrazinylidene]- N- phenylbutanamide
Smiles: O=C(C/C(=N/NC(=O)c1ccco1)/C)Nc1ccccc1

STK044390
Synonyms: disodium3- (furan- 2- yl)- 2- [(piperidin- 1- ylmethyl)phosphinato]propanoate
Smiles: [Na]OC(=O)C(P(=O)(CN1CCCCC1)O[Na])Cc1ccco1

STK044408
Synonyms: 2- bromo- N- (tricyclo[3.3.1.1~3,7~]dec- 2- ylcarbamothioyl)benzamide
Smiles: S=C(NC(=O)c1ccccc1Br)NC1C2CC3CC1CC(C2)C3

STK044426
Synonyms: (2Z)- 2- [(3- methoxyphenyl)imino]- N- (3- methylphenyl)- 2H- chromene- 3- carboxamide
Smiles: COc1cccc(c1)/N=c/1\oc2ccccc2cc1C(=O)Nc1cccc(c1)C

STK044449
Synonyms: N- [2- (3- bromophenyl)- 1,3- benzoxazol- 5- yl]pyridine- 3- carboxamide
Smiles: Brc1cccc(c1)c1nc2c(o1)ccc(c2)NC(=O)c1cccnc1

STK044461
Synonyms: 2- methyl- N- (4- methylhepta- 1,6- dien- 4- yl)benzamide
Smiles: C=CCC(NC(=O)c1ccccc1C)(CC=C)C

STK044500
Synonyms: 1- (3- ethoxy- 4- hydroxybenzyl)- N- (1- methoxypropan- 2- yl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1ccc(c(c1)OCC)O)C

STK044504
Synonyms: N- [(E)- 1H- indol- 3- ylmethylidene]- 3,5- dimethylaniline
Smiles: Cc1cc(C)cc(c1)/N=C/c1c[nH]c2c1cccc2

STK044506
Synonyms: N- (3- cyano- 5- methyl- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)- 2,2- diphenylacetamide
Smiles: N#Cc1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CC(C)CC2

STK044544
Synonyms: N- (2- {[1- (1- acetyl- 1H- indol- 3- yl)- 2- nitroethyl]sulfanyl}ethyl)- 4- nitrobenzamide
Smiles: [O-][N+](=O)CC(c1cn(c2c1cccc2)C(=O)C)SCCNC(=O)c1ccc(cc1)[N+](=O)[O-]

STK044550
Synonyms: N'- [(E)- (4- {3- [4- (butan- 2- yl)phenoxy]propoxy}- 3- ethoxyphenyl)methylidene]acetohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)C)ccc1OCCCOc1ccc(cc1)C(CC)C

STK044556
Synonyms: 1- [4- (4- chlorophenyl)- 2,2,4- trimethyl- 3,4- dihydroquinolin- 1(2H)- yl]- 2- (4- methylphenoxy)ethanone
Smiles: Cc1ccc(cc1)OCC(=O)N1c2ccccc2C(CC1(C)C)(C)c1ccc(cc1)Cl

STK044561
Synonyms: N'- [1- (4- fluorobenzyl)- 3,4- dimethyl- 5- oxo- 2,5- dihydro- 1H- pyrrol- 2- yl]- 3- methyl- 4- nitrobenzohydrazide
Smiles: Fc1ccc(cc1)CN1C(NNC(=O)c2ccc(c(c2)C)[N+](=O)[O-])C(=C(C1=O)C)C

STK044602
Synonyms: 2- [(2E)- 2- (4- bromobenzylidene)hydrazinyl]- 5- butyl- 1,3- thiazol- 4(5H)- one
Smiles: CCCCC1SC(=NC1=O)N/N=C/c1ccc(cc1)Br

STK044626
Synonyms: 2- [(4- methylphenyl)amino]acetohydrazide(non- preferredname)
Smiles: NNC(=O)CNc1ccc(cc1)C

STK044665
Synonyms: 5'- amino- 4''- bromo- 3- hydroxy- 1,1':3',1''- terphenyl- 4',6'- dicarbonitrile
Smiles: N#Cc1c(cc(c(c1N)C#N)c1cccc(c1)O)c1ccc(cc1)Br

STK044692
Synonyms: 1- (1,3- benzothiazol- 2- yl)- 3- phenyl- 5- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 5- ol
Smiles: OC1(CC(=NN1c1nc2c(s1)cccc2)c1ccccc1)C(F)(F)F

STK044717
Synonyms: 2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 1- {4- [(4- methylpiperazin- 1- yl)carbonyl]piperidin- 1- yl}- 3- phenylpropane- 1,3- dione
Smiles: CN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1

STK044719
Synonyms: 1- (4- fluorophenyl)- 2- (2- oxopyridin- 1(2H)- yl)- 3- [4- (piperidin- 1- ylcarbonyl)piperidin- 1- yl]propane- 1,3- dione
Smiles: Fc1ccc(cc1)C(=O)C(n1ccccc1=O)C(=O)N1CCC(CC1)C(=O)N1CCCCC1

STK044741
Synonyms: (4E)- 4- [2- (4- chlorophenyl)hydrazinylidene]- 3- (4- nitrophenyl)- 5- oxo- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: Clc1ccc(cc1)N/N=C/1\C(=NN(C1=O)C(=S)N)c1ccc(cc1)[N+](=O)[O-]

STK044756
Synonyms: 2- ({4- [ethyl(phenyl)amino]phenyl}amino)naphthalene- 1,4- dione
Smiles: CCN(c1ccccc1)c1ccc(cc1)NC1=CC(=O)c2c(C1=O)cccc2

STK044760
Synonyms: ethyl(E)- N- [(2- hydroxy- 5- methylphenyl)(phenyl)methylidene]glycinate
Smiles: CCOC(=O)C/N=C(/c1cc(C)ccc1O)\c1ccccc1

STK044801
Synonyms: 2- [(1,3- dimethyl- 2,6- dioxo- 2,3,6,9- tetrahydro- 1H- purin- 8- yl)sulfanyl]- N- (3- fluorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nc2c([nH]1)n(C)c(=O)n(c2=O)C

STK044814
Synonyms: (4Z)- 4- [2- (3- hydroxyphenyl)hydrazinylidene]- 5- oxo- 3- phenyl- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: Oc1cccc(c1)N/N=C/1\C(=O)N(N=C1c1ccccc1)C(=S)N

STK044839
Synonyms: 3- tert- butyl- 5- phenyl- 1H- tetrazol- 3- ium
Smiles: CC([n+]1nc([nH]n1)c1ccccc1)(C)C

STK044861
Synonyms: 4,6- dimethyl- N- (4- methyl- 6- phenylpyrimidin- 2- yl)quinazolin- 2- amine
Smiles: Cc1nc(Nc2nc(C)c3c(n2)ccc(c3)C)nc(c1)c1ccccc1

STK044906
Synonyms: (4E)- 4- (hydroxyimino)- 2- (4- methoxyphenyl)- 4,5,6,7- tetrahydro- 1H- benzimidazol- 1- ol
Smiles: O/N=C/1\CCCc2c1nc(n2O)c1ccc(cc1)OC

STK044926
Synonyms: ethyl(2E)- 3- {1- [2- (4- chloro- 2- methylphenoxy)ethyl]- 1H- indol- 3- yl}- 2- cyanoprop- 2- enoate
Smiles: CCOC(=O)/C(=C/c1cn(c2c1cccc2)CCOc1ccc(cc1C)Cl)/C#N

STK044933
Synonyms: 2- [(E)- 2- (1H- indol- 3- yl)ethenyl]quinoline- 4- carboxylicacid
Smiles: OC(=O)c1cc(/C=C/c2c[nH]c3c2cccc3)nc2c1cccc2

STK044949
Synonyms: 14,14'- hexane- 1,6- diylbis(7- phenyldibenzo[c,h]acridinium)diperchlorate
Smiles: c1ccc(cc1)c1c2ccc3c(c2[n+](c2c1ccc1c2cccc1)CCCCCC[n+]1c2c(ccc4c2cccc4)c(c2c1c1ccccc1cc2)c1ccccc1)cccc3.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O

STK044957
Synonyms: 2- [1- methyl- 3- (phenylsulfanyl)- 1H- indol- 2- yl]- N- [2- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(F)(F)F)Cc1c(Sc2ccccc2)c2c(n1C)cccc2

STK044997
Synonyms: 2- (4- methylphenyl)- 5- (naphthalen- 2- yl)- 4- phenyl- 1H- imidazole
Smiles: Cc1ccc(cc1)c1[nH]c(c(n1)c1ccccc1)c1ccc2c(c1)cccc2

STK045047
Synonyms: (4- {(Z)- [(2Z)- 4- oxo- 3- (2- phenylethyl)- 2- (phenylimino)- 1,3- thiazolidin- 5- ylidene]methyl}phenoxy)aceticacid
Smiles: OC(=O)COc1ccc(cc1)/C=C/1\S/C(=N\c2ccccc2)/N(C1=O)CCc1ccccc1

STK045060
Synonyms: 1'- (6- chloro- 2- oxo- 4- phenyl- 1,2- dihydroquinolin- 3- yl)- 1,4'- bipiperidine- 4'- carboxamide
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)N1CCC(CC1)(C(=O)N)N1CCCCC1

STK045065
Synonyms: methyl(2- bromo- 4- {(E)- [1- (3- chlorophenyl)- 2,5- dioxoimidazolidin- 4- ylidene]methyl}- 6- ethoxyphenoxy)acetate
Smiles: CCOc1cc(/C=C\2/NC(=O)N(C2=O)c2cccc(c2)Cl)cc(c1OCC(=O)OC)Br

STK045067
Synonyms: disodium2- ({[(2- ethoxy- 2- oxoethyl)(methyl)amino]methyl}phosphinato)- 3- (furan- 2- yl)propanoate
Smiles: CCOC(=O)CN(CP(=O)(C(C(=O)O[Na])Cc1ccco1)O[Na])C

STK045071
Synonyms: N'- (acridin- 9- yl)- 2- (morpholin- 4- yl)acetohydrazide
Smiles: O=C(CN1CCOCC1)NNc1c2ccccc2nc2c1cccc2

STK045091
Synonyms: N'- (3- chlorophenyl)- N'- methyl- 2- phenylacetohydrazide
Smiles: O=C(NN(c1cccc(c1)Cl)C)Cc1ccccc1

STK045116
Synonyms: 4- {[(2E)- 2- cyano- 3- (naphthalen- 1- yl)prop- 2- enoyl]amino}benzoicacid
Smiles: N#C/C(=C\c1cccc2c1cccc2)/C(=O)Nc1ccc(cc1)C(=O)O

STK045119
Synonyms: N- cyclopentyl- 1- [3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanoyl]piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])NC1CCCC1

STK045145
Synonyms: 2- bromo- N- [7- (phenylcarbonyl)- 2,3- dihydro- 1,4- benzodioxin- 6- yl]acetamide
Smiles: BrCC(=O)Nc1cc2OCCOc2cc1C(=O)c1ccccc1

STK045158
Synonyms: 10- benzyl- 2,3,4,10- tetrahydropyrimido[1,2- a]benzimidazole
Smiles: c1ccc(cc1)Cn1c2ccccc2n2c1=NCCC2

STK045169
Synonyms: N- [2- (3- bromophenyl)- 1,3- benzoxazol- 5- yl]- 4- iodobenzamide
Smiles: Ic1ccc(cc1)C(=O)Nc1ccc2c(c1)nc(o2)c1cccc(c1)Br

STK045199
Synonyms: propan- 2- yl(2Z)- 3- amino- 3- phenylprop- 2- enoate
Smiles: CC(OC(=O)/C=C(/c1ccccc1)\N)C

STK045200
Synonyms: 2- [benzyl(pyridin- 3- ylmethyl)amino]ethanol
Smiles: OCCN(Cc1cccnc1)Cc1ccccc1

STK045210
Synonyms: 2- (4- butoxyphenyl)- 1,3- benzoxazole
Smiles: CCCCOc1ccc(cc1)c1nc2c(o1)cccc2

STK045223
Synonyms: 2,5- dichloro- N- [2- (4- methylphenyl)- 2H- benzotriazol- 5- yl]benzamide
Smiles: Cc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=O)c1cc(Cl)ccc1Cl

STK045241
Synonyms: (5E)- 5- (5- bromo- 3- ethoxy- 2- hydroxybenzylidene)- 2- thioxoimidazolidin- 4- one
Smiles: CCOc1cc(Br)cc(c1O)/C=C\1/NC(=S)NC1=O

STK045246
Synonyms: 5- chloro- 2- (furan- 2- yl)- 1,3- benzoxazole
Smiles: Clc1ccc2c(c1)nc(o2)c1ccco1

STK045265
Synonyms: {2- [(4- ethoxyphenyl)amino]- 4- phenyl- 1,3- thiazol- 5- yl}aceticacid
Smiles: CCOc1ccc(cc1)Nc1sc(c(n1)c1ccccc1)CC(=O)O

STK045266
Synonyms: 4- {(E)- [(3,4- dimethylphenyl)imino]methyl}benzene- 1,2- diol
Smiles: Cc1cc(/N=C/c2ccc(c(c2)O)O)ccc1C

STK045268
Synonyms: N- (6- hydroxy- 6- methylheptan- 2- yl)- 1- (pyridin- 2- ylmethyl)piperidine- 4- carboxamide
Smiles: CC(NC(=O)C1CCN(CC1)Cc1ccccn1)CCCC(O)(C)C

STK045276
Synonyms: N- [4- (5,6- dihydroimidazo[2,1- b][1,3]thiazol- 3- yl)- 3- propoxyphenyl]acetamide
Smiles: CCCOc1cc(ccc1c1csc2=NCCn12)NC(=O)C

STK045298
Synonyms: 2- chloro- 4- ({[(3,5- dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: COc1cc(OC)cc(c1)C(=O)NC(=S)Nc1ccc(c(c1)Cl)C(=O)O

STK045309
Synonyms: (3E)- N- (6- methylpyridin- 2- yl)- 3- [2- (3- phenylpropanoyl)hydrazinylidene]butanamide
Smiles: O=C(N/N=C(/CC(=O)Nc1cccc(n1)C)\C)CCc1ccccc1

STK045322
Synonyms: 2,5- dichloro- N- (4- phenyl- 1,3- thiazol- 2- yl)benzenesulfonamide
Smiles: Clc1ccc(c(c1)S(=O)(=O)Nc1scc(n1)c1ccccc1)Cl

STK045366
Synonyms: N,N'- naphthalene- 2,3- diyldicyclopropanecarboxamide
Smiles: O=C(C1CC1)Nc1cc2ccccc2cc1NC(=O)C1CC1

STK045375
Synonyms: (5Z)- 5- (2,3- dimethoxybenzylidene)- 3- phenyl- 1,3- thiazolidine- 2,4- dione
Smiles: COc1c(cccc1OC)/C=C/1\SC(=O)N(C1=O)c1ccccc1

STK045402
Synonyms: 2- (4- methylphenoxy)- N- [(3- methylpyridin- 2- yl)carbamothioyl]acetamide
Smiles: O=C(NC(=S)Nc1ncccc1C)COc1ccc(cc1)C

STK045404
Synonyms: 2- [(2,6,8- trimethylquinolin- 4- yl)amino]benzoicacid
Smiles: Cc1cc(C)c2c(c1)c(cc(n2)C)Nc1ccccc1C(=O)O

STK045408
Synonyms: 4'- {[(E)- cyclohexylmethylidene]amino}- 1'H- spiro[cyclopentane- 1,2'- naphthalene]- 3'- carbonitrile
Smiles: N#CC1=C(/N=C/C2CCCCC2)c2ccccc2CC21CCCC2

STK045410
Synonyms: cyclohexyl(3,4- dihydropyrimido[1,2- a]benzimidazol- 1(2H)- yl)methanone
Smiles: O=C(N1CCCn2c1nc1c2cccc1)C1CCCCC1

STK045413
Synonyms: 4- [(3,4- dimethylphenoxy)methyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)COc1ccc(c(c1)C)C

STK045435
Synonyms: (2E)- 3- [(2- methoxy- 4- nitrophenyl)amino]- 1- (pyridin- 3- yl)but- 2- en- 1- one
Smiles: COc1cc(ccc1N/C(=C/C(=O)c1cccnc1)/C)[N+](=O)[O-]

STK045441
Synonyms: (2Z)- 8- methoxy- 2- (pyridin- 3- ylimino)- 2H- chromene- 3- carboxamide
Smiles: COc1cccc2c1o/c(=N\c1cccnc1)/c(c2)C(=O)N

STK045454
Synonyms: 2- [(1,3- dimethyl- 2- oxo- 2,3- dihydro- 1H- benzimidazol- 5- yl)methylidene]- 1H- indene- 1,3(2H)- dione
Smiles: O=C1/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)/C(=O)c2c1cccc2

STK045492
Synonyms: 1- (4- methoxyphenyl)- 3- [5- (3- methylphenyl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: COc1ccc(cc1)NC(=O)Nc1nnc(s1)c1cccc(c1)C

STK045549
Synonyms: (5Z)- 5- [(2Z)- 2- (4- chlorophenyl)- 3- phenylprop- 2- en- 1- ylidene]- 3- (4- methoxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1ccc(cc1)N1C(=S)S/C(=C\C(=C\c2ccccc2)\c2ccc(cc2)Cl)/C1=O

STK045563
Synonyms: 7- (3,4- dichlorobenzyl)- 1,3- dimethyl- 8- [(2- methylpropyl)amino]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(CNc1nc2c(n1Cc1ccc(c(c1)Cl)Cl)c(=O)n(c(=O)n2C)C)C

STK045632
Synonyms: (6Z)- 6- {[1- (2- fluorobenzyl)- 1H- indol- 3- yl]methylidene}- 5- imino- 2- (2- methylphenyl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Fc1ccccc1Cn1cc(c2c1cccc2)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccccc1C

STK045637
Synonyms: 1- [3- (4- fluorophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanoyl]- N- [(1R)- 1- phenylethyl]piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F)N[C@@H](c1ccccc1)C

STK045641
Synonyms: 2- {[(E)- 1,3- benzodioxol- 5- ylmethylidene]amino}- 4- propylphenol
Smiles: CCCc1ccc(c(c1)/N=C/c1ccc2c(c1)OCO2)O

STK045643
Synonyms: 5,5- bis(hydroxymethyl)- 2- [(3- methylphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: OCC1(CO)SC(=NC1=O)Nc1cccc(c1)C

STK045647
Synonyms: 5- (phenylcarbonyl)- 5a,6,7,8,9,10- hexahydroazepino[2,1- b]quinazolin- 12(5H)- one
Smiles: O=C(N1C2CCCCCN2C(=O)c2c1cccc2)c1ccccc1

STK045653
Synonyms: morpholin- 4- yl[4'- pentyl- 1,1'- bi(cyclohexyl)- 4- yl]methanone
Smiles: CCCCCC1CCC(CC1)C1CCC(CC1)C(=O)N1CCOCC1

STK045660
Synonyms: methyl[2- (4- methoxyphenyl)- 4- oxo- 2H- 1,3- benzoxazin- 3(4H)- yl]acetate
Smiles: COC(=O)CN1C(Oc2c(C1=O)cccc2)c1ccc(cc1)OC

STK045661
Synonyms: (3E)- 3- [2- (phenoxyacetyl)hydrazinylidene]- N- (pyridin- 2- yl)butanamide
Smiles: O=C(COc1ccccc1)N/N=C(/CC(=O)Nc1ccccn1)\C

STK045667
Synonyms: (5E)- 1- methyl- 2- thioxo- 5- [4- (trifluoromethyl)benzylidene]dihydropyrimidine- 4,6(1H,5H)- dione
Smiles: CN1C(=S)NC(=O)/C(=C\c2ccc(cc2)C(F)(F)F)/C1=O

STK045668
Synonyms: 1- ethoxy- 3- phenylthiourea
Smiles: CCONC(=S)Nc1ccccc1

STK045678
Synonyms: ethyl1- (2- chlorophenyl)- 4- oxo- 2- thioxo- 1,3- diazaspiro[4.5]decane- 3- carboxylate
Smiles: CCOC(=O)N1C(=S)N(C2(C1=O)CCCCC2)c1ccccc1Cl

STK045681
Synonyms: 5- (pyridin- 4- ylmethylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)NC(=O)C1=Cc1ccncc1

STK045713
Synonyms: 3- cyclohexyl- 2- [(3- methylbutyl)sulfanyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CC(CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3)C

STK045717
Synonyms: 2- chloro- 5- ({[(4- nitrophenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: S=C(NC(=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccc(c(c1)C(=O)O)Cl

STK045753
Synonyms: N- benzyl- N- (2- hydroxyethyl)- 3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanamide
Smiles: OCCN(C(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])Cc1ccccc1

STK045763
Synonyms: N'- [(E)- (5- bromo- 2- {2- [4- (butan- 2- yl)phenoxy]ethoxy}phenyl)methylidene]acetohydrazide
Smiles: CCC(c1ccc(cc1)OCCOc1ccc(cc1/C=N/NC(=O)C)Br)C

STK045784
Synonyms: 8,8'- (ethane- 1,2- diyldisulfanediyl)bis{7- [3- (4- chlorophenoxy)- 2- hydroxypropyl]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione}
Smiles: OC(Cn1c(SCCSc2nc3c(n2CC(COc2ccc(cc2)Cl)O)c(=O)[nH]c(=O)n3C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl

STK045814
Synonyms: 4- butoxy- N'- [(4- methylphenyl)carbonyl]benzohydrazide
Smiles: CCCCOc1ccc(cc1)C(=O)NNC(=O)c1ccc(cc1)C

STK045816
Synonyms: ethyl4- (3,4- dimethyl- 6- oxopyrano[2,3- c]pyrazol- 1(6H)- yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1nc(c2c1oc(=O)cc2C)C

STK045827
Synonyms: S- 1,3- benzothiazol- 2- yl(4- bromophenyl)methanesulfonothioate
Smiles: Brc1ccc(cc1)CS(=O)(=O)Sc1nc2c(s1)cccc2

STK045837
Synonyms: methylN- (4- oxo- 4- {[3- (trifluoromethyl)phenyl]amino}butanoyl)leucinate
Smiles: COC(=O)C(NC(=O)CCC(=O)Nc1cccc(c1)C(F)(F)F)CC(C)C

STK045859
Synonyms: 2- [(5- bromo- 6- methylimidazo[2,1- b][1,3,4]thiadiazol- 2- yl)amino]ethanol
Smiles: Cc1nc2n(c1Br)nc(s2)NCCO

STK045865
Synonyms: (2Z)- N- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 6- chloro- 2- [(2- methylphenyl)imino]- 2H- chromene- 3- carboxamide
Smiles: Brc1ccc(cc1)c1csc(n1)NC(=O)c1cc2cc(Cl)ccc2o/c/1=N\c1ccccc1C

STK045889
Synonyms: 8- butyl- 3,3- dimethyl- 6- (piperazin- 1- yl)- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: CCCCc1nc(N2CCNCC2)c(c2c1COC(C2)(C)C)C#N

STK045893
Synonyms: 4- (morpholin- 4- ylacetyl)- 2,3,3a,4- tetrahydropyrrolo[2,1- b]quinazolin- 9(1H)- one
Smiles: O=C(N1C2CCCN2C(=O)c2c1cccc2)CN1CCOCC1

STK045911
Synonyms: N- (1- hydroxy- 2- methylpropan- 2- yl)- 1- (3,4,5- trimethoxybenzyl)piperidine- 4- carboxamide
Smiles: OCC(NC(=O)C1CCN(CC1)Cc1cc(OC)c(c(c1)OC)OC)(C)C

STK046001
Synonyms: N- {4- [(4- methoxyphenyl)sulfamoyl]phenyl}- 2- [5- methyl- 2- (propan- 2- yl)phenoxy]acetamide
Smiles: COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=O)COc1cc(C)ccc1C(C)C

STK046016
Synonyms: 2- (2- hydroxy- 5- methylphenyl)- 1,2,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4- ol
Smiles: Cc1ccc(c(c1)C1N=C(O)c2c(N1)sc1c2CCCC1)O

STK046023
Synonyms: 4,4'- [ethane- 1,2- diylbis(1H- tetrazole- 1,5- diylmethanediyl)]dimorpholine
Smiles: O1CCN(CC1)Cc1nnnn1CCn1nnnc1CN1CCOCC1

STK046031
Synonyms:
Smiles: CNc1sc2c([nH]1)cccc2

STK046039
Synonyms: 1- azabicyclo[2.2.2]oct- 3- yl4- methylbenzoate
Smiles: O=C(c1ccc(cc1)C)OC1CN2CCC1CC2

STK046068
Synonyms: 2- amino- 6- [(3,4- dichlorobenzyl)sulfanyl]pyridine- 3,5- dicarbonitrile
Smiles: N#Cc1cc(C#N)c(nc1SCc1ccc(c(c1)Cl)Cl)N

STK046091
Synonyms: 4- methylphenyl4- oxo- 4- ({4- [(2,4,6- trimethylphenyl)sulfamoyl]phenyl}amino)butanoate
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(cc1C)C)CCC(=O)Oc1ccc(cc1)C

STK046094
Synonyms: 5- {3- [(2- chlorobenzyl)oxy]benzylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)C(=Cc2cccc(c2)OCc2ccccc2Cl)C(=O)N1

STK046102
Synonyms: 1- (cyclohexylmethyl)- N- (6- hydroxy- 6- methylheptan- 2- yl)piperidine- 4- carboxamide
Smiles: CC(NC(=O)C1CCN(CC1)CC1CCCCC1)CCCC(O)(C)C

STK046106
Synonyms: 1- methyl- 5- (2- methyl- 1H- imidazol- 1- yl)- 3- nitro- 1H- 1,2,4- triazole
Smiles: [O-][N+](=O)c1nc(n(n1)C)n1ccnc1C

STK046137
Synonyms: 4- {[2- (biphenyl- 2- yl)- 1,3- dioxo- 2,3- dihydro- 1H- isoindol- 5- yl]oxy}benzoicacid
Smiles: OC(=O)c1ccc(cc1)Oc1ccc2c(c1)C(=O)N(C2=O)c1ccccc1c1ccccc1

STK046143
Synonyms: 2- bromo- N- [(E)- 1H- indol- 3- ylmethylidene]- 4- nitroaniline
Smiles: Brc1cc(ccc1/N=C/c1c[nH]c2c1cccc2)[N+](=O)[O-]

STK046162
Synonyms: 5- amino- 3- {4- [(7- methyloctyl)oxy]phenyl}- 5- oxopentanoicacid
Smiles: CC(CCCCCCOc1ccc(cc1)C(CC(=O)O)CC(=O)N)C

STK046175
Synonyms: 3,3'- [(2- hydroxyphenyl)methanediyl]bis(4- hydroxy- 2H- chromen- 2- one)
Smiles: Oc1ccccc1C(c1c(=O)oc2c(c1O)cccc2)c1c(=O)oc2c(c1O)cccc2

STK046178
Synonyms: ethyl4- (2- amino- 6- oxo- 1,6- dihydro- 9H- purin- 9- yl)cyclohex- 1- ene- 1- carboxylate
Smiles: CCOC(=O)C1=CCC(CC1)n1cnc2c1nc(N)[nH]c2=O

STK046194
Synonyms: 5- chloro- N- [3- chloro- 4- (4- chlorophenoxy)phenyl]- 2- {[(4- methylphenyl)sulfonyl]amino}benzamide
Smiles: Clc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)Oc1ccc(cc1)Cl)NS(=O)(=O)c1ccc(cc1)C

STK046204
Synonyms: 7- [(7- hydroxy- 3,5,5,8a- tetramethyl- 1,2,4a,5,6,7,8,8a- octahydronaphthalen- 2- yl)methoxy]naphthalen- 2(1H)- one
Smiles: OC1CC2(C)CC(COc3ccc4c(c3)CC(=O)C=C4)C(=CC2C(C1)(C)C)C

STK046230
Synonyms: N- (4- {[2- (thiophen- 2- ylcarbonyl)hydrazinyl]sulfonyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)c1cccs1

STK046237
Synonyms: 2- ({(2E)- 3- [(4- methylphenyl)sulfonyl]prop- 2- en- 1- yl}sulfanyl)- 1,3- benzoxazole
Smiles: Cc1ccc(cc1)S(=O)(=O)/C=C/CSc1nc2c(o1)cccc2

STK046250
Synonyms: ethyl6- bromo- 4- [(dimethylamino)methyl]- 5- hydroxy- 2- [(phenylsulfanyl)methyl]- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(CSc2ccccc2)oc2c1c(CN(C)C)c(c(c2)Br)O

STK046254
Synonyms: 4,4'- sulfonylbis(2,6- dichlorophenol)
Smiles: Clc1cc(cc(c1O)Cl)S(=O)(=O)c1cc(Cl)c(c(c1)Cl)O

STK046255
Synonyms: 2- {[(2- bromophenyl)carbonyl]amino}- 4- hydroxybenzoicacid
Smiles: Oc1ccc(c(c1)NC(=O)c1ccccc1Br)C(=O)O

STK046283
Synonyms: (5,6- dimethyl- 1H- benzimidazol- 1- yl)(4- nitrophenyl)methanone
Smiles: [O-][N+](=O)c1ccc(cc1)C(=O)n1cnc2c1cc(C)c(c2)C

STK046296
Synonyms: butyl4- {5- [(E)- {2- [2,6- di(morpholin- 4- yl)pyrimidin- 4- yl]hydrazinylidene}methyl]furan- 2- yl}benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)c1ccc(o1)/C=N/Nc1cc(nc(n1)N1CCOCC1)N1CCOCC1

STK046342
Synonyms: (2Z)- N- (3- chlorophenyl)- 2- (hydroxyimino)- 6- methoxy- 2H- chromene- 3- carboxamide
Smiles: COc1ccc2c(c1)cc(/c(=N/O)/o2)C(=O)Nc1cccc(c1)Cl

STK046370
Synonyms: 3- benzyl- 6,6- dimethyl- 2- [(2- oxobutyl)sulfanyl]- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CCC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(OC3)(C)C

STK046385
Synonyms: N- (4- methoxyphenyl)- 4,5- dihydro- 1H- imidazol- 2- amine
Smiles: COc1ccc(cc1)NC1=NCCN1

STK046387
Synonyms: [5- (1- methyl- 1H- phenanthro[9,10- d]imidazol- 2- yl)thiophen- 2- yl](phenyl)methanone
Smiles: O=C(c1ccc(s1)c1nc2c(n1C)c1ccccc1c1c2cccc1)c1ccccc1

STK046406
Synonyms: 3- {[(E)- furan- 2- ylmethylidene]amino}benzamide
Smiles: NC(=O)c1cccc(c1)/N=C/c1ccco1

STK046412
Synonyms: N- [4- (biphenyl- 4- yl)- 5- ethyl- 1,3- thiazol- 2- yl]- 6- chloro- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: CCc1sc(nc1c1ccc(cc1)c1ccccc1)NC(=O)c1cc2cc(Cl)ccc2oc1=O

STK046416
Synonyms: 3- [(2E)- 2- (1- carbamothioyl- 5- oxo- 3- phenyl- 1,5- dihydro- 4H- pyrazol- 4- ylidene)hydrazinyl]benzoicacid
Smiles: NC(=S)N1N=C(/C(=N\Nc2cccc(c2)C(=O)O)/C1=O)c1ccccc1

STK046421
Synonyms: N- (1,3- benzodioxol- 5- ylmethyl)- N'- {4- [(4,6- dimethoxypyrimidin- 2- yl)sulfamoyl]phenyl}butanediamide
Smiles: COc1cc(OC)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)CCC(=O)NCc1ccc2c(c1)OCO2

STK046424
Synonyms: pentane- 1,5- diylbis(piperidin- 1- ylacetate)
Smiles: O=C(CN1CCCCC1)OCCCCCOC(=O)CN1CCCCC1

STK046485
Synonyms: N''- [(E)- {4- [(2- chlorobenzyl)oxy]- 3- ethoxyphenyl}methylidene]carbonohydrazonicdiamide
Smiles: CCOc1cc(/C=N/N=C(N)N)ccc1OCc1ccccc1Cl

STK046503
Synonyms: N- [3- ({[(4- chlorophenyl)carbonyl]carbamothioyl}amino)phenyl]- 2- methylbenzamide
Smiles: S=C(NC(=O)c1ccc(cc1)Cl)Nc1cccc(c1)NC(=O)c1ccccc1C

STK046522
Synonyms: N- butyl- 1- (pyridin- 3- ylmethyl)piperidine- 4- carboxamide
Smiles: CCCCNC(=O)C1CCN(CC1)Cc1cccnc1

STK046550
Synonyms: dimethyl2,2'- naphthalene- 1,5- diylbis(1,3- dioxo- 2,3- dihydro- 1H- isoindole- 5- carboxylate)
Smiles: COC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cccc2c1cccc2N1C(=O)c2c(C1=O)cc(cc2)C(=O)OC

STK046568
Synonyms: 2- methoxy- 5- [(E)- (2- phenylhydrazinylidene)methyl]phenol
Smiles: COc1ccc(cc1O)/C=N/Nc1ccccc1

STK046570
Synonyms: 2- (2,4- dichlorophenoxy)- N'- [(E)- {5- [(Z)- (3,4- dimethylphenyl)diazenyl]- 2- hydroxyphenyl}methylidene]acetohydrazide
Smiles: O=C(COc1ccc(cc1Cl)Cl)N/N=C/c1cc(/N=N\c2ccc(c(c2)C)C)ccc1O

STK046576
Synonyms: 4- {(1E)- 1- [2- (4- nitrophenyl)hydrazinylidene]propyl}phenol
Smiles: CC/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/c1ccc(cc1)O

STK046587
Synonyms: 1H- benzotriazol- 1- yl[3- (dimethylamino)phenyl]methanone
Smiles: CN(c1cccc(c1)C(=O)n1nnc2c1cccc2)C

STK046596
Synonyms: 1,1'- [(2,5- dimethyl- 3- nitrobenzene- 1,4- diyl)dimethanediyl]bis(1H- pyrazole)
Smiles: [O-][N+](=O)c1c(C)c(Cn2cccn2)cc(c1Cn1cccn1)C

STK046628
Synonyms: 2- amino- 1'- methyl- 5- oxo- 5,6,7,8- tetrahydrospiro[chromene- 4,4'- piperidine]- 3- carbonitrile
Smiles: N#CC1=C(N)OC2=C(C31CCN(CC3)C)C(=O)CCC2

STK046636
Synonyms: 2- (3- oxo- 1,2,3,4- tetrahydroquinoxalin- 2- yl)- N- [4- (propan- 2- yl)phenyl]acetamide
Smiles: O=C(CC1Nc2ccccc2NC1=O)Nc1ccc(cc1)C(C)C

STK046642
Synonyms: 2- bromo- N'- [(E)- (2,4- dihydroxyphenyl)methylidene]benzohydrazide
Smiles: Oc1ccc(c(c1)O)/C=N/NC(=O)c1ccccc1Br

STK046660
Synonyms: 4- hydroxy- 3- [2- (morpholin- 4- yl)- 2- oxoethyl]quinolin- 2(1H)- one
Smiles: O=C(N1CCOCC1)Cc1c(=O)[nH]c2c(c1O)cccc2

STK046676
Synonyms: 2- chloro- 4- nitrophenyl4- butoxybenzoate
Smiles: CCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1Cl)[N+](=O)[O-]

STK046691
Synonyms: 1- [(2Z)- 2- {1- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 3- methyl- 5- oxo- 1,5- dihydro- 4H- pyrazol- 4- ylidene}hydrazinyl]anthracene- 9,10- dione
Smiles: Brc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2cccc3c2C(=O)c2ccccc2C3=O)/C1=O)C

STK046692
Synonyms: N- (3,4- dimethylphenyl)- 2- [(2Z)- 4- oxo- 3- (propan- 2- yl)- 2- (propan- 2- ylimino)- 1,3- thiazolidin- 5- yl]acetamide
Smiles: O=C(CC1S/C(=N\C(C)C)/N(C1=O)C(C)C)Nc1ccc(c(c1)C)C

STK046694
Synonyms: 4- hydroxy- N- (6- methylpyridin- 2- yl)- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: Cc1cccc(n1)NC(=O)c1c(=O)[nH]c2c(c1O)cccc2

STK046697
Synonyms: 2- (4- hydroxy- 2- oxo- 1- propyl- 1,2- dihydroquinolin- 3- yl)quinazolin- 4(3H)- one
Smiles: CCCn1c(=O)c(c2nc3ccccc3c(=O)[nH]2)c(c2c1cccc2)O

STK046737
Synonyms: N'- phenyl- 4'- (trifluoromethyl)biphenyl- 2- carbohydrazide
Smiles: O=C(c1ccccc1c1ccc(cc1)C(F)(F)F)NNc1ccccc1

STK046740
Synonyms: (5- chloro- 2- {[(E)- (4- hydroxy- 3- methoxyphenyl)methylidene]amino}phenyl)(phenyl)methanone
Smiles: COc1cc(/C=N/c2ccc(cc2C(=O)c2ccccc2)Cl)ccc1O

STK046761
Synonyms: 6- ethyl- 7- methyl- 5- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 2- ylpiperidine- 1- carbodithioate
Smiles: CCc1c(C)nc2n(c1=O)nc(s2)SC(=S)N1CCCCC1

STK046767
Synonyms: 1- (3- methoxyphenyl)- 3- {5- [(4- propylphenoxy)methyl]- 1,3,4- thiadiazol- 2- yl}urea
Smiles: CCCc1ccc(cc1)OCc1nnc(s1)NC(=O)Nc1cccc(c1)OC

STK046773
Synonyms: 2- cyclohexylidene- N- (3- methylphenyl)hydrazinecarbothioamide
Smiles: S=C(Nc1cccc(c1)C)NN=C1CCCCC1

STK046802
Synonyms: 1- (cyclohex- 3- en- 1- ylmethyl)- N- [2- (3,4- dimethoxyphenyl)ethyl]- N- methylpiperidine- 4- carboxamide
Smiles: COc1cc(CCN(C(=O)C2CCN(CC2)CC2CCC=CC2)C)ccc1OC

STK046809
Synonyms: N,N'- [sulfanediylbis(2- phenyl- 1H- inden- 3- yl- 1- ylidene)]dinaphthalen- 2- amine
Smiles: c1ccc(cc1)C1=C(SC2=C(c3ccccc3)/C(=N\c3ccc4c(c3)cccc4)/c3c2cccc3)c2c(/C/1=N\c1ccc3c(c1)cccc3)cccc2

STK046811
Synonyms: 4- (2,4- dichlorophenyl)- 6- (thiophen- 2- yl)- 2- thioxo- 1,2- dihydropyridine- 3- carbonitrile
Smiles: N#Cc1c(=S)[nH]c(cc1c1ccc(cc1Cl)Cl)c1cccs1

STK046850
Synonyms: 1H- indol- 2- yl(2- methylphenyl)methanone
Smiles: Cc1ccccc1C(=O)c1cc2c([nH]1)cccc2

STK046852
Synonyms: N- (2- chloro- 4- {[(4- nitrophenoxy)acetyl]amino}phenyl)furan- 2- carboxamide
Smiles: O=C(Nc1ccc(c(c1)Cl)NC(=O)c1ccco1)COc1ccc(cc1)[N+](=O)[O-]

STK046919
Synonyms: methylN- {4- [(4- methoxybenzyl)amino]- 4- oxobutanoyl}leucinate
Smiles: COC(=O)C(NC(=O)CCC(=O)NCc1ccc(cc1)OC)CC(C)C

STK046947
Synonyms: 1- {(2E)- 3- [4- (dimethylamino)phenyl]prop- 2- enoyl}- 2,2,4- trimethyl- 1,2- dihydroquinolin- 6- yl(2E)- 3- [4- (dimethylamino)phenyl]prop- 2- enoate
Smiles: O=C(Oc1ccc2c(c1)C(=CC(N2C(=O)/C=C/c1ccc(cc1)N(C)C)(C)C)C)/C=C/c1ccc(cc1)N(C)C

STK046951
Synonyms: 3- chloro- 4- methoxy- N- (6- methylpyridin- 2- yl)benzamide
Smiles: COc1ccc(cc1Cl)C(=O)Nc1cccc(n1)C

STK046954
Synonyms: 2- (4- butoxyphenyl)- 5- [4- (4- pentylphenyl)cyclohexyl]- 1,3,4- oxadiazole
Smiles: CCCCCc1ccc(cc1)C1CCC(CC1)c1nnc(o1)c1ccc(cc1)OCCCC

STK046960
Synonyms: 2- (1H- benzimidazol- 2- ylsulfanyl)- 1- (2- methyltetrahydrofuran- 2- yl)ethanone
Smiles: O=C(C1(C)CCCO1)CSc1nc2c([nH]1)cccc2

STK046969
Synonyms: 3- [(3,7- dimethyloct- 6- en- 1- yl)amino]- N,N- dimethylpropan- 1- aminium
Smiles: CC(CCC=C(C)C)CCNCCC[NH+](C)C

STK046981
Synonyms: 2- [4- (difluoromethoxy)phenyl]- 5- pentylpyridine
Smiles: CCCCCc1ccc(nc1)c1ccc(cc1)OC(F)F

STK046999
Synonyms: 2,2,2- trifluoro- N'- [(4- nitrophenoxy)acetyl]acetohydrazide
Smiles: O=C(COc1ccc(cc1)[N+](=O)[O-])NNC(=O)C(F)(F)F

STK047004
Synonyms: 5- fluoro- 1- [(2- oxo- 1- oxaspiro[4.4]non- 4- yl)carbonyl]pyrimidine- 2,4(1H,3H)- dione
Smiles: O=C1CC(C2(O1)CCCC2)C(=O)n1cc(F)c(=O)[nH]c1=O

STK047021
Synonyms: 1- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 2- [(4- methoxyphenyl)amino]ethanone
Smiles: COc1ccc(cc1)NCC(=O)n1nc(cc1C)C

STK047031
Synonyms: 1,2- dimethyl- 7- nitro- 5,6- dihydro- 4H- pyrrolo[3,2,1- ij]quinoline
Smiles: Cc1n2CCCc3c2c(c1C)ccc3[N+](=O)[O-]

STK047041
Synonyms: N- (4- chlorophenyl)- 6- hexyl- 7- hydroxy- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: CCCCCCc1cc2cc(C(=O)Nc3ccc(cc3)Cl)c(=O)oc2cc1O

STK047043
Synonyms: 5- (prop- 2- en- 1- yl)- 3- [(tetrahydrofuran- 2- ylmethyl)sulfanyl]- 5H- [1,2,4]triazino[5,6- b]indole
Smiles: C=CCn1c2ccccc2c2c1nc(SCC1CCCO1)nn2

STK047044
Synonyms: 1- (2- phenyl- 1,3- thiazol- 5- yl)methanamineethanedioate
Smiles: OC(=O)C(=O)O.NCc1cnc(s1)c1ccccc1

STK047072
Synonyms: 4- [4- (4- methylphenyl)- 5- {[3- (trifluoromethyl)benzyl]sulfanyl}- 4H- 1,2,4- triazol- 3- yl]pyridine
Smiles: Cc1ccc(cc1)n1c(SCc2cccc(c2)C(F)(F)F)nnc1c1ccncc1

STK047129
Synonyms: {4- (4- bromophenyl)- 2- [4- (dimethylamino)phenyl]- 1,3- thiazol- 5- yl}aceticacid
Smiles: OC(=O)Cc1sc(nc1c1ccc(cc1)Br)c1ccc(cc1)N(C)C

STK047135
Synonyms: 5- {[(2- imino- 4- oxo- 1,3- thiazolidin- 5- yl)acetyl]amino}benzene- 1,3- diyldiacetate
Smiles: O=C(Nc1cc(OC(=O)C)cc(c1)OC(=O)C)CC1SC(=N)NC1=O

STK047154
Synonyms: 2- imino- 6- [(E)- phenyldiazenyl]- 2H- chromene- 3- carboxamide
Smiles: NC(=O)c1cc2cc(/N=N/c3ccccc3)ccc2oc1=N

STK047168
Synonyms: 3- (2- cyclopropyl- 2- oxoethyl)- 3- hydroxy- 1,3- dihydro- 2H- indol- 2- one
Smiles: O=C(C1CC1)CC1(O)C(=O)Nc2c1cccc2

STK047193
Synonyms: 1,4- di- tert- butyl- 1,4- dihydro- 5H- tetrazol- 5- iminium
Smiles: CC(n1nnn(c1=[NH2+])C(C)(C)C)(C)C

STK047218
Synonyms: 7,7- dimethyl- 4- (4- methylphenyl)- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5(4H)- one
Smiles: Cc1ccc(cc1)n1c(=O)c2c3CC(C)(C)OCc3sc2n2c1nnn2

STK047219
Synonyms: (5Z)- 5- (3- bromobenzylidene)- 1- (4- fluorophenyl)- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: Fc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cccc(c2)Br)/C1=O

STK047235
Synonyms: 6- chloro- 2- methyl- 1,2,3,4- tetrahydroquinolin- 4- ol
Smiles: CC1CC(O)c2c(N1)ccc(c2)Cl

STK047261
Synonyms: 2,2,2- trichloro- 1- {[4- chloro- 6- (dimethylamino)- 1,3,5- triazin- 2- yl]amino}ethanol
Smiles: Clc1nc(nc(n1)N(C)C)NC(C(Cl)(Cl)Cl)O

STK047314
Synonyms: methyl4- cyano- 5- {[(2- iodophenyl)carbonyl]amino}- 3- methylthiophene- 2- carboxylate
Smiles: COC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccccc1I

STK047386
Synonyms: 7- methoxy- 1- methyl- 9H- beta- carboline
Smiles: COc1ccc2c(c1)[nH]c1c2ccnc1C

STK047392
Synonyms: 1- [(E)- (propan- 2- ylimino)methyl]- 6,7,8,9- tetrahydrodibenzo[b,d]furan- 2- ol
Smiles: CC(/N=C/c1c(O)ccc2c1c1CCCCc1o2)C

STK047396
Synonyms: N- [2- (2- methylphenyl)- 1,3- benzoxazol- 5- yl]pentanamide
Smiles: CCCCC(=O)Nc1ccc2c(c1)nc(o2)c1ccccc1C

STK047428
Synonyms: 2,4- dichloro- N- [(7- methyl- 5- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 2- yl)carbamoyl]benzamide
Smiles: O=C(NC(=O)c1ccc(cc1Cl)Cl)Nc1nn2c(s1)nc(cc2=O)C

STK047434
Synonyms: N- (3- oxo- 5- phenylpyrazolidin- 4- yl)acetamide
Smiles: CC(=O)NC1C(=O)NNC1c1ccccc1

STK047449
Synonyms: (2E)- 3- (2,4- dichlorophenyl)- N- [(6- methylpyridin- 2- yl)carbamothioyl]prop- 2- enamide
Smiles: S=C(Nc1cccc(n1)C)NC(=O)/C=C/c1ccc(cc1Cl)Cl

STK047451
Synonyms: (10Z)- 10- {[1- (4- fluorophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 7- phenyl- 5,7- dihydro- 6H- benzo[h][1,3]thiazolo[2,3- b]quinazolin- 9(10H)- one
Smiles: Fc1ccc(cc1)n1c(C)cc(c1C)/C=c/1\sc2=NC3=C(C(n2c1=O)c1ccccc1)CCc1c3cccc1

STK047464
Synonyms: 1- (5- bromo- 1- methyl- 1H- indol- 3- yl)ethanone
Smiles: Brc1ccc2c(c1)c(cn2C)C(=O)C

STK047483
Synonyms: (4- hydroxy- 2,6- dimethyl- 3,4- dihydroquinolin- 1(2H)- yl)(phenyl)methanone
Smiles: Cc1ccc2c(c1)C(O)CC(N2C(=O)c1ccccc1)C

STK047498
Synonyms: 2- [(E)- (dibenzo[b,d]furan- 3- ylimino)methyl]- 4- methylphenol
Smiles: Cc1ccc(c(c1)/C=N/c1ccc2c(c1)oc1c2cccc1)O

STK047499
Synonyms: 4- iodo- N- [6- methyl- 2- (4- methylphenyl)- 2H- benzotriazol- 5- yl]benzamide
Smiles: Cc1ccc(cc1)n1nc2c(n1)cc(c(c2)NC(=O)c1ccc(cc1)I)C

STK047513
Synonyms: 1- (piperidin- 1- yl)- 2- (1H- 1,2,4- triazol- 5- ylsulfanyl)ethanone
Smiles: O=C(N1CCCCC1)CSc1ncn[nH]1

STK047520
Synonyms: N'- decanoyl- 4- hydroxy- 1- methyl- 2- oxo- 1,2- dihydroquinoline- 3- carbohydrazide
Smiles: CCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(c1=O)C

STK047526
Synonyms: 6- (4- bromophenyl)- 4- (4- methoxyphenyl)- 2- thioxo- 1,2- dihydropyridine- 3- carbonitrile
Smiles: N#Cc1c(=S)[nH]c(cc1c1ccc(cc1)OC)c1ccc(cc1)Br

STK047533
Synonyms: 2- phenyl- N- (pyridin- 4- yl)acetamide
Smiles: O=C(Nc1ccncc1)Cc1ccccc1

STK047556
Synonyms: 1- (3- ethoxy- 2- hydroxybenzyl)- N- (1- hydroxy- 2- methylpropan- 2- yl)piperidine- 4- carboxamide
Smiles: CCOc1cccc(c1O)CN1CCC(CC1)C(=O)NC(CO)(C)C

STK047583
Synonyms: benzyl2- (5- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 2- yl)hydrazinecarbodithioate
Smiles: S=C(SCc1ccccc1)NNc1nn2c(s1)nccc2=O

STK047604
Synonyms: 2,2'- benzene- 1,4- diylbis[5- (prop- 2- en- 1- yl)pyridine]
Smiles: C=CCc1ccc(nc1)c1ccc(cc1)c1ccc(cn1)CC=C

STK047635
Synonyms: 3- (benzyloxy)- 2- [(4- methylpyrimidin- 2- yl)oxy]- 3,3- diphenylpropanoicacid
Smiles: OC(=O)C(C(c1ccccc1)(c1ccccc1)OCc1ccccc1)Oc1nccc(n1)C

STK047648
Synonyms: (1E)- N- hydroxy- 1- (2- methyl- 1H- indol- 3- yl)propan- 1- imine
Smiles: CC/C(=N\O)/c1c(C)[nH]c2c1cccc2

STK047651
Synonyms: 6- bromo- 3- {4- [7- (diethylamino)- 2- oxo- 2H- chromen- 3- yl]- 1,3- thiazol- 2- yl}- 2H- chromen- 2- one
Smiles: CCN(c1ccc2c(c1)oc(=O)c(c2)c1csc(n1)c1cc2cc(Br)ccc2oc1=O)CC

STK047652
Synonyms: 7- chloro- 2- [(E)- 2- (5- nitrofuran- 2- yl)ethenyl]quinolin- 4- ol
Smiles: Clc1ccc2c(c1)nc(cc2O)/C=C/c1ccc(o1)[N+](=O)[O-]

STK047657
Synonyms: N- cyclohexyl- 3,4- dimethylbenzamide
Smiles: O=C(c1ccc(c(c1)C)C)NC1CCCCC1

STK047678
Synonyms: 7- (2- chloro- 6- fluorobenzyl)- 8- [(2- hydroxypropyl)amino]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(CNc1nc2c(n1Cc1c(F)cccc1Cl)c(=O)n(c(=O)n2C)C)O

STK047688
Synonyms: 4- [({4- [(7- methyloctyl)oxy]phenyl}carbonyl)amino]butanoicacid
Smiles: CC(CCCCCCOc1ccc(cc1)C(=O)NCCCC(=O)O)C

STK047703
Synonyms: 2- chloro- N- (1- {1- [(1E)- 1- (2,4- dichlorophenyl)- 4,4- dimethylpent- 1- en- 3- yl]- 1H- tetrazol- 5- yl}cyclohexyl)aniline
Smiles: Clc1ccc(c(c1)Cl)/C=C/C(C(C)(C)C)n1nnnc1C1(CCCCC1)Nc1ccccc1Cl

STK047721
Synonyms: 1- (azepan- 1- yl)- 3- (4- methylpiperazin- 1- yl)propan- 2- ol
Smiles: OC(CN1CCCCCC1)CN1CCN(CC1)C

STK047729
Synonyms: 2- (4- bromo- 2,6- dimethylphenoxy)acetohydrazide
Smiles: NNC(=O)COc1c(C)cc(cc1C)Br

STK047746
Synonyms: N'- [(2- bromophenyl)carbonyl]- 4'- methoxybiphenyl- 4- carbohydrazide
Smiles: COc1ccc(cc1)c1ccc(cc1)C(=O)NNC(=O)c1ccccc1Br

STK047753
Synonyms: 4- methoxy- N- ({2- [(2- methylphenyl)carbonyl]hydrazinyl}carbonothioyl)benzamide
Smiles: COc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1ccccc1C

STK047759
Synonyms: 8- methoxy- 4,4- dimethyl- 1- (propanoylsulfanyl)- 4,5- dihydro[1,2]dithiolo[3,4- c]quinolin- 2- ium
Smiles: CCC(=O)Sc1[s+]sc2c1c1cc(OC)ccc1NC2(C)C

STK047806
Synonyms: 2- [(1,3- benzodioxol- 5- ylmethyl)(benzyl)amino]ethanol
Smiles: OCCN(Cc1ccccc1)Cc1ccc2c(c1)OCO2

STK047874
Synonyms: 3- chloro- 4- methoxy- N- [2- methyl- 3- ([1,3]oxazolo[4,5- b]pyridin- 2- yl)phenyl]benzamide
Smiles: COc1ccc(cc1Cl)C(=O)Nc1cccc(c1C)c1nc2c(o1)cccn2

STK047876
Synonyms: benzene- 1,4- diylbis[(E)diazene- 2,1- diyl- 5- methyl- 2- (propan- 2- yl)benzene- 4,1- diyl]bis(4'- octylbiphenyl- 4- carboxylate)
Smiles: CCCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)Oc1cc(C)c(cc1C(C)C)/N=N/c1ccc(cc1)/N=N/c1cc(C(C)C)c(cc1C)OC(=O)c1ccc(cc1)c1ccc(cc1)CCCCCCCC

STK047879
Synonyms: 6- [2- (3,4- dimethoxyphenyl)ethyl]- 1,3- dimethyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidine- 2,4(1H,3H)- dione
Smiles: COc1ccc(cc1OC)CCN1CNc2c(C1)c(=O)n(c(=O)n2C)C

STK047881
Synonyms: 1- (2- ethoxyphenyl)- 4- (pyridin- 2- ylmethyl)piperazine
Smiles: CCOc1ccccc1N1CCN(CC1)Cc1ccccn1

STK047883
Synonyms: N- (2,3,5,6,7,8- hexahydro- 1H- cyclopenta[b]quinolin- 9- yl)- 2- methylbutanamide
Smiles: CCC(C(=O)Nc1c2CCCc2nc2c1CCCC2)C

STK047898
Synonyms: 4- ({N- [(4- methylphenyl)sulfonyl]- N- (2- phenylethyl)glycyl}amino)benzamide
Smiles: O=C(CN(S(=O)(=O)c1ccc(cc1)C)CCc1ccccc1)Nc1ccc(cc1)C(=O)N

STK047920
Synonyms: 3- cyclohexyl- 2- (prop- 2- en- 1- ylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: C=CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3

STK047923
Synonyms: (3E)- 3- {2- [(2- chloro- 4- nitrophenyl)carbonyl]hydrazinylidene}- N- (2- methoxyethyl)butanamide
Smiles: COCCNC(=O)C/C(=N/NC(=O)c1ccc(cc1Cl)[N+](=O)[O-])/C

STK047928
Synonyms: 2- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- (pentan- 2- yl)acetamide
Smiles: CCCC(NC(=O)CN1C(=O)c2c(C1=O)cccc2)C

STK047934
Synonyms: butyl4- (2,6- dimethyl- 4- oxo- 5- phenylpyrimidin- 1(4H)- yl)benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)n1c(C)nc(=O)c(c1C)c1ccccc1

STK047950
Synonyms: 6- [(E)- 2- (4- hydroxy- 3,5- dimethoxyphenyl)ethenyl]- 1,3- dimethyl- 5- nitropyrimidine- 2,4(1H,3H)- dione
Smiles: COc1cc(/C=C/c2n(C)c(=O)n(c(=O)c2[N+](=O)[O-])C)cc(c1O)OC

STK047962
Synonyms: 1- [(diethoxyphosphoryl)methyl]proline
Smiles: CCOP(=O)(CN1CCCC1C(=O)O)OCC

STK047966
Synonyms: N- [3- (5- chloro- 1,3- benzoxazol- 2- yl)- 2- methylphenyl]- 4- ethoxybenzamide
Smiles: CCOc1ccc(cc1)C(=O)Nc1cccc(c1C)c1nc2c(o1)ccc(c2)Cl

STK047968
Synonyms: N- carbamimidoyl- 4- {[(E)- (4- hydroxyphenyl)methylidene]amino}benzenesulfonamide
Smiles: NC(=N)NS(=O)(=O)c1ccc(cc1)/N=C/c1ccc(cc1)O

STK047987
Synonyms: [benzene- 1,4- diylbis(1H- tetrazole- 1,5- diyl)]bis(N,N,N- trimethylmethanaminium)
Smiles: C[N+](Cc1nnnn1c1ccc(cc1)n1nnnc1C[N+](C)(C)C)(C)C

STK048013
Synonyms: 2- (diphenylamino)- 4,6- diphenylpyridine- 3- carbonitrile
Smiles: N#Cc1c(cc(nc1N(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1

STK048034
Synonyms: 4- amino- 3,5,6- trichloro- N'- [(E)- (4- hydroxy- 3- methoxyphenyl)methylidene]pyridine- 2- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nc(Cl)c(c(c2Cl)N)Cl)ccc1O

STK048064
Synonyms: N'- [(E)- {5- [(E)- (4- bromophenyl)diazenyl]- 2- hydroxy- 3- methoxyphenyl}methylidene]- 3- methyl- 1H- pyrazole- 5- carbohydrazide
Smiles: COc1cc(/N=N/c2ccc(cc2)Br)cc(c1O)/C=N/NC(=O)c1[nH]nc(c1)C

STK048179
Synonyms: N- butyl- 1- (2,4- dimethoxybenzyl)piperidine- 4- carboxamide
Smiles: CCCCNC(=O)C1CCN(CC1)Cc1ccc(cc1OC)OC

STK048180
Synonyms: N- (3,4- dichlorophenyl)- 2- {[1- (4- methoxyphenyl)- 2,5- dioxopyrrolidin- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)N1C(=O)CC(C1=O)SCC(=O)Nc1ccc(c(c1)Cl)Cl

STK048194
Synonyms: (4Z)- 4- [2- (9,10- dioxo- 9,10- dihydroanthracen- 2- yl)hydrazinylidene]- 5- oxo- 3- phenyl- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: NC(=S)N1N=C(/C(=N/Nc2ccc3c(c2)C(=O)c2c(C3=O)cccc2)/C1=O)c1ccccc1

STK048199
Synonyms: ethyl2- (7- methyl- 5- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 2- yl)- 3,3- bis(methylsulfanyl)prop- 2- enoate
Smiles: CCOC(=O)C(=C(SC)SC)c1nn2c(s1)nc(cc2=O)C

STK048202
Synonyms: ethyl2- {[(4- tert- butylphenoxy)acetyl]amino}- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: CCOC(=O)c1sc(nc1C)NC(=O)COc1ccc(cc1)C(C)(C)C

STK048211
Synonyms: N',N'- diphenylbenzenesulfonohydrazide
Smiles: O=S(=O)(c1ccccc1)NN(c1ccccc1)c1ccccc1

STK048214
Synonyms: ethyl(2E)- 2- cyano- 3- {4- [(4- fluorobenzyl)oxy]- 3- methoxyphenyl}prop- 2- enoate
Smiles: CCOC(=O)/C(=C/c1ccc(c(c1)OC)OCc1ccc(cc1)F)/C#N

STK048220
Synonyms: 4- [4'- propyl- 1,1'- bi(cyclohexyl)- 4- yl]phenol
Smiles: CCCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)O

STK048251
Synonyms: (3Z)- 3- [(2- nitrophenyl)imino]- 1,3- dihydro- 2H- indol- 2- one
Smiles: [O-][N+](=O)c1ccccc1/N=C/1\C(=O)Nc2c1cccc2

STK048257
Synonyms: 2- (2- bromophenyl)- 5- (4- bromophenyl)- 1,3,4- thiadiazole
Smiles: Brc1ccc(cc1)c1nnc(s1)c1ccccc1Br

STK048332
Synonyms: 2- phenoxy- 5- (5- [(phenylcarbonyl)amino]- 3- {4- [(phenylcarbonyl)amino]phenyl}- 1H- pyrazol- 1- yl)benzenesulfonicacid
Smiles: O=C(c1ccccc1)Nc1cc(nn1c1ccc(c(c1)S(=O)(=O)O)Oc1ccccc1)c1ccc(cc1)NC(=O)c1ccccc1

STK048363
Synonyms: (2Z)- N- (2- chlorophenyl)- 7- hydroxy- 2- (hydroxyimino)- 2H- chromene- 3- carboxamide
Smiles: O/N=c/1\oc2cc(O)ccc2cc1C(=O)Nc1ccccc1Cl

STK048364
Synonyms: 3,5- dichloro- 4- methoxy- N- (naphthalen- 1- ylcarbamothioyl)benzamide
Smiles: COc1c(Cl)cc(cc1Cl)C(=O)NC(=S)Nc1cccc2c1cccc2

STK048381
Synonyms: (2E)- N- (4,6- dimethylpyrimidin- 2- yl)- 3- (3,4,5- trimethoxyphenyl)prop- 2- enamide
Smiles: COc1cc(/C=C/C(=O)Nc2nc(C)cc(n2)C)cc(c1OC)OC

STK048446
Synonyms: N- {[4- (5,6- dimethyl- 1,3- benzoxazol- 2- yl)phenyl]carbamothioyl}- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)NC(=S)Nc1ccc(cc1)c1oc2c(n1)cc(c(c2)C)C

STK048456
Synonyms: 2- (iodoethynyl)- 4,6,6- trimethylbicyclo[3.1.1]heptan- 2- ol
Smiles: IC#CC1(O)CC(C)C2CC1C2(C)C

STK048462
Synonyms: 8- [(2- hydroxyethyl)amino]- 3- methyl- 7- (2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCNc1nc2c(n1CCc1ccccc1)c(=O)[nH]c(=O)n2C

STK048487
Synonyms: 3- (2- methyl- 1H- benzimidazol- 1- yl)propanenitrile
Smiles: N#CCCn1c(C)nc2c1cccc2

STK048490
Synonyms: 4- {[(4- butylphenyl)carbonyl]amino}benzoicacid
Smiles: CCCCc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)O

STK048495
Synonyms: N- [2- {[1- (4- chlorophenoxy)- 3,3- dimethyl- 1- (1H- 1,2,4- triazol- 1- yl)butan- 2- yl]amino}- 1- (4- chlorophenyl)- 2- oxoethyl]pyridine- 2- carboxamide
Smiles: O=C(C(c1ccc(cc1)Cl)NC(=O)c1ccccn1)NC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)Cl

STK048533
Synonyms: 1- butoxy- 4- (4- phenyl- 5- sulfanyl- 4H- 1,2,4- triazol- 3- yl)hept- 6- en- 2- ol
Smiles: C=CCC(c1nnc(n1c1ccccc1)S)CC(COCCCC)O

STK048548
Synonyms: 4- (2- {4- [(4- nitrophenyl)amino]- 4- oxobutanoyl}hydrazinyl)- 4- oxo- N,N- diphenylbutanamide
Smiles: O=C(NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)CCC(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK048558
Synonyms: N- (2- methoxyphenyl)- 4- phenylquinazolin- 2- amine
Smiles: COc1ccccc1Nc1nc2ccccc2c(n1)c1ccccc1

STK048583
Synonyms: 1- [(4- bromophenyl)sulfonyl]- 2,2,4- trimethyl- 4- (4- methylphenyl)- 1,2,3,4- tetrahydroquinoline
Smiles: Cc1ccc(cc1)C1(C)CC(C)(C)N(c2c1cccc2)S(=O)(=O)c1ccc(cc1)Br

STK048602
Synonyms: N'- (chloroacetyl)- 4- hydroxy- 1- methyl- 2- oxo- 1,2- dihydroquinoline- 3- carbohydrazide
Smiles: ClCC(=O)NNC(=O)c1c(O)c2ccccc2n(c1=O)C

STK048615
Synonyms: 5- ({1- [2- (4- chloro- 2- methylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)C(=Cc2cn(c3c2cccc3)CCOc2ccc(cc2C)Cl)C(=O)N1

STK048616
Synonyms: N- [2- (diethylamino)ethyl]- 3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanamide
Smiles: CCN(CCNC(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])CC

STK048618
Synonyms: 3- ethyl- 5- methyl- 5- {2- [(2- methylphenyl)amino]- 1,3- thiazol- 4- yl}dihydrofuran- 2(3H)- one
Smiles: CCC1CC(OC1=O)(C)c1csc(n1)Nc1ccccc1C

STK048626
Synonyms: 2- (4- bromophenoxy)- N- (furan- 2- ylmethyl)acetamide
Smiles: O=C(NCc1ccco1)COc1ccc(cc1)Br

STK048631
Synonyms: ethyl4- {(2Z)- 2- [3- (4- nitrophenyl)- 5- oxo- 1- phenyl- 1,5- dihydro- 4H- pyrazol- 4- ylidene]hydrazinyl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)N/N=C\1/C(=NN(C1=O)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK048652
Synonyms: [3- (acetyloxy)- 1,3- diphenylpropyl](chloro)mercury
Smiles: Cl[Hg]C(c1ccccc1)CC(c1ccccc1)OC(=O)C

STK048654
Synonyms: N- [4- ({[(2- nitrophenyl)carbonyl]carbamothioyl}amino)phenyl]thiophene- 2- carboxamide
Smiles: S=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(cc1)NC(=O)c1cccs1

STK048678
Synonyms: (morpholin- 4- ylmethyl)(piperidin- 1- ylmethyl)phosphinicacid
Smiles: OP(=O)(CN1CCOCC1)CN1CCCCC1

STK048681
Synonyms: N- (9- ethyl- 9H- carbazol- 3- yl)- N'- [4- (2- phenylethoxy)phenyl]butanediamide
Smiles: CCn1c2ccc(cc2c2c1cccc2)NC(=O)CCC(=O)Nc1ccc(cc1)OCCc1ccccc1

STK048701
Synonyms: (6Z)- 6- (3- bromo- 5- methoxy- 4- {2- [2- methoxy- 4- (prop- 2- en- 1- yl)phenoxy]ethoxy}benzylidene)- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: C=CCc1ccc(c(c1)OC)OCCOc1c(Br)cc(cc1OC)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK048705
Synonyms:

STK048706
Synonyms: 5- ({[(2E)- 4- oxo- 2- (phenylimino)- 1,3- thiazolidin- 5- yl]acetyl}amino)benzene- 1,3- diyldiacetate
Smiles: O=C(CC1S/C(=N/c2ccccc2)/NC1=O)Nc1cc(OC(=O)C)cc(c1)OC(=O)C

STK048708
Synonyms: N- (diphenylmethyl)- 2- (3- nitrophenyl)- 2- (pyrrolidin- 1- yl)acetamidebenzoate
Smiles: O=C(C(c1cccc(c1)[N+](=O)[O-])N1CCCC1)NC(c1ccccc1)c1ccccc1.OC(=O)c1ccccc1

STK048716
Synonyms: 1- (4- bromophenyl)- 2- ({1- [2- (4- bromophenyl)- 2- oxoethyl]- 3- phenyl- 1H- 1,2,4- triazol- 5- yl}sulfanyl)ethanone
Smiles: Brc1ccc(cc1)C(=O)CSc1nc(nn1CC(=O)c1ccc(cc1)Br)c1ccccc1

STK048717
Synonyms: ethyl2- (7- methyl- 5- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 2- yl)- 3- (methylsulfanyl)- 3- thioxopropanoate
Smiles: CCOC(=O)C(c1nn2c(s1)nc(cc2=O)C)C(=S)SC

STK048743
Synonyms: methyl3- [4- (methylsulfanyl)phenyl]- 3- {[(5- propoxy- 1H- indol- 2- yl)carbonyl]amino}propanoate
Smiles: CCCOc1ccc2c(c1)cc([nH]2)C(=O)NC(c1ccc(cc1)SC)CC(=O)OC

STK048745
Synonyms: phenyl(methoxycarbamothioyl)carbamate
Smiles: CONC(=S)NC(=O)Oc1ccccc1

STK048754
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- (3- methylphenoxy)acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)COc1cccc(c1)C

STK048774
Synonyms: (2E)- 3- (3- chloro- 4- {2- [4- (propan- 2- yl)phenoxy]ethoxy}phenyl)- 2- cyano- N- (furan- 2- ylmethyl)prop- 2- enamide
Smiles: N#C/C(=C\c1ccc(c(c1)Cl)OCCOc1ccc(cc1)C(C)C)/C(=O)NCc1ccco1

STK048810
Synonyms: 2- (2,4- dichlorophenoxy)- 1- [5- (heptafluoropropyl)- 5- hydroxy- 3- phenyl- 4,5- dihydro- 1H- pyrazol- 1- yl]ethanone
Smiles: Clc1ccc(c(c1)Cl)OCC(=O)N1N=C(CC1(O)C(C(C(F)(F)F)(F)F)(F)F)c1ccccc1

STK048836
Synonyms: (4- tert- butylphenyl)[5- hydroxy- 3- methyl- 5- (pyridin- 3- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]methanone
Smiles: CC1=NN(C(C1)(O)c1cccnc1)C(=O)c1ccc(cc1)C(C)(C)C

STK048863
Synonyms: 5- chloro- 2- methoxy- N- (pyridin- 2- ylmethyl)benzamide
Smiles: COc1ccc(cc1C(=O)NCc1ccccn1)Cl

STK048902
Synonyms: 5- phenoxy- 1H- indole- 2- carboxylicacid
Smiles: OC(=O)c1[nH]c2c(c1)cc(cc2)Oc1ccccc1

STK048904
Synonyms: ethyl{3- [(Z)- (3- methyl- 5- oxo- 1- phenyl- 1,5- dihydro- 4H- pyrazol- 4- ylidene)methyl]- 1H- indol- 1- yl}acetate
Smiles: CCOC(=O)Cn1cc(c2c1cccc2)/C=C\1/C(=NN(C1=O)c1ccccc1)C

STK048905
Synonyms: 2- amino- 4- (2- chlorophenyl)- 6,6- dimethyl- 5- oxo- 5,6,7,8- tetrahydro- 4H- chromene- 3- carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1ccccc1Cl)C(=O)C(CC2)(C)C

STK048909
Synonyms: 5- methyl- 2- (piperidin- 1- yl)- 1H- benzimidazole
Smiles: Cc1ccc2c(c1)nc([nH]2)N1CCCCC1

STK048913
Synonyms: ethyl(cycloheptylamino)(oxo)acetate
Smiles: CCOC(=O)C(=O)NC1CCCCCC1

STK048929
Synonyms: ethyl(2E)- 3- (2,3,4,9- tetrahydro- 1H- carbazol- 1- yl)prop- 2- enoate
Smiles: CCOC(=O)/C=C/C1CCCc2c1[nH]c1c2cccc1

STK048945
Synonyms: N,N'- (2- nitrobenzene- 1,4- diyl)bis(3- methylbenzamide)
Smiles: Cc1cccc(c1)C(=O)Nc1ccc(c(c1)[N+](=O)[O-])NC(=O)c1cccc(c1)C

STK048960
Synonyms: N- [4- ({2- [(3- methylphenoxy)acetyl]hydrazinyl}sulfonyl)phenyl]acetamide
Smiles: O=C(NNS(=O)(=O)c1ccc(cc1)NC(=O)C)COc1cccc(c1)C

STK048964
Synonyms: N- (2- nitrophenyl)- N'- (4- propoxyphenyl)butanediamide
Smiles: CCCOc1ccc(cc1)NC(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-]

STK048966
Synonyms: 4- [(2S,6S)- 2,6- bis(2- methylprop- 2- en- 1- yl)- 1,2,3,6- tetrahydropyridin- 4- yl]- 2,6- dimethylhepta- 1,6- dien- 4- amine
Smiles: CC(=C)C[C@@H]1N[C@@H](CC(=C)C)C=C(C1)C(CC(=C)C)(CC(=C)C)N

STK048967
Synonyms: (2E)- 2- cyano- 3- (3- ethoxy- 4- {2- [2- (prop- 2- en- 1- yl)phenoxy]ethoxy}phenyl)prop- 2- enamide
Smiles: C=CCc1ccccc1OCCOc1ccc(cc1OCC)/C=C(/C(=O)N)\C#N

STK048983
Synonyms: 4- [(5,6- dimethyl- 1H- benzimidazol- 1- yl)carbonyl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)n1cnc2c1cc(C)c(c2)C

STK049003
Synonyms: N- [2- (dimethylamino)ethyl]- N'- (thiophen- 2- ylmethyl)butanediamide
Smiles: CN(CCNC(=O)CCC(=O)NCc1cccs1)C

STK049022
Synonyms: 5- methyl- 6- phenyl- 3,4- dihydro- 2H- pyran- 2- one
Smiles: CC1=C(OC(=O)CC1)c1ccccc1

STK049026
Synonyms: N~2~,N~2~- dihexyl- N- (1- methyl- 2,3- dihydro- 1H- pyrrolo[2,3- b]quinolin- 4- yl)glycinamide
Smiles: CCCCCCN(CC(=O)Nc1c2CCN(c2nc2c1cccc2)C)CCCCCC

STK049053
Synonyms: (3E)- 3- (pyridin- 2- ylimino)- 1,3- dihydro- 2H- indol- 2- one
Smiles: O=C1Nc2c(/C/1=N\c1ccccn1)cccc2

STK049087
Synonyms: N- benzyl- N- tert- butyl- 4- methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)N(C(C)(C)C)Cc1ccccc1

STK049088
Synonyms: N- [(5- iodopyridin- 2- yl)carbamothioyl]- 2- (2- nitrophenoxy)acetamide
Smiles: O=C(NC(=S)Nc1ccc(cn1)I)COc1ccccc1[N+](=O)[O-]

STK049142
Synonyms: (4E)- 4- [4- (dimethylamino)benzylidene]- 5- methyl- 2- (4- phenyl- 1,3- thiazol- 2- yl)- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CC1=NN(C(=O)/C/1=C/c1ccc(cc1)N(C)C)c1scc(n1)c1ccccc1

STK049145
Synonyms: N- (2- chloro- 4- nitrophenyl)- 2- nitrobenzamide
Smiles: Clc1cc(ccc1NC(=O)c1ccccc1[N+](=O)[O-])[N+](=O)[O-]

STK049194
Synonyms: 5- (acetylamino)benzene- 1,3- diyldifuran- 2- carboxylate
Smiles: CC(=O)Nc1cc(cc(c1)OC(=O)c1ccco1)OC(=O)c1ccco1

STK049197
Synonyms: 2- (1H- benzimidazol- 2- ylsulfanyl)cyclohexanone
Smiles: O=C1CCCCC1Sc1nc2c([nH]1)cccc2

STK049221
Synonyms: 1,5- diamino- 2,7- di- tert- butylanthracene- 9,10- dione
Smiles: Nc1cc(cc2c1C(=O)c1ccc(c(c1C2=O)N)C(C)(C)C)C(C)(C)C

STK049250
Synonyms: N- [4- ({4- [2- (1H- indol- 1- ylacetyl)hydrazinyl]- 4- oxobutanoyl}amino)- 2,5- dimethoxyphenyl]benzamide
Smiles: COc1cc(NC(=O)c2ccccc2)c(cc1NC(=O)CCC(=O)NNC(=O)Cn1ccc2c1cccc2)OC

STK049273
Synonyms: [5- ethyl- 3- hydroxy- 3- (trifluoromethyl)- 3,3a,4,5,6,7- hexahydro- 2H- indazol- 2- yl](3- nitrophenyl)methanone
Smiles: CCC1CCC2=NN(C(C2C1)(O)C(F)(F)F)C(=O)c1cccc(c1)[N+](=O)[O-]

STK049287
Synonyms: N,N'- bis{(E)- [4- (dimethylamino)phenyl]methylidene}biphenyl- 4,4'- diamine
Smiles: CN(c1ccc(cc1)/C=N/c1ccc(cc1)c1ccc(cc1)/N=C/c1ccc(cc1)N(C)C)C

STK049289
Synonyms: N- [4- ({2- [(4- methoxyphenyl)carbonyl]hydrazinyl}sulfonyl)phenyl]acetamide
Smiles: COc1ccc(cc1)C(=O)NNS(=O)(=O)c1ccc(cc1)NC(=O)C

STK049306
Synonyms: 4- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- (2,4,6- trimethylphenyl)benzenesulfonamide
Smiles: O=C1N(c2ccc(cc2)S(=O)(=O)Nc2c(C)cc(cc2C)C)C(=O)c2c1cccc2

STK049310
Synonyms: (6Z)- 6- {3- chloro- 5- ethoxy- 4- [2- (4- methylphenoxy)ethoxy]benzylidene}- 5- imino- 2- (propan- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1ccc(cc1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(C)C

STK049324
Synonyms: N- (2- carbamoylphenyl)- 4- hydroxy- 1- methyl- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: NC(=O)c1ccccc1NC(=O)c1c(O)c2ccccc2n(c1=O)C

STK049333
Synonyms: [3- tert- butyl- 5- hydroxy- 5- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 1- yl](4- chlorophenyl)methanone
Smiles: O=C(N1N=C(CC1(O)C(F)(F)F)C(C)(C)C)c1ccc(cc1)Cl

STK049353
Synonyms: ethyl6- amino- 5- cyano- 2- (2- ethoxy- 2- oxoethyl)- 4- (3- ethoxy- 4- propoxyphenyl)- 4H- pyran- 3- carboxylate
Smiles: CCCOc1ccc(cc1OCC)C1C(=C(N)OC(=C1C(=O)OCC)CC(=O)OCC)C#N

STK049396
Synonyms: 4- {[(4- heptylphenyl)carbonyl]amino}- 9,10- dioxo- 9,10- dihydroanthracen- 1- yl4- heptylbenzoate
Smiles: CCCCCCCc1ccc(cc1)C(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)OC(=O)c1ccc(cc1)CCCCCCC

STK049414
Synonyms: ethyl7,11- dicyano- 10- oxo- 8- sulfanyl- 3,9- diazaspiro[5.5]undec- 7- ene- 3- carboxylate
Smiles: CCOC(=O)N1CCC2(CC1)C(C#N)C(=O)NC(=C2C#N)S

STK049470
Synonyms: (3R,3aS,4S)- 3- hydroxy- 6,8a- dimethyl- 3- (propan- 2- yl)- 1,2,3,3a,4,5,8,8a- octahydroazulen- 4- yl3,4,5- trimethoxybenzoate
Smiles: COc1c(OC)cc(cc1OC)C(=O)O[C@H]1CC(=CCC2([C@@H]1[C@@](O)(CC2)C(C)C)C)C

STK049511
Synonyms: 3- (2,6- dichlorophenyl)- N- (2- methoxyethyl)- 5- methyl- 1,2- oxazole- 4- carboxamide
Smiles: COCCNC(=O)c1c(C)onc1c1c(Cl)cccc1Cl

STK049531
Synonyms: 2- (4- hydroxyphenyl)- 1,2,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4- ol
Smiles: Oc1ccc(cc1)C1N=C(O)c2c(N1)sc1c2CCCC1

STK049581
Synonyms: N'- butanoyl- 4- hydroxy- 1- methyl- 2- oxo- 1,2- dihydroquinoline- 3- carbohydrazide
Smiles: CCCC(=O)NNC(=O)c1c(O)c2ccccc2n(c1=O)C

STK049593
Synonyms: (2E)- N- benzyl- 2- cyano- 3- {2- methyl- 1- [2- (4- methylphenoxy)ethyl]- 1H- indol- 3- yl}prop- 2- enamide
Smiles: N#C/C(=C\c1c(C)n(c2c1cccc2)CCOc1ccc(cc1)C)/C(=O)NCc1ccccc1

STK049665
Synonyms: (3E)- 3- {2- [(2- chlorophenyl)carbonyl]hydrazinylidene}- N- (4- methylpyridin- 2- yl)butanamide
Smiles: O=C(Nc1nccc(c1)C)C/C(=N/NC(=O)c1ccccc1Cl)/C

STK049668
Synonyms: (4E)- 4- [2- (2- hydroxy- 4- methylphenyl)hydrazinylidene]- 3- (4- nitrophenyl)- 5- oxo- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: Cc1ccc(c(c1)O)N/N=C/1\C(=NN(C1=O)C(=S)N)c1ccc(cc1)[N+](=O)[O-]

STK049678
Synonyms: N- [3- (diethylamino)propyl]- N'- (4- nitrophenyl)butanediamide
Smiles: CCN(CCCNC(=O)CCC(=O)Nc1ccc(cc1)[N+](=O)[O-])CC

STK049683
Synonyms: 4- ({4- [2- (2- acetylhydrazinyl)- 1,3- thiazol- 4- yl]phenyl}amino)- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)Nc1ccc(cc1)c1csc(n1)NNC(=O)C

STK049698
Synonyms: N- (thiophen- 2- ylmethyl)butanediamide
Smiles: O=C(NCc1cccs1)CCC(=O)N

STK049699
Synonyms: 1- (2,4- dimethoxybenzyl)- N- (4- methoxybenzyl)piperidine- 4- carboxamide
Smiles: COc1ccc(cc1)CNC(=O)C1CCN(CC1)Cc1ccc(cc1OC)OC

STK049706
Synonyms: (6Z)- 6- {3- bromo- 4- [2- (2,4- dimethylphenoxy)ethoxy]- 5- ethoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1ccc(cc1C)C)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK049720
Synonyms: N- (1- methoxypropan- 2- yl)- 1- [(2E)- 3- phenylprop- 2- en- 1- yl]piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)C/C=C/c1ccccc1)C

STK049721
Synonyms: N,N'- bis[4- (phenylamino)phenyl]pentanediamide
Smiles: O=C(Nc1ccc(cc1)Nc1ccccc1)CCCC(=O)Nc1ccc(cc1)Nc1ccccc1

STK049755
Synonyms: N- (prop- 2- en- 1- yl)- N'- (pyridin- 2- ylmethyl)butanediamide
Smiles: C=CCNC(=O)CCC(=O)NCc1ccccn1

STK049776
Synonyms: 2- (3- bromo- 5- chloro- 2- hydroxyphenyl)- 1,2,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4- ol
Smiles: Clc1cc(Br)c(c(c1)C1N=C(O)c2c(N1)sc1c2CCCC1)O

STK049806
Synonyms: N- {[4- (5,7- dimethyl- 1,3- benzoxazol- 2- yl)phenyl]carbamothioyl}- 3- methoxynaphthalene- 2- carboxamide
Smiles: COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(cc1)c1nc2c(o1)c(C)cc(c2)C

STK049810
Synonyms: 3- (piperidin- 1- ylmethyl)pyridine
Smiles: C1CCN(CC1)Cc1cccnc1

STK049813
Synonyms: N- (4- fluorobenzyl)- N'- (3- methylbutyl)butanediamide
Smiles: CC(CCNC(=O)CCC(=O)NCc1ccc(cc1)F)C

STK049821
Synonyms: 1,3- dimethyl- 8- [(2- phenylethyl)sulfanyl]- 3,9- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c2[nH]c(nc2c(=O)n(c1=O)C)SCCc1ccccc1

STK049823
Synonyms: 1- (4- chlorophenyl)- 3- (4- methoxy- 2- nitrophenyl)urea
Smiles: COc1ccc(c(c1)[N+](=O)[O-])NC(=O)Nc1ccc(cc1)Cl

STK049860
Synonyms: N'- [(E)- {4- [3- (2- chlorophenoxy)propoxy]phenyl}methylidene]acetohydrazide
Smiles: CC(=O)N/N=C/c1ccc(cc1)OCCCOc1ccccc1Cl

STK049864
Synonyms: 6- chloro- 3- {[4- ethyl- 5- (2- methylpropyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 4- phenylquinolin- 2(1H)- one
Smiles: CCn1c(nnc1CC(C)C)Sc1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl

STK049866
Synonyms: [5- methyl- 1- (4- methylpent- 3- en- 1- yl)- 2- oxabicyclo[2.2.2]oct- 4- yl]methylacetate
Smiles: CC(=O)OCC12CCC(OC1)(CC2C)CCC=C(C)C

STK049869
Synonyms: 3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- N- (tetrahydrofuran- 2- ylmethyl)propanamide
Smiles: O=c1ccccn1C(C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)NCC1CCCO1

STK049870
Synonyms: N- (4- bromophenyl)- 5- chloro- 2- {[(4- methoxyphenyl)carbonyl]amino}benzamide
Smiles: COc1ccc(cc1)C(=O)Nc1ccc(cc1C(=O)Nc1ccc(cc1)Br)Cl

STK049871
Synonyms: 1- [3- (benzyloxy)benzyl]- 4- methylpiperidine
Smiles: CC1CCN(CC1)Cc1cccc(c1)OCc1ccccc1

STK049876
Synonyms: 5- bromo- 2- hydroxybenzonitrile
Smiles: N#Cc1cc(Br)ccc1O

STK049881
Synonyms: 2- amino- 6- ethyl- 4,5,6,7- tetrahydrothieno[2,3- c]pyridine- 3- carbonitrile
Smiles: CCN1CCc2c(C1)sc(c2C#N)N

STK049884
Synonyms: 1- (1,3- benzodioxol- 5- ylmethyl)- N- butylpiperidine- 4- carboxamide
Smiles: CCCCNC(=O)C1CCN(CC1)Cc1ccc2c(c1)OCO2

STK049923
Synonyms: 3- (2- chloro- 6- fluorobenzyl)- 5- (3,4- dimethoxyphenyl)- 1,2,4- oxadiazole
Smiles: COc1ccc(cc1OC)c1onc(n1)Cc1c(F)cccc1Cl

STK049939
Synonyms: 4- {(E)- [2- (4- amino- 5- ethyl- 4H- 1,2,4- triazol- 3- yl)hydrazinylidene]methyl}benzene- 1,3- dioldihydrochloride
Smiles: CCc1nnc(n1N)N/N=C/c1ccc(cc1O)O.Cl.Cl

STK049944
Synonyms: 2- chloro- N- [3- ([1,3]oxazolo[4,5- b]pyridin- 2- yl)phenyl]benzamide
Smiles: O=C(c1ccccc1Cl)Nc1cccc(c1)c1nc2c(o1)cccn2

STK049976
Synonyms: (6Z)- 6- {[5- (3- chlorophenyl)furan- 2- yl]methylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1cccc(c1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK049978
Synonyms: (3E)- 3- (3- ethoxy- 4- hydroxybenzylidene)- 5- (4- ethoxyphenyl)furan- 2(3H)- one
Smiles: CCOc1ccc(cc1)C1=C/C(=C\c2ccc(c(c2)OCC)O)/C(=O)O1

STK049982
Synonyms: (6Z)- 5- imino- 6- [3- methoxy- 4- (1- phenylethoxy)benzylidene]- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OC(c1ccccc1)C)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK049985
Synonyms: N,N',N''- tri- tert- butyl- 2,4,6- trinitrobenzene- 1,3,5- triamine
Smiles: CC(Nc1c([N+](=O)[O-])c(NC(C)(C)C)c(c(c1[N+](=O)[O-])NC(C)(C)C)[N+](=O)[O-])(C)C

STK050010
Synonyms: 5- (1,3- benzoxazol- 2- yl)- 2- (4- {5- [5- (1,3- benzoxazol- 2- yl)- 1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl]- 1H- benzimidazol- 2- yl}phenyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1c2ccc(cc2C(=O)N1c1ccc(cc1)c1nc2c([nH]1)ccc(c2)N1C(=O)c2c(C1=O)ccc(c2)c1nc2c(o1)cccc2)c1nc2c(o1)cccc2

STK050031
Synonyms: N'- [(E)- (2,3- dihydroxyphenyl)methylidene]- 2- iodobenzohydrazide
Smiles: Oc1c(/C=N/NC(=O)c2ccccc2I)cccc1O

STK050037
Synonyms: (4E)- 4- [2- (benzyloxy)benzylidene]- 3- methyl- 1,2- oxazol- 5(4H)- one
Smiles: O=C1ON=C(/C/1=C\c1ccccc1OCc1ccccc1)C

STK050057
Synonyms: methylN- [(3- nitrophenyl)carbonyl]leucinate
Smiles: COC(=O)C(NC(=O)c1cccc(c1)[N+](=O)[O-])CC(C)C

STK050069
Synonyms: 2- {[1- (3- chloro- 4- methoxyphenyl)- 2- methoxy- 2- oxoethyl]carbamoyl}cyclohex- 1- ene- 1- carboxylicacid
Smiles: COC(=O)C(c1ccc(c(c1)Cl)OC)NC(=O)C1=C(CCCC1)C(=O)O

STK050086
Synonyms: ethylS- [1- (3,5- dichlorophenyl)- 2,5- dioxopyrrolidin- 3- yl]cysteinate
Smiles: CCOC(=O)C(CSC1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N

STK050121
Synonyms: N- acridin- 9- ylleucine
Smiles: CC(CC(C(=O)O)Nc1c2ccccc2nc2c1cccc2)C

STK050134
Synonyms: 4- chloro- 3- (5- {(Z)- [2- (pentafluorophenyl)hydrazinylidene]methyl}furan- 2- yl)benzoicacid
Smiles: Clc1ccc(cc1c1ccc(o1)/C=N\Nc1c(F)c(F)c(c(c1F)F)F)C(=O)O

STK050145
Synonyms: 1,3- dimethyl- 5- (3,4,5- trimethoxyphenyl)- 5,11- dihydro- 1H- indeno[2',1':5,6]pyrido[2,3- d]pyrimidine- 2,4,6(3H)- trione
Smiles: COc1c(OC)cc(cc1OC)C1C2=C(Nc3c1c(=O)n(c(=O)n3C)C)c1c(C2=O)cccc1

STK050212
Synonyms: 2- [(4- benzylpiperidin- 1- yl)methyl]- 6- ethoxyphenol
Smiles: CCOc1cccc(c1O)CN1CCC(CC1)Cc1ccccc1

STK050226
Synonyms: 3- {2- [(4,6- dimethylpyrimidin- 2- yl)amino]- 4- (4- methoxyphenyl)- 1,3- thiazol- 5- yl}propanoicacid
Smiles: COc1ccc(cc1)c1nc(sc1CCC(=O)O)Nc1nc(C)cc(n1)C

STK050231
Synonyms: 2- (naphthalen- 2- yloxy)- N- (1,3- thiazol- 2- ylcarbamothioyl)acetamide
Smiles: O=C(NC(=S)Nc1nccs1)COc1ccc2c(c1)cccc2

STK050235
Synonyms: 2- [(2- hydroxyethyl)amino]- 3,6,6- trimethyl- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: OCCNc1nc2sc3c(c2c(=O)n1C)CC(SC3)(C)C

STK050260
Synonyms: 5- ethyl- 1,3- dihydro- 2H- 1,4- benzodiazepin- 2- one
Smiles: CCC1=NCC(=O)Nc2c1cccc2

STK050288
Synonyms: 5- [(2- methyl- 1- {2- [2- (prop- 2- en- 1- yl)phenoxy]ethyl}- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: C=CCc1ccccc1OCCn1c2ccccc2c(c1C)C=C1C(=O)NC(=O)NC1=O

STK050290
Synonyms: 4- {(E)- [(4- bromophenyl)imino]methyl}benzene- 1,3- diol
Smiles: Brc1ccc(cc1)/N=C/c1ccc(cc1O)O

STK050303
Synonyms: 4- {[(E)- (5- nitrothiophen- 2- yl)methylidene]amino}benzonitrile
Smiles: N#Cc1ccc(cc1)/N=C/c1ccc(s1)[N+](=O)[O-]

STK050357
Synonyms: N- [3- (1H- imidazol- 1- yl)propyl]- 1- [3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropanoyl]piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)NCCCn1cncc1

STK050360
Synonyms: 2,2'- (1,3,4- thiadiazole- 2,5- diyldisulfanediyl)bis[1- (9H- fluoren- 2- yl)ethanone]
Smiles: O=C(c1ccc2c(c1)Cc1c2cccc1)CSc1nnc(s1)SCC(=O)c1ccc2c(c1)Cc1c2cccc1

STK050364
Synonyms: 4- {(E)- [3- (trifluoromethyl)phenyl]diazenyl}benzaldehyde
Smiles: O=Cc1ccc(cc1)/N=N/c1cccc(c1)C(F)(F)F

STK050365
Synonyms: (2- hydroxy- 3- methoxybenzylidene)propanedinitrile
Smiles: COc1cccc(c1O)C=C(C#N)C#N

STK050374
Synonyms: 2- (4- heptylphenyl)- 5- undecyl- 1,3,4- oxadiazole
Smiles: CCCCCCCCCCCc1nnc(o1)c1ccc(cc1)CCCCCCC

STK050415
Synonyms: N- [(E)- 1,3- benzodioxol- 5- ylmethylidene]pyridin- 2- amine
Smiles: c1ccc(nc1)/N=C/c1ccc2c(c1)OCO2

STK050434
Synonyms: 2- (4- nitrobenzyl)- 1H- benzimidazole
Smiles: [O-][N+](=O)c1ccc(cc1)Cc1nc2c([nH]1)cccc2

STK050436
Synonyms: 4,7- bis(4- chlorophenyl)- 2- (4- fluorophenyl)- 5,6- diphenyl- 3a,4,7,7a- tetrahydro- 1H- 4,7- methanoisoindole- 1,3,8(2H)- trione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C1(C(=O)C2(c2ccc(cc2)Cl)C(=C1c1ccccc1)c1ccccc1)c1ccc(cc1)Cl

STK050439
Synonyms: N- [3- (5,7- dimethyl- 1,3- benzoxazol- 2- yl)phenyl]- 2- (4- methoxyphenoxy)acetamide
Smiles: COc1ccc(cc1)OCC(=O)Nc1cccc(c1)c1nc2c(o1)c(C)cc(c2)C

STK050507
Synonyms: 1- (1H- benzotriazol- 1- yl)- 2- (4- fluorophenyl)ethanone
Smiles: Fc1ccc(cc1)CC(=O)n1nnc2c1cccc2

STK050525
Synonyms: 1- cyano- 2- phenylpropan- 2- yl4- chlorobenzoate
Smiles: N#CCC(c1ccccc1)(OC(=O)c1ccc(cc1)Cl)C

STK050536
Synonyms: 2- [(2E)- 2- {4- [(2,4- dichlorobenzyl)oxy]benzylidene}hydrazinyl]- 2- oxo- N- (propan- 2- yl)acetamide
Smiles: CC(NC(=O)C(=O)N/N=C/c1ccc(cc1)OCc1ccc(cc1Cl)Cl)C

STK050537
Synonyms: 1- (2- chloroethyl)- 3,5- dimethyl- 1H- pyrazole
Smiles: Cc1cc(nn1CCCl)C

STK050574
Synonyms: N'- {1- [2- (4- chlorophenyl)ethyl]- 3,4- dimethyl- 5- oxo- 2,5- dihydro- 1H- pyrrol- 2- yl}- 4- methylbenzenesulfonohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)NNC1C(=C(C(=O)N1CCc1ccc(cc1)Cl)C)C

STK050619
Synonyms: (4- methylpiperidin- 1- yl)[1- (pyridin- 2- ylmethyl)piperidin- 4- yl]methanone
Smiles: CC1CCN(CC1)C(=O)C1CCN(CC1)Cc1ccccn1

STK050627
Synonyms: N- [bis(2- bromo- 4,5- dimethoxyphenyl)methyl]formamide
Smiles: COc1cc(c(cc1OC)Br)C(c1cc(OC)c(cc1Br)OC)NC=O

STK050631
Synonyms: 2- (benzylamino)- 6- bromo- 4,8- dimethylpyrido[2,3- d]pyrimidin- 7(8H)- one
Smiles: Cc1nc(NCc2ccccc2)nc2c1cc(Br)c(=O)n2C

STK050632
Synonyms: (5- hydroxy- 6- methyl- 4- {(E)- [(2- methylphenyl)imino]methyl}pyridin- 3- yl)methyldihydrogenphosphate
Smiles: Cc1ncc(c(c1O)/C=N/c1ccccc1C)COP(=O)(O)O

STK050637
Synonyms: 2- chloro- 5- ({[(4- methoxyphenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: COc1ccc(cc1)C(=O)NC(=S)Nc1ccc(c(c1)C(=O)O)Cl

STK050656
Synonyms: 3- bromo- N- [4- (4- methoxyphenyl)- 5- methyl- 1,3- thiazol- 2- yl]benzamide
Smiles: COc1ccc(cc1)c1nc(sc1C)NC(=O)c1cccc(c1)Br

STK050677
Synonyms: 3- [2- (4- chlorophenyl)- 2- oxoethyl]- 3- hydroxy- 1- (prop- 2- en- 1- yl)- 1,3- dihydro- 2H- indol- 2- one
Smiles: C=CCN1c2ccccc2C(C1=O)(O)CC(=O)c1ccc(cc1)Cl

STK050688
Synonyms: (2E)- 3- (2- methylphenyl)- 1- (morpholin- 4- yl)prop- 2- en- 1- one
Smiles: O=C(N1CCOCC1)/C=C/c1ccccc1C

STK050710
Synonyms: 4- {4- [({3,5- bis[(phenylcarbonyl)amino]phenyl}carbonyl)amino]phenoxy}benzene- 1,2- dicarboxylicacid
Smiles: O=C(c1cc(cc(c1)NC(=O)c1ccccc1)NC(=O)c1ccccc1)Nc1ccc(cc1)Oc1ccc(c(c1)C(=O)O)C(=O)O

STK050711
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 1- (naphthalen- 1- ylmethyl)piperidine- 4- carboxamide
Smiles: COc1cc(CCNC(=O)C2CCN(CC2)Cc2cccc3c2cccc3)ccc1OC

STK050714
Synonyms: N- [4- (hexyloxy)phenyl]- 2- (3- oxo- 1,2,3,4- tetrahydroquinoxalin- 2- yl)acetamide
Smiles: CCCCCCOc1ccc(cc1)NC(=O)CC1Nc2ccccc2NC1=O

STK050721
Synonyms: 2- [(4- benzylpiperidin- 1- yl)carbonyl]phenylacetate
Smiles: CC(=O)Oc1ccccc1C(=O)N1CCC(CC1)Cc1ccccc1

STK050729
Synonyms: 4- ({4- chloro- 2- [(4,6- dioxo- 2- thioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]phenoxy}methyl)benzonitrile
Smiles: N#Cc1ccc(cc1)COc1ccc(cc1C=C1C(=O)NC(=S)NC1=O)Cl

STK050776
Synonyms: 3- (1H- pyrazolo[3,4- d]pyrimidin- 4- ylamino)benzoicacid
Smiles: OC(=O)c1cccc(c1)Nc1ncnc2c1cn[nH]2

STK050817
Synonyms: (2E)- 3- (naphthalen- 1- yl)- N,N- dioctylprop- 2- enamide
Smiles: CCCCCCCCN(C(=O)/C=C/c1cccc2c1cccc2)CCCCCCCC

STK050834
Synonyms: (2Z)- 2- (3- hydroxybenzylidene)- 6,7- dimethyl[1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: Oc1cccc(c1)/C=c/1\sc2n(c1=O)c1c(n2)cc(c(c1)C)C

STK050861
Synonyms: 1- (2- methoxybenzyl)- N- (1- methoxypropan- 2- yl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1ccccc1OC)C

STK050868
Synonyms: 2,9- dibromodibenzo[c,pqr]tetraphene- 7,14- dione
Smiles: Brc1ccc2c(c1)C(=O)c1c3c2ccc2c3c(cc1)c1c(C2=O)cc(cc1)Br

STK050874
Synonyms: N- (2- chlorobenzyl)- 1- (cyclohexylmethyl)piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)CC1CCCCC1)NCc1ccccc1Cl

STK050883
Synonyms: N- (1,3- benzothiazol- 2- yl)- 4- butylcyclohexanecarboxamide
Smiles: CCCCC1CCC(CC1)C(=O)Nc1nc2c(s1)cccc2

STK050893
Synonyms: 2- (4- butylphenyl)- 5- (2- methylphenyl)- 1,3,4- oxadiazole
Smiles: CCCCc1ccc(cc1)c1nnc(o1)c1ccccc1C

STK050905
Synonyms: 2- [(5- amino- 1,3,4- thiadiazol- 2- yl)sulfanyl]- N- (2,5- dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nnc(s1)N

STK050925
Synonyms: 6- ethyl- 2- (4- methoxyphenyl)- 7- methyl- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 5- one
Smiles: CCc1c(C)nc2n(c1=O)nc(s2)c1ccc(cc1)OC

STK050933
Synonyms: N'- [(E)- 1H- indol- 3- ylmethylidene]- 3- methylbutanehydrazide
Smiles: CC(CC(=O)N/N=C/c1c[nH]c2c1cccc2)C

STK050935
Synonyms: N'- {[4- (hexadecyloxy)phenyl]carbonyl}- 4'- methoxybiphenyl- 4- carbohydrazide
Smiles: CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)NNC(=O)c1ccc(cc1)c1ccc(cc1)OC

STK050945
Synonyms: ethyl4- {[1- (3- ethoxy- 4- hydroxybenzyl)piperidin- 4- yl]carbonyl}piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)Cc1ccc(c(c1)OCC)O

STK050953
Synonyms: N- [3- (1H- benzimidazol- 2- yl)phenyl]- 2- chlorobenzamide
Smiles: O=C(c1ccccc1Cl)Nc1cccc(c1)c1nc2c([nH]1)cccc2

STK050971
Synonyms: [3- (acetyloxy)- 2,3- diphenylpropyl](chloro)mercury
Smiles: Cl[Hg]CC(C(c1ccccc1)OC(=O)C)c1ccccc1

STK050995
Synonyms: ethyl3- (4- ethoxybenzyl)- 2,4- dimethylcyclopenta- 1,3- diene- 1- carboxylate
Smiles: CCOc1ccc(cc1)CC1=C(C)CC(=C1C)C(=O)OCC

STK051046
Synonyms: 4- bromo- N- (4- methoxy- 2- nitrophenyl)benzenesulfonamide
Smiles: COc1ccc(c(c1)[N+](=O)[O-])NS(=O)(=O)c1ccc(cc1)Br

STK051074
Synonyms: 3- benzyl- 2- [(Z)- (5- methoxy- 1,2- dimethyl- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]quinazolin- 4(3H)- one
Smiles: COc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1Cc1ccccc1)/C(N2C)C

STK051087
Synonyms: 1- (3,4- dichlorophenyl)- 3- (propan- 2- yloxy)thiourea
Smiles: CC(ONC(=S)Nc1ccc(c(c1)Cl)Cl)C

STK051116
Synonyms: 3- methyl- 4H- [1,2,4]oxadiazino[5,6- b]quinoxaline
Smiles: CC1=NOc2c(N1)nc1c(n2)cccc1

STK051122
Synonyms: 2- {[1- (4- methylbenzyl)- 1H- benzimidazol- 2- yl]sulfanyl}- N'- {(E)- [4- (trifluoromethyl)phenyl]methylidene}acetohydrazide
Smiles: O=C(CSc1nc2c(n1Cc1ccc(cc1)C)cccc2)N/N=C/c1ccc(cc1)C(F)(F)F

STK051137
Synonyms: 2- [5- (2,4- dichlorophenyl)- 4,5- dihydro- 1H- pyrazol- 3- yl]- 5- methoxyphenol
Smiles: COc1ccc(c(c1)O)C1=NNC(C1)c1ccc(cc1Cl)Cl

STK051154
Synonyms: 1- (phenylcarbonyl)- 1H- indole- 2,3- dione
Smiles: O=C(N1c2ccccc2C(=O)C1=O)c1ccccc1

STK051181
Synonyms: {3- [(E)- (1- {2- [(4- methylphenyl)amino]- 2- oxoethyl}- 2,5- dioxoimidazolidin- 4- ylidene)methyl]- 1H- indol- 1- yl}aceticacid
Smiles: O=C(CN1C(=O)N/C(=C/c2cn(c3c2cccc3)CC(=O)O)/C1=O)Nc1ccc(cc1)C

STK051185
Synonyms: 5- oxo- 1- [4- (propan- 2- yl)benzyl]pyrrolidine- 3- carboxylicacid
Smiles: CC(c1ccc(cc1)CN1CC(CC1=O)C(=O)O)C

STK051186
Synonyms: N- (1,3- benzodioxol- 5- ylmethyl)- N'- (4- methoxybenzyl)butanediamide
Smiles: COc1ccc(cc1)CNC(=O)CCC(=O)NCc1ccc2c(c1)OCO2

STK051206
Synonyms: 1- (2- hydroxy- 4- nitrophenyl)- 4- (2- methyl- 4- oxopentan- 2- yl)- 1H- tetrazol- 4- ium
Smiles: CC(=O)CC([n+]1nnn(c1)c1ccc(cc1O)[N+](=O)[O-])(C)C

STK051210
Synonyms: 1- (1,3- benzodioxol- 5- ylmethyl)- N- (tetrahydrofuran- 2- ylmethyl)piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)Cc1ccc2c(c1)OCO2)NCC1CCCO1

STK051242
Synonyms: (2E)- N- benzyl- 3- [4- (dimethylamino)phenyl]- N- methyl- 2- (2- oxopyridin- 1(2H)- yl)prop- 2- enamide
Smiles: O=C(/C(=C\c1ccc(cc1)N(C)C)/n1ccccc1=O)N(Cc1ccccc1)C

STK051313
Synonyms: (5E)- 5- {[1- (4- nitrophenyl)- 1H- pyrrol- 2- yl]methylidene}imidazolidine- 2,4- dione
Smiles: O=C1NC(=O)/C(=C\c2cccn2c2ccc(cc2)[N+](=O)[O-])/N1

STK051334
Synonyms: 1- (4- bromophenyl)- N- (2- fluorophenyl)- 5- oxopyrrolidine- 3- carboxamide
Smiles: O=C(C1CC(=O)N(C1)c1ccc(cc1)Br)Nc1ccccc1F

STK051339
Synonyms: N- [3- chloro- 4- (pyrrolidin- 1- yl)phenyl]- 2- (naphthalen- 2- yloxy)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)N1CCCC1)COc1ccc2c(c1)cccc2

STK051364
Synonyms: 1- {3- methyl- 3- [(2- methylbutan- 2- yl)peroxy]but- 1- yn- 1- yl}cyclopentylbenzoate
Smiles: CCC(OOC(C#CC1(CCCC1)OC(=O)c1ccccc1)(C)C)(C)C

STK051382
Synonyms: N- (3- ethoxypropyl)- 1- [(3- methylthiophen- 2- yl)methyl]piperidine- 4- carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)Cc1sccc1C

STK051402
Synonyms: 2- [hydroxy(2- methyl- 1H- indol- 3- yl)methyl]benzoicacid
Smiles: OC(=O)c1ccccc1C(c1c(C)[nH]c2c1cccc2)O

STK051451
Synonyms: (5Z)- 2- (4- methylpiperidin- 1- yl)- 5- (3- nitrobenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: CC1CCN(CC1)C1=NC(=O)/C(=C/c2cccc(c2)[N+](=O)[O-])/S1

STK051455
Synonyms: (6Z)- 5- imino- 6- (4- methylbenzylidene)- 2- (trifluoromethyl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F

STK051473
Synonyms: 1- (4- bromo- 3- chlorophenyl)- 1H- pyrrole- 2,5- dione
Smiles: O=C1C=CC(=O)N1c1ccc(c(c1)Cl)Br

STK051515
Synonyms: 1,1'- oxybis(4- ethenylbenzene)
Smiles: C=Cc1ccc(cc1)Oc1ccc(cc1)C=C

STK051522
Synonyms: 3- [(2- cyanoethyl)amino]naphthalene- 2- carboxylicacid
Smiles: N#CCCNc1cc2ccccc2cc1C(=O)O

STK051547
Synonyms: [1- (4- methoxybenzyl)piperidin- 4- yl](4- phenylpiperazin- 1- yl)methanone
Smiles: COc1ccc(cc1)CN1CCC(CC1)C(=O)N1CCN(CC1)c1ccccc1

STK051557
Synonyms: 3,7- bis(2- bromobenzyl)- 1,5- dimethyl- 3,7- diazabicyclo[3.3.1]nonane
Smiles: Brc1ccccc1CN1CC2(C)CN(CC(C1)(C2)C)Cc1ccccc1Br

STK051579
Synonyms: 3- nitro- N- {[3- (pentanoylamino)phenyl]carbamothioyl}benzamide
Smiles: CCCCC(=O)Nc1cccc(c1)NC(=S)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK051600
Synonyms: N- [3- cyano- 1- (furan- 2- ylmethyl)- 4,5- diphenyl- 1H- pyrrol- 2- yl]- 2- ({[(E)- (4- methoxyphenyl)methylidene]amino}oxy)acetamide
Smiles: COc1ccc(cc1)/C=N/OCC(=O)Nc1c(C#N)c(c(n1Cc1ccco1)c1ccccc1)c1ccccc1

STK051605
Synonyms: (2E)- 2- cyano- 3- [2- (dimethylamino)- 5- nitrophenyl]- N- [5- (trifluoromethyl)- 1,3,4- thiadiazol- 2- yl]prop- 2- enamide
Smiles: N#C/C(=C\c1cc(ccc1N(C)C)[N+](=O)[O-])/C(=O)Nc1nnc(s1)C(F)(F)F

STK051612
Synonyms: N- (5- cyclohexyl- 1,3,4- thiadiazol- 2- yl)- 2,4- dimethoxybenzamide
Smiles: COc1cc(OC)ccc1C(=O)Nc1nnc(s1)C1CCCCC1

STK051621
Synonyms: 6- chloro- N- phenyl- 1,3,5- triazine- 2,4- diamine
Smiles: Nc1nc(Nc2ccccc2)nc(n1)Cl

STK051660
Synonyms: 6- chloro- N,N'- bis(2,4- difluorophenyl)- 1,3,5- triazine- 2,4- diamine
Smiles: Fc1ccc(c(c1)F)Nc1nc(nc(n1)Cl)Nc1ccc(cc1F)F

STK051673
Synonyms: N- {4- [(4,6- dimethylpyrimidin- 2- yl)sulfamoyl]phenyl}- 2,2- dimethylpropanamide
Smiles: Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)C(C)(C)C

STK051675
Synonyms: N- [(1E,2E)- 3- (4- bromophenyl)prop- 2- en- 1- ylidene]- 2- phenyl- 1,3- benzoxazol- 5- amine
Smiles: Brc1ccc(cc1)/C=C/C=N/c1ccc2c(c1)nc(o2)c1ccccc1

STK051680
Synonyms: N,N'- [9,10- dioxo- 4,5- bis(pentylamino)- 9,10- dihydroanthracene- 1,8- diyl]bis[4- (4- pentylcyclohexyl)benzamide]
Smiles: CCCCCNc1ccc(c2c1C(=O)c1c(C2=O)c(ccc1NCCCCC)NC(=O)c1ccc(cc1)C1CCC(CC1)CCCCC)NC(=O)c1ccc(cc1)C1CCC(CC1)CCCCC

STK051703
Synonyms: 2- (4- methylphenyl)- 5,7- bis(trifluoromethyl)pyrazolo[1,5- a]pyrimidine
Smiles: Cc1ccc(cc1)c1nn2c(c1)nc(cc2C(F)(F)F)C(F)(F)F

STK051712
Synonyms: 2- (2,3- dimethylcyclohexyl)- 3- (ethylsulfanyl)- 2,3- dihydro- 1H- isoindol- 1- one
Smiles: CCSC1N(C2CCCC(C2C)C)C(=O)c2c1cccc2

STK051725
Synonyms: 3- bromo- N- {2- chloro- 5- [5- (propan- 2- yl)- 1,3- benzoxazol- 2- yl]phenyl}- 4- methoxybenzamide
Smiles: COc1ccc(cc1Br)C(=O)Nc1cc(ccc1Cl)c1nc2c(o1)ccc(c2)C(C)C

STK051736
Synonyms: 2- [(4,6- dimethylpyrimidin- 2- yl)sulfanyl]- N'- {(E)- [1- (2- fluorobenzyl)- 1H- indol- 3- yl]methylidene}acetohydrazide
Smiles: O=C(CSc1nc(C)cc(n1)C)N/N=C/c1cn(c2c1cccc2)Cc1ccccc1F

STK051760
Synonyms: 4- {(E)- [(4- iodophenyl)imino]methyl}phenol
Smiles: Oc1ccc(cc1)/C=N/c1ccc(cc1)I

STK051771
Synonyms: (2E)- 3- (2,4- dichlorophenyl)- N- [2- methyl- 3- ([1,3]oxazolo[4,5- b]pyridin- 2- yl)phenyl]prop- 2- enamide
Smiles: O=C(Nc1cccc(c1C)c1nc2c(o1)cccn2)/C=C/c1ccc(cc1Cl)Cl

STK051777
Synonyms: methyl2- (5- {(E)- [2- (prop- 2- en- 1- ylcarbamothioyl)hydrazinylidene]methyl}furan- 2- yl)benzoate
Smiles: C=CCNC(=S)N/N=C/c1ccc(o1)c1ccccc1C(=O)OC

STK051795
Synonyms: (4Z)- 4- [(4- chlorophenyl)imino]- 8- methyl- 1- phenyl- 1,3- diazaspiro[4.5]decane- 2- thione
Smiles: CC1CCC2(CC1)/C(=N/c1ccc(cc1)Cl)/NC(=S)N2c1ccccc1

STK051796
Synonyms: N- ethyl- 4- methyl- N- (3- methylphenyl)benzenesulfonamide
Smiles: CCN(S(=O)(=O)c1ccc(cc1)C)c1cccc(c1)C

STK051797
Synonyms: N- {4- [(3- phenylpenta- 1,4- dien- 3- yl)sulfamoyl]phenyl}acetamide
Smiles: C=CC(c1ccccc1)(NS(=O)(=O)c1ccc(cc1)NC(=O)C)C=C

STK051802
Synonyms: N~3~- [(E)- phenylmethylidene]- 1H- 1,2,4- triazole- 3,5- diamine
Smiles: Nc1[nH]nc(n1)/N=C/c1ccccc1

STK051804
Synonyms: (2E)- 2- {4- [(3- methylbenzyl)oxy]benzylidene}[1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: Cc1cccc(c1)COc1ccc(cc1)/C=c\1/sc2n(c1=O)c1c(n2)cccc1

STK051805
Synonyms: 6- amino- 4- (1,3- diphenyl- 1H- pyrazol- 4- yl)- 3- methyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cn(nc1c1ccccc1)c1ccccc1)c(C)n[nH]2

STK051856
Synonyms: ethyl(3- {(Z)- [5- (4- ethoxyphenyl)- 7- methyl- 3- oxo- 6- (phenylcarbamoyl)- 5H- [1,3]thiazolo[3,2- a]pyrimidin- 2(3H)- ylidene]methyl}- 2- methyl- 1H- indol- 1- yl)acetate
Smiles: CCOC(=O)Cn1c2ccccc2c(c1C)/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OCC)C(=O)Nc1ccccc1)C

STK051861
Synonyms: 3- [1- (2- chloro- 3- methylphenyl)- 5- phenyl- 1H- pyrrol- 2- yl]propanoicacid
Smiles: OC(=O)CCc1ccc(n1c1cccc(c1Cl)C)c1ccccc1

STK051904
Synonyms: 2- chloro- 5- ({[(3- propoxyphenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: CCCOc1cccc(c1)C(=O)NC(=S)Nc1ccc(c(c1)C(=O)O)Cl

STK051911
Synonyms: 4- nitro- N- {2- [(4- phenyl- 1,2,5- oxadiazol- 3- yl)oxy]ethyl}aniline
Smiles: [O-][N+](=O)c1ccc(cc1)NCCOc1nonc1c1ccccc1

STK051918
Synonyms: 2- chloro- N- [2- (dimethylamino)ethyl]- 5- nitrobenzamide
Smiles: CN(CCNC(=O)c1cc(ccc1Cl)[N+](=O)[O-])C

STK051947
Synonyms: N- [(2R,4S)- 6,8- dichloro- 2- methyl- 1,2,3,4- tetrahydroquinolin- 4- yl]- N- phenylacetamide
Smiles: C[C@@H]1C[C@H](N(c2ccccc2)C(=O)C)c2c(N1)c(Cl)cc(c2)Cl

STK051973
Synonyms: (3Z)- 5- bromo- 3- [(3- chlorophenyl)imino]- 1- (morpholin- 4- ylmethyl)- 1,3- dihydro- 2H- inden- 2- one
Smiles: Brc1ccc2c(c1)/C(=N/c1cccc(c1)Cl)/C(=O)C2CN1CCOCC1

STK051976
Synonyms: 6- amino- 4- (3- chlorophenyl)- 3- propyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: CCCc1n[nH]c2c1C(c1cccc(c1)Cl)C(=C(O2)N)C#N

STK051978
Synonyms: 1- [5- (3- ethoxyphenyl)- 1,3,4- thiadiazol- 2- yl]- 3- (3- methoxyphenyl)urea
Smiles: CCOc1cccc(c1)c1nnc(s1)NC(=O)Nc1cccc(c1)OC

STK051990
Synonyms: 1- (3,5- diamino- 2,6- dimethylphenyl)pyrrolidin- 2- one
Smiles: O=C1CCCN1c1c(C)c(N)cc(c1C)N

STK051992
Synonyms: 4- ({[(2Z)- 3- (1,3- benzodioxol- 5- ylmethyl)- 4- oxo- 2- (phenylimino)- 1,3- thiazinan- 6- yl]carbonyl}amino)benzoicacid
Smiles: O=C(C1CC(=O)N(/C(=N/c2ccccc2)/S1)Cc1ccc2c(c1)OCO2)Nc1ccc(cc1)C(=O)O

STK051993
Synonyms: 1,3- diphenyl- N- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)- 1H- pyrazole- 4- carboxamide
Smiles: O=C(c1cn(nc1c1ccccc1)c1ccccc1)NC12CC3CC(C2)CC(C1)C3

STK051996
Synonyms: 5- (4- nitrophenyl)- 3- [4'- pentyl- 1,1'- bi(cyclohexyl)- 4- yl]- 1,2,4- oxadiazole
Smiles: CCCCCC1CCC(CC1)C1CCC(CC1)c1noc(n1)c1ccc(cc1)[N+](=O)[O-]

STK052010
Synonyms: 1- [(2,5- dimethoxyphenyl)sulfonyl]piperidine
Smiles: COc1ccc(cc1S(=O)(=O)N1CCCCC1)OC

STK052011
Synonyms: 2,4- dichloro- 6- [(Z)- 2- cyano- 2- (4- nitrophenyl)ethenyl]phenyl4- methylbenzenesulfonate
Smiles: N#C/C(=C\c1cc(Cl)cc(c1OS(=O)(=O)c1ccc(cc1)C)Cl)/c1ccc(cc1)[N+](=O)[O-]

STK052060
Synonyms: (1- methyl- 1H- pyrazol- 5- yl)(1H- pyrazol- 1- yl)methanone
Smiles: Cn1nccc1C(=O)n1cccn1

STK052061
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 4- methyl- 6- (4- methylpiperazin- 1- yl)pyrimidine
Smiles: CN1CCN(CC1)c1cc(C)nc(n1)n1nc(cc1C)C

STK052081
Synonyms: ethyl6- methyl- 2- oxo- 4- [(E)- 2- phenylethenyl]- 1,2- dihydropyrimidine- 5- carboxylate
Smiles: CCOC(=O)c1c(/C=C/c2ccccc2)nc(=O)[nH]c1C

STK052083
Synonyms: methyl6- methyl- 2- [(pyrazin- 2- ylcarbonyl)amino]- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCC(C2)C

STK052086
Synonyms: (2Z)- 6,8- dibromo- 2- [2- (4- bromophenyl)hydrazinylidene]- N- (3- hydroxy- 4- methylphenyl)- 2H- chromene- 3- carboxamide
Smiles: Brc1ccc(cc1)N/N=c/1\oc2c(Br)cc(cc2cc1C(=O)Nc1ccc(c(c1)O)C)Br

STK052091
Synonyms: N- (2- phenoxyphenyl)naphthalene- 2- carboxamide
Smiles: O=C(c1ccc2c(c1)cccc2)Nc1ccccc1Oc1ccccc1

STK052103
Synonyms: N- (2,4- dioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl)- 2- (3- methoxyphenoxy)acetamide
Smiles: COc1cccc(c1)OCC(=O)Nc1c[nH]c(=O)[nH]c1=O

STK052105
Synonyms: 8- (decylsulfanyl)- 7- (2- hydroxy- 3- phenoxypropyl)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCCCCSc1nc2c(n1CC(COc1ccccc1)O)c(=O)[nH]c(=O)n2C

STK052138
Synonyms: N- (4- methoxy- 2- nitrophenyl)ethane- 1,2- diamine
Smiles: NCCNc1ccc(cc1[N+](=O)[O-])OC

STK052148
Synonyms: (2Z)- 8- methoxy- 2- [(4- methoxyphenyl)imino]- N- (pyridin- 3- yl)- 2H- chromene- 3- carboxamide
Smiles: COc1cccc2c1o/c(=N\c1ccc(cc1)OC)/c(c2)C(=O)Nc1cccnc1

STK052151
Synonyms: N~2~- (4- methoxy- 6- methylpyrimidin- 2- yl)- N- methyl- N~2~- [(4- methylphenyl)sulfonyl]glycinamide
Smiles: CNC(=O)CN(S(=O)(=O)c1ccc(cc1)C)c1nc(C)cc(n1)OC

STK052162
Synonyms: (3E)- 2- (3,4- dimethoxyphenyl)- 3- [(4- methylphenyl)imino]- 2,3- dihydro- 1H- inden- 1- one
Smiles: COc1cc(ccc1OC)C1/C(=N\c2ccc(cc2)C)/c2c(C1=O)cccc2

STK052186
Synonyms: 4- benzyl- N- [(1Z)- 1- (3,4- dichlorophenyl)ethylidene]piperazin- 1- amine
Smiles: C/C(=N/N1CCN(CC1)Cc1ccccc1)/c1ccc(c(c1)Cl)Cl

STK052196
Synonyms: 3,4- dimethyl- N- (5- {[2- (prop- 2- en- 1- yl)phenoxy]methyl}- 1,3,4- thiadiazol- 2- yl)benzamide
Smiles: C=CCc1ccccc1OCc1nnc(s1)NC(=O)c1ccc(c(c1)C)C

STK052234
Synonyms: (2E)- 3- (6- bromo- 1,3- benzodioxol- 5- yl)- N- (4- chloro- 3- nitrophenyl)- 2- cyanoprop- 2- enamide
Smiles: N#C/C(=C\c1cc2OCOc2cc1Br)/C(=O)Nc1ccc(c(c1)[N+](=O)[O-])Cl

STK052242
Synonyms: 4- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- (2- methylquinolin- 4- yl)butanamide
Smiles: O=C(Nc1cc(C)nc2c1cccc2)CCCN1C(=O)c2c(C1=O)cccc2

STK052244
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- 8- (piperidin- 1- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d][1,2,3]triazine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1nnnc2N1CCCCC1

STK052250
Synonyms: 1- (1,3- benzothiazol- 2- yl)- 5- (4- methylphenyl)- 1H- pyrazole- 3- carboxylicacid
Smiles: Cc1ccc(cc1)c1cc(nn1c1nc2c(s1)cccc2)C(=O)O

STK052254
Synonyms: N- [3- (4- fluorophenyl)- 3- oxopropyl]methionine
Smiles: CSCCC(C(=O)O)NCCC(=O)c1ccc(cc1)F

STK052265
Synonyms: 1- {4- amino- 6- [(5- chloro- 2- methoxyphenyl)amino]- 1,3,5- triazin- 2- yl}- 3- [(4- methylphenyl)sulfanyl]propan- 2- one
Smiles: COc1ccc(cc1Nc1nc(CC(=O)CSc2ccc(cc2)C)nc(n1)N)Cl

STK052299
Synonyms: N- [2- (dimethylamino)ethyl]- 1- (3- phenylpropyl)piperidine- 4- carboxamide
Smiles: CN(CCNC(=O)C1CCN(CC1)CCCc1ccccc1)C

STK052316
Synonyms: 3- (dimethylamino)- 1- (4'- octylbiphenyl- 4- yl)propan- 1- one
Smiles: CCCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)CCN(C)C

STK052317
Synonyms: N- {(Z)- [(6- methoxy- 4- methylquinazolin- 2- yl)amino][(phenylacetyl)amino]methylidene}- 2- phenylacetamide
Smiles: COc1ccc2c(c1)c(C)nc(n2)N/C(=N/C(=O)Cc1ccccc1)/NC(=O)Cc1ccccc1

STK052329
Synonyms: (6Z)- 6- {3- chloro- 5- methoxy- 4- [2- (2- methylphenoxy)ethoxy]benzylidene}- 5- imino- 2- propyl- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCCc1sc2=NC(=O)/C(=C\c3cc(Cl)c(c(c3)OC)OCCOc3ccccc3C)/C(=N)n2n1

STK052330
Synonyms: N- [3- (propan- 2- yloxy)propyl]- N'- (prop- 2- en- 1- yl)butanediamide
Smiles: C=CCNC(=O)CCC(=O)NCCCOC(C)C

STK052336
Synonyms: 2,2,4- trimethyl- 1,2- dihydroquinolin- 6- ylthiophen- 2- ylacetate
Smiles: O=C(Cc1cccs1)Oc1ccc2c(c1)C(=CC(N2)(C)C)C

STK052378
Synonyms: 1- [2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 3- oxo- 3- phenylpropanoyl]- N- (3- methoxypropyl)piperidine- 4- carboxamide
Smiles: COCCCNC(=O)C1CCN(CC1)C(=O)C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1

STK052388
Synonyms: N- (4- sulfamoylbenzyl)morpholine- 4- carboxamide
Smiles: O=C(N1CCOCC1)NCc1ccc(cc1)S(=O)(=O)N

STK052423
Synonyms: 4- benzyl- N- [(E)- (3- methylphenyl)methylidene]piperazin- 1- amine
Smiles: Cc1cccc(c1)/C=N/N1CCN(CC1)Cc1ccccc1

STK052431
Synonyms: (1- amino- 5- ethyl- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinolin- 2- yl)(4- bromophenyl)methanone
Smiles: CCc1nc2sc(c(c2c2c1CCCC2)N)C(=O)c1ccc(cc1)Br

STK052434
Synonyms: 2- (4- bromophenoxy)- N- [(5- chloropyridin- 2- yl)carbamothioyl]acetamide
Smiles: O=C(NC(=S)Nc1ccc(cn1)Cl)COc1ccc(cc1)Br

STK052435
Synonyms: (2E)- 1- (3,4- dimethoxyphenyl)- 3- [(6- methylpyridin- 2- yl)amino]prop- 2- en- 1- one
Smiles: COc1cc(ccc1OC)C(=O)/C=C/Nc1cccc(n1)C

STK052440
Synonyms: N- (2- cyanophenyl)- 4- hydroxy- 1- methyl- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: N#Cc1ccccc1NC(=O)c1c(O)c2ccccc2n(c1=O)C

STK052441
Synonyms: N- [2- methoxy- 4- ({[(4- methylphenoxy)acetyl]carbamothioyl}amino)phenyl]furan- 2- carboxamide
Smiles: COc1cc(ccc1NC(=O)c1ccco1)NC(=S)NC(=O)COc1ccc(cc1)C

STK052443
Synonyms: 2- methyl- 5- (3- nitrophenoxy)- 1H- isoindole- 1,3(2H)- dione
Smiles: CN1C(=O)c2c(C1=O)cc(cc2)Oc1cccc(c1)[N+](=O)[O-]

STK052464
Synonyms: [3- (4- tert- butyl- 2- nitrophenyl)- 3- (formyloxy)propyl](chloro)mercury
Smiles: Cl[Hg]CCC(c1ccc(cc1[N+](=O)[O-])C(C)(C)C)OC=O

STK052470
Synonyms: 3- (3- chlorobenzyl)- 5- fluoro- 1- (tetrahydrofuran- 2- yl)pyrimidine- 2,4(1H,3H)- dione
Smiles: Clc1cccc(c1)Cn1c(=O)c(F)cn(c1=O)C1CCCO1

STK052486
Synonyms: 2- (1,3- benzoxazol- 2- ylamino)- 6- nitroquinazolin- 4(1H)- one
Smiles: [O-][N+](=O)c1ccc2c(c1)c(=O)nc([nH]2)Nc1nc2c(o1)cccc2

STK052514
Synonyms: 5- bromo- 2- chloro- N- [(5- ethyl- 1,3,4- thiadiazol- 2- yl)carbamothioyl]benzamide
Smiles: CCc1nnc(s1)NC(=S)NC(=O)c1cc(Br)ccc1Cl

STK052520
Synonyms: 4- (diethylamino)- 4- oxobutanoicacid
Smiles: CCN(C(=O)CCC(=O)O)CC

STK052526
Synonyms: (2Z)- 2- [(4- methylphenyl)imino]- N- [4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]- 2H- chromene- 3- carboxamide
Smiles: Cc1ccc(cc1)/N=c/1\oc2ccccc2cc1C(=O)Nc1scc(n1)c1ccc2c(c1)cccc2

STK052545
Synonyms: 2- {[2- (propan- 2- yl)- 1H- imidazol- 1- yl]carbonyl}benzoicacid
Smiles: CC(c1nccn1C(=O)c1ccccc1C(=O)O)C

STK052551
Synonyms: 2- (4- bromophenyl)- 1- (pyrrolidin- 1- yl)ethanethione
Smiles: S=C(N1CCCC1)Cc1ccc(cc1)Br

STK052557
Synonyms: 6- (cyclopropylmethyl)- 2,3- dihydro- 1,4- benzodioxine
Smiles: C1COc2c(O1)cc(cc2)CC1CC1

STK052586
Synonyms: ethyl4- ({[5- (benzyloxy)- 2- methyl- 1H- indol- 3- yl]acetyl}amino)piperidine- 1- carboxylate
Smiles: CCOC(=O)N1CCC(CC1)NC(=O)Cc1c(C)[nH]c2c1cc(OCc1ccccc1)cc2

STK052594
Synonyms: N- {[2- chloro- 5- (trifluoromethyl)phenyl]carbamothioyl}- 3,4,5- triethoxybenzamide
Smiles: CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1cc(ccc1Cl)C(F)(F)F

STK052674
Synonyms: diethyl5- oxo- 3- phenylpyrrolidine- 2,2- dicarboxylate
Smiles: CCOC(=O)C1(NC(=O)CC1c1ccccc1)C(=O)OCC

STK052676
Synonyms: N- cyclohexyl- 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 6- methylpyrimidin- 4- amine
Smiles: Cc1cc(NC2CCCCC2)nc(n1)n1nc(cc1C)C

STK052683
Synonyms: N- (2- amino- 2- oxoethyl)- N'- (octan- 2- yl)butanediamide
Smiles: CCCCCCC(NC(=O)CCC(=O)NCC(=O)N)C

STK052693
Synonyms: 4- [3- (3,4- dimethoxybenzyl)- 1,2,4- oxadiazol- 5- yl]pyridine
Smiles: COc1cc(ccc1OC)Cc1noc(n1)c1ccncc1

STK052708
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 5,6,7,8- tetrahydroquinoline- 3- carbonitrile
Smiles: N#Cc1cc2CCCCc2nc1SCc1ccccc1Cl

STK052723
Synonyms: 3,5- dibromo- 1- {2- [4- (3- methylbutyl)- 5- oxotetrahydrofuran- 2- yl]- 2- oxoethyl}pyridinium(non- preferredname)
Smiles: CC(CCC1CC(OC1=O)C(=O)C[n+]1cc(Br)cc(c1)Br)C

STK052762
Synonyms: 2- [(2E)- 2- (2,3- dichlorobenzylidene)hydrazinyl]pyridine- 3- carboxylicacid
Smiles: OC(=O)c1cccnc1N/N=C/c1cccc(c1Cl)Cl

STK052776
Synonyms: N- {2- [(2- bromophenyl)carbamoyl]phenyl}- 2- chlorobenzamide
Smiles: O=C(c1ccccc1NC(=O)c1ccccc1Cl)Nc1ccccc1Br

STK052798
Synonyms: 2- (4- methoxyphenoxy)- N- (1,3- thiazol- 2- ylcarbamothioyl)acetamide
Smiles: COc1ccc(cc1)OCC(=O)NC(=S)Nc1nccs1

STK052809
Synonyms: 6- bromo- 8- ethoxy- 2- imino- 2H- chromene- 3- carboxamide
Smiles: CCOc1cc(Br)cc2c1oc(=N)c(c2)C(=O)N

STK052829
Synonyms: N- [4- (1,3- benzothiazol- 2- yl)phenyl]- 1,2- dihydroacenaphthylene- 5- carboxamide
Smiles: O=C(c1ccc2c3c1cccc3CC2)Nc1ccc(cc1)c1nc2c(s1)cccc2

STK052830
Synonyms: (2E)- N'- (3- cyclohexyl- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)- 3- phenylprop- 2- enehydrazide
Smiles: O=C(NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3)/C=C/c1ccccc1

STK052867
Synonyms: 1- butyl- 3,4- dimethyl- 5- [(2- nitrophenyl)amino]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CCCCN1C(Nc2ccccc2[N+](=O)[O-])C(=C(C1=O)C)C

STK052888
Synonyms: N- {4- [(2,6- dimethoxypyrimidin- 4- yl)sulfamoyl]phenyl}- 2- fluorobenzamide
Smiles: COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1F

STK052896
Synonyms: N- (3- chloro- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl)asparticacid
Smiles: OC(=O)CC(C(=O)O)NC1=C(Cl)C(=O)c2c(C1=O)cccc2

STK052897
Synonyms: 1- (2- chloro- 7- methoxyquinolin- 3- yl)methanimine- 1- methoxy- 3- methylbenzene(1:1)
Smiles: COc1cccc(c1)C.COc1ccc2c(c1)nc(c(c2)C=N)Cl

STK052911
Synonyms: 3,4- dimethyl- 1- (3- methylbutyl)- 5- (propan- 2- yloxy)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CC(CCN1C(=O)C(=C(C1OC(C)C)C)C)C

STK052913
Synonyms: (4E)- 4- [2- (2- ethoxyphenyl)hydrazinylidene]- 2- (4- nitrophenyl)- 5- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CCOc1ccccc1N/N=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK052929
Synonyms: (1Z)- 1- [(2E)- 3- (4- methoxyphenyl)- 1- phenylprop- 2- en- 1- ylidene]- 2- phenylhydrazine
Smiles: COc1ccc(cc1)/C=C/C(=N/Nc1ccccc1)/c1ccccc1

STK052943
Synonyms: 6,8- dimethyl- 3- phenyl- 4,8- dihydropyrimido[4,5- c]pyridazine- 5,7(1H,6H)- dione
Smiles: O=c1c2CC(=NNc2n(c(=O)n1C)C)c1ccccc1

STK052952
Synonyms: 2- amino- 4- {2- [(2- chlorobenzyl)oxy]- 3- ethoxyphenyl}- 7- methyl- 5- oxo- 4H,5H- pyrano[4,3- b]pyran- 3- carbonitrile
Smiles: CCOc1cccc(c1OCc1ccccc1Cl)C1C(=C(N)Oc2c1c(=O)oc(c2)C)C#N

STK052979
Synonyms: 2- (2- bromophenyl)- 3a,3b,4,5,6,7,8,9,9a,9b- decahydro- 1H- dicyclopenta[e,g]isoindole- 1,3(2H)- dione
Smiles: O=C1C2C(C(=O)N1c1ccccc1Br)C1CCCC1=C1C2CCC1

STK053037
Synonyms: N- {3- [(4- chloro- 2- nitrophenyl)amino]propyl}methanesulfonamide
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])NCCCNS(=O)(=O)C

STK053043
Synonyms: 4- amino- 6- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine- 2- thiol
Smiles: CC1CCc2c(C1)c1c(N)nc(nc1s2)S

STK053052
Synonyms: 2- chloro- 4- ({[(2- methoxyphenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: COc1ccccc1C(=O)NC(=S)Nc1ccc(c(c1)Cl)C(=O)O

STK053054
Synonyms: 2- [(E)- {2- [2,6- bis(dimethylamino)pyrimidin- 4- yl]hydrazinylidene}methyl]phenol
Smiles: Oc1ccccc1/C=N/Nc1cc(nc(n1)N(C)C)N(C)C

STK053058
Synonyms: (6Z)- 6- {3- chloro- 5- methoxy- 4- [2- (2- methylphenoxy)ethoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCCOc1ccccc1C)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK053101
Synonyms: ethyl1- [(2E)- 3- (3,4- dimethoxyphenyl)- 2- (2- oxopyridin- 1(2H)- yl)prop- 2- enoyl]piperidine- 3- carboxylate
Smiles: CCOC(=O)C1CCCN(C1)C(=O)/C(=C\c1ccc(c(c1)OC)OC)/n1ccccc1=O

STK053102
Synonyms: N- (prop- 2- en- 1- yl)- N- (pyridin- 2- ylmethyl)prop- 2- en- 1- amine
Smiles: C=CCN(Cc1ccccn1)CC=C

STK053128
Synonyms: 2- (2- oxopyridin- 1(2H)- yl)- 1- phenyl- 3- [4- (piperidin- 1- ylcarbonyl)piperidin- 1- yl]propane- 1,3- dione
Smiles: O=C(N1CCCCC1)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1

STK053130
Synonyms: (2Z)- 2- (methylimino)- 2H- chromene- 3- carboxamide
Smiles: C/N=c/1\oc2ccccc2cc1C(=O)N

STK053136
Synonyms: 7H- benzimidazo[2,1- a]benzo[de]isoquinoline- 7- thione
Smiles: S=c1c2cccc3c2c(c2n1c1ccccc1n2)ccc3

STK053140
Synonyms: 2- {(2E)- 2- [4- (benzyloxy)- 3- methoxybenzylidene]hydrazinyl}pyridine- 3- carboxylicacid
Smiles: COc1cc(/C=N/Nc2ncccc2C(=O)O)ccc1OCc1ccccc1

STK053141
Synonyms: N- (2- ethylhexyl)pyridine- 4- carboxamide
Smiles: CCCCC(CNC(=O)c1ccncc1)CC

STK053181
Synonyms: ethyl2- [(benzylcarbamothioyl)amino]- 6- methyl- 4,5,6,7- tetrahydrothieno[2,3- c]pyridine- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCN(C2)C

STK053185
Synonyms: 2- ethylhexylprop- 2- en- 1- ylether
Smiles: CCCCC(COCC=C)CC

STK053214
Synonyms: 4- {[(3,4- dimethylphenyl)(methylsulfonyl)amino]methyl}- N- [4- (morpholin- 4- ylsulfonyl)phenyl]benzamide
Smiles: O=C(c1ccc(cc1)CN(S(=O)(=O)C)c1ccc(c(c1)C)C)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1

STK053231
Synonyms: ethyl5- hydroxy- 1- (4- phenyl- 1,3- thiazol- 2- yl)- 1H- pyrazole- 4- carboxylate
Smiles: CCOC(=O)c1cnn(c1O)c1scc(n1)c1ccccc1

STK053241
Synonyms: N- (2- fluorobenzyl)- 1- phenylmethanesulfonamide
Smiles: Fc1ccccc1CNS(=O)(=O)Cc1ccccc1

STK053250
Synonyms: {2- [(6- methoxy- 4- methylquinazolin- 2- yl)amino]- 5- oxo- 4,5- dihydro- 1H- imidazol- 4- yl}aceticacid
Smiles: COc1ccc2c(c1)c(C)nc(n2)NC1=NC(C(=O)N1)CC(=O)O

STK053251
Synonyms: 4,6- bis[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]- N,N- diphenyl- 1,3,5- triazin- 2- amine
Smiles: Cc1nc(Sc2nc(Sc3nc(C)cc(n3)C)nc(n2)N(c2ccccc2)c2ccccc2)nc(c1)C

STK053253
Synonyms: N- benzyl- 2- [2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]hydrazinecarbothioamide
Smiles: CSc1nc(NNC(=S)NCc2ccccc2)c2c(n1)sc1c2CCCC1

STK053257
Synonyms: 4- [5- (naphthalen- 1- yl)- 1,3,4- oxadiazol- 2- yl]pyridine
Smiles: n1ccc(cc1)c1nnc(o1)c1cccc2c1cccc2

STK053276
Synonyms: N- (5- bromopyrimidin- 2- yl)- 4- hydroxy- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: Brc1cnc(nc1)NC(=O)c1c(=O)[nH]c2c(c1O)cccc2

STK053290
Synonyms: 1- [4- (benzyloxy)benzyl]- N- (1- hydroxy- 2- methylpropan- 2- yl)piperidine- 4- carboxamide
Smiles: OCC(NC(=O)C1CCN(CC1)Cc1ccc(cc1)OCc1ccccc1)(C)C

STK053292
Synonyms: N'- [(4- chloro- 1- methyl- 1H- pyrazol- 5- yl)carbonyl]- 5- methyl- 3- nitro- 1H- pyrazole- 1- carbohydrazide
Smiles: O=C(c1c(Cl)cnn1C)NNC(=O)n1nc(cc1C)[N+](=O)[O-]

STK053305
Synonyms: 3- methylphenyl(4- chlorophenyl)carbamate
Smiles: O=C(Oc1cccc(c1)C)Nc1ccc(cc1)Cl

STK053319
Synonyms: 3,4,5- triethoxy- N,N- dimethylbenzamide
Smiles: CCOc1cc(cc(c1OCC)OCC)C(=O)N(C)C

STK053320
Synonyms: 2- bromo- N- (4- fluorophenyl)- 5- nitrobenzamide
Smiles: Fc1ccc(cc1)NC(=O)c1cc(ccc1Br)[N+](=O)[O-]

STK053322
Synonyms: 5- methyl- 2- (quinolin- 2- yl)- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: Cc1[nH]n(c(=O)c1)c1ccc2c(n1)cccc2

STK053344
Synonyms: methyl(2Z)- (2- {(2E)- 2- [4- (dimethylamino)benzylidene]hydrazinyl}- 4- oxo- 1,3- thiazolidin- 5- ylidene)ethanoate
Smiles: COC(=O)/C=C/1\SC(NC1=O)N/N=C/c1ccc(cc1)N(C)C

STK053348
Synonyms: 2- amino- 1- methyl- 8- (pyridin- 3- yl)- 7,9- dioxa- 1,3- diazaspiro[4.5]dec- 2- en- 4- one
Smiles: NC1=NC(=O)C2(N1C)COC(OC2)c1cccnc1

STK053371
Synonyms: 5- [(1- benzylpiperidin- 4- yl)oxy]- 1- (4- fluorobenzyl)- 3,4- dimethyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Fc1ccc(cc1)CN1C(OC2CCN(CC2)Cc2ccccc2)C(=C(C1=O)C)C

STK053401
Synonyms: 2- {[3- cyano- 6- (thiophen- 2- yl)pyridin- 2- yl]sulfanyl}- N- (2,6- dimethylphenyl)acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)Nc1c(C)cccc1C)c1cccs1

STK053410
Synonyms: 3- ethyl- 4- hydroxy- 2- methylquinoline- 6- carboxylicacid
Smiles: CCc1c(C)nc2c(c1O)cc(cc2)C(=O)O

STK053418
Synonyms: 3- methoxy- N- {(E)- [4- (methylsulfanyl)phenyl]methylidene}aniline
Smiles: COc1cccc(c1)/N=C/c1ccc(cc1)SC

STK053438
Synonyms: 8- (benzylsulfanyl)- 9- pentofuranosyl- 1,9- dihydro- 6H- purin- 6- one
Smiles: OCC1OC(C(C1O)O)n1c(SCc2ccccc2)nc2c1nc[nH]c2=O

STK053446
Synonyms: 2- [(7- methyl- 2- phenylimidazo[1,2- a]pyridin- 3- yl)carbamoyl]benzoicacid
Smiles: Cc1ccn2c(c1)nc(c2NC(=O)c1ccccc1C(=O)O)c1ccccc1

STK053449
Synonyms: 5- imino- 7- oxo- N- phenyl- 6,7- dihydro- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidine- 6- carbothioamide
Smiles: S=C(C1C(=O)N=c2n(C1=N)ncs2)Nc1ccccc1

STK053450
Synonyms: ethyl6- benzyl- 2- [(phenylcarbonyl)amino]- 4,5,6,7- tetrahydrothieno[2,3- c]pyridine- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCN(C2)Cc1ccccc1

STK053464
Synonyms: (6Z)- 6- (3- ethoxy- 4- hydroxybenzylidene)- 5- imino- 2- (trifluoromethyl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1O)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F

STK053471
Synonyms: N'- [(3E)- 2- hydroxy- 3H- indol- 3- ylidene]- 4- methylbenzohydrazide
Smiles: Cc1ccc(cc1)C(=O)N/N=C\1/C(=Nc2c1cccc2)O

STK053485
Synonyms: 1,3- di- tert- butyl- 5- methyl- 5- phenyl- 1,3,5- diazaphosphinan- 5- ium
Smiles: CC(N1CN(C[P+](C1)(C)c1ccccc1)C(C)(C)C)(C)C

STK053492
Synonyms: 2- [(quinolin- 8- ylsulfanyl)methyl]benzonitrile
Smiles: N#Cc1ccccc1CSc1cccc2c1nccc2

STK053508
Synonyms: 2,4- dichloro- 5- {[2- (cyclohex- 1- en- 1- yl)ethyl]sulfamoyl}benzoicacid
Smiles: Clc1cc(Cl)c(cc1S(=O)(=O)NCCC1=CCCCC1)C(=O)O

STK053531
Synonyms: 2- {[3- cyano- 6- (thiophen- 2- yl)- 4- (trifluoromethyl)pyridin- 2- yl]sulfanyl}- N- (5- ethyl- 1,3,4- thiadiazol- 2- yl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2nnc(s2)CC)nc(cc1C(F)(F)F)c1cccs1

STK053543
Synonyms: N- (1,3- benzodioxol- 5- yl)- 4- phenylphthalazin- 1- amine
Smiles: c1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc2c(c1)OCO2

STK053548
Synonyms: N- methylmethanaminium(2E)- 1,1,5,5- tetracyano- 3- methylpenta- 2,4- dien- 1- ide
Smiles: N#C[C-](/C=C(/C=C(C#N)C#N)\C)C#N.C[NH2+]C

STK053570
Synonyms: 2- (3,4- dimethoxyphenyl)butane- 1,2,4- tricarbonitrile
Smiles: N#CCC(c1ccc(c(c1)OC)OC)(CCC#N)C#N

STK053600
Synonyms: disodium2- [(piperidin- 1- ylmethyl)phosphinato]ethanesulfonate
Smiles: [Na]OP(=O)(CN1CCCCC1)CCS(=O)(=O)O[Na]

STK053614
Synonyms: (5Z)- 1- (4- bromophenyl)- 5- (4- {2- [(4- chlorophenyl)sulfanyl]ethoxy}benzylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Clc1ccc(cc1)SCCOc1ccc(cc1)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br

STK053622
Synonyms: (4Z)- 4- [2- (4- bromophenyl)hydrazinylidene]- 5- oxo- 3- phenyl- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: Brc1ccc(cc1)N/N=C\1/C(=NN(C1=O)C(=S)N)c1ccccc1

STK053623
Synonyms: (4E)- 4- {4- [2- (3- methoxyphenoxy)ethoxy]benzylidene}- 2- phenyl- 1,3- oxazol- 5(4H)- one
Smiles: COc1cccc(c1)OCCOc1ccc(cc1)/C=C\1/N=C(OC1=O)c1ccccc1

STK053630
Synonyms: (2- {[(E)- (2- hydroxyphenyl)methylidene]amino}phenyl)arsonicacid
Smiles: Oc1ccccc1/C=N/c1ccccc1[As](=O)(O)O

STK053633
Synonyms: (3E)- 3- {2- [(2- chlorophenyl)carbonyl]hydrazinylidene}- N- (pyridin- 2- yl)butanamide
Smiles: C/C(=N\NC(=O)c1ccccc1Cl)/CC(=O)Nc1ccccn1

STK053634
Synonyms: N'- (2- bromophenyl)- 2- phenylacetohydrazide
Smiles: O=C(Cc1ccccc1)NNc1ccccc1Br

STK053636
Synonyms: N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- N'- (3- nitrophenyl)butanediamide
Smiles: O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)CCC(=O)Nc1cccc(c1)[N+](=O)[O-]

STK053678
Synonyms: 2- (1H- indol- 3- yl)- 1H- benzimidazole
Smiles: c1ccc2c(c1)c(c[nH]2)c1nc2c([nH]1)cccc2

STK053687
Synonyms: N'- [(E)- (4- bromophenyl)methylidene]- 3- (2,4- dichlorophenyl)- 1H- pyrazole- 5- carbohydrazide
Smiles: Brc1ccc(cc1)/C=N/NC(=O)c1[nH]nc(c1)c1ccc(cc1Cl)Cl

STK053695
Synonyms: N- [4- (4- chlorophenyl)- 3- cyano- 4H- benzo[h]chromen- 2- yl]- 2- phenylacetamide
Smiles: N#CC1=C(NC(=O)Cc2ccccc2)Oc2c(C1c1ccc(cc1)Cl)ccc1c2cccc1

STK053703
Synonyms: pyridin- 3- yl2- fluorobenzoate
Smiles: O=C(c1ccccc1F)Oc1cccnc1

STK053709
Synonyms: N- (2- hydroxy- 4,5- dimethylphenyl)- 2- (2,4,5- trichlorophenoxy)acetamide
Smiles: O=C(Nc1cc(C)c(cc1O)C)COc1cc(Cl)c(cc1Cl)Cl

STK053711
Synonyms: 4- ({[2- amino- 5- cyano- 6- (methylsulfanyl)pyrimidin- 4- yl]sulfanyl}methyl)benzoicacid
Smiles: N#Cc1c(SCc2ccc(cc2)C(=O)O)nc(nc1SC)N

STK053715
Synonyms: methyl5- acetyl- 2,2- dimethyl- 4,6- dioxocyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)C(C(=O)C)C(=O)CC1(C)C

STK053765
Synonyms: 2,6- dibutyl- 1,5- dihydroxy- 4,8- dinitroanthracene- 9,10- dione
Smiles: CCCCc1cc([N+](=O)[O-])c2c(c1O)C(=O)c1c(C2=O)c(O)c(cc1[N+](=O)[O-])CCCC

STK053770
Synonyms: 2- deoxy- 2- {[(E)- (4- methoxyphenyl)methylidene]amino}hexopyranose
Smiles: OCC1OC(O)C(C(C1O)O)/N=C/c1ccc(cc1)OC

STK053773
Synonyms: N~2~- butyl- N~4~,N~6~- di- tert- butyl- 1,3,5- triazine- 2,4,6- triamine
Smiles: CCCCNc1nc(nc(n1)NC(C)(C)C)NC(C)(C)C

STK053779
Synonyms: (4E)- 5- methyl- 4- (5- methyl- 2- {2- [5- methyl- 2- (propan- 2- yl)phenoxy]ethoxy}benzylidene)- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Cc1ccc(c(c1)/C=C/1\C(=NN(C1=O)c1ccccc1)C)OCCOc1cc(C)ccc1C(C)C

STK053792
Synonyms: 4- butoxy- N- (4- hydroxyphenyl)benzamide
Smiles: CCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1)O

STK053797
Synonyms: (6Z)- 6- [3- chloro- 5- ethoxy- 4- (naphthalen- 1- ylmethoxy)benzylidene]- 2- ethyl- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCc1cccc2c1cccc2)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC

STK053815
Synonyms: 2- {[6- (4- chlorophenyl)- 3- cyanopyridin- 2- yl]sulfanyl}- N- (4- fluorophenyl)acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)Nc1ccc(cc1)F)c1ccc(cc1)Cl

STK053826
Synonyms: 3- (morpholin- 4- yl)- N- [3- (morpholin- 4- yl)propyl]- 4- nitroaniline
Smiles: [O-][N+](=O)c1ccc(cc1N1CCOCC1)NCCCN1CCOCC1

STK053828
Synonyms: 3- {[(6- chloro- 1,3- benzodioxol- 5- yl)methyl]sulfanyl}- 1- (3,4,5- trimethoxyphenyl)- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: N#Cc1c(SCc2cc3OCOc3cc2Cl)nc(c2c1CCCC2)c1cc(OC)c(c(c1)OC)OC

STK053831
Synonyms: N- [1- (1- cyclohexyl- 1H- tetrazol- 5- yl)cyclopentyl]- 3- methylaniline
Smiles: Cc1cccc(c1)NC1(CCCC1)c1nnnn1C1CCCCC1

STK053859
Synonyms: 1- benzothiophene
Smiles: c1ccc2c(c1)scc2

STK053865
Synonyms: 1- [(2,5- dichlorophenyl)sulfonyl]- 4- methylpiperazine
Smiles: CN1CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1Cl

STK053879
Synonyms: N'- [(E)- {2- [3- (3,4- dimethylphenoxy)propoxy]- 3- methoxyphenyl}methylidene]acetohydrazide
Smiles: COc1cccc(c1OCCCOc1ccc(c(c1)C)C)/C=N/NC(=O)C

STK053891
Synonyms: sodium3- {(E)- [4- (phenylamino)phenyl]diazenyl}benzenesulfonate
Smiles: [Na]OS(=O)(=O)c1cccc(c1)/N=N/c1ccc(cc1)Nc1ccccc1

STK053898
Synonyms: N- [(E)- anthracen- 9- ylmethylidene]- 1H- tetrazol- 5- amine
Smiles: n1nnc([nH]1)/N=C/c1c2ccccc2cc2c1cccc2

STK053899
Synonyms: (19E)- 4- propyl- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: CCC[N+]12CCC34C2CC(/C(=C\C)/C1)C(=C3Nc1c4cccc1)C=O

STK053905
Synonyms: 1- (4- ethoxyphenyl)- 5- oxo- N- (4- phenoxyphenyl)pyrrolidine- 3- carboxamide
Smiles: CCOc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1ccc(cc1)Oc1ccccc1

STK053918
Synonyms: [1- (4- ethylbenzyl)piperidin- 4- yl](diphenyl)methanol
Smiles: CCc1ccc(cc1)CN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O

STK053932
Synonyms: propan- 2- yl4,5- dimethyl- 2- {[(4- propylphenoxy)acetyl]amino}thiophene- 3- carboxylate
Smiles: CCCc1ccc(cc1)OCC(=O)Nc1sc(c(c1C(=O)OC(C)C)C)C

STK053943
Synonyms: 3,5- dimethoxy- N- [3- (5- methyl- 1,3- benzoxazol- 2- yl)phenyl]benzamide
Smiles: COc1cc(OC)cc(c1)C(=O)Nc1cccc(c1)c1nc2c(o1)ccc(c2)C

STK053960
Synonyms: 3- {4- [(5- methylhexyl)oxy]phenyl}pyrrolidine- 2,5- dione
Smiles: CC(CCCCOc1ccc(cc1)C1CC(=O)NC1=O)C

STK054013
Synonyms: 1- (3,4- dihydro- 1H- isochromen- 1- yl)- N- methylmethanamine
Smiles: CNCC1OCCc2c1cccc2

STK054050
Synonyms: 4- (4- hydroxy- 1,2,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)- 2- methoxyphenylfuran- 2- carboxylate
Smiles: COc1cc(ccc1OC(=O)c1ccco1)C1N=C(O)c2c(N1)sc1c2CCCC1

STK054062
Synonyms: (3Z)- 5- methyl- 3- [(2E)- (5- phenyl- 4,5- dihydro- 3H- pyrazol- 3- ylidene)hydrazinylidene]- 1,3- dihydro- 2H- indol- 2- one
Smiles: Cc1ccc2c(c1)/C(=N/N=C\1/N=NC(C1)c1ccccc1)/C(=O)N2

STK054064
Synonyms: 3- (1,1- dioxido- 2H- 1,2,4- benzothiadiazin- 3- yl)- 4- hydroxy- 1- methylquinolin- 2(1H)- one
Smiles: Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(c2c1cccc2)C

STK054081
Synonyms: 3- hydroxy- 3- (1- oxo- 1- phenylpropan- 2- yl)- 1- (prop- 2- yn- 1- yl)- 1,3- dihydro- 2H- indol- 2- one
Smiles: C#CCN1c2ccccc2C(C1=O)(O)C(C(=O)c1ccccc1)C

STK054097
Synonyms: 2- (1H- benzotriazol- 1- yl)- N'- [(E)- (2- hydroxy- 3- methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)Cn1nnc2c1cccc2

STK054114
Synonyms: 4- (4- chlorophenyl)- 2- [(2Z)- 2- (5,6,6- trimethylbicyclo[2.2.1]hept- 2- ylidene)hydrazinyl]- 1,3- thiazole
Smiles: CC1C2CC(C1(C)C)/C(=N\Nc1scc(n1)c1ccc(cc1)Cl)/C2

STK054144
Synonyms: N- (2- {[1- (1- acetyl- 1H- indol- 3- yl)- 2- nitroethyl]sulfanyl}ethyl)furan- 2- carboxamide
Smiles: [O-][N+](=O)CC(c1cn(c2c1cccc2)C(=O)C)SCCNC(=O)c1ccco1

STK054175
Synonyms: 1- [(2- oxo- 2- phenylethyl)sulfanyl]- 4- phenyl- 5b,6,7,8,9,9a- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: O=C(c1ccccc1)CSc1nnc2n1c1SC3C(c1c(=O)n2c1ccccc1)CCCC3

STK054180
Synonyms: 2- (4- butylphenyl)- 5- (2- methylphenyl)- 1,3,4- thiadiazole
Smiles: CCCCc1ccc(cc1)c1nnc(s1)c1ccccc1C

STK054184
Synonyms: 4- [(7- methyl- 2- phenylimidazo[1,2- a]pyridin- 3- yl)amino]- 4- oxobutanoicacid
Smiles: O=C(Nc1c(nc2n1ccc(c2)C)c1ccccc1)CCC(=O)O

STK054190
Synonyms: 1- [3- (benzyloxy)benzyl]- N- [2- (dimethylamino)ethyl]piperidine- 4- carboxamide
Smiles: CN(CCNC(=O)C1CCN(CC1)Cc1cccc(c1)OCc1ccccc1)C

STK054204
Synonyms: butyl(4- hydroxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)acetate
Smiles: CCCCOC(=O)Cc1c(=O)[nH]c2c(c1O)cccc2

STK054219
Synonyms: 1- (2- chlorophenyl)- 1- [1- (2,6- dimethylphenyl)- 1H- tetrazol- 5- yl]- N,N- dimethylmethanamine
Smiles: CN(C(c1nnnn1c1c(C)cccc1C)c1ccccc1Cl)C

STK054229
Synonyms: N- cyclododecyl- N'- (4- nitrophenyl)butanediamide
Smiles: O=C(NC1CCCCCCCCCCC1)CCC(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK054269
Synonyms: 1- benzyl- 3,6,6- trimethyl- 1,5,6,8- tetrahydro- 2H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: Cn1c(=O)n(Cc2ccccc2)c2c(c1=O)c1CC(C)(C)OCc1s2

STK054300
Synonyms: {(2E)- 2- [(2E)- (3- iodo- 5- methoxy- 4- {[(4- nitrophenyl)sulfonyl]oxy}benzylidene)hydrazinylidene]- 4- oxo- 1,3- thiazolidin- 5- yl}aceticacid
Smiles: COc1cc(/C=N/N=C\2/SC(C(=O)N2)CC(=O)O)cc(c1OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])I

STK054317
Synonyms: (4E)- 4- ({5- [(4- chlorophenyl)sulfanyl]furan- 2- yl}methylidene)- 1- phenylpyrazolidine- 3,5- dione
Smiles: Clc1ccc(cc1)Sc1ccc(o1)/C=C/1\C(=O)NN(C1=O)c1ccccc1

STK054321
Synonyms: 2- bromo- N'- [(1E)- 1- (6- nitro- 2- oxo- 2H- chromen- 3- yl)ethylidene]benzohydrazide
Smiles: C/C(=N\NC(=O)c1ccccc1Br)/c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK054322
Synonyms: 4- (acetylamino)- N- (pentan- 3- yl)benzamide
Smiles: CCC(NC(=O)c1ccc(cc1)NC(=O)C)CC

STK054325
Synonyms: 2- (4- bromobenzylidene)propanediamide
Smiles: NC(=O)C(=Cc1ccc(cc1)Br)C(=O)N

STK054326
Synonyms: 2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 1- {4- [(3- methylpiperidin- 1- yl)carbonyl]piperidin- 1- yl}- 3- phenylpropane- 1,3- dione
Smiles: CC1CCCN(C1)C(=O)C1CCN(CC1)C(=O)C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1

STK054352
Synonyms: 5- cyclohexylidene- 3- (4- methoxyphenyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1ccc(cc1)N1C(=S)SC(=C2CCCCC2)C1=O

STK054360
Synonyms: 5- (3- hydroxyphenyl)- 1,4,6- trimethylhexahydropyrimido[4,5- d]pyrimidine- 2,7(1H,3H)- dione
Smiles: CC1NC(=O)N(C2C1C(c1cccc(c1)O)N(C)C(=O)N2)C

STK054362
Synonyms: (2E)- 4- (2- {[5- methyl- 2- (propan- 2- yl)phenoxy]acetyl}hydrazinyl)- 4- oxobut- 2- enoicacid
Smiles: O=C(COc1cc(C)ccc1C(C)C)NNC(=O)/C=C/C(=O)O

STK054373
Synonyms: 7- [2- (5,6- dimethyl- 1H- benzimidazol- 1- yl)- 2- oxoethyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1cc2ncn(c2cc1C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

STK054410
Synonyms: 2- [(2E)- 3- phenylprop- 2- enoyl]- 3H- benzo[f]chromen- 3- one
Smiles: O=C(c1cc2c(oc1=O)ccc1c2cccc1)/C=C/c1ccccc1

STK054412
Synonyms: 1,3- dimethyl- 5- (3- nitrophenyl)- 2,4- dioxo- 2,3,4,5- tetrahydro- 1H- indeno[2',1':5,6]pyrido[2,3- d]pyrimidin- 6- ylpropanoate
Smiles: CCC(=O)OC1=C2C(=Nc3c(C2c2cccc(c2)[N+](=O)[O-])c(=O)n(c(=O)n3C)C)c2c1cccc2

STK054415
Synonyms: 9,10- dioxo- 9,10- dihydroanthracen- 1- yl4- (4- pentylcyclohexyl)benzoate
Smiles: CCCCCC1CCC(CC1)c1ccc(cc1)C(=O)Oc1cccc2c1C(=O)c1c(C2=O)cccc1

STK054452
Synonyms: 3,4- dichloro- N- (4,5- diphenyl- 1,3- oxazol- 2- yl)benzamide
Smiles: O=C(c1ccc(c(c1)Cl)Cl)Nc1nc(c(o1)c1ccccc1)c1ccccc1

STK054474
Synonyms: (6E)- 6- (4- {2- [4- (butan- 2- yl)phenoxy]ethoxy}- 3,5- dimethoxybenzylidene)- 2- (2- chlorophenyl)- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCC(c1ccc(cc1)OCCOc1c(OC)cc(cc1OC)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1ccccc1Cl)C

STK054489
Synonyms: methyl4- {[(carbamoylsulfanyl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSC(=O)N

STK054497
Synonyms: 2- (4- tert- butylphenoxy)- N- [2- (5- chloronaphthalen- 1- yl)- 1,3- benzoxazol- 5- yl]acetamide
Smiles: O=C(Nc1ccc2c(c1)nc(o2)c1cccc2c1cccc2Cl)COc1ccc(cc1)C(C)(C)C

STK054516
Synonyms: 4- [(2Z)- 2- {1- [5- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 3- methyl- 5- oxo- 1,5- dihydro- 4H- pyrazol- 4- ylidene}hydrazinyl]- 2- hydroxybenzoicacid
Smiles: Clc1ccc(cc1)c1cnc(s1)N1N=C(/C(=N/Nc2ccc(c(c2)O)C(=O)O)/C1=O)C

STK054522
Synonyms: N- (pyridin- 2- yl)- 2- (1H- 1,2,4- triazol- 5- ylsulfanyl)acetamide
Smiles: O=C(Nc1ccccn1)CSc1ncn[nH]1

STK054549
Synonyms: methyl5- acetyl- 6- methyl- 2- oxo- 1,2- dihydropyridine- 3- carboxylate
Smiles: COC(=O)c1cc(C(=O)C)c([nH]c1=O)C

STK054550
Synonyms: 2- (4- chlorophenyl)- N- (2,2- diphenylethyl)- 2- (morpholin- 4- yl)acetamide
Smiles: O=C(C(c1ccc(cc1)Cl)N1CCOCC1)NCC(c1ccccc1)c1ccccc1

STK054584
Synonyms: 3- {[7- (4- chlorobenzyl)- 1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]sulfanyl}propanoicacid
Smiles: OC(=O)CCSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

STK054594
Synonyms: 2- [(Z)- (5- bromo- 2- oxo- 1- propyl- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]- 3- (2- methylphenyl)quinazolin- 4(3H)- one
Smiles: CCCN1c2ccc(cc2/C(=C/c2nc3ccccc3c(=O)n2c2ccccc2C)/C1=O)Br

STK054607
Synonyms: N- [4- ({[4- (heptyloxy)phenyl]carbonyl}amino)phenyl]furan- 2- carboxamide
Smiles: CCCCCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1)NC(=O)c1ccco1

STK054632
Synonyms: 2- oxo- 1,8- dioxaspiro[4.5]decane- 4- carboxylicacid
Smiles: O=C1CC(C2(O1)CCOCC2)C(=O)O

STK054638
Synonyms: 5- (2- hydroxyethyl)- 3,4- dimethyl- 3a,7a- dihydropyrano[2,3- c]pyrazol- 6(1H)- one
Smiles: OCCC1=C(C)C2C(OC1=O)NN=C2C

STK054645
Synonyms: 2- {2- [4- (4- chlorophenyl)- 2,2,4,6- tetramethyl- 3,4- dihydroquinolin- 1(2H)- yl]- 2- oxoethyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: Cc1ccc2c(c1)C(C)(CC(N2C(=O)CN1C(=O)c2c(C1=O)cccc2)(C)C)c1ccc(cc1)Cl

STK054653
Synonyms: 3- butoxy- N- (4- methylpyridin- 2- yl)benzamide
Smiles: CCCCOc1cccc(c1)C(=O)Nc1nccc(c1)C

STK054659
Synonyms: 2- methyl- N- [(E)- (2- methylphenyl)methylidene]- 4- nitroaniline
Smiles: Cc1cc(ccc1/N=C/c1ccccc1C)[N+](=O)[O-]

STK054669
Synonyms: 2- (3- methyl- 1- phenyl- 1H- 1,2,4- triazol- 5- yl)phenol
Smiles: Cc1nn(c(n1)c1ccccc1O)c1ccccc1

STK054687
Synonyms: N- [2- chloro- 5- (trifluoromethyl)phenyl]- 3,5- dinitrobenzamide
Smiles: O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])Nc1cc(ccc1Cl)C(F)(F)F

STK054694
Synonyms: 2'- [(2- methyl- 4- nitrophenyl)carbamoyl]biphenyl- 2- carboxylicacid
Smiles: Cc1cc(ccc1NC(=O)c1ccccc1c1ccccc1C(=O)O)[N+](=O)[O-]

STK054706
Synonyms: (2E)- 3- [5- (azepan- 1- yl)furan- 2- yl]- 2- cyano- N,N- dimethylprop- 2- enamide
Smiles: CN(C(=O)/C(=C/c1ccc(o1)N1CCCCCC1)/C#N)C

STK054728
Synonyms: N- [4- (4- tert- butylphenoxy)- 9,10- dioxo- 9,10- dihydroanthracen- 1- yl]- 4- methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)Oc1ccc(cc1)C(C)(C)C