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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	N-[(1R,4R,4aS,8aR)-4a-hydroxy-4-[(2S,5R)-5-(2-isothiocyanatopropan-2-yl)-2-methyloxolan-2-yl]-1,6-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]formamide - CC1=C[C@@]2([C@H](CC1)[C@](CC[C@H]2[C@@]3(CC[C@@H](O3)C(C)(C)N=C=S)C)(C)NC=O)O	C₂₂H₃₄N₂O₃S	406.6
-	S-[(3S,8R,9R,10R,13R,14R,17R)-10,13-dimethyl-17-octyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2R)-2-bromopropanethioate - CCCCCCCC[C@@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)SC(=O)[C@@H](C)Br)C)C	C₃₀H₄₉BROS	537.7
-	Methyl (3alpha)-3-hydroxy-12-oxocholan-24-oate - CC(CCC(=O)OC)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(C4)O)C)C	C₂₅H₄₀O₄	404.6
-	6-O-phosphono-beta-D-tagatofuranose - C([C@@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O	C₆H₁₃O₉P	260.14
-	(E,2S,3R,4S)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid - CCCCCCC(=O)CCCCCC/C=C/C[C@@H]([C@@H]([C@@](CO)(C(=O)O)N)O)O	C₂₁H₃₉NO₆	401.5
-	(4S)-1-[3-[(1R,2R)-1-(2-aminopyridin-4-yl)-2-[(5-ethyl-1H-pyrrol-2-yl)methyl]-3-hydroxypropyl]-4-hydroxy-5-methoxyphenyl]-4-hydroxydodecane-3,5-dione - CCCCCCCC(=O)[C@@H](C(=O)CCC1=CC(=C(C(=C1)OC)O)[C@@H](C2=CC(=NC=C2)N)[C@@H](CC3=CC=C(N3)CC)CO)O	C₃₄H₄₇N₃O₆	593.8
-	(1R,2S,3S,7S,15R,16Z,19R,22R)-34-cyclohexyl-2,15,33-trihydroxy-19-[3-(hydroxymethyl)-5-[[(2S)-2-hydroxypropyl]amino]-4-pentylphenyl]-2-propyl-25,31-dioxahexacyclo[15.13.2.226,29.13,7.19,13.022,27]hexatriaconta-9(35),10,12,16,26,28,33-heptaen-20-yne-6,24,32-trione - CCCCCC1=C(C=C(C=C1NC[C@H](C)O)[C@H]2C/C/3=C/[C@@H](CC4=CC=CC(=C4)C[C@@H]5C[C@H](CCC5=O)[C@]([C@@H](CC6=CC7=C(C(=C6O)C8CCCCC8)OC(=O)C[C@@H]7C#C2)OC3=O)(CCC)O)O)CO	C₅₈H₇₃NO₁₀	944.2
-	1-(3-chlorophenyl)-3-[[(2R,4S,5R)-5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]thiourea - COC[C@H]1CCCN1C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=S)NC4=CC(=CC=C4)Cl	C₂₂H₃₃ClN₄OS	437.0
-	(4aR,7aS)-4-(cyclopropylmethyl)-6-propan-2-yl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one - CC(C)N1C[C@@H]2[C@H](C1)OCC(=O)N2CC3CC3	C₁₃H₂₂N₂O₂	238.33
-	methyl 2-((3R,4S)-3-(2-(diethylamino)ethyl)piperidin-4-yl)acetate - CCN(CC)CC[C@H]1CNCC[C@H]1CC(=O)OC	C₁₄H₂₈N₂O₂	256.38