| Drug | MOL_ID | Molecule name | OB (%) | DL |
| Astragalus mongholicus Bunge (Huang-qi) | MOL000211 | Mairin | 55.38 | 0.78 | MOL000239 | Jaranol | 50.83 | 0.29 | MOL000295 | Alexandrin | 20.63 | 0.63 | MOL000296 | Hederagenin | 36.91 | 0.75 | MOL000033 | (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R,5S)-5-propan-2-yloctan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | 36.23 | 0.78 | MOL000354 | Isorhamnetin | 49.6 | 0.31 | MOL000371 | 3,9-Di-O-methylnissolin | 53.74 | 0.48 | MOL000374 | 5-Hydroxyiso-muronulatol-2,5-di-O-glucoside | 41.72 | 0.69 | MOL000378 | 7-O-Methylisomucronulatol | 74.69 | 0.3 | MOL000379 | 9,10-Dimethoxypterocarpan-3-O-β-D-glucoside | 36.74 | 0.92 | MOL000380 | (6aR,11aR)-9,10-Dimethoxy-6a,11a-dihydro-6H-benzofurano[3,2-]chromen-3-ol | 64.26 | 0.42 | MOL000387 | Bifendate | 31.1 | 0.67 | MOL000392 | Formononetin | 69.67 | 0.21 | MOL000398 | Isoflavanone | 109.99 | 0.3 | MOL000417 | Calycosin | 47.75 | 0.24 | MOL000422 | Kaempferol | 41.88 | 0.24 | MOL000433 | FA | 68.96 | 0.71 | MOL000438 | (3R)-3-(2-Hydroxy-3,4-dimethoxyphenyl)chroman-7-ol | 67.67 | 0.26 | MOL000439 | Isomucronulatol-7,2-di-O-glucosiole | 49.28 | 0.62 | MOL000440 | Isomucronulatol-7,2-di-O-glucosiole_qt | 23.42 | 0.79 | MOL000442 | 1,7-Dihydroxy-3,9-dimethoxy pterocarpene | 39.05 | 0.48 | MOL000098 | Quercetin | 46.43 | 0.28 | Morus alba L. (Sang-zhi) | MOL000422 | Kaempferol | 41.88 | 0.24 | MOL000729 | Oxysanguinarine | 46.97 | 0.87 | MOL000737 | Morin | 46.23 | 0.27 | Spatholobus suberectus Dunn (Ji-xue-teng) | MOL000392 | Formononetin | 69.67 | 0.21 | MOL000471 | Aloe-emodin | 83.38 | 0.24 | MOL000492 | (+)-Catechin | 54.83 | 0.24 | MOL000417 | Calycosin | 47.75 | 0.24 | MOL000006 | Luteolin | 36.16 | 0.25 | MOL000461 | 3,7-Dihydroxy-6-methoxy-dihydroflavonol | 43.8 | 0.26 | MOL000483 | (Z)-3-(4-Hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide | 118.35 | 0.26 | MOL000468 | 8-o-Methylreyusi | 70.32 | 0.27 | MOL000501 | Consume close grain | 68.12 | 0.27 | MOL000502 | Cajinin | 68.8 | 0.27 | MOL000497 | Licochalcone A | 40.79 | 0.29 | MOL000490 | Petunidin | 30.05 | 0.31 | MOL000507 | Psi-baptigenin | 70.12 | 0.31 | MOL000503 | Medicagol | 57.49 | 0.6 | MOL000491 | Augelicin | 37.5 | 0.66 | MOL000470 | 8-C-α-L-Arabinosylluteolin | 35.54 | 0.66 | MOL000493 | Campesterol | 37.58 | 0.71 | MOL000296 | Hederagenin | 36.91 | 0.75 | MOL000358 | Beta-sitosterol | 36.91 | 0.75 | MOL000449 | Stigmasterol | 43.83 | 0.76 | MOL000033 | (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R,5S)-5-propan-2-yloctan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | 36.23 | 0.78 | MOL000469 | 3-Hydroxystigmast-5-en-7-one | 40.93 | 0.78 | Sigesbeckia orientalis L. (Xi-xian-cao) | MOL004180 | Coronaridine | 34.97 | 0.68 | MOL000296 | Hederagenin | 36.91 | 0.75 | MOL000358 | Beta-sitosterol | 36.91 | 0.75 | MOL004179 | Vernolic acid | 37.63 | 0.19 | MOL000449 | Stigmasterol | 43.83 | 0.76 | MOL004172 | (1R)-1-[(2S,4aR,4bS,7R,8aS)-7-Hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol | 46.7 | 0.31 | MOL004184 | Siegesesteric acid II | 51.98 | 0.48 | MOL004177 | 15alpha-Hydroxy-ent-kaur-16-en-19-oic acid | 58.73 | 0.38 | MOL004185 | Siegesmethyletheric acid | 60.72 | 0.43 | Clematis chinensis Osbeck (Wei-ling-xian) | MOL001663 | (4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | 32.03 | 0.76 | MOL002372 | (6Z,10E,14E,18E)-2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene | 33.55 | 0.42 | MOL005598 | Embinin | 33.91 | 0.73 | MOL000358 | Beta-sitosterol | 36.91 | 0.75 | MOL005594 | ClematosideA_qt | 37.51 | 0.76 | MOL005603 | Heptyl phthalate | 42.26 | 0.31 | MOL000449 | Stigmasterol | 43.83 | 0.76 | Achyranthes bidentata Blume (Huai-niu-xi) | MOL001006 | Poriferasta-7,22E-dien-3beta-ol | 42.98 | 0.76 | MOL012461 | 28-Norolean-17-en-3-ol | 35.93 | 0.78 | MOL012505 | Bidentatoside,ii_qt | 31.76 | 0.59 | MOL012537 | Spinoside A | 41.75 | 0.4 | MOL012542 | β-Ecdysterone | 44.23 | 0.82 | MOL001454 | Berberine | 36.86 | 0.78 | MOL001458 | Coptisine | 30.67 | 0.86 | MOL000173 | Wogonin | 30.68 | 0.23 | MOL002643 | Delta 7-stigmastenol | 37.42 | 0.75 | MOL002714 | Baicalein | 33.52 | 0.21 | MOL002776 | Baicalin | 40.12 | 0.75 | MOL002897 | Epiberberine | 43.09 | 0.78 | MOL000358 | Beta-sitosterol | 36.91 | 0.75 | MOL003847 | Inophyllum E | 38.81 | 0.85 | MOL000422 | Kaempferol | 41.88 | 0.24 | MOL004355 | Spinasterol | 42.98 | 0.76 | MOL000449 | Stigmasterol | 43.83 | 0.76 | MOL000785 | Palmatine | 64.6 | 0.65 | MOL000085 | Beta-daucosterol_qt | 36.91 | 0.75 | MOL000098 | Quercetin | 46.43 | 0.28 | Scorpion (Quan-xie) | MOL011455 | 20-Hexadecanoylingenol | 32.7 | 0.65 | MOL000953 | Cholesterol | 37.87 | 0.68 | MOL002223 | Taurine | 24.37 | 0.21 | MOL002156 | Trimethylamine | 59.98 | 0.18 | MOL000860 | Stearic acid | 17.83 | 0.14 | MOL002223 | Taurine | 24.37 | 0.01 | MOL000069 | Palmitic acid | 19.3 | 0.1 |
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