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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	CID 24862704 - C/C=C(/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)\C2=C(C(=O)N3CCC4=C(C3=C2)NC5=CC=CC=C45)CO	C₂₆H₃₀N₂O₈	498.5
-	(2S)-N-[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethyl]-6-hydroxy-1-[2-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide - C1CC(CC2C1C[C@H](N2C(=O)C(CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CC=CC=C4)O)C(=O)NCCC5=CCN(C5)C(=N)N)O	C₃₄H₄₄N₆O₅	616.7
-	TG(i-18:0/i-18:0/i-21:0) - CC(C)CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C	C₆₀H₁₁₆O₆	933.6
-	2,3-Dibromo-3-[3-(2-carboxyethenyl)phenyl]prop-2-enoic acid - C1=CC(=CC(=C1)C(=C(C(=O)O)Br)Br)C=CC(=O)O	C₁₂H₈BR₂O₄	376.00
-	propyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate - CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN(C)C)O)C	C₂₃H₂₅NO₆	411.4
-	(1S,2R,5R,6S,7S)-3-benzyl-2-N-[(1S,2R)-2-methylcyclohexyl]-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide - C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]2[C@@]34C=C[C@H](O3)[C@H]([C@H]4C(=O)N2CC5=CC=CC=C5)C(=O)NC6=CC=C(C=C6)C(C)C	C₃₃H₃₉N₃O₄	541.7
-	12-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]imino-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1,6,8,11(19),13(18),14,16-heptaen-9-ol - COC1=CC=CC2=C1C(=NC3=C4C(=NC=N3)N(C=N4)[C@H]5C[C@@H]([C@H](O5)CO)O)C6=C7C2=C8C(=CC7=C(N6)O)OCO8	C₂₇H₂₂N₆O₇	542.5
-	N-[(4R)-2,2-dimethyloxan-4-yl]-3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanamide - CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CCC(=O)N[C@@H]3CCOC(C3)(C)C	C₂₄H₃₁NO₅	413.5
2175-91-9	1,3-Cyclopentadiene, 5-(1-methylethylidene)- - CC(=C1C=CC=C1)C	C₈H₁₀	106.16
-	2-[(3S)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carbonitrile - CN1CC[C@@H](C1)C2=NC3=C(N2)C=C(C=C3)C#N	C₁₃H₁₄N₄	226.28