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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	7-(1-Hydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol - CC(CO)C1=CC2C(CCC2(C)O)C(CC1)(C)O	C₁₅H₂₆O₃	254.36
-	((3R,4S,7R)-3-(1-methyl-3-phenyl-1H-pyrazol-5-yl)quinuclidin-7-yl)methanol - CN1C(=CC(=N1)C2=CC=CC=C2)[C@H]3CN4CC[C@H]3C[C@@H]4CO	C₁₈H₂₃N₃O	297.4
-	(3-benzyl-4-methyl-2-oxochromen-7-yl) (2R)-2-(phenylmethoxycarbonylamino)pentanoate - CCC[C@H](C(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)NC(=O)OCC4=CC=CC=C4	C₃₀H₂₉NO₆	499.6
-	(1S,4R)-5-(4-oxochromene-2-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one - C1[C@H]2CN([C@H]1C(=O)O2)C(=O)C3=CC(=O)C4=CC=CC=C4O3	C₁₅H₁₁NO₅	285.25
-	(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxyethyl)-2-(4-hydroxy-3-methoxyphenyl)-2H-pyrrol-5-one - COC1=C(C=CC(=C1)[C@H]2C(=C(C(=O)N2CCO)O)C(=O)C3=CC=CO3)O	C₁₈H₁₇NO₇	359.3
-	(2R)-1'-methylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione - CN1C2=CC=CC=C2[C@@]3(C1=O)NC4=CC=CC=C4C(=O)N3	C₁₆H₁₃N₃O₂	279.29
-	(2S)-2-[(2-phenylacetyl)amino]-7-phosphonoheptanoic acid - C1=CC=C(C=C1)CC(=O)N[C@@H](CCCCCP(=O)(O)O)C(=O)O	C₁₅H₂₂NO₆P	343.31
-	propan-2-yl N-[(1R,5R,6S)-3-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-N-(propan-2-yloxycarbonylamino)carbamate - C[C@H](C(=O)N)NC(=O)C1=C[C@H]([C@@H]([C@@H](C1)O)O)N(C(=O)OC(C)C)NC(=O)OC(C)C	C₁₈H₃₀N₄O₈	430.5
-	(2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol - CN(C)C[C@@H]1[C@@H]([C@@H]([C@@H](O1)CO)O)N2CCN(CC2)C3=CC=CC=N3	C₁₇H₂₈N₄O₃	336.4
-	(2S,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14R,17S)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol - CC[C@H](/C=C/[C@@H](C)[C@@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C	C₃₅H₅₈O₆	574.8