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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(3R,8R,9S,10R,13S,14R,17S)-3-methoxy-10,13-dimethyl-17-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol - C[C@]12CC[C@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@]4(CSC5=NC=CN5C)O)C)OC	C₂₅H₃₈N₂O₂S	430.6
-	6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile - CN1CCN(CC1)CCN2C=NC3=C(N=C(N=C32)C#N)NC4CCCCC4	C₁₉H₂₈N₈	368.5
-	9-cyclopropyl-3-(4-methoxyphenyl)-9,10-dihydrochromeno[8,7-e][1,3]oxazin-2(8H)-one - COC1=CC=C(C=C1)C2=CC3=C(C4=C(C=C3)OCN(C4)C5CC5)OC2=O	C₂₁H₁₉NO₄	349.4
-	4-[[(3R,4R)-4-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]azepan-1-yl]methyl]benzoic acid - C1C[C@H]([C@@H](CN(C1)CC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O	C₂₈H₃₀N₂O₅	474.5
-	Octadec-15-enoic acid - CCC=CCCCCCCCCCCCCCC(=O)O	C₁₈H₃₄O₂	282.5
-	[(8S,9R,10R,13S,14S,17R)-4-chloro-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate - CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CCC4=C(C(=O)CC[C@]34C)Cl)C	C₂₁H₂₉ClO₃	364.9
-	(Z,2R)-2-methyl-4-oxo-6-[(3S,5S,7S,10S,13R,14R,15S,17R)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid - C[C@H](CC(=O)/C=C(/C)\[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C)O)C(=O)O	C₃₀H₄₄O₇	516.7
-	methyl (4R,12S,13R,14S,19R,21S)-11-acetyl-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,7,9,17-tetraene-14-carboxylate - CC(=O)N1[C@H]2[C@H]3[C@H]4C[C@H]5[C@@]2(CCN5CC4=CCO[C@@H]3C(=O)OC)C6=CC=CC=C61	C₂₃H₂₆N₂O₄	394.5
-	[11-Hydroxy-7-(hydroxymethyl)-4-(4-methoxy-3,4-dimethylpentyl)-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl] 3-methylbut-2-enoate - CC(CCC1(CC=C(C(=O)C=CC(C(C=C1)OC(=O)C=C(C)C)(C)O)CO)C)C(C)(C)OC	C₂₇H₄₂O₆	462.6
-	N-[2-(2-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-2,2-dimethylpropanamide - CC(C)(C)C(=O)NC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3OC	C₂₁H₂₁NO₄	351.4