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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(2'R,4R,5R,7aS,11aS)-5-hydroxy-2',8,9,11a-tetramethylspiro[7,7a,10,11-tetrahydro-5H-benzo[i][2]benzoxepine-4,1'-cyclopropane]-1,3,6-trione - C[C@@H]1C[C@]12[C@@H](C3=C(C(=O)OC2=O)[C@]4(CCC(=C([C@@H]4CC3=O)C)C)C)O	C₂₀H₂₄O₅	344.4
-	3-[(4R,7S,8aS)-7-[(3-chlorophenyl)carbamoylamino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)propanamide - C1[C@@H](CN2[C@@H]1C(=O)NC[C@H]2CCC(=O)NCC3=CN=CC=C3)NC(=O)NC4=CC(=CC=C4)Cl	C₂₃H₂₇ClN₆O₃	470.9
-	3-(1H-indol-1-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide - COC1=CC2=C(C=C1)NC=C2CCNC(=O)CCN3C=CC4=CC=CC=C43	C₂₂H₂₃N₃O₂	361.4
-	[(2S)-3-hexadecanoyloxy-2-(18-methylnonadecanoyloxy)propyl] 22-methyltricosanoate - CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C	C₆₃H₁₂₂O₆	975.6
-	N-[(2,5-dimethylphenyl)carbamoyl]-L-valine - CC1=CC(=C(C=C1)C)NC(=O)N[C@@H](C(C)C)C(=O)O	C₁₄H₂₀N₂O₃	264.32
-	[(2S)-1-hexadecanoyloxy-3-pentadecanoyloxypropan-2-yl] henicosanoate - CCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	C₅₅H₁₀₆O₆	863.4
-	[2-[(5-Bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate - CC(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=C(C=CC(=C3)Br)OC)O2	C₂₀H₁₇BRO₅	417.2
-	(1R,5S)-3-((1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one - CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CN3C[C@@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4	C₂₀H₂₁N₅O₃	379.4
-	(2S,5aS,8aR)-6-[(3-chlorophenyl)methyl]-1-methyl-2-(3-morpholin-4-yl-3-oxopropyl)-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one - CN1[C@@H]2CCN([C@@H]2C(=O)NC[C@@H]1CCC(=O)N3CCOCC3)CC4=CC(=CC=C4)Cl	C₂₂H₃₁ClN₄O₃	435.0
-	(20r,22e,24r,25s)-3-O-(2,3,4-tri-O-methyl-beta-xylopyranosyl)-24-methyl-5alpha-cholest-22-ene-3beta,4beta,6beta,8beta,15alpha,26-hexol - C[C@H](CO)[C@H](C)/C=C/[C@@H](C)[C@H]1C[C@@H]([C@@H]2[C@@]1(CC[C@H]3[C@]2(C[C@H]([C@@H]4[C@@]3(CC[C@@H]([C@@H]4O)O[C@H]5[C@@H]([C@H]([C@@H](CO5)OC)OC)OC)C)O)O)C)O	C₃₆H₆₂O₁₀	654.9