分子の幾何学的配置を調整して最低エネルギー配置を見つける過程です
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N-(2-methoxyphenyl)-2-mercaptoimidazole
4-(3-AMINOPROP-1-YL)AMINOQUINOLINE
4-fluoro-2-(methoxycarbonylmethyl)benzenesulfonamide
(2R,4R,6R,8R)-2,4,6,8-テトラメチル-1-オクタコサノール
3-(4-chlorophenyl)-1-(4-nitrophenyl)-1H-pyrazole-4-carbaldehyde
1-((2S,3S,5R,6R)-4-Acetyl-2,3-diisopropyl-5,6-diphenyl-piperazin-1-yl)-ethanone
1-(6-carboxymethyl-2-ethylphenyl)pyrrole-2-carboxylic acid
3-(2-chloro-4-hydroxyphenylethynyl)-2-methylcyclohex-2-enone
1H-Imidazole, 2-ethyl-4,5-dihydro-4,5-diphenyl-, (4R,5R)-
Methyl (Z)-2-(phenylselanylcarbonylethyl)cyclohexylideneacetate
2'-((4-nitrophenyl)carbamoyl)-[1,1'-biphenyl]-2-carboxylic acid
(3R,6S)-3-Benzyl-1-((R)-2-hydroxy-1-phenyl-ethyl)-6-methyl-piperidin-2-one
1-Propanone, 3-(3-aminophenyl)-1-(2-hydroxy-5-methoxyphenyl)-
()-2-amino-4-methylvaleramide
N-(4-phenoxyphenyl)-2-furamide
2-phenyl-6,7,8,9-tetrahydro-4H,5H-cyclohepta[4,5]thieno[2,3-d][1,3]oxazin-4-one
5-[(1E)-3-hydroxyprop-1-en-1-yl]-3-methoxybenzene-1,2-diol
(S)-tert-butyl 2-amino-3-(2-bromo-5-hydroxyphenyl)propanoate
tetra-N-benzyl-5,6-O-cyclohexylidene-tetra-N-methoxycarbonylneamin
(S)-1-(4-methylphenylsulfonyl)propan-2-ol
TVB-2640
(S,S)-2-amino-N-(2-hydroxy-1,2,2-triphenylethyl)propanamide
3-benzyl-3H-benzo[4,5]imidazo[2,1-i]purine
Boc-D-Lys(Cl-Z)-D-Leu-Pro-OMe
(2R,3S,5S)-5-Hydroxymethyl-2-methyl-tetrahydro-furan-3-ol
3-Heptanone, 1,7-bis(4-hydroxy-3-methoxyphenyl)-
Boc-Pro-Lys(Z)-Pro-OCH3
)
(3aS,8aR)-3-((E)-(2S,3R)-3-Hydroxy-2-methyl-5-phenyl-pent-4-enoyl)-3,3a,8,8a-tetrahydro-indeno[1,2-d]oxazol-2-one
(R)-3-[(4R,6S)-6-(2-Benzyloxy-ethyl)-2,2-dimethyl-[1,3]dioxan-4-yl]-1-{(4R,6R)-6-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-2,2-dimethyl-[1,3]dioxan-4-yl}-propan-1-ol
trans-1-hydroxy-4-benzyltetralin
C29H25O2P
tert-butyl (S)-3-((5-bromo-2-chloropyrimidin-4-yl)amino)piperidine-1-carboxylate
bis(benzonitrile)palladium(II) dichloride
2,6-bis((4-hexylphenyl)ethynylene)benzo[1,2-b:4,5-b']dithiophene
トルエン
2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-8-methyl-4-phenyl-
HCl
(2R,3R,11R,12R)-3,12-Bis-phenylcarbamoyl-1,4,7,10,13,16-hexaoxa-cyclooctadecane-2,11-dicarboxylic acid dimethyl ester
Hexanoic acid, 4-oxo-6-[[(phenylmethoxy)carbonyl]amino]-
Benzenemethanol, 3-methoxy-4-(2-propenyloxy)-
3-Nitro-2-(pyridin-2-yl)pyridine
(4aR,6S,7S,8S,8aR)-6-allyl-8-(benzyloxy)-2,2-di-tert-butyl-7-methylhexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
trans-cinnamic pivalic anhydride
4-(4-{[(9H-fluoren-9-ylmethoxycarbonyl)prop-2-ynylamino]methyl}-3,5-dimethoxyphenoxy)butyric acid
(-)-Benzal-α-phenyl-ethylamin
(2,3,4-trimethoxy-phenyl)-glyoxylic acid
N-(4-BroMo-phenyl)-benzene-1,2-diaMine
4(13),8-コロラタジエノリド
C17H17BrCl2N2
2-phenyl-6-(3-phenylpropyl)pyridine