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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	N-[4-amino-1-[[(2S,3R)-3-hydroxy-1-[[3-hydroxy-1-oxo-1-[[(3S,12S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis[(1R)-1-hydroxyethyl]-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]propan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide - CCC(C)CCCCC(=O)NC(CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)NC(CO)C(=O)NC1CCNC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC1=O)CCN)CC2=CC=CC=C2)[C@@H](C)O)CCN)CCN)[C@@H](C)O	C₅₃H₉₁N₁₅O₁₅	1178.4
-	5,21-Dichloro-14-hydroxy-23-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one - C1=CC2=C(C(=C1)Cl)NC3=C4C(=C5C(NC(=O)C5=C23)O)C6=C(N4C7C(C(C(C(O7)CO)O)O)O)C(=CC=C6)Cl	C₂₆H₂₁Cl₂N₃O₇	558.4
-	2-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole - COC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)CC4=CNC5=CC=CC=C54	C₂₁H₂₂N₄O	346.4
-	(3R)-2,4-dioxo-1-prop-2-enylquinoline-3-carboxylic acid - C=CCN1C2=CC=CC=C2C(=O)[C@H](C1=O)C(=O)O	C₁₃H₁₁NO₄	245.23
-	2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ol - CC1CCC(CC2=C1C=CC(=N2)C)O	C₁₂H₁₇NO	191.27
-	(3R)-N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide - C1[C@H](N2C(S1)C3=CC=CC=C3C2=O)C(=O)NCC4=CC5=C(C=C4)OCO5	C₁₉H₁₆N₂O₄S	368.4
-	(1R,4S,5R,9S,10R,13R,15S)-5,9-dimethyl-15-(3-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid - CC(=CC(=O)O[C@H]1C(=C)[C@@H]2CC[C@H]3[C@]1(C2)CC[C@H]4[C@]3(CCC[C@@]4(C)C(=O)O)C)C	C₂₅H₃₆O₄	400.5
-	(1aR,4R,4aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[h]azulen-4a-ol - C[C@@H]1CC[C@@]2([C@@H]1[C@H]3[C@H](C3(C)C)CC[C@H]2C)O	C₁₅H₂₆O	222.37
-	(1R)-3-methyl-1-phenylinden-1-ol - CC1=C[C@](C2=CC=CC=C12)(C3=CC=CC=C3)O	C₁₆H₁₄O	222.28
-	Cmnpd15020 - CCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC2[C@@H]([C@H](C([C@H]([C@@H]2OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)CCCCCCCCCC(C)CCCCCC	C₆₁H₁₀₂O₂₀	1155.4