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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	7-[(2R)-2,3-dihydroxypropyl]-1-[3-(dimethylamino)propyl]-3-methylpurine-2,6-dione - CN1C2=C(C(=O)N(C1=O)CCCN(C)C)N(C=N2)C[C@H](CO)O	C₁₄H₂₃N₅O₄	325.36
-	[(2S,3S,4aS,5R,8aS)-5-[(3S)-5-acetyloxy-3-methylpentyl]-1,1,4a,6-tetramethyl-3-[(2S,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxy-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate - C/C=C(/C)\C(=O)O[C@@H]1[C@H](C[C@@]2([C@@H](C1(C)C)CC=C([C@H]2CC[C@H](C)CCOC(=O)C)C)C)O[C@H]3[C@@H]([C@H]([C@@H](CO3)OC(=O)C)OC(=O)C)OC(=O)C	C₃₈H₅₈O₁₂	706.9
-	(3S,5R,6S,8S,9R,10S,13R,14S,15R,17R)-17-[(2R,5S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15-tetrol - C[C@H](CC[C@@H](C(C)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)OC)O)[C@H]2C[C@H]([C@@H]3[C@@]2(CC[C@H]4[C@]3(C[C@@H]([C@H]5[C@@]4(CC[C@@H](C5)O)C)O)O)C)O	C₃₃H₅₈O₉	598.8
-	(2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6R)-4,5-dimethoxy-6-[(2S,3S,4R,5R,6S)-4-methoxy-2-methyl-6-[(2R,3S)-2,3,4-trimethoxy-2-(methoxymethyl)butoxy]-5-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-4,5-dimethoxy-6-(methoxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane - C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@@H]2OC)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC)OC)OC)OC)OC[C@](COC)([C@H](COC)OC)OC)C)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC)OC)OC)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC)OC)OC)OC	C₅₃H₉₈O₂₈	1183.3
-	1-[(E,9S,11S)-11-[(1R,3R,5R,7S,8R,9R,10E,12R,13R,16E,18R,19R,21S,22R,23S,26S,27R,29R,30S,31S)-3,5,7,9,19,21,23,27,30,31-decahydroxy-29-methoxy-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-13-yl]-9-methyldodec-4-enyl]-2-methylguanidine - C[C@H]1CC[C@@H]([C@H]([C@H](C[C@H]([C@@H](/C=C/C(=O)O[C@@H]([C@@H](/C=C/[C@H]([C@@H]([C@H](C[C@@H](C[C@H](C[C@@H]2C[C@@H]([C@@H]([C@](O2)(C[C@H]1O)OC)O)O)O)O)O)C)O)C)[C@@H](C)C[C@@H](C)CCC/C=C/CCCNC(=NC)N)C)O)O)C)O	C₅₂H₉₅N₃O₁₄	986.3
-	(2S)-1-[[(1S)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]amino]-3-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-ol - C[C@@H](CCC1=CC=CC=C1)NC[C@@H](CN[C@@H](C)[C@@H]2COC3=CC=CC=C3O2)O	C₂₃H₃₂N₂O₃	384.5
-	[(1R,2S,8aR)-7-acetyl-1,8a-dimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl] acetate - C[C@H]1[C@H](CCC2=CC(=O)C(=C[C@]12C)C(=O)C)OC(=O)C	C₁₆H₂₀O₄	276.33
-	N-[(3S,5S)-1-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]thiophene-2-sulfonamide - CC1=CC=C(C=C1)C2=NOC(=N2)[C@@H]3C[C@@H](CN3C)NS(=O)(=O)C4=CC=CS4	C₁₈H₂₀N₄O₃S₂	404.5
-	(2R,3R)-3-[[(3aS,9bR)-1,2,3,3a,4,5-hexahydrocyclopenta[a]naphthalen-9b-yl]methyl]-5-hydroxy-1-[(E)-3-[4-hydroxy-3-(2H-imidazol-4-ylmethyl)phenyl]prop-2-enoyl]-6-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindole-2-carboxylic acid - C1C[C@H]2CCC3=CC=CC=C3[C@]2(C1)C[C@H]4[C@@H](N(C5=CC(=C(C=C45)O)O[C@]6([C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C(=O)/C=C/C7=CC(=C(C=C7)O)CC8=NCN=C8)C(=O)O	C₄₂H₄₅N₃O₁₂	783.8
-	N-[4-[(3S)-3-(1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]phenyl]acetamide - CC(=O)NC1=CC=C(C=C1)C(=O)N2CC[C@@H](C2)C3=NC4=CC=CC=C4O3	C₂₀H₁₉N₃O₃	349.4