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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]-3-phenylpropanoic acid - COC1=CC2=C(C=C1)N(C=C2)CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O	C₂₀H₂₀N₂O₄	352.4
-	cyclo[OAla-Pro-D-OVal-D-N(Me)Val-Pro-D-hPhe(bR-Me)-Pro-bAla(2R-Me,3S-iPr)] - C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](N(C(=O)[C@H](OC(=O)[C@@H]4CCCN4C(=O)[C@@H](OC1=O)C)C(C)C)C)C(C)C)[C@H](C)CC5=CC=CC=C5)C(C)C	C₄₇H₇₀N₆O₁₀	879.1
-	N-[(4-Methoxyphenyl)methyl]-3-[(6-phenylpyrimidin-4-YL)oxy]benzamide - COC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)OC3=NC=NC(=C3)C4=CC=CC=C4	C₂₅H₂₁N₃O₃	411.5
-	(1S,5S,7S)-5-[(2R)-2-hydroxybut-3-en-2-yl]-8,8-dimethyl-2-methylidene-4-oxabicyclo[5.2.0]nonan-3-one - CC1(C[C@H]2[C@@H]1C[C@H](OC(=O)C2=C)[C@@](C)(C=C)O)C	C₁₅H₂₂O₃	250.33
-	(1R,9R)-N-(4-methoxyphenyl)-6-oxo-3-(thiophen-2-ylsulfonylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide - COC1=CC=C(C=C1)NC(=O)N2C[C@@H]3C[C@H](C2)C4=C(C=CC(=O)N4C3)NS(=O)(=O)C5=CC=CS5	C₂₃H₂₄N₄O₅S₂	500.6
-	[(8S,9R,10R,11S,13R)-6,9,10-trimethyl-2-oxo-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-1(14),3(7),5-trien-8-yl] 3-methylbutanoate - C[C@H]1[C@H]2[C@H](O2)C=C3[C@@]1([C@@H](C4=C(C3=O)OC=C4C)OC(=O)CC(C)C)C	C₂₀H₂₄O₅	344.4
-	[(1S,2R,3S,4R,7R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-22-(2-acetyloxypropan-2-yl)-2-hydroxy-3,8,8,17,19-pentamethyl-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-16-yl] acetate - C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4([C@@H](C[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@H]3O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)OC(=O)C)C)O2)C(C)(C)OC(=O)C	C₃₉H₆₀O₁₂	720.9
17243-39-9	Benzoctamine - CNCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24	C₁₈H₁₉N	249.3
-	(2S)-2-hydroxy-3-[(2R,6S)-6-hydroxy-5-[(Z)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one - CC1=C(C(CCC1)(C)C)CC/C(=C\CCC2=CC[C@@H](O[C@@H]2O)C3=CC(=O)O[C@@H]3O)/C	C₂₅H₃₆O₅	416.5
-	(1R,2R,7S,10R,13R,14S,16S,19R,20S)-19-[(2S)-2-hydroxy-5-oxo-2H-furan-4-yl]-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione - C[C@@]12CC[C@H]3[C@]([C@]14[C@H](O4)C(=O)O[C@H]2C5=C[C@H](OC5=O)O)(C(=O)C[C@@H]6[C@@]37COC(=O)C[C@@H]7OC6(C)C)C	C₂₆H₃₀O₁₀	502.5