the use of computational methods to study the structure and properties of molecules.
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N-(2-methoxyphenyl)-2-mercaptoimidazole
1-phenylacetyl-4-[2-(tert-butoxycarbonylamino)acetyl]piperazine
4-((1-hydroxy-5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1H-imidazol-2-yl)methyl)benzonitrile
TVB-2640
Ethanone, 2-(6-amino-9H-purin-9-yl)-1-phenyl-
(Z)-5-(4-benzyloxyphenyl)methylidene-2-thioxo-4-thiazolidinone
2-amino-4-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Benzene, 1-methyl-4-nitro-2-(2-propenyloxy)-
4-isoxazolecarboxamide, 5-amino-3-(3-chlorophenyl)-
2-(2-bromo-4-chlorophenoxy)-3-phenylpropanoic acid
acetamide, N-(4-tricyclo[3.3.1.1~3,7~]dec-1-ylphenyl)-
2-(carboxymethyl)-5-{[(3-nitrophenyl)carbonyl]amino}benzoic acid
3-amino-2-[[4-phenylpiperazin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[2,3-d]pyrimidin-4(3H)-one
(4-isobutylphenyl)acetonitrile
N-[4-(imidazo[1,2-b]pyridazin-6-yloxy)phenyl]-N'-phenylurea
5-chloro-N4-methyl-N2-phenylpyrimidine-2,4-diamine
2,3-diphenylimidazo[1,2-a]pyrimidine
1H-Imidazole-1-carboxylic acid, 3-phenylpropyl ester
2-[(3,4-Dimethyl-phenylamino)-methylene]-malononitrile
3-(2-chlorophenyl)pentanedioic acid
3-[[(2-chlorobenzyl)-methyl-amino]methyl]-5-(pyridin-4-yl)-1,3,4-oxadiazol-2(3H)-one
methyl 2-[(2E)-(2-(3,4-dimethoxyphenyl)-3-(2,4,5-trimethoxyphenyl))prop-2-enoyl]hydrazinecarboxylate
2-(acetamido)-4-bromo-5-methoxybenzoic acid
[2-(5-Benzyloxy-1-hydroxymethyl-8-methyl-1,6-dihydro-2H-pyrrolo[3,2-e]indole-3-carbonyl)-1H-indol-5-yl]-urea
C25H24N4O
methyl 2,3,6-tri-O-benzyl-β-D-glucopyranosyl-(1->4)-2,3,6-tri-O-benzyl-β-D-glucopyranoside
diethyl 2,2-bis(4-tert-butylbenzyl)malonate
1-benzyloxy-5-hexadecanol
N-(6-methoxyquinolin-8-yl)butane-1,4-diamine
2-[2-(4-phenylpiperazin-1-yl)acetylamino]benzothiazole
(3aRS,4RS,5RS,7RS,7aRS)-(±)-octahydro-1H-4,7-methanoinden-5-yl 4-nitrobenzoate
Morpholine, 2-(chloromethyl)-4-[(4-chlorophenyl)methyl]-
4-(3-fluorophenylazo)-3-fluoro phenol
methyl (1R,3R)-1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylate
Benzenebutanol, 2-methoxy-
