AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-40

SMILES stringlengths 2 959	IUPAC stringlengths 6 1.64k
COc1ccccc1[C@@H](O)[C@H](N[C@@H](C)c1ccccc1O)C(=O)N1CCCC1	(2S,3R)-3-hydroxy-2-[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
O=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3nccc(-c4ccc(N(c5ccccc5)c5ccccc5)o4)n3)n2)c1	2-(4-carboxypyridin-2-yl)-6-[4-[5-(N-phenylanilino)furan-2-yl]pyrimidin-2-yl]pyridine-4-carboxylic acid
CC(Nc1ccc(NC(=O)c2cc(Br)ccc2F)cc1)c1ccccc1	5-bromo-2-fluoro-N-[4-(1-phenylethylamino)phenyl]benzamide
CCNC(=NCc1ccc(OC)cc1)NC1CC1c1ccccc1	1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine
CC(OC1CCCCCC1)C(=O)N(C)C(C)CN.Cl	N-(1-aminopropan-2-yl)-2-cycloheptyloxy-N-methylpropanamide;hydrochloride
COCCC1(CN=C=O)CC1	1-(isocyanatomethyl)-1-(2-methoxyethyl)cyclopropane
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C/C=C/c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C	(3S,3aS,4R,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one
CCC(C)C1CN(Cc2nc(C)cs2)C(C)CN1	2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ccc(Cl)c(F)c2)c1O.Cl	4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-chloro-3-fluorophenyl)phenol;hydrochloride
Cc1nc(CC(=O)NCc2cccnc2)sc1C(=O)O	4-methyl-2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-1,3-thiazole-5-carboxylic acid
COc1ccc(N2C(=O)CN(Cc3ccccc3C)C3CS(=O)(=O)CC32)cc1	4-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one
CN1CCC(NCc2ccc(F)cc2)CC1(C)C	N-[(4-fluorophenyl)methyl]-1,2,2-trimethylpiperidin-4-amine
CCNc1ccc([N+](=O)[O-])c(NC2CCCC(CC)C2)n1	6-N-ethyl-2-N-(3-ethylcyclohexyl)-3-nitropyridine-2,6-diamine
CCC1CN(Cc2ccncc2Cl)CCCN1	1-[(3-chloropyridin-4-yl)methyl]-3-ethyl-1,4-diazepane
CC(C)Cc1nnc(NC(=O)CCNC(=O)c2ccc(F)cc2Cl)s1	2-chloro-4-fluoro-N-[3-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
COc1ccccc1CN(Cc1cn2cc(C)ccc2n1)C1CC1	N-[(2-methoxyphenyl)methyl]-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclopropanamine
C.C.C.C.CC1(C)C(CC(=O)c2ccc(N3CCNCC3)nc2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1.CCCCCCCl.COC(=O)Cc1cc(OC)ccc1C(=O)OC.COC(=O)Cc1cc(OCCCCCCl)ccc1C(=O)OC.COC(=O)OC.COC(=O)c1ccc(OCCCCCCl)cc1CC(=O)O.COc1ccc(C(=O)O)c(C)c1.COc1ccc(C(=O)O)c(CC(=O)O)c1.O=C(O)Cc1cc(O)ccc1C(=O)O.O=S(Cl)Cl.O=S(Cl)Cl	2-(carboxymethyl)-4-hydroxybenzoic acid;2-(carboxymethyl)-4-methoxybenzoic acid;1-chlorohexane;2-[5-(5-chloropentoxy)-2-methoxycarbonylphenyl]acetic acid;2-chloro-4-[2,2,4,4-tetramethyl-3-[2-oxo-2-(6-piperazin-1-ylpyridin-3-yl)ethyl]cyclobutyl]oxybenzonitrile;dimethyl carbonate;methane;4-methoxy-2-methylbenzoic acid;methyl 4-(5-chloropentoxy)-2-(2-methoxy-2-oxoethyl)benzoate;methyl 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate;thionyl dichloride
C[C@H](O)[C@H](N)C(=O)c1ccccc1	(2S,3S)-2-amino-3-hydroxy-1-phenylbutan-1-one
Cc1noc(C)c1COc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1	tert-butyl 4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazine-1-carboxylate
COc1cc(OCC(=O)NC(C(=O)O)C(C)C)ccc1[N+](=O)[O-]	2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-3-methylbutanoic acid
CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc6c(c5)c5c7ccccc7ccc5c5nc7ccccc7n65)ccc4c3)cc21	14-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
NC(=O)c1cccc(NC(=O)c2ccc(Cl)s2)c1	N-(3-carbamoylphenyl)-5-chlorothiophene-2-carboxamide
Cc1cc(C)c(S)c(C)c1.Nc1ccc2cc(Br)ccc2n1	6-bromoquinolin-2-amine;2,4,6-trimethylbenzenethiol
C=CCOC(=O)N(C(=O)OCC=C)N([C@H]1C=CCC[C@@]1(C)C=O)S(C)(=O)=O	prop-2-enyl N-[[(1S,6R)-6-formyl-6-methylcyclohex-2-en-1-yl]-methylsulfonylamino]-N-prop-2-enoxycarbonylcarbamate
CCCOc1cccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1	7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CC(Nc1cccc(N2CCCCC2)c1)C(=O)N(C)Cc1ccccc1	N-benzyl-N-methyl-2-(3-piperidin-1-ylanilino)propanamide
CCOc1c(Br)ccc(C(=O)CC(=O)C2CC2)c1N(C)S(C)(=O)=O	N-[3-bromo-6-(3-cyclopropyl-3-oxopropanoyl)-2-ethoxyphenyl]-N-methylmethanesulfonamide
CCCCO.CCOC(C)=O.CCOC(C)=O	butan-1-ol;ethyl acetate
CN=C(NCCc1ccc(F)cc1F)NCc1ccc(N2CCCC2=O)cc1	1-[2-(2,4-difluorophenyl)ethyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
Cc1nc(-c2cccnn2)ncc1C(=O)NC1(c2ccc(-c3cccc4c3CCN=C4)cc2)CC1	N-[1-[4-(3,4-dihydroisoquinolin-5-yl)phenyl]cyclopropyl]-4-methyl-2-pyridazin-3-ylpyrimidine-5-carboxamide
CC(C)N(CC#N)C(=O)c1ccc2ccccc2n1	N-(cyanomethyl)-N-propan-2-ylquinoline-2-carboxamide
CCOC(=O)C1CNC2CCC(F)CC2C1=O	ethyl 6-fluoro-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline-3-carboxylate
C.C.C.N.N.P.S.S.S.[2HH].[2HH].[3HH].[3HH].[V].[W]	azane;deuterium monohydride;methane;phosphane;sulfane;tritium monohydride;tungsten;vanadium
CCCCCCCCOc1ccc([C@H](C)O)cc1	(1S)-1-(4-octoxyphenyl)ethanol
Cc1ccc(P)cc1CF	[3-(fluoromethyl)-4-methylphenyl]phosphane
O=C(O)C1CC1c1c(O)cc(O)cc1O	2-(2,4,6-trihydroxyphenyl)cyclopropane-1-carboxylic acid
O=C(c1ccc(NCc2ccc(C(F)(F)F)cc2)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(NCc2ccc(F)cc2)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(NCc2cccc(F)c2)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(NCc2cccs2)nc1)c1c[nH]c2ncccc12	[6-[(3-fluorophenyl)methylamino]pyridin-3-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]pyridin-3-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)pyridin-3-yl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]pyridin-3-yl]methanone
c1ccc2c(c1)ccc1c2c2c3c4ccccc4c4ccccc4c3ccc2n1-c1nc(-c2ccc3c(c2)sc2ccccc23)c2sc3ccccc3c2n1	2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzothiophen-3-yl-[1]benzothiolo[3,2-d]pyrimidine
CCNc1c(F)cc(C(=O)N(C)CCOCC)cc1F	N-(2-ethoxyethyl)-4-(ethylamino)-3,5-difluoro-N-methylbenzamide
CC.CC1N=C(c2cc(F)ccc2F)NO1	3-(2,5-difluorophenyl)-5-methyl-2,5-dihydro-1,2,4-oxadiazole;ethane
CC1(C)CC(CC(NC(=O)[C@H](CC2CCCCC2)SNC(=O)OC2CCCC2Cc2cccc(Cl)c2)C(=O)C(=O)NC2CC2)C(=O)N1	[2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[4-(cyclopropylamino)-1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]sulfanylcarbamate
CC[C@@]1(O)CCC[C@@H]2CN(S(=O)(=O)c3ccccc3OC)C[C@@H]21	(3aR,4R,7aS)-4-ethyl-2-(2-methoxyphenyl)sulfonyl-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CN=C(NCCc1cc(C)ccc1OC)NCC(c1ccco1)N1CCCC1.I	1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine;hydroiodide
Cc1ccc(-c2csc(NC(=O)C(Sc3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)c3ccccc3)n2)cc1	2,4-dichloro-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CCNC(=NCCOC)NCCc1nc(-c2ccco2)n[nH]1.I	1-ethyl-3-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CCOc1ccc(C(=O)c2csc(CN)n2)cc1OCC	[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-diethoxyphenyl)methanone
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(Cc5ccc(F)cc5)c5ccccc45)c(=O)n32)c(OC)c1	(2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CCC(CC)N(CCOC)c1c(Cl)cccc1CO	[3-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]methanol
O=C1NCCOc2ccc(C(Br)C3C4CCCC43)cc21	7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CC1/C(c2c(F)c(F)nc(C(F)(F)F)c2F)=C2C(=C(\C#N)c3cc(C(F)(F)F)cc(c3)C1(F)F)C\2=C(\C#N)c1c(F)c(F)nc(C(F)(F)F)c1F	(2Z,4E,5Z)-4-[cyano-[2,3,5-trifluoro-6-(trifluoromethyl)pyridin-4-yl]methylidene]-8,8-difluoro-7-methyl-11-(trifluoromethyl)-6-[2,3,5-trifluoro-6-(trifluoromethyl)pyridin-4-yl]tricyclo[7.3.1.03,5]trideca-1(13),2,5,9,11-pentaene-2-carbonitrile
O=C(NCC1CCCC1)C(Cc1ccncc1)c1ccccc1	N-(cyclopentylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide
C/C=C(/C)c1ccc(OC=O)cc1OOC	[4-[(Z)-but-2-en-2-yl]-3-methylperoxyphenyl] formate
O=C(O)CCC(=O)OCc1ccc(C(F)(F)F)cc1	4-oxo-4-[[4-(trifluoromethyl)phenyl]methoxy]butanoic acid
O[C@H](CN1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1	(1S)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-phenylethanol
N#CCC(c1cncc(Sc2nccs2)c1)n1cc(-c2ncnc3[nH]ccc23)cn1	3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-[5-(1,3-thiazol-2-ylsulfanyl)pyridin-3-yl]propanenitrile
O=C(Nc1ccc(-n2ccc3cc(NCCN4CCCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1	1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]pyridin-3-yl]urea
CC(NC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1	2-chloro-N-[2-methyl-2-(1-phenylethylamino)propyl]-5-nitrobenzamide
Cc1c(C)c(N(C)C)c(C)c(C)c1-c1c(C)c(-c2c(C)c(C)c(N(C)C)c(C)c2C)c(C)c(-c2c(C)c(C)c(N(C)C)c(C)c2C)c1C	4-[3,5-bis[4-(dimethylamino)-2,3,5,6-tetramethylphenyl]-2,4,6-trimethylphenyl]-N,N,2,3,5,6-hexamethylaniline
COC[C@H](NC(=O)c1cc(CO)on1)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1	5-(hydroxymethyl)-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
CC(C)(C)c1c[n+]2c3ccccc3[nH]c2n1CCN1CCCCC1	2-tert-butyl-3-(2-piperidin-1-ylethyl)-4H-imidazo[1,2-a]benzimidazol-9-ium
CC(C)N(C)S(=O)(=O)N(CCC(N)=NO)C1CC1	3-[cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CC(C)(C)OC(=O)[C@@H]1CCCN1C(N)=S	tert-butyl (2S)-1-carbamothioylpyrrolidine-2-carboxylate
c1ccc(-c2c3ccccc3c(N(c3ccccc3)c3cnc4cc5ncccc5cc4c3)c3ncccc23)cc1	N-phenyl-N-(5-phenylbenzo[g]quinolin-10-yl)pyrido[3,2-g]quinolin-3-amine
CC(C#N)=C(C)C(C)C	2,3,4-trimethylpent-2-enenitrile
C[C@@]12C[C@H](OCc3ccccc3Cl)[C@@]3(C)C[C@H]1CC[C@H]2O3	(1R,3R,6R,7R,9S)-9-[(2-chlorophenyl)methoxy]-1,7-dimethyl-2-oxatricyclo[4.3.1.03,7]decane
N#CCn1c(COC(=O)COc2ccccc2)nc2ccccc2c1=O	[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-phenoxyacetate
CCOCCCN=C(NN)N(C)c1ccc(OC)cc1	3-amino-2-(3-ethoxypropyl)-1-(4-methoxyphenyl)-1-methylguanidine
CC/C=C\C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)NCCNC(=O)CC[C@@H](C)C1CC[C@H]2[C@@H]3[C@H](O)[C@H](CC)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	(4E,7E,10E,13E,16E,19Z)-N-[2-[[(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethyl]docosa-4,7,10,13,16,19-hexaenamide
C=C1CN(Cc2ccc(F)cc2)CCO1	4-[(4-fluorophenyl)methyl]-2-methylidenemorpholine
CCNC(=NCc1ccc(C)cc1C)NCC(O)COCC1CC1.I	1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine;hydroiodide
COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1	3-[(2E)-2-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl 3-(benzenesulfonamido)benzoate
Cc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc2c(c1)N(C)C(=O)CO2	2-chloro-N-[5-methyl-4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CCCNC(Cc1cn2ccsc2n1)CC1CCCCO1	1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxan-2-yl)-N-propylpropan-2-amine
CC(C)Oc1cccc(CNc2cccnc2Br)c1	2-bromo-N-[(3-propan-2-yloxyphenyl)methyl]pyridin-3-amine
CC1(C)OB(c2ccc(OC[C@H](N)CC3=CCCC=C3)cc2F)OC1(C)C	(2R)-1-cyclohexa-1,5-dien-1-yl-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-amine
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)NC1CC1	(E)-2-cyano-N-cyclopropyl-3-(3-phenoxyphenyl)prop-2-enamide
CC(C)(O)CNc1nc(N2CCC(C)(C(N)=O)CC2)c2nc(-c3ccccc3Cl)n(-c3ccc(Cl)cc3)c2n1	1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)amino]purin-6-yl]-4-methylpiperidine-4-carboxamide
c1ccc(-c2cccc(-c3cccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5oc6ccccc6c45)c3)c2)cc1	2,4-diphenyl-6-[1-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(-c4ccc(-c5ccccn5)nc4)c3cc21	5-[10,10-dimethyl-21-(4-phenylphenyl)-14-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]-2-pyridin-2-ylpyridine
C[C@H](OC(C)(C)C)[C@@H](NC(=O)OCc1ccccc1)C(=O)ON1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1	[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoate
CC1(CNC(=O)c2csc(CN)n2)CCCCC1O.Cl	2-(aminomethyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CO[C@@H]1OC(=O)C=C1Nc1cc(C)ccc1O	(2R)-3-(2-hydroxy-5-methylanilino)-2-methoxy-2H-furan-5-one
CCCCCCCCCCOc1ccc(C(=O)NCc2cccc[n+]2C)cc1OC.[I-]	4-decoxy-3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide;iodide
C[N+](C)(C)CCOP(=O)([O-])[O-].O.[Ca+2].[Cl-]	calcium;2-(trimethylazaniumyl)ethyl phosphate;chloride;hydrate
COC(=O)CC(Cc1cccs1)C(=O)OC	dimethyl 2-(thiophen-2-ylmethyl)butanedioate
CCC1CCc2c(sc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc3sc4c(c3C(=O)OC)CCC(CC)C4)c2C(=O)OC)C1	methyl 6-ethyl-2-[[4-[(6-ethyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CCC(=O)NC[C@H](c1cccs1)S(=O)(=O)c1cc(C)ccc1C	N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide
C[C@H]1CN(C(=NC#N)c2ccccc2)CCN1C=O	[[(3S)-4-formyl-3-methylpiperazin-1-yl]-phenylmethylidene]cyanamide
COc1ccc(C(=O)c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)cc1OC	2-(3,4-dimethoxybenzoyl)-6-nitro-3H-quinazolin-4-one
CCCCCCCCCCCCCC/C=C/C(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	5-acetamido-2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-2-(octatriacontanoylamino)nonadec-4-enoxy]oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Cn1[nH]c(-c2cc(F)c(F)c(F)c2)nc1=S	2-methyl-5-(3,4,5-trifluorophenyl)-1H-1,2,4-triazole-3-thione
Cl.NCC1CCN(C(=O)CCC2CCCC2)CC1	1-[4-(aminomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
Cc1cc([N+](=O)[O-])ccc1NCc1ccc(CS(C)(=O)=O)cc1	2-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-4-nitroaniline
CCCNC1COCC1C(=O)N1CCCCC1	piperidin-1-yl-[4-(propylamino)oxolan-3-yl]methanone
C(=C\c1ccccc1)\CN1CCN(c2ncnc3c2cnn3Cc2ccccc2)CC1	1-benzyl-4-[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
CCCNC(CS(=O)c1ccc(C)cc1)C(C)(C)C	3,3-dimethyl-1-(4-methylphenyl)sulfinyl-N-propylbutan-2-amine
COc1ccc(C2(CNC(=O)C(=O)Nc3ccc(C(C)C)cc3)CCCC2)cc1	N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
C=CC(=O)c1ccc([N+](=O)[O-])cc1Br	1-(2-bromo-4-nitrophenyl)prop-2-en-1-one
CCCOc1ccc(CNC(=S)NC(=O)c2ccccc2OCC(C)C)cc1OC	N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-(2-methylpropoxy)benzamide
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NC(CC(C)C)C(=O)ON	amino 2-[[(Z)-docos-13-enoyl]amino]-4-methylpentanoate

COc1ccccc1[C@@H](O)[C@H](N[C@@H](C)c1ccccc1O)C(=O)N1CCCC1

(2S,3R)-3-hydroxy-2-[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]-3-(2-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one

O=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3nccc(-c4ccc(N(c5ccccc5)c5ccccc5)o4)n3)n2)c1

2-(4-carboxypyridin-2-yl)-6-[4-[5-(N-phenylanilino)furan-2-yl]pyrimidin-2-yl]pyridine-4-carboxylic acid

CC(Nc1ccc(NC(=O)c2cc(Br)ccc2F)cc1)c1ccccc1

5-bromo-2-fluoro-N-[4-(1-phenylethylamino)phenyl]benzamide

CCNC(=NCc1ccc(OC)cc1)NC1CC1c1ccccc1

1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)guanidine

CC(OC1CCCCCC1)C(=O)N(C)C(C)CN.Cl

N-(1-aminopropan-2-yl)-2-cycloheptyloxy-N-methylpropanamide;hydrochloride

COCCC1(CN=C=O)CC1

1-(isocyanatomethyl)-1-(2-methoxyethyl)cyclopropane

C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C/C=C/c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C

(3S,3aS,4R,4aR,5S,9aR)-4-hydroxy-4a,5-dimethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one

CCC(C)C1CN(Cc2nc(C)cs2)C(C)CN1

2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole

CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ccc(Cl)c(F)c2)c1O.Cl

4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-chloro-3-fluorophenyl)phenol;hydrochloride

Cc1nc(CC(=O)NCc2cccnc2)sc1C(=O)O

4-methyl-2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-1,3-thiazole-5-carboxylic acid

COc1ccc(N2C(=O)CN(Cc3ccccc3C)C3CS(=O)(=O)CC32)cc1

4-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one

CN1CCC(NCc2ccc(F)cc2)CC1(C)C

N-[(4-fluorophenyl)methyl]-1,2,2-trimethylpiperidin-4-amine

CCNc1ccc([N+](=O)[O-])c(NC2CCCC(CC)C2)n1

6-N-ethyl-2-N-(3-ethylcyclohexyl)-3-nitropyridine-2,6-diamine

CCC1CN(Cc2ccncc2Cl)CCCN1

1-[(3-chloropyridin-4-yl)methyl]-3-ethyl-1,4-diazepane

CC(C)Cc1nnc(NC(=O)CCNC(=O)c2ccc(F)cc2Cl)s1

2-chloro-4-fluoro-N-[3-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide

COc1ccccc1CN(Cc1cn2cc(C)ccc2n1)C1CC1

N-[(2-methoxyphenyl)methyl]-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclopropanamine

C.C.C.C.CC1(C)C(CC(=O)c2ccc(N3CCNCC3)nc2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1.CCCCCCCl.COC(=O)Cc1cc(OC)ccc1C(=O)OC.COC(=O)Cc1cc(OCCCCCCl)ccc1C(=O)OC.COC(=O)OC.COC(=O)c1ccc(OCCCCCCl)cc1CC(=O)O.COc1ccc(C(=O)O)c(C)c1.COc1ccc(C(=O)O)c(CC(=O)O)c1.O=C(O)Cc1cc(O)ccc1C(=O)O.O=S(Cl)Cl.O=S(Cl)Cl

2-(carboxymethyl)-4-hydroxybenzoic acid;2-(carboxymethyl)-4-methoxybenzoic acid;1-chlorohexane;2-[5-(5-chloropentoxy)-2-methoxycarbonylphenyl]acetic acid;2-chloro-4-[2,2,4,4-tetramethyl-3-[2-oxo-2-(6-piperazin-1-ylpyridin-3-yl)ethyl]cyclobutyl]oxybenzonitrile;dimethyl carbonate;methane;4-methoxy-2-methylbenzoic acid;methyl 4-(5-chloropentoxy)-2-(2-methoxy-2-oxoethyl)benzoate;methyl 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate;thionyl dichloride

C[C@H](O)[C@H](N)C(=O)c1ccccc1

(2S,3S)-2-amino-3-hydroxy-1-phenylbutan-1-one

Cc1noc(C)c1COc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1

tert-butyl 4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazine-1-carboxylate

COc1cc(OCC(=O)NC(C(=O)O)C(C)C)ccc1[N+](=O)[O-]

2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-3-methylbutanoic acid

CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc6c(c5)c5c7ccccc7ccc5c5nc7ccccc7n65)ccc4c3)cc21

14-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene

NC(=O)c1cccc(NC(=O)c2ccc(Cl)s2)c1

N-(3-carbamoylphenyl)-5-chlorothiophene-2-carboxamide

Cc1cc(C)c(S)c(C)c1.Nc1ccc2cc(Br)ccc2n1

6-bromoquinolin-2-amine;2,4,6-trimethylbenzenethiol

C=CCOC(=O)N(C(=O)OCC=C)N([C@H]1C=CCC[C@@]1(C)C=O)S(C)(=O)=O

prop-2-enyl N-[[(1S,6R)-6-formyl-6-methylcyclohex-2-en-1-yl]-methylsulfonylamino]-N-prop-2-enoxycarbonylcarbamate

CCCOc1cccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1

7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

CC(Nc1cccc(N2CCCCC2)c1)C(=O)N(C)Cc1ccccc1

N-benzyl-N-methyl-2-(3-piperidin-1-ylanilino)propanamide

CCOc1c(Br)ccc(C(=O)CC(=O)C2CC2)c1N(C)S(C)(=O)=O

N-[3-bromo-6-(3-cyclopropyl-3-oxopropanoyl)-2-ethoxyphenyl]-N-methylmethanesulfonamide

CCCCO.CCOC(C)=O.CCOC(C)=O

butan-1-ol;ethyl acetate

CN=C(NCCc1ccc(F)cc1F)NCc1ccc(N2CCCC2=O)cc1

1-[2-(2,4-difluorophenyl)ethyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine

Cc1nc(-c2cccnn2)ncc1C(=O)NC1(c2ccc(-c3cccc4c3CCN=C4)cc2)CC1

N-[1-[4-(3,4-dihydroisoquinolin-5-yl)phenyl]cyclopropyl]-4-methyl-2-pyridazin-3-ylpyrimidine-5-carboxamide

CC(C)N(CC#N)C(=O)c1ccc2ccccc2n1

N-(cyanomethyl)-N-propan-2-ylquinoline-2-carboxamide

CCOC(=O)C1CNC2CCC(F)CC2C1=O

ethyl 6-fluoro-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline-3-carboxylate

C.C.C.N.N.P.S.S.S.[2HH].[2HH].[3HH].[3HH].[V].[W]

azane;deuterium monohydride;methane;phosphane;sulfane;tritium monohydride;tungsten;vanadium

CCCCCCCCOc1ccc([C@H](C)O)cc1

(1S)-1-(4-octoxyphenyl)ethanol

Cc1ccc(P)cc1CF

[3-(fluoromethyl)-4-methylphenyl]phosphane

O=C(O)C1CC1c1c(O)cc(O)cc1O

2-(2,4,6-trihydroxyphenyl)cyclopropane-1-carboxylic acid

O=C(c1ccc(NCc2ccc(C(F)(F)F)cc2)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(NCc2ccc(F)cc2)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(NCc2cccc(F)c2)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(NCc2cccs2)nc1)c1c[nH]c2ncccc12

[6-[(3-fluorophenyl)methylamino]pyridin-3-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]pyridin-3-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)pyridin-3-yl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]pyridin-3-yl]methanone

c1ccc2c(c1)ccc1c2c2c3c4ccccc4c4ccccc4c3ccc2n1-c1nc(-c2ccc3c(c2)sc2ccccc23)c2sc3ccccc3c2n1

2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzothiophen-3-yl-[1]benzothiolo[3,2-d]pyrimidine

CCNc1c(F)cc(C(=O)N(C)CCOCC)cc1F

N-(2-ethoxyethyl)-4-(ethylamino)-3,5-difluoro-N-methylbenzamide

CC.CC1N=C(c2cc(F)ccc2F)NO1

3-(2,5-difluorophenyl)-5-methyl-2,5-dihydro-1,2,4-oxadiazole;ethane

CC1(C)CC(CC(NC(=O)[C@H](CC2CCCCC2)SNC(=O)OC2CCCC2Cc2cccc(Cl)c2)C(=O)C(=O)NC2CC2)C(=O)N1

[2-[(3-chlorophenyl)methyl]cyclopentyl] N-[(2S)-3-cyclohexyl-1-[[4-(cyclopropylamino)-1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]sulfanylcarbamate

CC[C@@]1(O)CCC[C@@H]2CN(S(=O)(=O)c3ccccc3OC)C[C@@H]21

(3aR,4R,7aS)-4-ethyl-2-(2-methoxyphenyl)sulfonyl-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol

CN=C(NCCc1cc(C)ccc1OC)NCC(c1ccco1)N1CCCC1.I

1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine;hydroiodide

Cc1ccc(-c2csc(NC(=O)C(Sc3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)c3ccccc3)n2)cc1

2,4-dichloro-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide

CCNC(=NCCOC)NCCc1nc(-c2ccco2)n[nH]1.I

1-ethyl-3-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide

CCOc1ccc(C(=O)c2csc(CN)n2)cc1OCC

[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,4-diethoxyphenyl)methanone

COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(Cc5ccc(F)cc5)c5ccccc45)c(=O)n32)c(OC)c1

(2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

CCC(CC)N(CCOC)c1c(Cl)cccc1CO

[3-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]phenyl]methanol

O=C1NCCOc2ccc(C(Br)C3C4CCCC43)cc21

7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one

CC1/C(c2c(F)c(F)nc(C(F)(F)F)c2F)=C2C(=C(\C#N)c3cc(C(F)(F)F)cc(c3)C1(F)F)C\2=C(\C#N)c1c(F)c(F)nc(C(F)(F)F)c1F

(2Z,4E,5Z)-4-[cyano-[2,3,5-trifluoro-6-(trifluoromethyl)pyridin-4-yl]methylidene]-8,8-difluoro-7-methyl-11-(trifluoromethyl)-6-[2,3,5-trifluoro-6-(trifluoromethyl)pyridin-4-yl]tricyclo[7.3.1.03,5]trideca-1(13),2,5,9,11-pentaene-2-carbonitrile

O=C(NCC1CCCC1)C(Cc1ccncc1)c1ccccc1

N-(cyclopentylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide

C/C=C(/C)c1ccc(OC=O)cc1OOC

[4-[(Z)-but-2-en-2-yl]-3-methylperoxyphenyl] formate

O=C(O)CCC(=O)OCc1ccc(C(F)(F)F)cc1

4-oxo-4-[[4-(trifluoromethyl)phenyl]methoxy]butanoic acid

O[C@H](CN1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1

(1S)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-phenylethanol

N#CCC(c1cncc(Sc2nccs2)c1)n1cc(-c2ncnc3[nH]ccc23)cn1

3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-[5-(1,3-thiazol-2-ylsulfanyl)pyridin-3-yl]propanenitrile

O=C(Nc1ccc(-n2ccc3cc(NCCN4CCCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]pyridin-3-yl]urea

CC(NC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1

2-chloro-N-[2-methyl-2-(1-phenylethylamino)propyl]-5-nitrobenzamide

Cc1c(C)c(N(C)C)c(C)c(C)c1-c1c(C)c(-c2c(C)c(C)c(N(C)C)c(C)c2C)c(C)c(-c2c(C)c(C)c(N(C)C)c(C)c2C)c1C

4-[3,5-bis[4-(dimethylamino)-2,3,5,6-tetramethylphenyl]-2,4,6-trimethylphenyl]-N,N,2,3,5,6-hexamethylaniline

COC[C@H](NC(=O)c1cc(CO)on1)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1

5-(hydroxymethyl)-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide

CC(C)(C)c1c[n+]2c3ccccc3[nH]c2n1CCN1CCCCC1

2-tert-butyl-3-(2-piperidin-1-ylethyl)-4H-imidazo[1,2-a]benzimidazol-9-ium

CC(C)N(C)S(=O)(=O)N(CCC(N)=NO)C1CC1

3-[cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide

CC(C)(C)OC(=O)[C@@H]1CCCN1C(N)=S

tert-butyl (2S)-1-carbamothioylpyrrolidine-2-carboxylate

c1ccc(-c2c3ccccc3c(N(c3ccccc3)c3cnc4cc5ncccc5cc4c3)c3ncccc23)cc1

N-phenyl-N-(5-phenylbenzo[g]quinolin-10-yl)pyrido[3,2-g]quinolin-3-amine

CC(C#N)=C(C)C(C)C

2,3,4-trimethylpent-2-enenitrile

C[C@@]12C[C@H](OCc3ccccc3Cl)[C@@]3(C)C[C@H]1CC[C@H]2O3

(1R,3R,6R,7R,9S)-9-[(2-chlorophenyl)methoxy]-1,7-dimethyl-2-oxatricyclo[4.3.1.03,7]decane

N#CCn1c(COC(=O)COc2ccccc2)nc2ccccc2c1=O

[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-phenoxyacetate

CCOCCCN=C(NN)N(C)c1ccc(OC)cc1

3-amino-2-(3-ethoxypropyl)-1-(4-methoxyphenyl)-1-methylguanidine

CC/C=C\C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)NCCNC(=O)CC[C@@H](C)C1CC[C@H]2[C@@H]3[C@H](O)[C@H](CC)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

(4E,7E,10E,13E,16E,19Z)-N-[2-[[(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethyl]docosa-4,7,10,13,16,19-hexaenamide

C=C1CN(Cc2ccc(F)cc2)CCO1

4-[(4-fluorophenyl)methyl]-2-methylidenemorpholine

CCNC(=NCc1ccc(C)cc1C)NCC(O)COCC1CC1.I

1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine;hydroiodide

COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1

3-[(2E)-2-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl 3-(benzenesulfonamido)benzoate

Cc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc2c(c1)N(C)C(=O)CO2

2-chloro-N-[5-methyl-4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide

CCCNC(Cc1cn2ccsc2n1)CC1CCCCO1

1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxan-2-yl)-N-propylpropan-2-amine

CC(C)Oc1cccc(CNc2cccnc2Br)c1

2-bromo-N-[(3-propan-2-yloxyphenyl)methyl]pyridin-3-amine

CC1(C)OB(c2ccc(OC[C@H](N)CC3=CCCC=C3)cc2F)OC1(C)C

(2R)-1-cyclohexa-1,5-dien-1-yl-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propan-2-amine

N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)NC1CC1

(E)-2-cyano-N-cyclopropyl-3-(3-phenoxyphenyl)prop-2-enamide

CC(C)(O)CNc1nc(N2CCC(C)(C(N)=O)CC2)c2nc(-c3ccccc3Cl)n(-c3ccc(Cl)cc3)c2n1

1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)amino]purin-6-yl]-4-methylpiperidine-4-carboxamide

c1ccc(-c2cccc(-c3cccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5oc6ccccc6c45)c3)c2)cc1

2,4-diphenyl-6-[1-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine

CC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(-c4ccc(-c5ccccn5)nc4)c3cc21

5-[10,10-dimethyl-21-(4-phenylphenyl)-14-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]-2-pyridin-2-ylpyridine

C[C@H](OC(C)(C)C)[C@@H](NC(=O)OCc1ccccc1)C(=O)ON1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1

[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoate

CC1(CNC(=O)c2csc(CN)n2)CCCCC1O.Cl

2-(aminomethyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride

CO[C@@H]1OC(=O)C=C1Nc1cc(C)ccc1O

(2R)-3-(2-hydroxy-5-methylanilino)-2-methoxy-2H-furan-5-one

CCCCCCCCCCOc1ccc(C(=O)NCc2cccc[n+]2C)cc1OC.[I-]

4-decoxy-3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide;iodide

C[N+](C)(C)CCOP(=O)([O-])[O-].O.[Ca+2].[Cl-]

calcium;2-(trimethylazaniumyl)ethyl phosphate;chloride;hydrate

COC(=O)CC(Cc1cccs1)C(=O)OC

dimethyl 2-(thiophen-2-ylmethyl)butanedioate

CCC1CCc2c(sc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc3sc4c(c3C(=O)OC)CCC(CC)C4)c2C(=O)OC)C1

methyl 6-ethyl-2-[[4-[(6-ethyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

CCC(=O)NC[C@H](c1cccs1)S(=O)(=O)c1cc(C)ccc1C

N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]propanamide

C[C@H]1CN(C(=NC#N)c2ccccc2)CCN1C=O

[[(3S)-4-formyl-3-methylpiperazin-1-yl]-phenylmethylidene]cyanamide

COc1ccc(C(=O)c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)cc1OC

2-(3,4-dimethoxybenzoyl)-6-nitro-3H-quinazolin-4-one

CCCCCCCCCCCCCC/C=C/C(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

5-acetamido-2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-2-(octatriacontanoylamino)nonadec-4-enoxy]oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Cn1[nH]c(-c2cc(F)c(F)c(F)c2)nc1=S

2-methyl-5-(3,4,5-trifluorophenyl)-1H-1,2,4-triazole-3-thione

Cl.NCC1CCN(C(=O)CCC2CCCC2)CC1

1-[4-(aminomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride

Cc1cc([N+](=O)[O-])ccc1NCc1ccc(CS(C)(=O)=O)cc1

2-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-4-nitroaniline

CCCNC1COCC1C(=O)N1CCCCC1

piperidin-1-yl-[4-(propylamino)oxolan-3-yl]methanone

C(=C\c1ccccc1)\CN1CCN(c2ncnc3c2cnn3Cc2ccccc2)CC1

1-benzyl-4-[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine

CCCNC(CS(=O)c1ccc(C)cc1)C(C)(C)C

3,3-dimethyl-1-(4-methylphenyl)sulfinyl-N-propylbutan-2-amine

COc1ccc(C2(CNC(=O)C(=O)Nc3ccc(C(C)C)cc3)CCCC2)cc1

N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-N'-(4-propan-2-ylphenyl)oxamide

C=CC(=O)c1ccc([N+](=O)[O-])cc1Br

1-(2-bromo-4-nitrophenyl)prop-2-en-1-one

CCCOc1ccc(CNC(=S)NC(=O)c2ccccc2OCC(C)C)cc1OC

N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-(2-methylpropoxy)benzamide

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NC(CC(C)C)C(=O)ON

amino 2-[[(Z)-docos-13-enoyl]amino]-4-methylpentanoate