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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	methyl (1R,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate - CC1C(C(CC(O1)O[C@H]2CC([C@@H](C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)C(=O)OC)(CC(=O)C)O)N)O	C₂₉H₃₁NO₁₁	569.6
-	4,7,8-Trimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione - CC1=C(N(C2=NC3=C(N12)C(=O)NC(=O)N3C)C(C)C)C	C₁₃H₁₇N₅O₂	275.31
-	(2'S,3'S,15R,18S,19R)-15-[3,4-dihydroxy-5-[[(1S,5R)-5-methylcyclohex-2-en-1-yl]methoxy]phenyl]-3',8-dihydroxy-18-[(1R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl]-2'-(1H-pyrrol-2-ylmethyl)spiro[2,23-diazatetracyclo[18.3.1.03,12.06,11]tetracosa-1(23),3(12),4,6(11),7,9,20(24),21-octaene-19,1'-cyclopentane]-17-one - C[C@@H]1CC=C[C@H](C1)COC2=CC(=CC(=C2O)O)[C@@H]3CCC4=C(C=CC5=C4C=CC(=C5)O)NC6=NC=CC(=C6)[C@@]7(CC[C@@H]([C@H]7CC8=CC=CN8)O)[C@H](C(=O)C3)[C@@H](CCC9=CC(=C(C=C9)O)OC)O	C₅₅H₆₁N₃O₉	908.1
-	methyl (2R,11bS)-3,3-dimethyl-1,13-dioxo-2,4,6,7,11b,12-hexahydroisoquinolino[2,1-a]quinoline-2-carboxylate - CC1(CC2=C(C(=O)C[C@@H]3N2CCC4=CC=CC=C34)C(=O)[C@@H]1C(=O)OC)C	C₂₁H₂₃NO₄	353.4
-	3-(4-methoxyphenyl)-4-[(1R)-1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid - C[C@H](C1=C(ON=C1C2=CC=C(C=C2)OC)C(=O)O)NC(=O)C3=CC=CC=N3	C₁₉H₁₇N₃O₅	367.4
-	(6R,7S,10E)-13-[(2S)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,10-diene-6,7-diol - CC1=CC(=CC2=C1O[C@@](CC2)(C)CC/C=C(\C)/CC[C@@H]([C@@](C)(CCC=C(C)C)O)O)O	C₂₇H₄₂O₄	430.6
-	N-benzyl-5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide - C[C@@H](C1=C(C(=NO1)C2=CC=CC=C2)C(=O)N(C)CC3=CC=CC=C3)O	C₂₀H₂₀N₂O₃	336.4
-	6,7-dimethoxy-N-{3-[(3-methylbutyl)amino]-3-oxopropyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide - CC(C)CCNC(=O)CCNC(=O)N1CCC2=CC(=C(C=C2C1)OC)OC	C₂₀H₃₁N₃O₄	377.5
-	N-[(2H-1,3-Benzodioxol-5-YL)methyl]-9-[4-(propan-2-YL)benzenesulfonyl]-1,4,9-triazaspiro[5.5]undec-4-EN-5-amine - CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)C(=NCCN3)NCC4=CC5=C(C=C4)OCO5	C₂₅H₃₂N₄O₄S	484.6
-	methyl (2aS,2bR,3S,4R,6aR,7aR)-3-[2-(furan-3-yl)ethyl]-6a-hydroxy-3,4-dimethyl-2a,2b,4,5,6,7-hexahydrocyclobuta[a]indene-7a-carboxylate - C[C@@H]1CC[C@]2(C[C@]3(C=C[C@H]3[C@@H]2[C@@]1(C)CCC4=COC=C4)C(=O)OC)O	C₂₁H₂₈O₄	344.4