AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-23

SMILES stringlengths 2 1.03k	IUPAC stringlengths 6 1.69k
CNC(=O)C1CCN(CCS(=O)(=O)c2ccccc2)CC1	1-[2-(benzenesulfonyl)ethyl]-N-methylpiperidine-4-carboxamide
CC[C@@H](C)NC(=O)N1CCC(c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1	N-(1,3-benzodioxol-5-yl)-5-[1-[[(2R)-butan-2-yl]carbamoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CCc1ccc(C(=O)Nc2cccc(C(N)=S)c2)s1	N-(3-carbamothioylphenyl)-5-ethylthiophene-2-carboxamide
CNC(=O)NC1CCc2c1cn(SI)c2C(=O)Nc1ccc(F)c(Cl)c1	[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-(methylcarbamoylamino)-5,6-dihydro-4H-cyclopenta[c]pyrrol-2-yl] thiohypoiodite
CCc1ccccc1SC(NC(CC)c1ccccc1)=C(C)C	1-(2-ethylphenyl)sulfanyl-2-methyl-N-(1-phenylpropyl)prop-1-en-1-amine
CCS(=O)(=O)Nc1ccc([C@@H](C)Nc2cccc(C)n2)cc1	N-[4-[(1R)-1-[(6-methylpyridin-2-yl)amino]ethyl]phenyl]ethanesulfonamide
CC(C)N(CCCN=C(N)N1CCCCC1)C(C)C.I	N'-[3-[di(propan-2-yl)amino]propyl]piperidine-1-carboximidamide;hydroiodide
CCCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(CC)cc2)cc1C	(4E,5R)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(4-ethylphenyl)pyrrolidine-2,3-dione
O=C(NCCC(=O)N1CCN(C(=O)c2ccccc2I)CC1)c1ccsc1	N-[3-[4-(2-iodobenzoyl)piperazin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CC.FC1(F)CC2=C(C=CCC=C2)O1	2,2-difluoro-3,6-dihydrocyclohepta[b]furan;ethane
O=S(=O)(Oc1cccc2cccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)c12)C(F)(F)F	[8-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)naphthalen-1-yl] trifluoromethanesulfonate
CC(CN)C(=O)Nc1nc2cc(F)ccc2n1C.Cl	3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylpropanamide;hydrochloride
CCCCCC.CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]	calcium;hexane;octadecanoate
CC1CN(C(=O)C(CN)c2ccccc2)CCO1.Cl	3-amino-1-(2-methylmorpholin-4-yl)-2-phenylpropan-1-one;hydrochloride
CC1Oc2cc(C(=O)O)ccc2N(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O	4-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-methyl-3-oxo-1,4-benzoxazine-7-carboxylic acid
CC(C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)c1ccco1	N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
O=C(c1ccc(F)cc1Cl)N1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1	(2-chloro-4-fluorophenyl)-[4-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]methanone
CCCc1c(S(=O)(=O)N[C@@H]2CCCCNC2=O)ccc(OC)c1-c1ccccc1	4-methoxy-N-[(3R)-2-oxoazepan-3-yl]-3-phenyl-2-propylbenzenesulfonamide
CCS(=O)(=O)CCNCCCCCCl	5-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine
C=C(C)CCC(NCCC)c1ccc(C(C)C)cc1	4-methyl-1-(4-propan-2-ylphenyl)-N-propylpent-4-en-1-amine
CCN(CC)CCCN1CCCN(C(=O)COC)CC1.Cc1cc(C)c(S(=O)(=O)N2CCCC2)c(C)c1	1-[4-[3-(diethylamino)propyl]-1,4-diazepan-1-yl]-2-methoxyethanone;1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
Cc1ccc(N)c(N)c1C[C@@H]1CCCN1C	4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzene-1,2-diamine
CC(CO)CSCC(=O)c1ccccc1Br	1-(2-bromophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylethanone
CCCC(=O)c1cn(CC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@]23C)nn1.CCO.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Cn4cc(C#N)nn4)CC[C@@H]32)C1.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Cn4cc(C(=O)O)nn4)CC[C@@H]32)C1.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Cn4cc(C(N)=O)nn4)CC[C@@H]32)C1	ethanol;1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]triazole-4-carbonitrile;1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]triazole-4-carboxamide;1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]triazole-4-carboxylic acid;1-[1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]triazol-4-yl]butan-1-one
CC1(C)CC2(CC(C)(C)c3cc(O)c(O)c(O)c32)c2c1cc(O)c(O)c2O.[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)O)C1=O	6-diazo-5-oxonaphthalene-1-sulfonic acid;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccncc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O	N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide
O=S1CCN(Cc2cc(C#CCO)cs2)CC1	3-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol
COc1c(Cl)cc(C(=O)Nc2sc3c(c2C(=O)NCC2CCCO2)CCCC3)cc1Cl	2-[(3,5-dichloro-4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CCNC(=O)CC[C@H](N)C(=O)OC(C)N	1-aminoethyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate
CCc1ccc(S(=O)(=O)Nc2ccc(C#CCO)cc2)s1	5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide
CNc1ncnc(Nc2cc(F)cc(F)c2)c1C	4-N-(3,5-difluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
C[C@H](Sc1nnc(Cc2ccc(F)cc2)n1N)C(=O)Nc1ccc2c(c1)CCC2	(2S)-2-[[4-amino-5-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CCCCCC[Si]1(/C=C/c2ccccc2)CCCCO1	2-hexyl-2-[(E)-2-phenylethenyl]oxasilinane
CC.CC.CC.CO.N=C(c1cccnc1)c1cccnc1	dipyridin-3-ylmethanimine;ethane;methanol
CC1(C)C2CCC1(C=C1CC=CC=C1Cc1ccccc1)C(=O)C2	1-[(2-benzylcyclohexa-2,4-dien-1-ylidene)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
C[N+](C)(C)Cc1cc[cH-]c1.[Cl-].[Fe+2].c1cc[cH-]c1	cyclopenta-1,3-diene;cyclopenta-1,4-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride
Cc1ccc(N2C(=O)C(Nc3ccc4c(c3)OCO4)=C(c3cccs3)C2=O)cc1C	3-(1,3-benzodioxol-5-ylamino)-1-(3,4-dimethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CC1CSCC1NC1CCC2(CC1)OCCO2	N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CN(Cc1ccc(F)cc1)CC1(CC(N)=NO)CC1	2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CN1CCNCC1c1cnc2c(O)cccc2c1	3-(1-methylpiperazin-2-yl)quinolin-8-ol
COc1cc(CNCc2cccc(NC(=O)c3ccncc3)c2)ccc1C	N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]pyridine-4-carboxamide
CCCNC(=O)C(C)NCc1cc(C(=O)OC)co1	methyl 5-[[[1-oxo-1-(propylamino)propan-2-yl]amino]methyl]furan-3-carboxylate
CCCCc1ccc(-c2csc(-n3[nH]c(C)c(N=Nc4ccc(I)cc4C)c3=O)n2)cc1	2-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-[(4-iodo-2-methylphenyl)diazenyl]-5-methyl-1H-pyrazol-3-one
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cn1	N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-methoxypyridine-3-carboxamide
CCCCOC(=O)C(C)CC(C)(CC)C(=O)NC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1	butyl 4-[[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2,4-dimethylhexanoate
CC[Si](CC)(CC)O[C@@H](CC#CC(=O)CCC[C@@H](O)CO)COCc1ccccc1	(2S,10R)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one
CC(C)(C)OC(=O)N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cnccn4)c23)C1	tert-butyl N-[(3R)-1-[5-bromo-3-(pyrazine-2-carbonylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]carbamate
CCCCCCCC1CCC(c2ccc(C(=O)OCC(F)F)cc2)CC1	2,2-difluoroethyl 4-(4-heptylcyclohexyl)benzoate
CC(=O)Oc1ccc(OC(C)=O)c(OS(=O)O)c1	(4-acetyloxy-3-sulfinooxyphenyl) acetate
C=CCOc1cc(F)c(C(=O)Oc2ccc3c(F)c(C=C(F)F)c(F)cc3c2)c(F)c1	[6-(2,2-difluoroethenyl)-5,7-difluoronaphthalen-2-yl] 2,6-difluoro-4-prop-2-enoxybenzoate
CCCn1cc(S(=O)(=O)N(CCOC)C2CC2)c(N)n1	3-amino-N-cyclopropyl-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide
Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1	(3R)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CC(C)CC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(CN(C)C)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(CN3CCCC3)cc2n1Cc1ccccc1.CCCC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CCCCC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1	1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one
COc1ccc(CCN(C)CCCS(=O)(=O)N(c2cc(Cl)cc(Cl)c2)C(C)C)cc1OC	N-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-propan-2-ylpropane-1-sulfonamide
C=CCn1cc(C)nc1NC(C)CCCN(CC)CC	1-N,1-N-diethyl-4-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pentane-1,4-diamine
Cl.N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)C(F)(F)F	(1S)-1-[4-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
Cl.N[C@@H]1CCN(C(=O)C2(Cc3ccccc3)CC2)C1	[(3R)-3-aminopyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone;hydrochloride
CC(NCC(O)C1CC1)C(C)(C)O	3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylbutan-2-ol
COc1ccc(CCNC(=O)NCc2cccc(Cn3ccnc3)c2)cc1OC	1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea
Cc1cccc(C(=O)NC(C)C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1	3-methyl-N-[1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propan-2-yl]benzamide
Cc1ccc(-c2nnc(C(C)C)s2)c(F)c1	2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole
Cc1cnccc1-c1[nH]c(C(C)C)nc(=S)c1C	5-methyl-6-(3-methylpyridin-4-yl)-2-propan-2-yl-1H-pyrimidine-4-thione
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)cc1	2,3-dihydro-1H-inden-5-yl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CCC(CC)n1c(Cc2cccs2)nc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21	N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CC(=O)S[C@@H](Cc1ccc2c(c1)OCO2)C(=O)NC1CCCN2CCC[C@@H](C(=O)O)N2C1=O	(4S)-7-[[(2S)-2-acetylsulfanyl-3-(1,3-benzodioxol-5-yl)propanoyl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid
Cc1cc(-c2nnc3c4ccccc4c(OCc4ncn[nH]4)nn23)no1	5-methyl-3-[6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
CCC(N)Cc1ccc(OCC2CCCC2)c(Cl)c1	1-[3-chloro-4-(cyclopentylmethoxy)phenyl]butan-2-amine
Cc1ccc(F)c(C(=O)N2CC3CCCN(CC4CC4)C3C2)c1	[1-(cyclopropylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-(2-fluoro-5-methylphenyl)methanone
CC(C)=C(C)C.CC(C)=O.CC(C)=S.CN=C(C)C.C[C-](C)C.C[C-]=C(C)C.C[C-]=C(C)C.[Y].[Y].[Y]	2,3-dimethylbut-2-ene;2-methylbut-2-ene;2-methylpropane;N-methylpropan-2-imine;propane-2-thione;propan-2-one;yttrium
CC(=O)Nc1ccc(F)c(C(=O)NC(C)c2ccc(C(C)(C)C)cc2)c1	5-acetamido-N-[1-(4-tert-butylphenyl)ethyl]-2-fluorobenzamide
S=C(NCc1ccccc1)Nc1ccc2c(c1)OCCCO2	1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea
O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1cc(Cl)ccc1Cl	[2-(2,5-dichloroanilino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CCOC(=O)c1cc(NC(=O)c2ccccc2C)c(=O)oc1C	ethyl 2-methyl-5-[(2-methylbenzoyl)amino]-6-oxopyran-3-carboxylate
Cc1ccc(CC(=O)N2CCN(C(C)(C)C)CC2)cc1	1-(4-tert-butylpiperazin-1-yl)-2-(4-methylphenyl)ethanone
COc1ccccc1-c1nc(N(C)C)c2cc(C)ccc2n1	2-(2-methoxyphenyl)-N,N,6-trimethylquinazolin-4-amine
C=CCN[C@](C(=O)OC(C)(C)C)(c1ccccc1)c1ccc([N+](=O)[O-])cc1	tert-butyl (2R)-2-(4-nitrophenyl)-2-phenyl-2-(prop-2-enylamino)acetate
Cc1cnc2c(c1)N(C(=O)Cc1cccs1)CCO2	1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-thiophen-2-ylethanone
O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](O)c1ccco1	N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-2-(4-nitrophenyl)acetamide
CCOCCn1nnc(C(=O)OC)c1-c1ccc(Cl)cc1	methyl 5-(4-chlorophenyl)-1-(2-ethoxyethyl)triazole-4-carboxylate
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CCCN(CC(N)=O)C1	(3S)-1-(2-amino-2-oxoethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methylpiperidine-3-carboxamide
COC1CC(N=C(N)N2CCSCC2)C1(C)C.I	N'-(3-methoxy-2,2-dimethylcyclobutyl)thiomorpholine-4-carboximidamide;hydroiodide
CC(=O)C[C@H]1C[C@H]2[C@H]([C@@H]3c4[nH]c5ccccc5c4CCN13)[C@H](O)C13CC/C=C\CCCCN1CC21C2CCCCCCCN2[C@H]13	1-[(2S,4R,17R,18R,19S,21R,37Z)-19-hydroxy-5,15,22,32-tetrazanonacyclo[18.10.10.01,21.02,18.05,17.08,16.09,14.020,32.022,30]tetraconta-8(16),9,11,13,37-pentaen-4-yl]propan-2-one
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)NCCNC(=O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO)CCN(CC(=O)[O-])CC(=O)NCCNC(=O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.[Gd+3]	2-[bis[2-[carboxylatomethyl-[2-oxo-2-[2-[[(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl]amino]ethylamino]ethyl]amino]ethyl]amino]acetate;gadolinium(3+)
[O-]C(C(F)(F)F)(C(F)(F)F)C(OP1OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1)(C(F)(F)F)C(F)(F)F	1,1,1,4,4,4-hexafluoro-3-[[4,4,5,5-tetrakis(trifluoromethyl)-1,3,2-dioxaphospholan-2-yl]oxy]-2,3-bis(trifluoromethyl)butan-2-olate
COc1ccc(CC(=O)N2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)cc1	1-[(2S)-2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]-2-(4-methoxyphenyl)ethanone
C#C/C(F)=C\C=C(/C)n1cc(C2OC/C(=C\CC)N2CCc2ccc(N)cc2)c(-c2ccoc2)n1	4-[2-[(4E)-2-[1-[(2E,4E)-5-fluorohepta-2,4-dien-6-yn-2-yl]-3-(furan-3-yl)pyrazol-4-yl]-4-propylidene-1,3-oxazolidin-3-yl]ethyl]aniline
CC.COC(=O)CCCCCCC1C(CCC(O)CNc2cccc(C)c2)[C@H](O)C[C@@H]1O	ethane;methyl 7-[(3R,5S)-3,5-dihydroxy-2-[3-hydroxy-4-(3-methylanilino)butyl]cyclopentyl]heptanoate
CCc1nc(N)nc(N)c1-c1ccc(N(Cc2ccc(Cl)cc2)N=O)cc1	N-[(4-chlorophenyl)methyl]-N-[4-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]nitrous amide
Cc1cc(=O)[nH]c(Sc2ccc(C(N)=NO)cc2Cl)n1	3-chloro-N'-hydroxy-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzenecarboximidamide
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O	4-chloro-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide
CC(CCN)C(=O)N1CCC(C(=O)NCCCO)CC1	1-(4-amino-2-methylbutanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
COc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4c(C)noc4C)C3)C2)cc1	(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CC(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c(NC(=O)CNC=O)c1	2-formamido-N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenyl]acetamide
CC(OC(=O)CCn1c(=O)oc2ccccc21)C(=O)NCc1ccc(Cl)cc1	[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CCCCCCCCC(O)CCCCCCCCC(=O)OCC(CC)(CO)CO	2,2-bis(hydroxymethyl)butyl 10-hydroxyoctadecanoate
c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5cnccc54)c(-c4nc5ccccc5o4)c(-n4c5ccccc5c5cnccc54)c(-n4c5ccccc5c5cnccc54)c3-n3c4ccccc4c4cnccc43)n2)cc1	2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)phenyl]-1,3-benzoxazole
CC1(C)c2cc(N(c3ccccc3)c3ccc(Oc4ccccc4)cc3)ccc2-c2cc3oc4ccccc4c(=O)c3cc21	10,10-dimethyl-7-(N-(4-phenoxyphenyl)anilino)-21-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-14-one
CCC(CC)(CNC(=O)Cn1cccc(C(F)(F)F)c1=O)NC(C)c1ccccc1	N-[2-ethyl-2-(1-phenylethylamino)butyl]-2-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetamide
CC[N+]1(C(=O)O)CCCc2cc3c(c(C)c21)CCN(C(=O)OC(C)(C)C)CC3	1-ethyl-11-methyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,7,9,10-hexahydro-2H-pyrido[3,2-h][3]benzazepin-1-ium-1-carboxylic acid
COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C1CCC3(CC1)COC3)C2.COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C1CCCOC1)C2.COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C1CN(C(C)=O)C1)C2.COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN([C@H]1CCCOC1)C2	4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide

CNC(=O)C1CCN(CCS(=O)(=O)c2ccccc2)CC1

1-[2-(benzenesulfonyl)ethyl]-N-methylpiperidine-4-carboxamide

CC[C@@H](C)NC(=O)N1CCC(c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1

N-(1,3-benzodioxol-5-yl)-5-[1-[[(2R)-butan-2-yl]carbamoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide

CCc1ccc(C(=O)Nc2cccc(C(N)=S)c2)s1

N-(3-carbamothioylphenyl)-5-ethylthiophene-2-carboxamide

CNC(=O)NC1CCc2c1cn(SI)c2C(=O)Nc1ccc(F)c(Cl)c1

[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-(methylcarbamoylamino)-5,6-dihydro-4H-cyclopenta[c]pyrrol-2-yl] thiohypoiodite

CCc1ccccc1SC(NC(CC)c1ccccc1)=C(C)C

1-(2-ethylphenyl)sulfanyl-2-methyl-N-(1-phenylpropyl)prop-1-en-1-amine

CCS(=O)(=O)Nc1ccc([C@@H](C)Nc2cccc(C)n2)cc1

N-[4-[(1R)-1-[(6-methylpyridin-2-yl)amino]ethyl]phenyl]ethanesulfonamide

CC(C)N(CCCN=C(N)N1CCCCC1)C(C)C.I

N'-[3-[di(propan-2-yl)amino]propyl]piperidine-1-carboximidamide;hydroiodide

CCCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(CC)cc2)cc1C

(4E,5R)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(4-ethylphenyl)pyrrolidine-2,3-dione

O=C(NCCC(=O)N1CCN(C(=O)c2ccccc2I)CC1)c1ccsc1

N-[3-[4-(2-iodobenzoyl)piperazin-1-yl]-3-oxopropyl]thiophene-3-carboxamide

CC.FC1(F)CC2=C(C=CCC=C2)O1

2,2-difluoro-3,6-dihydrocyclohepta[b]furan;ethane

O=S(=O)(Oc1cccc2cccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)c12)C(F)(F)F

[8-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)naphthalen-1-yl] trifluoromethanesulfonate

CC(CN)C(=O)Nc1nc2cc(F)ccc2n1C.Cl

3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylpropanamide;hydrochloride

CCCCCC.CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]

calcium;hexane;octadecanoate

CC1CN(C(=O)C(CN)c2ccccc2)CCO1.Cl

3-amino-1-(2-methylmorpholin-4-yl)-2-phenylpropan-1-one;hydrochloride

CC1Oc2cc(C(=O)O)ccc2N(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O

4-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-methyl-3-oxo-1,4-benzoxazine-7-carboxylic acid

CC(C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)c1ccco1

N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propan-2-ylfuran-2-carboxamide

O=C(c1ccc(F)cc1Cl)N1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1

(2-chloro-4-fluorophenyl)-[4-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]methanone

CCCc1c(S(=O)(=O)N[C@@H]2CCCCNC2=O)ccc(OC)c1-c1ccccc1

4-methoxy-N-[(3R)-2-oxoazepan-3-yl]-3-phenyl-2-propylbenzenesulfonamide

CCS(=O)(=O)CCNCCCCCCl

5-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine

C=C(C)CCC(NCCC)c1ccc(C(C)C)cc1

4-methyl-1-(4-propan-2-ylphenyl)-N-propylpent-4-en-1-amine

CCN(CC)CCCN1CCCN(C(=O)COC)CC1.Cc1cc(C)c(S(=O)(=O)N2CCCC2)c(C)c1

1-[4-[3-(diethylamino)propyl]-1,4-diazepan-1-yl]-2-methoxyethanone;1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine

Cc1ccc(N)c(N)c1C[C@@H]1CCCN1C

4-methyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzene-1,2-diamine

CC(CO)CSCC(=O)c1ccccc1Br

1-(2-bromophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylethanone

CCCC(=O)c1cn(CC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@]23C)nn1.CCO.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Cn4cc(C#N)nn4)CC[C@@H]32)C1.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Cn4cc(C(=O)O)nn4)CC[C@@H]32)C1.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Cn4cc(C(N)=O)nn4)CC[C@@H]32)C1

ethanol;1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]triazole-4-carbonitrile;1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]triazole-4-carboxamide;1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]triazole-4-carboxylic acid;1-[1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]triazol-4-yl]butan-1-one

CC1(C)CC2(CC(C)(C)c3cc(O)c(O)c(O)c32)c2c1cc(O)c(O)c2O.[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)O)C1=O

6-diazo-5-oxonaphthalene-1-sulfonic acid;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol

C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccncc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O

N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide

O=S1CCN(Cc2cc(C#CCO)cs2)CC1

3-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol

COc1c(Cl)cc(C(=O)Nc2sc3c(c2C(=O)NCC2CCCO2)CCCC3)cc1Cl

2-[(3,5-dichloro-4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

CCNC(=O)CC[C@H](N)C(=O)OC(C)N

1-aminoethyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate

CCc1ccc(S(=O)(=O)Nc2ccc(C#CCO)cc2)s1

5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide

CNc1ncnc(Nc2cc(F)cc(F)c2)c1C

4-N-(3,5-difluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine

C[C@H](Sc1nnc(Cc2ccc(F)cc2)n1N)C(=O)Nc1ccc2c(c1)CCC2

(2S)-2-[[4-amino-5-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide

CCCCCC[Si]1(/C=C/c2ccccc2)CCCCO1

2-hexyl-2-[(E)-2-phenylethenyl]oxasilinane

CC.CC.CC.CO.N=C(c1cccnc1)c1cccnc1

dipyridin-3-ylmethanimine;ethane;methanol

CC1(C)C2CCC1(C=C1CC=CC=C1Cc1ccccc1)C(=O)C2

1-[(2-benzylcyclohexa-2,4-dien-1-ylidene)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one

C[N+](C)(C)Cc1cc[cH-]c1.[Cl-].[Fe+2].c1cc[cH-]c1

cyclopenta-1,3-diene;cyclopenta-1,4-dien-1-ylmethyl(trimethyl)azanium;iron(2+);chloride

Cc1ccc(N2C(=O)C(Nc3ccc4c(c3)OCO4)=C(c3cccs3)C2=O)cc1C

3-(1,3-benzodioxol-5-ylamino)-1-(3,4-dimethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione

CC1CSCC1NC1CCC2(CC1)OCCO2

N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine

CN(Cc1ccc(F)cc1)CC1(CC(N)=NO)CC1

2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

CN1CCNCC1c1cnc2c(O)cccc2c1

3-(1-methylpiperazin-2-yl)quinolin-8-ol

COc1cc(CNCc2cccc(NC(=O)c3ccncc3)c2)ccc1C

N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]pyridine-4-carboxamide

CCCNC(=O)C(C)NCc1cc(C(=O)OC)co1

methyl 5-[[[1-oxo-1-(propylamino)propan-2-yl]amino]methyl]furan-3-carboxylate

CCCCc1ccc(-c2csc(-n3[nH]c(C)c(N=Nc4ccc(I)cc4C)c3=O)n2)cc1

2-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-[(4-iodo-2-methylphenyl)diazenyl]-5-methyl-1H-pyrazol-3-one

COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cn1

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-methoxypyridine-3-carboxamide

CCCCOC(=O)C(C)CC(C)(CC)C(=O)NC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1

butyl 4-[[1-(2,5-dichlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]-2,4-dimethylhexanoate

CC[Si](CC)(CC)O[C@@H](CC#CC(=O)CCC[C@@H](O)CO)COCc1ccccc1

(2S,10R)-10,11-dihydroxy-1-phenylmethoxy-2-triethylsilyloxyundec-4-yn-6-one

CC(C)(C)OC(=O)N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cnccn4)c23)C1

tert-butyl N-[(3R)-1-[5-bromo-3-(pyrazine-2-carbonylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]carbamate

CCCCCCCC1CCC(c2ccc(C(=O)OCC(F)F)cc2)CC1

2,2-difluoroethyl 4-(4-heptylcyclohexyl)benzoate

CC(=O)Oc1ccc(OC(C)=O)c(OS(=O)O)c1

(4-acetyloxy-3-sulfinooxyphenyl) acetate

C=CCOc1cc(F)c(C(=O)Oc2ccc3c(F)c(C=C(F)F)c(F)cc3c2)c(F)c1

[6-(2,2-difluoroethenyl)-5,7-difluoronaphthalen-2-yl] 2,6-difluoro-4-prop-2-enoxybenzoate

CCCn1cc(S(=O)(=O)N(CCOC)C2CC2)c(N)n1

3-amino-N-cyclopropyl-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide

Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1

(3R)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

CC(C)CC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(CN(C)C)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(CN3CCCC3)cc2n1Cc1ccccc1.CCCC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CCCCC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1

1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]-3-methylbutan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one

COc1ccc(CCN(C)CCCS(=O)(=O)N(c2cc(Cl)cc(Cl)c2)C(C)C)cc1OC

N-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-propan-2-ylpropane-1-sulfonamide

C=CCn1cc(C)nc1NC(C)CCCN(CC)CC

1-N,1-N-diethyl-4-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pentane-1,4-diamine

Cl.N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)C(F)(F)F

(1S)-1-[4-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride

Cl.N[C@@H]1CCN(C(=O)C2(Cc3ccccc3)CC2)C1

[(3R)-3-aminopyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone;hydrochloride

CC(NCC(O)C1CC1)C(C)(C)O

3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylbutan-2-ol

COc1ccc(CCNC(=O)NCc2cccc(Cn3ccnc3)c2)cc1OC

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea

Cc1cccc(C(=O)NC(C)C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1

3-methyl-N-[1-oxo-1-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propan-2-yl]benzamide

Cc1ccc(-c2nnc(C(C)C)s2)c(F)c1

2-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole

Cc1cnccc1-c1[nH]c(C(C)C)nc(=S)c1C

5-methyl-6-(3-methylpyridin-4-yl)-2-propan-2-yl-1H-pyrimidine-4-thione

CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)cc1

2,3-dihydro-1H-inden-5-yl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone

CCC(CC)n1c(Cc2cccs2)nc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21

N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide

CC(=O)S[C@@H](Cc1ccc2c(c1)OCO2)C(=O)NC1CCCN2CCC[C@@H](C(=O)O)N2C1=O

(4S)-7-[[(2S)-2-acetylsulfanyl-3-(1,3-benzodioxol-5-yl)propanoyl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid

Cc1cc(-c2nnc3c4ccccc4c(OCc4ncn[nH]4)nn23)no1

5-methyl-3-[6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole

CCC(N)Cc1ccc(OCC2CCCC2)c(Cl)c1

1-[3-chloro-4-(cyclopentylmethoxy)phenyl]butan-2-amine

Cc1ccc(F)c(C(=O)N2CC3CCCN(CC4CC4)C3C2)c1

[1-(cyclopropylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-(2-fluoro-5-methylphenyl)methanone

CC(C)=C(C)C.CC(C)=O.CC(C)=S.CN=C(C)C.C[C-](C)C.C[C-]=C(C)C.C[C-]=C(C)C.[Y].[Y].[Y]

2,3-dimethylbut-2-ene;2-methylbut-2-ene;2-methylpropane;N-methylpropan-2-imine;propane-2-thione;propan-2-one;yttrium

CC(=O)Nc1ccc(F)c(C(=O)NC(C)c2ccc(C(C)(C)C)cc2)c1

5-acetamido-N-[1-(4-tert-butylphenyl)ethyl]-2-fluorobenzamide

S=C(NCc1ccccc1)Nc1ccc2c(c1)OCCCO2

1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea

O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1cc(Cl)ccc1Cl

[2-(2,5-dichloroanilino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate

CCOC(=O)c1cc(NC(=O)c2ccccc2C)c(=O)oc1C

ethyl 2-methyl-5-[(2-methylbenzoyl)amino]-6-oxopyran-3-carboxylate

Cc1ccc(CC(=O)N2CCN(C(C)(C)C)CC2)cc1

1-(4-tert-butylpiperazin-1-yl)-2-(4-methylphenyl)ethanone

COc1ccccc1-c1nc(N(C)C)c2cc(C)ccc2n1

2-(2-methoxyphenyl)-N,N,6-trimethylquinazolin-4-amine

C=CCN[C@](C(=O)OC(C)(C)C)(c1ccccc1)c1ccc([N+](=O)[O-])cc1

tert-butyl (2R)-2-(4-nitrophenyl)-2-phenyl-2-(prop-2-enylamino)acetate

Cc1cnc2c(c1)N(C(=O)Cc1cccs1)CCO2

1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-thiophen-2-ylethanone

O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](O)c1ccco1

N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-2-(4-nitrophenyl)acetamide

CCOCCn1nnc(C(=O)OC)c1-c1ccc(Cl)cc1

methyl 5-(4-chlorophenyl)-1-(2-ethoxyethyl)triazole-4-carboxylate

CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CCCN(CC(N)=O)C1

(3S)-1-(2-amino-2-oxoethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methylpiperidine-3-carboxamide

COC1CC(N=C(N)N2CCSCC2)C1(C)C.I

N'-(3-methoxy-2,2-dimethylcyclobutyl)thiomorpholine-4-carboximidamide;hydroiodide

CC(=O)C[C@H]1C[C@H]2[C@H]([C@@H]3c4[nH]c5ccccc5c4CCN13)[C@H](O)C13CC/C=C\CCCCN1CC21C2CCCCCCCN2[C@H]13

1-[(2S,4R,17R,18R,19S,21R,37Z)-19-hydroxy-5,15,22,32-tetrazanonacyclo[18.10.10.01,21.02,18.05,17.08,16.09,14.020,32.022,30]tetraconta-8(16),9,11,13,37-pentaen-4-yl]propan-2-one

O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)NCCNC(=O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO)CCN(CC(=O)[O-])CC(=O)NCCNC(=O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.[Gd+3]

2-[bis[2-[carboxylatomethyl-[2-oxo-2-[2-[[(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl]amino]ethylamino]ethyl]amino]ethyl]amino]acetate;gadolinium(3+)

[O-]C(C(F)(F)F)(C(F)(F)F)C(OP1OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1)(C(F)(F)F)C(F)(F)F

1,1,1,4,4,4-hexafluoro-3-[[4,4,5,5-tetrakis(trifluoromethyl)-1,3,2-dioxaphospholan-2-yl]oxy]-2,3-bis(trifluoromethyl)butan-2-olate

COc1ccc(CC(=O)N2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)cc1

1-[(2S)-2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]-2-(4-methoxyphenyl)ethanone

C#C/C(F)=C\C=C(/C)n1cc(C2OC/C(=C\CC)N2CCc2ccc(N)cc2)c(-c2ccoc2)n1

4-[2-[(4E)-2-[1-[(2E,4E)-5-fluorohepta-2,4-dien-6-yn-2-yl]-3-(furan-3-yl)pyrazol-4-yl]-4-propylidene-1,3-oxazolidin-3-yl]ethyl]aniline

CC.COC(=O)CCCCCCC1C(CCC(O)CNc2cccc(C)c2)[C@H](O)C[C@@H]1O

ethane;methyl 7-[(3R,5S)-3,5-dihydroxy-2-[3-hydroxy-4-(3-methylanilino)butyl]cyclopentyl]heptanoate

CCc1nc(N)nc(N)c1-c1ccc(N(Cc2ccc(Cl)cc2)N=O)cc1

N-[(4-chlorophenyl)methyl]-N-[4-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]nitrous amide

Cc1cc(=O)[nH]c(Sc2ccc(C(N)=NO)cc2Cl)n1

3-chloro-N'-hydroxy-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzenecarboximidamide

C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O

4-chloro-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide

CC(CCN)C(=O)N1CCC(C(=O)NCCCO)CC1

1-(4-amino-2-methylbutanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide

COc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4c(C)noc4C)C3)C2)cc1

(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

CC(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c(NC(=O)CNC=O)c1

2-formamido-N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenyl]acetamide

CC(OC(=O)CCn1c(=O)oc2ccccc21)C(=O)NCc1ccc(Cl)cc1

[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate

CCCCCCCCC(O)CCCCCCCCC(=O)OCC(CC)(CO)CO

2,2-bis(hydroxymethyl)butyl 10-hydroxyoctadecanoate

c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5cnccc54)c(-c4nc5ccccc5o4)c(-n4c5ccccc5c5cnccc54)c(-n4c5ccccc5c5cnccc54)c3-n3c4ccccc4c4cnccc43)n2)cc1

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)phenyl]-1,3-benzoxazole

CC1(C)c2cc(N(c3ccccc3)c3ccc(Oc4ccccc4)cc3)ccc2-c2cc3oc4ccccc4c(=O)c3cc21

10,10-dimethyl-7-(N-(4-phenoxyphenyl)anilino)-21-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-14-one

CCC(CC)(CNC(=O)Cn1cccc(C(F)(F)F)c1=O)NC(C)c1ccccc1

N-[2-ethyl-2-(1-phenylethylamino)butyl]-2-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetamide

CC[N+]1(C(=O)O)CCCc2cc3c(c(C)c21)CCN(C(=O)OC(C)(C)C)CC3

1-ethyl-11-methyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,7,9,10-hexahydro-2H-pyrido[3,2-h][3]benzazepin-1-ium-1-carboxylic acid

COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C1CCC3(CC1)COC3)C2.COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C1CCCOC1)C2.COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C1CN(C(C)=O)C1)C2.COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN([C@H]1CCCOC1)C2

4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide