| Mol ID | Molecule name | OB (%) | DL | Target |
| MOL001601 | 1,2,5,6-tetrahydrotanshinone | 38.75 | 0.36 | 29 | MOL001659 | Poriferasterol | 43.83 | 0.76 | 2 | MOL001771 | Poriferast-5-en-3beta-ol | 36.91 | 0.75 | 2 | MOL001942 | Isoimperatorin | 45.46 | 0.23 | 1 | MOL002222 | Sugiol | 36.11 | 0.28 | 17 | MOL002651 | Dehydrotanshinone II A | 43.76 | 0.4 | 21 | MOL002776 | Baicalin | 40.12 | 0.75 | 2 | MOL000569 | Digallate | 61.85 | 0.26 | 3 | MOL000006 | Luteolin | 36.16 | 0.25 | 57 | MOL006824 | α-Amyrin | 39.51 | 0.76 | 0 | MOL007036 | 5,6-dihydroxy-7-isopropyl-1,1-dimethyl-2,3-dihydrophenanthren-4-one | 33.77 | 0.29 | 17 | MOL007041 | 2-isopropyl-8-methylphenanthrene-3,4-dione | 40.86 | 0.23 | 33 | MOL007045 | 3α-hydroxytanshinoneIIa | 44.93 | 0.44 | 13 | MOL007048 | (E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-benzofuran-4-yl]acrylic acid | 48.24 | 0.31 | 3 | MOL007049 | 4-methylenemiltirone | 34.35 | 0.23 | 33 | MOL007050 | 2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-3-benzofurancarboxaldehyde | 62.78 | 0.4 | 12 | MOL007051 | 6-o-syringyl-8-o-acetyl shanzhiside methyl ester | 46.69 | 0.71 | 0 | MOL007058 | Formyltanshinone | 73.44 | 0.42 | 8 | MOL007059 | 3-beta-Hydroxymethyllenetanshiquinone | 32.16 | 0.41 | 17 | MOL007061 | Methylenetanshinquinone | 37.07 | 0.36 | 24 | MOL007063 | Przewalskin a | 37.11 | 0.65 | 2 | MOL007064 | Przewalskin b | 110.32 | 0.44 | 6 | MOL007068 | Przewaquinone B | 62.24 | 0.41 | 9 | MOL007069 | Przewaquinone c | 55.74 | 0.4 | 22 | MOL007070 | (6S,7R)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione | 41.31 | 0.45 | 8 | MOL007071 | Przewaquinone f | 40.31 | 0.46 | 5 | MOL007077 | Sclareol | 43.67 | 0.21 | 1 | MOL007079 | Tanshinaldehyde | 52.47 | 0.45 | 13 | MOL007081 | Danshenol B | 57.95 | 0.56 | 8 | MOL007082 | Danshenol A | 56.97 | 0.52 | 9 | MOL007085 | Salvilenone | 30.38 | 0.38 | 8 | MOL007088 | Cryptotanshinone | 52.34 | 0.4 | 30 | MOL007093 | Dan-shexinkum d | 38.88 | 0.55 | 29 | MOL007094 | Danshenspiroketallactone | 50.43 | 0.31 | 25 | MOL007098 | Deoxyneocryptotanshinone | 49.4 | 0.29 | 28 | MOL007100 | Dihydrotanshinlactone | 38.68 | 0.32 | 36 | MOL007101 | dihydrotanshinoneI | 45.04 | 0.36 | 17 | MOL007105 | Epidanshenspiroketallactone | 68.27 | 0.31 | 26 | MOL007107 | C09092 | 36.07 | 0.25 | 12 | MOL007108 | Isocryptotanshi-none | 54.98 | 0.39 | 31 | MOL007111 | Isotanshinone II | 49.92 | 0.4 | 26 | MOL007115 | Manool | 45.04 | 0.2 | 1 | MOL007118 | Microstegiol | 39.61 | 0.28 | 0 | MOL007119 | Miltionone I | 49.68 | 0.32 | 28 | MOL007120 | Miltionone II | 71.03 | 0.44 | 8 | MOL007121 | Miltipolone | 36.56 | 0.37 | 2 | MOL007122 | Miltirone | 38.76 | 0.25 | 26 | MOL007123 | Miltirone II | 44.95 | 0.24 | 0 | MOL007124 | Neocryptotanshinone ii | 39.46 | 0.23 | 29 | MOL007125 | Neocryptotanshinone | 52.49 | 0.32 | 16 | MOL007127 | 1-methyl-8,9-dihydro-7H-naphtho[5,6-g]benzofuran-6,10,11-trione | 34.72 | 0.37 | 20 | MOL007130 | Prolithospermic acid | 64.37 | 0.31 | 10 | MOL007132 | (2R)-3-(3,4-dihydroxyphenyl)-2-[(Z)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid | 109.38 | 0.35 | 8 | MOL007140 | (Z)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-3,4-dihydroxy-phenyl]acrylic acid | 88.54 | 0.26 | 0 | MOL007141 | Salvianolic acid g | 45.56 | 0.61 | 1 | MOL007142 | Salvianolic acid j | 43.38 | 0.72 | 3 | MOL007143 | Salvilenone I | 32.43 | 0.23 | 8 | MOL007145 | Salviolone | 31.72 | 0.24 | 38 | MOL007149 | NSC 122421 | 34.49 | 0.28 | 0 | MOL007150 | (6S)-6-hydroxy-1-methyl-6-methylol-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone | 75.39 | 0.46 | 8 | MOL007151 | Tanshindiol B | 42.67 | 0.45 | 7 | MOL007152 | Przewaquinone E | 42.85 | 0.45 | 7 | MOL007154 | Tanshinone iia | 49.89 | 0.4 | 41 | MOL007155 | (6S)-6-(hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione | 65.26 | 0.45 | 13 | MOL007156 | Tanshinone VI | 45.64 | 0.3 | 13 |
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