{"text_format":"2","workbook":"xls","n_sheets":1,"sheets":["sheet1"],"not_rendered":{"charts":0,"images":0,"macros":0,"external_links":1,"defined_names":0,"comments":0,"pivot_tables":0},"unopened":[],"bounds":{"document_bytes":16777216,"sheet_cells":100000,"run_cost":"one","rows_first":2000,"rows_last":500,"rows_between":2000,"halvings":0,"cell_chars":16384,"cell_head_chars":4096},"cells_cut":0,"cells_raw":0,"read":"whole","date_system":"1900","formulas":"cached_only"}

{"sheet":"sheet1","index":0,"n_rows":89,"n_cols":2,"rows_kept":89,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Best 11 models","Hits"]
["FCFP_10","XGN00003、XGN00004、XGN00005、XGN00021、XGN00098、XGN00099、XGN00100、XGN00102、XGN00103、XGS00001、XGS00002、XGS00003、XGS00004、XGS00005、XGS00142、XGS00143、XGS00144、XGS00145、XGS00146、XGS00147、XGS00148、XGS00153、XGS00154、XGS00155、XGS00156、XGS00157、XGS00158、XGS00159、XGS00160"]
["DS + FPFP_4","XGN00023、XGN00025、XGN00027、XGN00029、XGN00033、XGN00034、XGN00035、XGN00038、XGN00107、XGN00108、XGN00114、XGN00124、XGN00125、XGS00001、XGS00002、XGS00003、XGS00004、XGS00005、XGS00142、XGS00143、XGS00144、XGS00145、XGS00146、XGS00147、XGS00148、XGS00153、XGS00154、XGS00155、XGS00156、XGS00157、XGS00158、XGS00159、XGS00160"]
["DS+EPFP_4-5*","XGN00014、XGN00015、XGN00016、XGN00021、XGN00075、XGN00076、XGN00078、XGN00083、XGN00086、XGN00088、XGS00001、XGS00002、XGS00003、XGS00004、XGS00005、 XOS00154"]
["FCFP_8","XGN00003、XGN00004、XGN00005、XGN00014、XGN00015、XGN00016、XGN00021、XGN00086、XGN00088、XGN00098、XGN00099、XGN00100、XGN00102、XGN00103、XGS00142、XGS00143、XGS00144、XGS00145、XGS00146、XGS00147、XGS00148、XGS00153、XGS00154、XGS00155、XGS00156、XGS00157、XGS00158、XGS00159、XGS00160"]
["ECFP_6","XGN00098、XGN00099、XGN00100、XGN00132、XGN00133、XGN00134、XGN00135、XGN00136、XGN00137、XGN00139、XGN00141、XGN00142、XGS00001、XGS00002、XGS00003、XGS00004、XGS00005"]
["MOE + FPFP_4","XGN00023、XGN00025、XGN00027、XGN00029、XGN00033、XGN00034、XGN00035、XGN00038、XGS00001、XGS00002、XGS00003、XGS00004、XGS00005、XGS00142、XGS00143、XGS00144、XGS00145、XGS00146、XGS00147、XGS00148、XGS00153、XGS00154、XGS00155、XGS00156、XGS00157、XGS00158、XGS00159、XGS00160"]
["MOE+ECFP_4-4*","XGN00098、XGN00099、XGN00100、XGN00160、XGS00001、XGS00002、XGS00003、XGS00004、XGS00005"]
["FPFP_4","XGN00023、XGN00025、XGN00027、XGN00029、XGN00033、XGN00034、XGN00035、XGN00038、XGS00001、XGS00002、XGS00003、XGS00004、XGS00005、XGS00142、XGS00143、XGS00144、XGS00145、XGS00146、XGS00147、XGS00148、XGS00153、XGS00154、XGS00155、XGS00156、XGS00157、XGS00158、XGS00159、XGS00160"]
["MOE + EPFP_8","XGS00100、XGS00101、XGS00102、XGS00105、XGS00106、XGS00108、XGS00131、XOS00022、XOS00141、XOS00142、XOS00144、XGS00001、XGS00002、XGS00003、XGS00004、XGS00005、XGS00117、XGS00128"]
["FCFP_6","XGN00003、XGN00004、XGN00005、XGN00014、XGN00015、XGN00016、XGN00021、XGN00086、XGN00088、XGN00098、XGN00099、XGN00100、XGN00102、XGN00103"]
["MOE + EPFP_4","XGS00100、XGS00101、XGS00102、XGS00105、XGS00106、XGS00108、XGS00131、XOS00022、XOS00141、XOS00142、XOS00144"]
[]
["name","SMILES"]
["XGN00003","O(C(=O)\\C=C\\c1cc(O)c(O)cc1)C1CC(O)(C[C@H](OC(=O)\\C=C\\c2cc(O)c(O)cc2)C1O)C(OC)=O"]
["XGN00004","O(C(=O)\\C=C/c1cc(O)c(O)cc1)C1C(OC(=O)\\C=C\\c2cc(O)c(O)cc2)CC(O)(CC1O)C(OC)=O"]
["XGN00005","O1[C@@H]2\\C=C(/C[C@@H]3OC(=O)C(C[C@H](OC(=O)C(C)=C)C2C(=C)C1=O)=C3)\\C"]
["XGN00014","O1c2c(C(=O)C=C1c1ccc(OC)cc1)c(O)cc(O)c2"]
["XGN00015","O1[C@H]2[C@@H](CC[C@@](O)([C@@]34[C@@H]2[C@](C=C3)(C)[C@]2([C@H]3[C@H](OC2=O)[C@@H]2[C@@H](CC=C2C)[C@](O)(C[C@@H]3OC(=O)\\C(=C/C)\\C)C)C4)C)C(=C)C1=O"]
["XGN00016","O1c2c(C(=O)C=C1c1ccc(OC)cc1)c(O)cc(OC)c2"]
["XGN00021","O1c2c(C(=O)C(=C1c1ccc(OC)cc1)c1c3OC(=CC(=O)c3c(O)cc1O)c1ccc(OC)cc1)c(O)cc(OC)c2"]
["XGN00023","O1[C@H]2C(CC[C@@](O)(C34C2[C@](C=C3)(C)[C@]2(C3[C@H](OC2=O)C2C(CC=C2C)[C@](O)(C[C@@H]3OC(=O)C)C)C4)C)C(=C)C1=O"]
["XGN00025","O1c2c(C(=O)C=C1c1cc(OC)c(OC)cc1)c(O)cc(OC)c2OC"]
["XGN00027","O1c2c(C(=O)C=C1c1cc(-c3cc(ccc3OC)C=3Oc4c(C(=O)C=3)c(O)cc(OC)c4)c(OC)cc1)c(O)cc(OC)c2"]
["XGN00029","O1c2c(c(O)c(O)c(O)c2)C(=O)C=C1c1cc(OC)c(OC)c(OC)c1"]
["XGN00033","O1[C@H]2[C@@H](CC[C@@](O)([C@@]34[C@@H]2[C@](C=C3)(C)[C@]2([C@H]3[C@H](OC2=O)[C@@H]2[C@@H](CC=C2C)[C@](O)(C[C@@H]3O)C)C4)C)C(=C)C1=O"]
["XGN00034","O1c2c(C(=O)C=C1c1cc(O)c(O)cc1)c(O)cc(O)c2"]
["XGN00035","O1[C@@H](Oc2cc(O)c3c(OC(=CC3=O)c3ccc(OC)cc3)c2)[C@@H](O)C(O)[C@H](O)C1CO"]
["XGN00038","O1[C@H]2[C@@H](CC[C@@](O)([C@@]34[C@@H]2[C@](C=C3)(C)[C@]2([C@H]3[C@H](OC2=O)[C@@H]2[C@@H](CC=C2C)[C@](O)(C[C@@H]3OC(=O)\\C(=C/C)\\C)C)C4)C)C(=C)C1=O"]
["XGN00075","O1c2c(C(=O)C(O)=C1c1ccc(OC)cc1)c(O)cc(OC)c2O"]
["XGN00076","O1c2c(C(=O)C(O)=C1c1ccc(OC)cc1)c(O)cc(OC)c2"]
["XGN00078","O1c2c(c(O)c(OC)c(OC)c2O)C(=O)C=C1c1ccc(OC)cc1"]
["XGN00083","S=Cc1ccc(OC)cc1"]
["XGN00086","O(C)C1=CC(=O)C(C)=C(O)C=C1OC"]
["XGN00088","OC(C[C@@H]1N(C)[C@@H](C=CC1)CC(=O)CC)CC"]
["XGN00098","O1c2cc(ccc2OC1)C=1N(c2c(cccc2)C(=O)C=1)C"]
["XGN00099","O(C)c1c(O)c2c(N(c3c(cccc3)C2=O)C)cc1OC"]
["XGN00100","O1c2c(CC(O)C1(C)C)c(O)cc1OC(=O)C=Cc12"]
["XGN00102","O1c2cc(OC)c(O)cc2C=CC1=O"]
["XGN00103","O1c2c(cc(O)cc2)C=CC1=O"]
["XGN00107","O1c2c(C=CC1=O)cc1c(occ1)c2OC"]
["XGN00108","O1c2cc(OC\\C=C(\\C)/C)ccc2C=CC1=O"]
["XGN00114","O1CC1(CO)C1Oc2cc(O)c3c(N(c4c(cccc4)C3=O)C)c2C1"]
["XGN00124","O1CC(=CC1=O)\\C=C\\C1(C2CCC=C(C)C2(C)C(OC(=O)c2cccnc2)C(OC(=O)C(C)C)C1(O)C)C"]
["XGN00125","O1CC(=CC1=O)\\C=C\\C1(C2CCC=C(C)C2(C)C(OC(=O)c2ccccc2)C(OC(=O)c2cccnc2)C1(O)C)C"]
["XGN00132","O1C2(C)C(OC(=O)C)C(OC(=O)C)C3(C(C2(CCC12CC(OC2)=O)C)C(OC(=O)c1cccnc1)CC=C3C)C"]
["XGN00133","O1C2(C)C(OC(=O)C)C(OC(=O)c3cccnc3)C3(C(C2(CCC12CC(OC2)=O)C)C(CC=C3C)CC(=O)c1cccnc1)C"]
["XGN00134","O1C2(C)C(C3CCC=C(C)C3(C)C(OC(=O)c3cccnc3)C2OC(=O)C)(C)C(OC(=O)c2cccnc2)CC12CC(OC2)=O"]
["XGN00135","O1CC(=CC1=O)CC(OC(=O)C)C1(C2CCC=C(C)C2(C)C(OC(=O)c2cccnc2)C(OC(=O)C(C)C)C1(O)C)C"]
["XGN00136","O1C2(C)C(C3CCC=C(C)C3(C)C(OC(=O)c3cccnc3)C2OC(=O)c2cccnc2)(C)C(OC(=O)c2ccccc2)CC12CC(OC2)=O"]
["XGN00137","O1CC(=CC1=O)CC(OC(=O)C)C1(C2CCC=C(C)C2(C)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C1(O)C)C"]
["XGN00139","O1CC(=CC1=O)\\C=C\\C1(C2CCC=C(C)C2(C)C(OC(=O)c2cccnc2)C(OC(=O)C(OC(=O)C)C(C)C)C1(O)C)C"]
["XGN00141","O1C(=O)C(=CC1C\\C(=C\\COc1c2OC(=O)C=Cc2cc2c1occ2)\\C)C"]
["XGN00142","O1C(=O)C(=CC1C\\C(=C\\CCc1c2C=CC(Oc2cc2occc12)=O)\\C)C"]
["XGN00160","O1c2c(C(=O)C=C1c1ccc(O)cc1O)c(O)cc(O)c2"]
["XGS00001","O1C(=CC(OC)=CC1=O)\\C=C\\c1ccccc1OC"]
["XGS00002","O1C(=CC(OC)=CC1=O)\\C=C\\c1ccccc1"]
["XGS00003","O1C(=CC(OC)=CC1=O)\\C=C\\c1cc(OC)ccc1"]
["XGS00004","Clc1ccc(cc1)\\C=C\\C=1OC(=O)C=C(OC)C=1"]
["XGS00005","O1C(=CC(OC)=CC1=O)\\C=C\\c1ccc(N(C)C)cc1"]
["XGS00100","O1c2c(cc3OCOc3c2)C(=CC1=O)c1oc2c(c1)c(cnc2C)C[NH2+]CCOC"]
["XGS00101","O1C=C(Oc2ccc(cc2)C(OCCC)=O)C(=O)c2c1c(C[NH+]1CCN(CC1)CCO)c(O)cc2"]
["XGS00102","O1[C@H]2C=C[C@]13[C@@H]([C@H]2C(=O)NCc1cccnc1)C(=O)N(C3)c1ccc(NC(=O)C)cc1"]
["XGS00105","O1c2c(c(cc3OC(=O)C4=C(CCCC4)c23)C)C(=O)CC1c1cc(OC)c(O)cc1"]
["XGS00106","O1c2c(ccc(O)c2)C(C)=C(CC(=O)Nc2cc(NC(=O)C)ccc2)C1=O"]
["XGS00108","O1c2cc(ccc2OC1)-c1nc(cc2c1[nH]c1c2cccc1)C(=O)NCC(O)c1ccccc1"]
["XGS00117","Clc1cc(Cl)ccc1OC=1C(=O)c2c(OC=1C(F)(F)F)cc(OCC(=O)[O-])cc2"]
["XGS00128","Fc1cc(ccc1)C(=O)Nc1n(ncc1C(=O)Nc1ccc(F)cc1)-c1ccccc1"]
["XGS00131","s1cccc1[C@@H]1Nc2n(ncc2C(=O)Nc2cc(ccc2)[C@@H](O)C)[C@H](C1)C(F)(F)F"]
["XGS00142","Oc1cc(cc(O)c1C(C)C)\\C=C\\c1ccccc1"]
["XGS00143","Oc1cc(cc(O)c1C(C)C)\\C=C\\c1ccccc1O"]
["XGS00144","Oc1cc(cc(O)c1C(C)C)\\C=C\\c1cc(O)ccc1"]
["XGS00145","Oc1cc(cc(O)c1C(C)C)\\C=C\\c1ccc(O)cc1"]
["XGS00146","Clc1ccccc1\\C=C\\c1cc(O)c(C(C)C)c(O)c1"]
["XGS00147","Clc1cc(ccc1)\\C=C\\c1cc(O)c(C(C)C)c(O)c1"]
["XGS00148","Clc1ccc(cc1)\\C=C\\c1cc(O)c(C(C)C)c(O)c1"]
["XGS00153","Oc1cc(cc(O)c1C(C)C)\\C=C\\c1ccccc1C"]
["XGS00154","Oc1cc(cc(O)c1C(C)C)\\C=C\\c1cc(ccc1)C"]
["XGS00155","Oc1cc(cc(O)c1C(C)C)\\C=C\\c1ccc(cc1)C"]
["XGS00156","Clc1cc(ccc1)\\C=C\\c1cc(O)cc(O)c1"]
["XGS00157","Clc1cc(ccc1)\\C=C\\c1cc(O)c(O)c(O)c1"]
["XGS00158","Brc1c(O)cc(cc1O)\\C=C\\c1cc(Cl)ccc1"]
["XGS00159","Clc1cc(ccc1)\\C=C\\c1cc(O)c(-c2ccccc2)c(O)c1"]
["XGS00160","FC(F)(F)c1ccc(cc1)\\C=C\\c1cc(O)c(C(C)C)c(O)c1"]
["XOS00022","Clc1ccc(N2C3=C([C@H](C(C#N)=C2N)c2cc(OC)c(OC)cc2)C(=O)CCC3)cc1"]
["XOS00141","O=[N+]([O-])c1c[nH]nc1C=1C=Nc2nc(nn2C=1)N"]
["XOS00142","Fc1ccccc1Oc1ncnc(-n2ncc(C(OC)=O)c2N)c1"]
["XOS00144","S=C(Nc1cc2nc(oc2cc1)-c1cccnc1)NC(=O)c1occc1"]
["XOS00154","O(C)c1cc(ccc1)-c1nn2c(N=C(C(C#N)=C2N)c2cccnc2)c1"]