AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-41

SMILES stringlengths 2 803	IUPAC stringlengths 4 1.45k
CC(C)(C)CCNC(=O)Nc1ccccc1OCC(=O)O	2-[2-(3,3-dimethylbutylcarbamoylamino)phenoxy]acetic acid
CCCOc1ccccc1/C=N/NC(=O)c1ccc(O)cc1	4-hydroxy-N-[(E)-(2-propoxyphenyl)methylideneamino]benzamide
I.NC(=NCc1ccc(O)cc1)N1CCN(c2ccc(Cl)cc2)CC1	4-(4-chlorophenyl)-N'-[(4-hydroxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CC1CCc2cc(F)ccc2N1C(=O)Nc1ccc([N+](=O)[O-])cc1	6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
COc1ccc(-c2nc(NC(=O)CCNS(=O)(=O)c3c(C)cc(C)cc3C)n[nH]2)c(OC)c1	N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
COc1ccc(C=CC(=O)NC[C@H]2CCC[C@@H]2CN2CCN(c3nsc4ccccc34)CC2)c(OC)c1	N-[[(1S,2S)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclopentyl]methyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
C[C@H]1COC[C@@H](c2ccc(Cl)nc2)N1C(=O)c1cc2c3c(c(N)nc2cn1)COC3	(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-(6-chloropyridin-3-yl)-5-methylmorpholin-4-yl]methanone
Cl.NC1(C(=O)NCCS(=O)(=O)NCC2CCCCO2)CC1	1-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
Cc1cc(Cn2cncn2)c(O)c(Cn2cncn2)c1	4-methyl-2,6-bis(1,2,4-triazol-1-ylmethyl)phenol
CCC1SCC(C(=O)O)N1C(=O)COc1ccccc1	2-ethyl-3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid
Oc1ccccc1-c1cc2ccc(N3CCNCC3)cc2nn1	2-(7-piperazin-1-ylcinnolin-3-yl)phenol
C=C(SCCOP(=C)(OCCSC(=O)C(C)(C)C)C(F)(F)c1ccc2ccc(C(N)=O)cc2c1)C(C)(C)C	S-[2-[[(7-carbamoylnaphthalen-2-yl)-difluoromethyl]-[2-(3,3-dimethylbut-1-en-2-ylsulfanyl)ethoxy]-methylidene-λ5-phosphanyl]oxyethyl] 2,2-dimethylpropanethioate
O=C(NCCO)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1	N-[1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CC(C)C(N)COc1ccccc1CCCNC(=O)OC(C)(C)C	tert-butyl N-[3-[2-(2-amino-3-methylbutoxy)phenyl]propyl]carbamate
CNc1nc(Nc2ccc(-n3cnc(Cl)c3)c(OC)c2)nc2c1CN(S(C)(=O)=O)CC2c1ccccc1	2-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-N-methyl-6-methylsulfonyl-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
O=CN1CCC(n2c(=O)n(Cc3ccc(-c4cncnc4)cc3)c(=O)c3cc(OC(CF)CF)ccc32)CC1	4-[6-(1,3-difluoropropan-2-yloxy)-2,4-dioxo-3-[(4-pyrimidin-5-ylphenyl)methyl]quinazolin-1-yl]piperidine-1-carbaldehyde
CC1CCN(C(CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c2cccs2)CC1	1,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxobenzimidazole-5-sulfonamide
CCCCc1cc2n[nH]nc2c(CC)c1N	6-butyl-4-ethyl-2H-benzotriazol-5-amine
CC(C)(C)OC(=O)N1CCc2c1cc(S(=O)(=O)O)c1[nH]c(C(=O)N3CCc4c3cc(S(=O)(=O)O)c3[nH]c(C(=O)N5CCc6c5ccc5[nH]c(C(=O)OCCc7ccc([N+](=O)[O-])cc7)cc65)cc43)cc21.CC(C)(C)OC(=O)N1CCc2c1cc(S(=O)(=O)O)c1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)OCCc5ccc([N+](=O)[O-])cc5)cc43)cc21	6-[(2-methylpropan-2-yl)oxycarbonyl]-2-[2-[2-(4-nitrophenyl)ethoxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-4-sulfonic acid;6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-4-sulfo-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-2-[2-[2-(4-nitrophenyl)ethoxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-4-sulfonic acid
O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2ccc(F)cc2n1	3-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
Cc1cccc(C(=O)Nc2cccc3cn[nH]c23)n1	N-(1H-indazol-7-yl)-6-methylpyridine-2-carboxamide
CC(=O)Oc1ccc(N2C(=O)CC(N(C3CCCCCC3)S(=O)(=O)c3ccc4ccccc4c3)C2=O)cc1	[4-[3-[cycloheptyl(naphthalen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CC(=O)N(C)C1(C(=O)O)CCSC1	3-[acetyl(methyl)amino]thiolane-3-carboxylic acid
Cc1ccccc1CN(C)CCOC1CCNCC1	N-methyl-N-[(2-methylphenyl)methyl]-2-piperidin-4-yloxyethanamine
CC(C)(C)C1=COC=C(C(C)(C)C)C1=c1c(C(C)(C)C)cc(=CCCC=C2C=CC(=O)C=C2)cc1C(C)(C)C	4-[4-[3,5-ditert-butyl-4-(3,5-ditert-butylpyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]butylidene]cyclohexa-2,5-dien-1-one
[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])N1C2([2H])CC(=O)C(C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])C)C1([2H])[2H].[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])N1C2([2H])CC(=O)C(CC(C)C)C1([2H])[2H].[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])C1([2H])N(CC([2H])(C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])C)C(=O)C1([2H])[2H])C([2H])([2H])C2([2H])[2H].[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])C1([2H])N(CC([2H])(CC(C)C)C(=O)C1([2H])[2H])C([2H])([2H])C2([2H])[2H]	4,4,6,6,7,7,11b-heptadeuterio-3-(2-methylpropyl)-9,10-bis(trideuteriomethoxy)-1,3-dihydrobenzo[a]quinolizin-2-one;4,4,6,6,7,7,11b-heptadeuterio-3-[1,1,2,3,3-pentadeuterio-2-(trideuteriomethyl)butyl]-9,10-bis(trideuteriomethoxy)-1,3-dihydrobenzo[a]quinolizin-2-one;1,1,3,6,6,7,7,11b-octadeuterio-3-(2-methylpropyl)-9,10-bis(trideuteriomethoxy)-4H-benzo[a]quinolizin-2-one;1,1,3,6,6,7,7,11b-octadeuterio-3-[1,1,2,3,3-pentadeuterio-2-(trideuteriomethyl)butyl]-9,10-bis(trideuteriomethoxy)-4H-benzo[a]quinolizin-2-one
C=CCc1ccsn1	3-prop-2-enyl-1,2-thiazole
CNC1CCCN(C(C)c2sc(C)nc2C)C1	1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpiperidin-3-amine
CSC1CCC(NCc2cc(F)cc(/C(N)=N/O)c2)C1	3-fluoro-N'-hydroxy-5-[[(3-methylsulfanylcyclopentyl)amino]methyl]benzenecarboximidamide
Cc1nc(-c2ccccc2)cc2nn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)n12	2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CC1CC(C)CN(C2=C(c3ccccc3)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)C1	1-(2,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CC(C)CCOCC(=O)c1cc(Cl)sc1Cl	1-(2,5-dichlorothiophen-3-yl)-2-(3-methylbutoxy)ethanone
COC(=O)c1cc(Br)cc(NC2C[C@@H](C)N(C(=O)O)[C@H](C)C2)c1C	(2R,6R)-4-(5-bromo-3-methoxycarbonyl-2-methylanilino)-2,6-dimethylpiperidine-1-carboxylic acid
COc1ccc(Cl)cc1/C=N\OCc1cccc([N+](=O)[O-])c1	(Z)-1-(5-chloro-2-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine
C=C[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)O)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	(2S)-2-[(3S)-3-ethenyl-4-(2-nitrophenyl)sulfonyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoic acid
CC(=CCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCC(C)CCCC(C)CCCC(C)C	[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 5,9,13,17-tetramethyloctadec-4-enoate
Cc1sc(CNC(C)C)cc1COc1ccc(F)c(Br)c1	N-[[4-[(3-bromo-4-fluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine
C=CC(C)C.CC(C)(C)c1ccc(Br)cc1.CC(C)C.CC(C)CCCO.CC(C)CCS.CC(C)Cc1ccccc1.CC(C)c1cc(CO)c(CO)c(CO)c1.CCC.CCCCCC(C)C.Cc1ccc(C(C)C)cc1	[2,3-bis(hydroxymethyl)-5-propan-2-ylphenyl]methanol;1-bromo-4-tert-butylbenzene;3-methylbutane-1-thiol;3-methylbut-1-ene;2-methylheptane;4-methylpentan-1-ol;2-methylpropane;1-methyl-4-propan-2-ylbenzene;2-methylpropylbenzene;propane
Nc1ccc2ncn(-c3nc4ccc(O)cc4s3)c(=O)c2c1	6-amino-3-(6-hydroxy-1,3-benzothiazol-2-yl)quinazolin-4-one
CCCC(C)(C)NCc1ccc([N+](=O)[O-])s1	2-methyl-N-[(5-nitrothiophen-2-yl)methyl]pentan-2-amine
CCc1nc2c(Br)cc(C)cn2c1C(=O)N(C)c1ccccc1	8-bromo-2-ethyl-N,6-dimethyl-N-phenylimidazo[1,2-a]pyridine-3-carboxamide
C=C(N)N/N=C(\C)c1ccc(SCCCC)cc1	1-N'-[(E)-1-(4-butylsulfanylphenyl)ethylideneamino]ethene-1,1-diamine
CCCC(C)(C)NC(=O)[C@@H]1Cc2ccccc2N1	(2S)-N-(2-methylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CC(C)OC(=O)/C=C(/c1cc(Cl)c(Cl)c(Cl)c1)C(F)(F)F	propan-2-yl (Z)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-2-enoate
[Au+].[C-]#Cc1ccc(C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1	1-ethynyl-4-methylbenzene;gold(1+);triphenylphosphane
OC1(CNCc2ccc(Br)cc2)CCOCC1	4-[[(4-bromophenyl)methylamino]methyl]oxan-4-ol
O=C(/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2F)cc1)OCC(COC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2F)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	[4-[(E)-3-[2-(2,4-dinitrophenyl)-3-[(E)-3-[4-[2-fluoro-4-(4,4,4-trifluorobutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxypropoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(4,4,4-trifluorobutoxy)benzoate
COc1cc(C(O)C(CCCc2ccccc2)Cc2ccc(C(=O)O)cc2)cc(OC)c1C	4-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]benzoic acid
Cc1cc(F)ccc1S(=O)(=O)Nc1ncnc2sccc12	4-fluoro-2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide
CCOc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1	4-ethoxy-N-[4-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carbothioyl]benzamide
CC(CN)N(C)C(=O)c1cccc(N2CCCS2(=O)=O)c1.Cl	N-(1-aminopropan-2-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide;hydrochloride
CCCC(=O)Nc1ccc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)c(C)c1	N-[4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]butanamide
COc1ncc(CN(C)CCc2scnc2C)cn1	N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
O=C(Nc1cccc(-c2nnco2)c1)c1cc(Br)ccn1	4-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-2-carboxamide
C=CCOc1ccc(Br)cc1/C=N\NC(=O)CNc1cccc2ccccc12	N-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
Cn1ncc2c(NC3CCSC3)ncnc21	1-methyl-N-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CCn1c(C)cc2ccc(CC(=O)O)cc21	2-(1-ethyl-2-methylindol-6-yl)acetic acid
CC(=O)NC=CSC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)N)[C@H]2C1	(5R,6R)-3-(2-acetamidoethenylsulfanyl)-6-[(1R)-1-aminoethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CCC(C)(O)COc1ccc2c(c1)CCC2=O	5-(2-hydroxy-2-methylbutoxy)-2,3-dihydroinden-1-one
COCC(O)CNc1cc(N)cc(F)c1	1-(3-amino-5-fluoroanilino)-3-methoxypropan-2-ol
CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)c(OCC)c2)C1c1cn(C)c2ccccc12	(4E)-1-butyl-4-[(4-chloro-3-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)pyrrolidine-2,3-dione
CCOC(=O)/C(C(N)=NCCCO)=C(\O)OCC	ethyl (E)-3-ethoxy-3-hydroxy-2-[N'-(3-hydroxypropyl)carbamimidoyl]prop-2-enoate
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1C	(5E)-3-[(2-bromophenyl)methyl]-5-[(3-methoxy-4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1	(2S)-2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CS(=O)(=O)c1nnc(CCCNS(=O)(=O)Cc2cccc(Cl)c2)o1	1-(3-chlorophenyl)-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]methanesulfonamide
CSc1ccc(Cl)c(C(=O)NCCCCCC(=O)O)c1	6-[(2-chloro-5-methylsulfanylbenzoyl)amino]hexanoic acid
Cc1ccc(F)cc1Oc1ccc(S(N)(=O)=O)c(C)c1	4-(5-fluoro-2-methylphenoxy)-2-methylbenzenesulfonamide
O=C(NCc1ccno1)C1CCN(C(=O)[C@@H]2CCCO2)CC1	N-(1,2-oxazol-5-ylmethyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide
CCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1	3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(3-nitrophenyl)-4H-pyran-3,5-dicarboxylate
CN(c1ccc(-c2cnc3[nH]c4ccc(OS(=O)(=O)c5cccs5)cc4c3c2-c2ccccc2)cc1)S(C)(=O)=O	[3-[4-[methyl(methylsulfonyl)amino]phenyl]-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfonate
CCCC(CCC=O)N(C)C	4-(dimethylamino)heptanal
CCC(C)CCSCCN(C)C	N,N-dimethyl-2-(3-methylpentylsulfanyl)ethanamine
CC(C)CN(/C=C(/C#N)C(=O)N1CCN(c2ccc(F)cc2)CC1)CC(C)C	(Z)-3-[bis(2-methylpropyl)amino]-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile
CCCN(CC(=O)O)c1ccc([N+](=O)[O-])c(C#N)n1	2-[(6-cyano-5-nitropyridin-2-yl)-propylamino]acetic acid
CC(C)(C(=O)NCCCCC(F)(F)F)N1CCNCC1	2-methyl-2-piperazin-1-yl-N-(5,5,5-trifluoropentyl)propanamide
Cc1ccc(-c2nc(NC(=O)COc3cccc(F)c3)cc(-c3nccs3)n2)o1	2-(3-fluorophenoxy)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CCCCCCOC(=O)c1c(O)cc(O)cc1CCC	hexyl 2,4-dihydroxy-6-propylbenzoate
COc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1	7-fluoro-1-(3-methoxyphenyl)-2-(4-methylpyridin-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CS(=O)(=O)c1c(C(F)(F)F)cc(C2CC2)c(C(=O)c2c(C3CC3)cc(C(F)(F)F)c(S(C)(=O)=O)c2-c2cnoc2)c1-c1cnoc1	bis[6-cyclopropyl-3-methylsulfonyl-2-(1,2-oxazol-4-yl)-4-(trifluoromethyl)phenyl]methanone
CC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)c3cnn(C)c3)CC2)cc(C)n1	1-[(2R)-2-[6-methyl-4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]pyridin-2-yl]pyrrolidin-1-yl]ethanone
O=C1c2ccccc2C(=O)N1CCCCN(C[C@@H]1CCCN1C(=O)O)C(=O)C(F)(F)F	(2S)-2-[[4-(1,3-dioxoisoindol-2-yl)butyl-(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid
CN=C(NCCCOCC1CC1)NC1CC=CC1	1-cyclopent-3-en-1-yl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine
CC#CCN(CCC)C(C)(C)C	N-tert-butyl-N-propylbut-2-yn-1-amine
CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3Cl)CC2)cc1	1-(4-tert-butylphenyl)sulfonyl-N-(2-chloro-4-fluorophenyl)piperidine-4-carboxamide
CN1CCN(C[C@H](Nc2ncccc2[N+](=O)[O-])c2ccccc2)CC1	N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]-3-nitropyridin-2-amine
CC(C)[C@@H]1C[C@](CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)(c2ccccc2)CCO1	[2-[(8S,9S,10R,11S,13S,14R,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-oxo-4-[2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethylamino]butanoate
FC(F)(F)CNCc1nc(Cc2ccc(Cl)c(Cl)c2)no1	N-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine
O=C1CS[C@H](c2ccccc2Cl)N1C1CCCCC1	(2R)-2-(2-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one
CC1CCC(NC(C)c2cnn(-c3ccccc3)c2)C1	3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]cyclopentan-1-amine
C/C=C\C=C/C=C/C.CCCN(C(=O)C(NC(=O)[C@H](C)N(C)C=O)C(C)(C)C)C(C)C.COC(C)(C)C.OCO	2-[[(2S)-2-[formyl(methyl)amino]propanoyl]amino]-3,3-dimethyl-N-propan-2-yl-N-propylbutanamide;methanediol;2-methoxy-2-methylpropane;(2Z,4Z,6E)-octa-2,4,6-triene
CC(C)(C)c1ccc2c(c1)N(c1cc(-c3ccccc3)cc(-c3ccccc3)c1)c1cccc3c1B2c1cc2c(cc1N3c1cc(-c3ccccc3)cc(-c3ccccc3)c1)CCC2	5-tert-butyl-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene
CCC(c1nn2cccc2c(=O)n1-c1ccc(F)cc1)C1CCCN1c1ncnc2nc[nH]c12	3-(4-fluorophenyl)-2-[1-[1-(7H-purin-6-yl)pyrrolidin-2-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CCCN(C)c1c(F)cc(CNC)cc1F	2,6-difluoro-N-methyl-4-(methylaminomethyl)-N-propylaniline
C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@]5(C[C@@]35C(O)C[C@]12C)C(=O)CC(O)[C@@]4(C)C(=O)O)C(C)C	(1R,3S,7S,8R,12R,15R,16R)-6,18-dihydroxy-7,16-dimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-4-oxopentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-ene-7-carboxylic acid
CCOc1cc(C2NC(=S)N(c3ccccc3OC)C(C)=C2C(=O)OC)ccc1OC(F)F	methyl 6-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
Cc1ccc(CSCCNC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1	2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
NC(=O)Nc1ccc(CNC(=O)[C@H]2Cc3ccccc3O2)cc1	(2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
COc1ccnc(CNC(=O)NC2CCN(Cc3ccc(C#N)cc3)C2=O)c1F	1-[1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-[(3-fluoro-4-methoxypyridin-2-yl)methyl]urea
CC1=CC=C(c2ncc(Cl)cc2-c2ccc(C(=O)[O-])cc2)CN1	4-[5-chloro-2-(6-methyl-1,2-dihydropyridin-3-yl)pyridin-3-yl]benzoate
CC(C)(C)OC(=O)N1CCN(CCCOCCCOC2CC(O)C2)CC1	tert-butyl 4-[3-[3-(3-hydroxycyclobutyl)oxypropoxy]propyl]piperazine-1-carboxylate

CC(C)(C)CCNC(=O)Nc1ccccc1OCC(=O)O

2-[2-(3,3-dimethylbutylcarbamoylamino)phenoxy]acetic acid

CCCOc1ccccc1/C=N/NC(=O)c1ccc(O)cc1

4-hydroxy-N-[(E)-(2-propoxyphenyl)methylideneamino]benzamide

I.NC(=NCc1ccc(O)cc1)N1CCN(c2ccc(Cl)cc2)CC1

4-(4-chlorophenyl)-N'-[(4-hydroxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide

CC1CCc2cc(F)ccc2N1C(=O)Nc1ccc([N+](=O)[O-])cc1

6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide

COc1ccc(-c2nc(NC(=O)CCNS(=O)(=O)c3c(C)cc(C)cc3C)n[nH]2)c(OC)c1

N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

COc1ccc(C=CC(=O)NC[C@H]2CCC[C@@H]2CN2CCN(c3nsc4ccccc34)CC2)c(OC)c1

N-[[(1S,2S)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclopentyl]methyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide

C[C@H]1COC[C@@H](c2ccc(Cl)nc2)N1C(=O)c1cc2c3c(c(N)nc2cn1)COC3

(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(3R,5S)-3-(6-chloropyridin-3-yl)-5-methylmorpholin-4-yl]methanone

Cl.NC1(C(=O)NCCS(=O)(=O)NCC2CCCCO2)CC1

1-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]cyclopropane-1-carboxamide;hydrochloride

Cc1cc(Cn2cncn2)c(O)c(Cn2cncn2)c1

4-methyl-2,6-bis(1,2,4-triazol-1-ylmethyl)phenol

CCC1SCC(C(=O)O)N1C(=O)COc1ccccc1

2-ethyl-3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid

Oc1ccccc1-c1cc2ccc(N3CCNCC3)cc2nn1

2-(7-piperazin-1-ylcinnolin-3-yl)phenol

C=C(SCCOP(=C)(OCCSC(=O)C(C)(C)C)C(F)(F)c1ccc2ccc(C(N)=O)cc2c1)C(C)(C)C

S-[2-[[(7-carbamoylnaphthalen-2-yl)-difluoromethyl]-[2-(3,3-dimethylbut-1-en-2-ylsulfanyl)ethoxy]-methylidene-λ5-phosphanyl]oxyethyl] 2,2-dimethylpropanethioate

O=C(NCCO)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1

N-[1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide

CC(C)C(N)COc1ccccc1CCCNC(=O)OC(C)(C)C

tert-butyl N-[3-[2-(2-amino-3-methylbutoxy)phenyl]propyl]carbamate

CNc1nc(Nc2ccc(-n3cnc(Cl)c3)c(OC)c2)nc2c1CN(S(C)(=O)=O)CC2c1ccccc1

2-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-N-methyl-6-methylsulfonyl-8-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine

O=CN1CCC(n2c(=O)n(Cc3ccc(-c4cncnc4)cc3)c(=O)c3cc(OC(CF)CF)ccc32)CC1

4-[6-(1,3-difluoropropan-2-yloxy)-2,4-dioxo-3-[(4-pyrimidin-5-ylphenyl)methyl]quinazolin-1-yl]piperidine-1-carbaldehyde

CC1CCN(C(CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c2cccs2)CC1

1,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxobenzimidazole-5-sulfonamide

CCCCc1cc2n[nH]nc2c(CC)c1N

6-butyl-4-ethyl-2H-benzotriazol-5-amine

CC(C)(C)OC(=O)N1CCc2c1cc(S(=O)(=O)O)c1[nH]c(C(=O)N3CCc4c3cc(S(=O)(=O)O)c3[nH]c(C(=O)N5CCc6c5ccc5[nH]c(C(=O)OCCc7ccc([N+](=O)[O-])cc7)cc65)cc43)cc21.CC(C)(C)OC(=O)N1CCc2c1cc(S(=O)(=O)O)c1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)OCCc5ccc([N+](=O)[O-])cc5)cc43)cc21

6-[(2-methylpropan-2-yl)oxycarbonyl]-2-[2-[2-(4-nitrophenyl)ethoxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-4-sulfonic acid;6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-4-sulfo-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-2-[2-[2-(4-nitrophenyl)ethoxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-4-sulfonic acid

O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2ccc(F)cc2n1

3-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one

Cc1cccc(C(=O)Nc2cccc3cn[nH]c23)n1

N-(1H-indazol-7-yl)-6-methylpyridine-2-carboxamide

CC(=O)Oc1ccc(N2C(=O)CC(N(C3CCCCCC3)S(=O)(=O)c3ccc4ccccc4c3)C2=O)cc1

[4-[3-[cycloheptyl(naphthalen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate

CC(=O)N(C)C1(C(=O)O)CCSC1

3-[acetyl(methyl)amino]thiolane-3-carboxylic acid

Cc1ccccc1CN(C)CCOC1CCNCC1

N-methyl-N-[(2-methylphenyl)methyl]-2-piperidin-4-yloxyethanamine

CC(C)(C)C1=COC=C(C(C)(C)C)C1=c1c(C(C)(C)C)cc(=CCCC=C2C=CC(=O)C=C2)cc1C(C)(C)C

4-[4-[3,5-ditert-butyl-4-(3,5-ditert-butylpyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]butylidene]cyclohexa-2,5-dien-1-one

[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])N1C2([2H])CC(=O)C(C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])C)C1([2H])[2H].[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])N1C2([2H])CC(=O)C(CC(C)C)C1([2H])[2H].[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])C1([2H])N(CC([2H])(C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])C)C(=O)C1([2H])[2H])C([2H])([2H])C2([2H])[2H].[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])C1([2H])N(CC([2H])(CC(C)C)C(=O)C1([2H])[2H])C([2H])([2H])C2([2H])[2H]

4,4,6,6,7,7,11b-heptadeuterio-3-(2-methylpropyl)-9,10-bis(trideuteriomethoxy)-1,3-dihydrobenzo[a]quinolizin-2-one;4,4,6,6,7,7,11b-heptadeuterio-3-[1,1,2,3,3-pentadeuterio-2-(trideuteriomethyl)butyl]-9,10-bis(trideuteriomethoxy)-1,3-dihydrobenzo[a]quinolizin-2-one;1,1,3,6,6,7,7,11b-octadeuterio-3-(2-methylpropyl)-9,10-bis(trideuteriomethoxy)-4H-benzo[a]quinolizin-2-one;1,1,3,6,6,7,7,11b-octadeuterio-3-[1,1,2,3,3-pentadeuterio-2-(trideuteriomethyl)butyl]-9,10-bis(trideuteriomethoxy)-4H-benzo[a]quinolizin-2-one

C=CCc1ccsn1

3-prop-2-enyl-1,2-thiazole

CNC1CCCN(C(C)c2sc(C)nc2C)C1

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpiperidin-3-amine

CSC1CCC(NCc2cc(F)cc(/C(N)=N/O)c2)C1

3-fluoro-N'-hydroxy-5-[[(3-methylsulfanylcyclopentyl)amino]methyl]benzenecarboximidamide

Cc1nc(-c2ccccc2)cc2nn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)n12

2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

CC1CC(C)CN(C2=C(c3ccccc3)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)C1

1-(2,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione

CC(C)CCOCC(=O)c1cc(Cl)sc1Cl

1-(2,5-dichlorothiophen-3-yl)-2-(3-methylbutoxy)ethanone

COC(=O)c1cc(Br)cc(NC2C[C@@H](C)N(C(=O)O)[C@H](C)C2)c1C

(2R,6R)-4-(5-bromo-3-methoxycarbonyl-2-methylanilino)-2,6-dimethylpiperidine-1-carboxylic acid

COc1ccc(Cl)cc1/C=N\OCc1cccc([N+](=O)[O-])c1

(Z)-1-(5-chloro-2-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine

C=C[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)O)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]

(2S)-2-[(3S)-3-ethenyl-4-(2-nitrophenyl)sulfonyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoic acid

CC(=CCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCC(C)CCCC(C)CCCC(C)C

[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 5,9,13,17-tetramethyloctadec-4-enoate

Cc1sc(CNC(C)C)cc1COc1ccc(F)c(Br)c1

N-[[4-[(3-bromo-4-fluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine

C=CC(C)C.CC(C)(C)c1ccc(Br)cc1.CC(C)C.CC(C)CCCO.CC(C)CCS.CC(C)Cc1ccccc1.CC(C)c1cc(CO)c(CO)c(CO)c1.CCC.CCCCCC(C)C.Cc1ccc(C(C)C)cc1

[2,3-bis(hydroxymethyl)-5-propan-2-ylphenyl]methanol;1-bromo-4-tert-butylbenzene;3-methylbutane-1-thiol;3-methylbut-1-ene;2-methylheptane;4-methylpentan-1-ol;2-methylpropane;1-methyl-4-propan-2-ylbenzene;2-methylpropylbenzene;propane

Nc1ccc2ncn(-c3nc4ccc(O)cc4s3)c(=O)c2c1

6-amino-3-(6-hydroxy-1,3-benzothiazol-2-yl)quinazolin-4-one

CCCC(C)(C)NCc1ccc([N+](=O)[O-])s1

2-methyl-N-[(5-nitrothiophen-2-yl)methyl]pentan-2-amine

CCc1nc2c(Br)cc(C)cn2c1C(=O)N(C)c1ccccc1

8-bromo-2-ethyl-N,6-dimethyl-N-phenylimidazo[1,2-a]pyridine-3-carboxamide

C=C(N)N/N=C(\C)c1ccc(SCCCC)cc1

1-N'-[(E)-1-(4-butylsulfanylphenyl)ethylideneamino]ethene-1,1-diamine

CCCC(C)(C)NC(=O)[C@@H]1Cc2ccccc2N1

(2S)-N-(2-methylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide

CC(C)OC(=O)/C=C(/c1cc(Cl)c(Cl)c(Cl)c1)C(F)(F)F

propan-2-yl (Z)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-2-enoate

[Au+].[C-]#Cc1ccc(C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

1-ethynyl-4-methylbenzene;gold(1+);triphenylphosphane

OC1(CNCc2ccc(Br)cc2)CCOCC1

4-[[(4-bromophenyl)methylamino]methyl]oxan-4-ol

O=C(/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2F)cc1)OCC(COC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2F)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

[4-[(E)-3-[2-(2,4-dinitrophenyl)-3-[(E)-3-[4-[2-fluoro-4-(4,4,4-trifluorobutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxypropoxy]-3-oxoprop-1-enyl]phenyl] 2-fluoro-4-(4,4,4-trifluorobutoxy)benzoate

COc1cc(C(O)C(CCCc2ccccc2)Cc2ccc(C(=O)O)cc2)cc(OC)c1C

4-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]benzoic acid

Cc1cc(F)ccc1S(=O)(=O)Nc1ncnc2sccc12

4-fluoro-2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide

CCOc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1

4-ethoxy-N-[4-(2,3,4,5,6-pentafluorophenyl)piperazine-1-carbothioyl]benzamide

CC(CN)N(C)C(=O)c1cccc(N2CCCS2(=O)=O)c1.Cl

N-(1-aminopropan-2-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide;hydrochloride

CCCC(=O)Nc1ccc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)c(C)c1

N-[4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-3-methylphenyl]butanamide

COc1ncc(CN(C)CCc2scnc2C)cn1

N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

O=C(Nc1cccc(-c2nnco2)c1)c1cc(Br)ccn1

4-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-2-carboxamide

C=CCOc1ccc(Br)cc1/C=N\NC(=O)CNc1cccc2ccccc12

N-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

Cn1ncc2c(NC3CCSC3)ncnc21

1-methyl-N-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

CCn1c(C)cc2ccc(CC(=O)O)cc21

2-(1-ethyl-2-methylindol-6-yl)acetic acid

CC(=O)NC=CSC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)N)[C@H]2C1

(5R,6R)-3-(2-acetamidoethenylsulfanyl)-6-[(1R)-1-aminoethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

CCC(C)(O)COc1ccc2c(c1)CCC2=O

5-(2-hydroxy-2-methylbutoxy)-2,3-dihydroinden-1-one

COCC(O)CNc1cc(N)cc(F)c1

1-(3-amino-5-fluoroanilino)-3-methoxypropan-2-ol

CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)c(OCC)c2)C1c1cn(C)c2ccccc12

(4E)-1-butyl-4-[(4-chloro-3-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)pyrrolidine-2,3-dione

CCOC(=O)/C(C(N)=NCCCO)=C(\O)OCC

ethyl (E)-3-ethoxy-3-hydroxy-2-[N'-(3-hydroxypropyl)carbamimidoyl]prop-2-enoate

COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1C

(5E)-3-[(2-bromophenyl)methyl]-5-[(3-methoxy-4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1

(2S)-2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide

CS(=O)(=O)c1nnc(CCCNS(=O)(=O)Cc2cccc(Cl)c2)o1

1-(3-chlorophenyl)-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]methanesulfonamide

CSc1ccc(Cl)c(C(=O)NCCCCCC(=O)O)c1

6-[(2-chloro-5-methylsulfanylbenzoyl)amino]hexanoic acid

Cc1ccc(F)cc1Oc1ccc(S(N)(=O)=O)c(C)c1

4-(5-fluoro-2-methylphenoxy)-2-methylbenzenesulfonamide

O=C(NCc1ccno1)C1CCN(C(=O)[C@@H]2CCCO2)CC1

N-(1,2-oxazol-5-ylmethyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide

CCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1

3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(3-nitrophenyl)-4H-pyran-3,5-dicarboxylate

CN(c1ccc(-c2cnc3[nH]c4ccc(OS(=O)(=O)c5cccs5)cc4c3c2-c2ccccc2)cc1)S(C)(=O)=O

[3-[4-[methyl(methylsulfonyl)amino]phenyl]-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfonate

CCCC(CCC=O)N(C)C

4-(dimethylamino)heptanal

CCC(C)CCSCCN(C)C

N,N-dimethyl-2-(3-methylpentylsulfanyl)ethanamine

CC(C)CN(/C=C(/C#N)C(=O)N1CCN(c2ccc(F)cc2)CC1)CC(C)C

(Z)-3-[bis(2-methylpropyl)amino]-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile

CCCN(CC(=O)O)c1ccc([N+](=O)[O-])c(C#N)n1

2-[(6-cyano-5-nitropyridin-2-yl)-propylamino]acetic acid

CC(C)(C(=O)NCCCCC(F)(F)F)N1CCNCC1

2-methyl-2-piperazin-1-yl-N-(5,5,5-trifluoropentyl)propanamide

Cc1ccc(-c2nc(NC(=O)COc3cccc(F)c3)cc(-c3nccs3)n2)o1

2-(3-fluorophenoxy)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

CCCCCCOC(=O)c1c(O)cc(O)cc1CCC

hexyl 2,4-dihydroxy-6-propylbenzoate

COc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1

7-fluoro-1-(3-methoxyphenyl)-2-(4-methylpyridin-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

CS(=O)(=O)c1c(C(F)(F)F)cc(C2CC2)c(C(=O)c2c(C3CC3)cc(C(F)(F)F)c(S(C)(=O)=O)c2-c2cnoc2)c1-c1cnoc1

bis[6-cyclopropyl-3-methylsulfonyl-2-(1,2-oxazol-4-yl)-4-(trifluoromethyl)phenyl]methanone

CC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)c3cnn(C)c3)CC2)cc(C)n1

1-[(2R)-2-[6-methyl-4-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]pyridin-2-yl]pyrrolidin-1-yl]ethanone

O=C1c2ccccc2C(=O)N1CCCCN(C[C@@H]1CCCN1C(=O)O)C(=O)C(F)(F)F

(2S)-2-[[4-(1,3-dioxoisoindol-2-yl)butyl-(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid

CN=C(NCCCOCC1CC1)NC1CC=CC1

1-cyclopent-3-en-1-yl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine

CC#CCN(CCC)C(C)(C)C

N-tert-butyl-N-propylbut-2-yn-1-amine

CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3Cl)CC2)cc1

1-(4-tert-butylphenyl)sulfonyl-N-(2-chloro-4-fluorophenyl)piperidine-4-carboxamide

CN1CCN(C[C@H](Nc2ncccc2[N+](=O)[O-])c2ccccc2)CC1

N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]-3-nitropyridin-2-amine

CC(C)[C@@H]1C[C@](CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)(c2ccccc2)CCO1

[2-[(8S,9S,10R,11S,13S,14R,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-oxo-4-[2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethylamino]butanoate

FC(F)(F)CNCc1nc(Cc2ccc(Cl)c(Cl)c2)no1

N-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine

O=C1CS[C@H](c2ccccc2Cl)N1C1CCCCC1

(2R)-2-(2-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one

CC1CCC(NC(C)c2cnn(-c3ccccc3)c2)C1

3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]cyclopentan-1-amine

C/C=C\C=C/C=C/C.CCCN(C(=O)C(NC(=O)[C@H](C)N(C)C=O)C(C)(C)C)C(C)C.COC(C)(C)C.OCO

2-[[(2S)-2-[formyl(methyl)amino]propanoyl]amino]-3,3-dimethyl-N-propan-2-yl-N-propylbutanamide;methanediol;2-methoxy-2-methylpropane;(2Z,4Z,6E)-octa-2,4,6-triene

CC(C)(C)c1ccc2c(c1)N(c1cc(-c3ccccc3)cc(-c3ccccc3)c1)c1cccc3c1B2c1cc2c(cc1N3c1cc(-c3ccccc3)cc(-c3ccccc3)c1)CCC2

5-tert-butyl-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene

CCC(c1nn2cccc2c(=O)n1-c1ccc(F)cc1)C1CCCN1c1ncnc2nc[nH]c12

3-(4-fluorophenyl)-2-[1-[1-(7H-purin-6-yl)pyrrolidin-2-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one

CCCN(C)c1c(F)cc(CNC)cc1F

2,6-difluoro-N-methyl-4-(methylaminomethyl)-N-propylaniline

C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@]5(C[C@@]35C(O)C[C@]12C)C(=O)CC(O)[C@@]4(C)C(=O)O)C(C)C

(1R,3S,7S,8R,12R,15R,16R)-6,18-dihydroxy-7,16-dimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-4-oxopentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-ene-7-carboxylic acid

CCOc1cc(C2NC(=S)N(c3ccccc3OC)C(C)=C2C(=O)OC)ccc1OC(F)F

methyl 6-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Cc1ccc(CSCCNC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1

2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide

NC(=O)Nc1ccc(CNC(=O)[C@H]2Cc3ccccc3O2)cc1

(2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

COc1ccnc(CNC(=O)NC2CCN(Cc3ccc(C#N)cc3)C2=O)c1F

1-[1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-[(3-fluoro-4-methoxypyridin-2-yl)methyl]urea

CC1=CC=C(c2ncc(Cl)cc2-c2ccc(C(=O)[O-])cc2)CN1

4-[5-chloro-2-(6-methyl-1,2-dihydropyridin-3-yl)pyridin-3-yl]benzoate

CC(C)(C)OC(=O)N1CCN(CCCOCCCOC2CC(O)C2)CC1

tert-butyl 4-[3-[3-(3-hydroxycyclobutyl)oxypropoxy]propyl]piperazine-1-carboxylate