{"text_format":"3","workbook":"xls","n_sheets":2,"sheets":["Search results","20 active ingredients were scre"],"not_rendered":{"external_links":1},"read":"whole","date_system":"1900","formulas":"cached_only"}

{"sheet":"Search results","index":0,"n_rows":88,"n_cols":12,"rows_kept":88,"flags":["formulas_cached_only"]}
["Mol ID","Molecule Name","MW","AlogP","Hdon","Hacc","OB (%)","Caco-2","BBB","DL","FASA-","HL"]
["MOL000114","vanillic acid",168.16,1.15,2,4,35.47,0.43,0.09,0.04,0.34,11.62]
["MOL000131","EIC",280.5,6.39,1,2,41.9,1.16,0.9,0.14,0.25,7.5]
["MOL000211","Mairin",456.78,6.52,2,3,55.38,0.73,0.22,0.78,0.26,8.87]
["MOL001955","Heriguard",354.34,-0.42,6,9,11.93,-1.03,-1.71,0.33,0.37]
["MOL000239","Jaranol",314.31,2.09,2,6,50.83,0.61,-0.22,0.29,0.29,15.5]
["MOL000251","Rhamnocitrin",300.28,2.02,3,6,12.9,0.48,-0.38,0.27,0.32]
["MOL000295","alexandrin",576.95,6.34,4,6,20.63,-0.2,-0.81,0.63,0]
["MOL000296","hederagenin",414.79,8.08,1,1,36.91,1.32,0.96,0.75,0,5.35]
["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",428.82,8.54,1,1,36.23,1.45,1.09,0.78,0,5.22]
["MOL000354","isorhamnetin",316.28,1.76,4,7,49.6,0.31,-0.54,0.31,0.32,14.34]
["MOL000356","lupeol",426.8,7.4,1,1,12.12,1.46,1.29,0.78,0.24]
["MOL000371","3,9-di-O-methylnissolin",314.36,2.89,0,5,53.74,1.18,0.63,0.48,0,9]
["MOL000372","3-Hydroxy-2-picoline",109.14,0.7,1,2,62.47,1.05,1.02,0.02,0,11.95]
["MOL000373","(2S)-4-methoxy-7-methyl-2-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-ethyl]-2,3-dihydrofuro[3,2-g]chromen-5-one",452.5,0.27,4,10,5.38,-0.8,-1.14,0.81,0]
["MOL000374","5'-hydroxyiso-muronulatol-2',5'-di-O-glucoside",642.67,-0.95,9,16,41.72,-2.47,-3.62,0.69,0,2.52]
["MOL000375","5'-hydroxyiso-muronulatol-2',5'-di-O-glucoside_qt",480.51,0.96,6,11,3.65,-1.11,-1.89,0.8,0]
["MOL000376","7,2'-dihydroxy-3',4'-dimethoxyisoflavone-7-O-β-D-glucoside",476.47,0.4,5,11,16.16,-0.87,-1.85,0.86,0]
["MOL000377","7-hydroxy-3-(2-hydroxy-3,4-dimethoxy-phenyl)chromone",314.31,2.3,2,6,5.45,0.58,-0.21,0.3,0]
["MOL000378","7-O-methylisomucronulatol",316.38,3.38,1,5,74.69,1.08,0.84,0.3,0,2.98]
["MOL000379","9,10-dimethoxypterocarpan-3-O-β-D-glucoside",462.49,0.74,4,10,36.74,-0.63,-1.5,0.92,0,13.06]
["MOL000380","(6aR,11aR)-9,10-dimethoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-3-ol",300.33,2.64,1,5,64.26,0.93,0.55,0.42,0,8.49]
["MOL000381","13-hydroxy-9,11-octadecadienoic acid",296.5,5.29,2,3,35.6,0.44,-0.38,0.17,0,4.63]
["MOL000382","Arabinose,d",150.15,-2.17,4,5,1.87,-1.59,-3.98,0.02,0]
["MOL000383","D-Galacturonic acid, homopolymer",194.16,-2.47,5,7,29.75,-2,-4.71,0.04,0]
["MOL000384","DL-Glucuronic acid",194.16,-2.47,5,7,3.35,-1.91,-4.72,0.04,0]
["MOL005928","isoferulic acid",194.2,1.62,2,4,50.83,0.49,0.01,0.06,0,2.45]
["MOL000386","Fucopyranose, L-",164.18,-1.8,4,5,42.51,-1.32,-3.58,0.03,0,11.41]
["MOL000387","Bifendate",418.38,2.56,0,10,31.1,0.15,-0.06,0.67,0,17.96]
["MOL000388","gamma-aminobutyric acid",103.14,-0.62,3,3,24.09,-0.26,-0.57,0.01,0]
["MOL000389","FERULIC ACID (CIS)",194.2,1.62,2,4,54.97,0.53,0.36,0.06,0,2.58]
["MOL000390","daidzein",254.25,2.33,2,4,19.44,0.59,-0.22,0.19,0]
["MOL000391","Ononin",430.44,0.68,4,9,11.52,-0.74,-1.67,0.78,0]
["MOL000392","formononetin",268.28,2.58,1,4,69.67,0.78,0.02,0.21,0,17.04]
["MOL000393","Soyasaponin I",943.26,0.97,11,18,2.06,-2.75,-3.38,0.05,0]
["MOL000394","choline",104.2,-1.57,1,1,0.47,0.86,0.64,0.01,0]
["MOL000395","GGB",176.21,-1.84,7,7,54.95,-0.72,-1.12,0.03,0,0.99]
["MOL000396","(+)-Syringaresinol",418.48,2.1,2,8,3.29,0.47,-0.34,0.72,0]
["MOL000397","cis-p-Coumarate",164.17,1.64,2,3,45.98,0.46,0.36,0.04,0,4.89]
["MOL000398","isoflavanone",316.33,2.42,2,6,109.99,0.53,0.17,0.3,0,15.51]
["MOL000399","Docosanoate",340.66,9.11,1,2,15.69,1.21,0.91,0.26,0]
["MOL000400","Flavaxin",376.41,0.23,5,10,18.18,-1.52,-1.81,0.5,0]
["MOL000401","astragalosideI",869.17,0.41,7,16,46.79,-2.28,-3.58,0.11,0,13.14]
["MOL000402","astragalosideI_qt",707.01,2.16,4,11,12.34,-1.15,-2.19,0.2,0]
["MOL000403","astragalosideII",827.13,0.03,8,15,46.06,-2.05,-3.26,0.13,0,10.58]
["MOL000404","astragalosideII_qt",664.97,1.78,5,10,11.55,-1.05,-2.21,0.25,0]
["MOL000405","astragalosideⅢ",785.09,-0.35,9,14,31.83,-2.26,-3.37,0.1,0,9.05]
["MOL000406","astragalosideⅢ_qt",622.93,1.4,6,9,5.35,-1.26,-2.18,0.32,0]
["MOL000407","astragalosideⅣ",785.09,-0.35,9,14,22.5,-2.11,-3.41,0.15,0]
["MOL000408","astragalosideⅣ_qt",622.93,1.4,6,9,7.07,-1.11,-2.07,0.32,0]
["MOL000409","AstragalosideIV",785.09,-0.35,9,14,17.74,-2.22,-3.17,0.15,0]
["MOL000410","AstragalosideIV_qt",622.93,1.4,6,9,7.07,-0.85,-1.7,0.32,0]
["MOL000411","Astraisoflavanin",464.51,1.22,5,10,18.37,-0.76,-1.56,0.86,0]
["MOL000412","Mucronulatol",302.35,3.13,2,5,4.22,0.93,0.4,0.26,0]
["MOL000413","astrachrysoside A",769.09,0.54,8,13,24.55,-1.93,-2.96,0.1,0]
["MOL000414","Caffeate",180.17,1.37,3,4,54.97,0.27,0.11,0.05,0,1.63]
["MOL000415","rutin",610.57,-1.45,10,16,3.2,-1.93,-2.75,0.68,0]
["MOL000416","Lariciresinol",360.44,2.46,3,6,5.53,0.27,-0.49,0.38,0]
["MOL000417","Calycosin",284.28,2.32,2,5,47.75,0.52,-0.43,0.24,0,17.1]
["MOL000418","3'-Hydroxy-4'-methoxyisoflavone-7-O-beta-D-glucoside",446.44,0.41,5,10,10.05,-0.93,-1.82,0.81,0]
["MOL000419","astrasieversianin XV",901.22,-0.7,10,17,11.19,-2.72,-4.03,0.07,0]
["MOL000420","XLS",150.15,-2.17,4,5,51.08,-1.27,-3.58,0.02,0,11.37]
["MOL000421","nicotinic acid",123.12,0.28,1,3,47.65,0.34,0.21,0.02,0,11.98]
["MOL000422","kaempferol",286.25,1.77,4,6,41.88,0.26,-0.55,0.24,0,14.74]
["MOL000423","rhamnocitrin-3-O-glucoside",462.44,-0.07,6,11,2.87,-1.34,-1.97,0.76,0]
["MOL000424","RAM",164.18,-1.62,4,5,50.5,-1.21,-3.21,0.04,0,11.27]
["MOL000425","asernestioside A",931.25,-1.21,11,18,11.07,-3.03,-4.31,0.03,0]
["MOL000426","asernestioside A_qt",769.09,0.54,8,13,24.55,-1.95,-2.98,0.1,0]
["MOL000427","asernestioside B",973.29,-0.83,10,19,12.54,-2.86,-4.41,0.03,0]
["MOL000428","asernestioside B_qt",811.13,0.92,7,14,14.03,-1.81,-2.98,0.09,0]
["MOL000429","Crystal VI",132.14,-1.85,5,5,83.96,-0.88,-1.15,0.02,0,11.59]
["MOL000430","betaine",117.17,-2.04,0,2,40.92,-0.77,-1.31,0.01,0.08,10.78]
["MOL000431","coumarin",146.15,1.9,0,2,29.17,1.2,1.3,0.04,0]
["MOL000432","linolenic acid",278.48,5.95,1,2,45.01,1.21,0.84,0.15,0,5.54]
["MOL000433","FA",441.45,0.01,7,13,68.96,-1.5,-2.59,0.71,0,24.81]
["MOL000434","acetylastragaloside I",911.21,0.79,6,17,43.54,-2.18,-3.23,0.09,0,16.02]
["MOL000435","acetylastragaloside I_qt",749.05,2.54,3,12,30.75,-1.07,-2.1,0.17,0,12.94]
["MOL000436","(Z)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one",256.27,2.9,3,4,87.51,0.2,-0.48,0.15,0,20.28]
["MOL000437","Hirsutrin",464.41,-0.59,8,12,1.86,-1.66,-2.31,0.77,0]
["MOL000438","(3R)-3-(2-hydroxy-3,4-dimethoxyphenyl)chroman-7-ol",302.35,3.13,2,5,67.67,0.96,0.34,0.26,0,2.9]
["MOL000439","isomucronulatol-7,2'-di-O-glucosiole",626.67,-0.68,8,15,49.28,-2.22,-3.36,0.62,0,0.93]
["MOL000440","isomucronulatol-7,2'-di-O-glucosiole_qt",464.51,1.22,5,10,23.42,-0.66,-1.48,0.79,0]
["MOL000441","LUPENONE",424.78,7.36,0,1,11.66,1.48,1.31,0.78,0]
["MOL000442","1,7-Dihydroxy-3,9-dimethoxy pterocarpene",314.31,3.11,2,6,39.05,0.89,-0.04,0.48,0,7.95]
["MOL000054","L-",174.24,-1.11,7,6,47.64,-0.49,-1.04,0.03,0,0.85]
["MOL000061","Prolinum",115.15,-0.06,2,3,77.57,0.22,0.29,0.01,0,11.13]
["MOL000069","palmitic acid",256.48,6.37,1,2,19.3,1.09,1,0.1,0]
["MOL000098","quercetin",302.25,1.5,5,7,46.43,0.05,-0.77,0.28,0.38,14.4]

{"sheet":"20 active ingredients were scre","index":1,"n_rows":24,"n_cols":7,"rows_kept":24,"flags":["formulas_cached_only"]}
["Mol ID","Molecule Name","OB (%)","DL","CAS/Pubchem Cid/InChlkey2","Canonical SMILES","Isomeric SMILES"]
["MOL000211","Mairin",55.38,0.78,"472-15-1/\t64971/ QGJZLNKBHJESQX-FZFNOLFKSA-N","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O","CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O"]
["MOL000239","Jaranol",50.83,0.29,"3301-49-3/\t5318869/BJBUTJQYZDYRMJ-UHFFFAOYSA-N","COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O","COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O  "]
["MOL000296","hederagenin",36.91,0.75,"465-99-6,474-58-8,N/A,\tKZJWDPNRJALLNS-CQXWNKEUSA-N","CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C","C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O  "]
["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,"64997-52-0/15976101/KLEXDBGYSOIREE-UIFQYPGESA-N","CCCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C","CCC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C"]
["MOL000354","isorhamnetin",49.6,0.31,"480-19-3/5281654/IZQSVPBOUDKVDZ-UHFFFAOYSA-N","COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O","COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O"]
["MOL000371","3,9-di-O-methylnissolin",53.74,0.48,"N/A,15689655,RFFNFQZKHNKOPO-BBRMVZONSA-N","COC1=CC2=C(C=C1)C3C(CO2)C4=C(O3)C(=C(C=C4)OC)OC","COC1=CC2=C(C=C1)[C@H]3[C@@H](CO2)C4=C(O3)C(=C(C=C4)OC)OC"]
["MOL000374","5'-hydroxyiso-muronulatol-2',5'-di-O-glucoside",41.72,0.69,"N/A,N/A,SRVGYVIWVOOXQO-FQRJZKGRSA-N","？？？COC1=C(C=C(C(=C1OC)OC2C(C(C(C(O2)CO)O)O)O)C3CC4=C(C=C(C=C4)O)OC3)OC5C(C(C(C(O5)CO)O)O)O","？？？COC1=C(C=C(C(=C1OC)OC2C(C(C(C(O2)CO)O)O)O)C3CC4=C(C=C(C=C4)O)OC3)OC5C(C(C(C(O5)CO)O)O)O"]
["MOL000378","7-O-methylisomucronulatol",74.69,0.3,"N/A,15689652,BLHQCBJSTMDZQA-LBPRGKRZSA-N","COC1=CC2=C(CC(CO2)C3=C(C(=C(C=C3)OC)OC)O)C=C1","COC1=CC2=C(C[C@@H](CO2)C3=C(C(=C(C=C3)OC)OC)O)C=C1"]
["MOL000379","9,10-dimethoxypterocarpan-3-O-β-D-glucoside",36.74,0.92,"94367-42-7,N/A,PCIXSTFFMHVOMF-PBGSHFJYSA-N","？？？COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O)OC","？？？COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O)OC"]
["MOL000380","(6aR,11aR)-9,10-dimethoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-3-ol",64.26,0.42,"73340-41-7,94367-42-7/14077830/UOVGCLXUTLXAEC-WFASDCNBSA-N","COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O)OC","COC1=C(C2=C(C=C1)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4)O)OC  "]
["MOL000387","Bifendate",31.1,0.67,"73536-69-3/108213/JMZOMFYRADAWOG-UHFFFAOYSA-N","COC1=C2C(=C(C(=C1)C(=O)OC)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2","COC1=C2C(=C(C(=C1)C(=O)OC)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2 "]
["MOL000392","formononetin",69.67,0.21,"485-72-3/5280378/ \tHKQYGTCOTHHOMP-UHFFFAOYSA-N","COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O","COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O"]
["MOL000398","isoflavanone",109.99,0.3,"N/A,N/A,JNSVNRWHSLLCBG-LLVKDONJSA-N",null,"C1C(C(=O)C2=CC=CC=C2O1)C3=CC=CC=C3"]
["MOL000417","Calycosin",47.75,0.24,"20575-57-9/5280448/ZZAJQOPSWWVMBI-UHFFFAOYSA-N","COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O","COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O "]
["MOL000422","kaempferol",41.88,0.24,"520-18-3/5280863/ \tIYRMWMYZSQPJKC-UHFFFAOYSA-N","C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O","C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O "]
["MOL000433","FA",68.96,0.71,"33609-88-0、59-30-3/6037/OVBPIULPVIDEAO-LBPRGKRZSA-N","C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N","C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N  "]
["MOL000438","(3R)-3-(2-hydroxy-3,4-dimethoxyphenyl)chroman-7-ol",67.67,0.26,"64474-51-7/10380176/ NQRBAPDEZYMKFL-NSHDSACASA-N","COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)O)OC","COC1=C(C(=C(C=C1)[C@H]2CC3=C(C=C(C=C3)O)OC2)O)OC  "]
["MOL000439","isomucronulatol-7,2'-di-O-glucosiole",49.28,0.62,"N/A、15689653、 NHOPAJCVMDIGBN-MEPKZADGSA-N","COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC2)OC5C(C(C(C(O5)CO)O)O)O)OC","COC1=C(C(=C(C=C1)[C@H]2CC3=C(C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC  "]
["MOL000442","1,7-Dihydroxy-3,9-dimethoxy pterocarpene",39.05,0.48,"N/A，5316760，RVGZSUMTFIEORY-UHFFFAOYSA-N","COC1=CC(=C2C(=C1)OCC3=C2OC4=CC(=CC(=C34)O)OC)O","COC1=CC(=C2C(=C1)OCC3=C2OC4=CC(=CC(=C34)O)OC)O"]
["MOL000098","quercetin",46.43,0.28,"73123-10-1、74893-81-5\n、117-39-5/5280343/REFJWTPEDVJJIY-UHFFFAOYSA-N","C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O","C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O"]
[]
[]
[null,"OB≥30%+DL≥0.18"]