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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	methyl 2-(4-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-5-carboxamido)benzoate - COC1=CC=CC=C1C2C3=C(CCN2C(=O)NC4=CC=CC=C4C(=O)OC)NC=N3	C₂₂H₂₂N₄O₄	406.4
-	(5R,8S,9S,10R,13R,14R)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione - C[C@@]12CCC(=O)C[C@H]1CC[C@H]3[C@@H]2CC[C@@]4([C@@H]3CCC4=O)C	C₁₉H₂₈O₂	288.4
68310-59-8	3,7-Dimethylocta-2,6-dienyl hexanoate - CCCCCC(=O)OCC=C(C)CCC=C(C)C	C₁₆H₂₈O₂	252.39
-	N-[(1R)-1-(9-ethylcarbazol-3-yl)ethyl]formamide - CCN1C2=C(C=C(C=C2)[C@@H](C)NC=O)C3=CC=CC=C31	C₁₇H₁₈N₂O	266.34
-	(2R)-2-[[(3S,6S,12S,15R)-3-benzyl-12-[(2R)-butan-2-yl]-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid - CC[C@@H](C)[C@H]1C(=O)NC(C(=O)N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(=O)N1)NC(=O)N[C@H](CCCN=C(N)N)C(=O)O)CC2=CC=CC=C2)C)C)CCC3=CC=C(C=C3)O	C₄₂H₆₂N₁₀O₉	851.0
5433-63-6	4-Amino-n-(6-methylpyridazin-3-yl)benzenesulfonamide - CC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N	C₁₁H₁₂N₄O₂S	264.31
-	(8aR)-2-cyclohexyl-7-(cyclopropanecarbonyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one - C1CCC(CC1)N2C[C@H]3CN(CCN3C2=O)C(=O)C4CC4	C₁₆H₂₅N₃O₂	291.39
-	(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid - C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O	C₅₃H₈₆O₂₂	1075.2
-	N-[[(2R,3S,4R)-4-[bis(pyridin-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide - CC(C)(C)CC(=O)NC[C@@H]1[C@H]([C@@H](CO1)N(CC2=CC=CC=N2)CC3=CC=CC=N3)O	C₂₃H₃₂N₄O₃	412.5
-	Ethyl 6-bromo-5-(cyanomethoxy)-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate - CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC#N)Br)C3=CC=C(C=C3)OC	C₂₀H₁₆BRNO₅	430.2