"molecule_id","FCFP4_1024b957","FCFP4_1024b695","FCFP4_1024b574","FCFP4_1024b693","FCFP4_1024b417","FCFP4_1024b71","FCFP4_1024b669","FCFP4_1024b1019","FCFP4_1024b198","FCFP4_1024b496","FCFP4_1024b800","FCFP4_1024b18","FCFP4_1024b521","FCFP4_1024b787","FCFP4_1024b826","FCFP4_1024b373","FCFP4_1024b547","FCFP4_1024b246","FCFP4_1024b702","FCFP4_1024b1","FCFP4_1024b10","FCFP4_1024b100","FCFP4_1024b1000","FCFP4_1024b1001","FCFP4_1024b1002","FCFP4_1024b1003","FCFP4_1024b1004","FCFP4_1024b1005","FCFP4_1024b1006","FCFP4_1024b1007","FCFP4_1024b1008","FCFP4_1024b1009","FCFP4_1024b101","FCFP4_1024b1010","FCFP4_1024b1011","FCFP4_1024b1012","FCFP4_1024b1013","FCFP4_1024b1014","FCFP4_1024b1015","FCFP4_1024b1016","FCFP4_1024b1017","FCFP4_1024b1018","FCFP4_1024b102","FCFP4_1024b1020","FCFP4_1024b1021","FCFP4_1024b1022","FCFP4_1024b1023","FCFP4_1024b1024","FCFP4_1024b103","FCFP4_1024b104","FCFP4_1024b105","FCFP4_1024b106","FCFP4_1024b107","FCFP4_1024b108","FCFP4_1024b109","FCFP4_1024b11","FCFP4_1024b110","FCFP4_1024b111","FCFP4_1024b112","FCFP4_1024b113","FCFP4_1024b114","FCFP4_1024b115","FCFP4_1024b116","FCFP4_1024b117","FCFP4_1024b118","FCFP4_1024b119","FCFP4_1024b12","FCFP4_1024b120","FCFP4_1024b121","FCFP4_1024b122","FCFP4_1024b123","FCFP4_1024b124","FCFP4_1024b125","FCFP4_1024b126","FCFP4_1024b127","FCFP4_1024b128","FCFP4_1024b129","FCFP4_1024b13","FCFP4_1024b130","FCFP4_1024b131","FCFP4_1024b132","FCFP4_1024b133","FCFP4_1024b134","FCFP4_1024b135","FCFP4_1024b136","FCFP4_1024b137","FCFP4_1024b138","FCFP4_1024b139","FCFP4_1024b14","FCFP4_1024b140","FCFP4_1024b141","FCFP4_1024b142","FCFP4_1024b143","FCFP4_1024b144","FCFP4_1024b145","FCFP4_1024b146","FCFP4_1024b147","FCFP4_1024b148","FCFP4_1024b149","FCFP4_1024b15","FCFP4_1024b150","FCFP4_1024b151","FCFP4_1024b152","FCFP4_1024b153","FCFP4_1024b154","FCFP4_1024b155","FCFP4_1024b156","FCFP4_1024b157","FCFP4_1024b158","FCFP4_1024b159","FCFP4_1024b16","FCFP4_1024b160","FCFP4_1024b161","FCFP4_1024b162","FCFP4_1024b163","FCFP4_1024b164","FCFP4_1024b165","FCFP4_1024b166","FCFP4_1024b167","FCFP4_1024b168","FCFP4_1024b169","FCFP4_1024b17","FCFP4_1024b170","FCFP4_1024b171","FCFP4_1024b172","FCFP4_1024b173","FCFP4_1024b174","FCFP4_1024b175","FCFP4_1024b176","FCFP4_1024b177","FCFP4_1024b178","FCFP4_1024b179","FCFP4_1024b180","FCFP4_1024b181","FCFP4_1024b182","FCFP4_1024b183","FCFP4_1024b184","FCFP4_1024b185","FCFP4_1024b186","FCFP4_1024b187","FCFP4_1024b188","FCFP4_1024b189","FCFP4_1024b19","FCFP4_1024b190","FCFP4_1024b191","FCFP4_1024b192","FCFP4_1024b193","FCFP4_1024b194","FCFP4_1024b195","FCFP4_1024b196","FCFP4_1024b197","FCFP4_1024b199","FCFP4_1024b2","FCFP4_1024b20","pXC50" {1 1,8 1,9 1,10 1,16 1,17 1,20 1,88 1,122 1,123 1,153 1,155 7.495} {0 CHEMBL110029,1 1,3 1,20 1,103 1,122 1,123 1,131 1,153 1,155 5.796} {0 CHEMBL110578,1 1,3 1,20 1,88 1,103 1,122 1,123 1,153 1,155 7.398} {0 CHEMBL110637,1 1,8 1,9 1,10 1,16 1,17 1,20 1,88 1,122 1,123 1,153 1,155 7.77} {0 CHEMBL112146,1 1,3 1,20 1,88 1,103 1,122 1,123 1,153 1,155 6.009} {0 CHEMBL112867,1 1,3 1,16 1,17 1,20 1,122 1,123 1,153 1,155 4.523} {0 CHEMBL112899,1 1,3 1,20 1,88 1,103 1,122 1,123 1,153 1,155 7.046} {0 CHEMBL112903,1 1,8 1,9 1,10 1,16 1,17 1,20 1,88 1,122 1,123 1,153 1,155 8.301} {0 CHEMBL113201,1 1,3 1,20 1,103 1,122 1,123 1,153 1,155 5.456} {0 CHEMBL113369,1 1,3 1,20 1,88 1,103 1,122 1,123 1,153 1,155 5.796} {0 CHEMBL113443,1 1,9 1,10 1,16 1,17 1,20 1,88 1,122 1,123 1,153 1,155 8.301} {0 CHEMBL113462,1 1,3 1,20 1,88 1,103 1,122 1,123 1,153 1,155 5.538} {0 CHEMBL113620,1 1,9 1,10 1,16 1,17 1,20 1,122 1,123 1,153 1,155 7.161} {0 CHEMBL114342,1 1,3 1,16 1,17 1,20 1,76 1,122 1,123 1,153 1,155 6.268} {0 CHEMBL114393,1 1,3 1,7 1,20 1,103 1,122 1,123 1,137 1,153 1,155 6.921} {0 CHEMBL167495,12 1,13 1,15 1,20 1,122 1,123 1,153 1,155 6.066} {0 CHEMBL189048,1 1,12 1,13 1,14 1,15 1,19 1,20 1,122 1,123 1,153 1,155 5.959} {0 CHEMBL189789,12 1,13 1,15 1,20 1,88 1,122 1,123 1,153 1,155 6.638} {0 CHEMBL189792,12 1,13 1,15 1,20 1,76 1,88 1,122 1,123 1,153 1,155 6.319} {0 CHEMBL189970,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.959} {0 CHEMBL190607,12 1,13 1,15 1,20 1,76 1,122 1,123 1,153 1,155 5.357} {0 CHEMBL191456,12 1,13 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 4.523} {0 CHEMBL191671,12 1,13 1,14 1,15 1,19 1,20 1,122 1,123 1,131 1,153 1,155 4.523} {0 CHEMBL192109,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.77} {0 CHEMBL192151,12 1,13 1,14 1,15 1,19 1,20 1,67 1,122 1,123 1,153 1,155 4.523} {0 CHEMBL192185,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 6.125} {0 CHEMBL192197,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 4.409} {0 CHEMBL192227,12 1,13 1,15 1,20 1,76 1,88 1,122 1,123 1,153 1,155 7.092} {0 CHEMBL192250,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 4.569} {0 CHEMBL192283,12 1,13 1,14 1,15 1,20 1,76 1,122 1,123 1,153 1,155 4.523} {0 CHEMBL192284,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 4.523} {0 CHEMBL192328,12 1,13 1,14 1,15 1,20 1,76 1,122 1,123 1,153 1,155 4.523} {0 CHEMBL192601,12 1,13 1,15 1,20 1,25 1,88 1,122 1,123 1,153 1,155 5.77} {0 CHEMBL192634,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 6.469} {0 CHEMBL192635,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 5.62} {0 CHEMBL192664,12 1,13 1,15 1,20 1,122 1,123 1,126 1,153 1,155 5.432} {0 CHEMBL192690,12 1,13 1,14 1,15 1,19 1,20 1,122 1,123 1,153 1,155 5.509} {0 CHEMBL192825,12 1,13 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 6.921} {0 CHEMBL192981,12 1,13 1,14 1,15 1,19 1,20 1,44 1,84 1,122 1,123 1,153 1,155 4.699} {0 CHEMBL193004,12 1,13 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 6.854} {0 CHEMBL193121,12 1,13 1,14 1,15 1,19 1,20 1,122 1,123 1,131 1,153 1,155 4.523} {0 CHEMBL193311,12 1,13 1,15 1,19 1,20 1,122 1,123 1,153 1,155 6.137} {0 CHEMBL193499,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.602} {0 CHEMBL193701,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.602} {0 CHEMBL193812,1 1,12 1,13 1,15 1,20 1,122 1,123 1,153 1,155 6.071} {0 CHEMBL193941,12 1,13 1,14 1,15 1,20 1,76 1,122 1,123 1,153 1,155 4.959} {0 CHEMBL194156,12 1,13 1,14 1,15 1,19 1,20 1,44 1,122 1,123 1,147 1,153 1,155 4.523} {0 CHEMBL194157,12 1,13 1,15 1,19 1,20 1,122 1,123 1,153 1,155 5.886} {0 CHEMBL194606,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 4.523} {0 CHEMBL195160,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.62} {0 CHEMBL195277,12 1,13 1,15 1,20 1,76 1,88 1,122 1,123 1,153 1,155 7.032} {0 CHEMBL195422,12 1,13 1,15 1,19 1,20 1,52 1,88 1,122 1,123 1,153 1,155 6.699} {0 CHEMBL195507,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.066} {0 CHEMBL195607,12 1,13 1,14 1,15 1,20 1,76 1,122 1,123 1,153 1,155 5.131} {0 CHEMBL195608,12 1,13 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 4.523} {0 CHEMBL195986,12 1,13 1,14 1,15 1,19 1,20 1,25 1,67 1,122 1,123 1,153 1,155 5.357} {0 CHEMBL196066,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.051} {0 CHEMBL196487,12 1,13 1,15 1,20 1,122 1,123 1,153 1,155 6.319} {0 CHEMBL196645,12 1,13 1,15 1,19 1,20 1,122 1,123 1,153 1,155 4.921} {0 CHEMBL196655,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 5.114} {0 CHEMBL196714,12 1,13 1,15 1,19 1,20 1,52 1,88 1,122 1,123 1,153 1,155 5.77} {0 CHEMBL196715,12 1,13 1,15 1,19 1,20 1,52 1,88 1,122 1,123 1,153 1,155 6.77} {0 CHEMBL196790,12 1,13 1,15 1,20 1,122 1,123 1,153 1,155 6.569} {0 CHEMBL196943,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 4.959} {0 CHEMBL197147,12 1,13 1,14 1,15 1,19 1,20 1,122 1,123 1,153 1,155 5.076} {0 CHEMBL197155,12 1,13 1,15 1,20 1,76 1,122 1,123 1,153 1,155 5.469} {0 CHEMBL197156,12 1,13 1,15 1,19 1,20 1,122 1,123 1,131 1,153 1,155 5.638} {0 CHEMBL197401,12 1,13 1,15 1,19 1,20 1,52 1,88 1,122 1,123 1,153 1,155 6.699} {0 CHEMBL197409,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.409} {0 CHEMBL197519,12 1,13 1,15 1,19 1,20 1,67 1,122 1,123 1,153 1,155 6.398} {0 CHEMBL2105423,6 1,7 1,8 1,11 1,19 1,20 1,67 1,68 1,122 1,123 1,146 1,152 1,153 1,154 1,155 6.764} {0 CHEMBL211922,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,40 1,68 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 6.086} {0 CHEMBL211924,1 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,44 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 8.268} {0 CHEMBL212033,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,25 1,40 1,68 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 7.569} {0 CHEMBL212856,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,40 1,68 1,76 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 6.027} {0 CHEMBL213568,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,25 1,40 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 8.131} {0 CHEMBL214646,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,25 1,40 1,68 1,88 1,98 1,103 1,104 1,122 1,123 1,152 1,153 1,154 1,155 7.06} {0 CHEMBL214922,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,40 1,68 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 6} {0 CHEMBL215399,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 7.215} {0 CHEMBL215509,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,68 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 6.284} {0 CHEMBL215510,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,40 1,68 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 6.602} {0 CHEMBL215928,1 1,2 1,3 1,6 1,7 1,12 1,13 1,14 1,15 1,20 1,68 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 6.237} {0 CHEMBL2169894,1 1,2 1,3 1,4 1,7 1,8 1,20 1,122 1,123 1,153 1,155 7.44} {0 CHEMBL2170603,1 1,2 1,3 1,4 1,7 1,8 1,20 1,122 1,123 1,153 1,155 7.538} {0 CHEMBL2170604,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,20 1,42 1,67 1,122 1,123 1,153 1,155 6.697} {0 CHEMBL2170605,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,20 1,67 1,122 1,123 1,153 1,155 6.896} {0 CHEMBL2170606,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,20 1,67 1,122 1,123 1,153 1,155 7.328} {0 CHEMBL2170607,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,20 1,67 1,90 1,122 1,123 1,153 1,155 7.549} {0 CHEMBL2170608,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,20 1,67 1,122 1,123 1,153 1,155 7.319} {0 CHEMBL2170609,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,20 1,67 1,122 1,123 1,153 1,155 7.734} {0 CHEMBL2170610,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,20 1,67 1,122 1,123 1,153 1,155 7.509} {0 CHEMBL2170611,1 1,2 1,3 1,4 1,5 1,7 1,8 1,20 1,67 1,122 1,123 1,153 1,155 7.553} {0 CHEMBL2170612,1 1,2 1,3 1,4 1,5 1,7 1,8 1,20 1,67 1,76 1,122 1,123 1,140 1,153 1,155 6.365} {0 CHEMBL2170613,1 1,2 1,3 1,4 1,6 1,7 1,8 1,20 1,122 1,123 1,153 1,155 6.575} {0 CHEMBL2170614,1 1,2 1,3 1,4 1,6 1,7 1,8 1,20 1,122 1,123 1,153 1,155 6.724} {0 CHEMBL2170615,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,122 1,123 1,153 1,155 7.746} {0 CHEMBL2170616,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,15 1,20 1,67 1,119 1,122 1,123 1,153 1,155 6.939} {0 CHEMBL2170617,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,13 1,20 1,67 1,72 1,82 1,122 1,123 1,153 1,155 6.955} {0 CHEMBL2170618,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,13 1,15 1,20 1,67 1,68 1,122 1,123 1,153 1,155 7.477} {0 CHEMBL2170619,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,76 1,122 1,123 1,153 1,155 6.591} {0 CHEMBL2170620,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,54 1,67 1,95 1,122 1,123 1,153 1,155 6.67} {0 CHEMBL2170621,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,122 1,123 1,153 1,155 7.208} {0 CHEMBL2170622,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,54 1,67 1,86 1,122 1,123 1,153 1,155 7.29} {0 CHEMBL2170623,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,21 1,67 1,122 1,123 1,135 1,153 1,155 6.618} {0 CHEMBL2170624,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,12 1,20 1,67 1,90 1,122 1,123 1,153 1,155 6.381} {0 CHEMBL2170625,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,20 1,67 1,76 1,122 1,123 1,153 1,155 6.656} {0 CHEMBL2170626,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,13 1,14 1,15 1,18 1,20 1,25 1,56 1,67 1,68 1,122 1,123 1,153 1,155 6.452} {0 CHEMBL2170627,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,13 1,18 1,20 1,67 1,68 1,82 1,122 1,123 1,153 1,155 6.772} {0 CHEMBL2170628,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,122 1,123 1,140 1,153 1,155 6.86} {0 CHEMBL2170629,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,21 1,67 1,86 1,122 1,123 1,153 1,155 6.818} {0 CHEMBL2170630,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,21 1,67 1,86 1,122 1,123 1,153 1,155 6.955} {0 CHEMBL2170631,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,21 1,67 1,86 1,122 1,123 1,153 1,155 6.699} {0 CHEMBL2170632,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,122 1,123 1,153 1,155 7.428} {0 CHEMBL2170633,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,122 1,123 1,153 1,155 7.262} {0 CHEMBL2170634,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,122 1,123 1,153 1,155 6.57} {0 CHEMBL2170635,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,13 1,18 1,20 1,67 1,122 1,123 1,153 1,155 7.45} {0 CHEMBL2170636,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,13 1,18 1,20 1,67 1,122 1,123 1,153 1,155 7.62} {0 CHEMBL2170637,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,13 1,15 1,20 1,67 1,86 1,122 1,123 1,153 1,155 7.424} {0 CHEMBL2170638,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,122 1,123 1,153 1,155 7.515} {0 CHEMBL2170639,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,13 1,18 1,20 1,67 1,122 1,123 1,153 1,155 7.662} {0 CHEMBL2170640,3 1,6 1,7 1,8 1,19 1,20 1,67 1,68 1,122 1,123 1,146 1,152 1,153 1,154 1,155 6.022} {0 CHEMBL2170641,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,20 1,67 1,68 1,122 1,123 1,146 1,152 1,153 1,154 1,155 6.618} {0 CHEMBL2170642,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,122 1,123 1,153 1,155 6.963} {0 CHEMBL2170643,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,88 1,122 1,123 1,153 1,155 6.849} {0 CHEMBL2170644,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,122 1,123 1,153 1,155 6.382} {0 CHEMBL2170645,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,88 1,122 1,123 1,153 1,155 5.947} {0 CHEMBL2170646,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,88 1,122 1,123 1,153 1,155 6.21} {0 CHEMBL2170647,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,88 1,122 1,123 1,153 1,155 6.636} {0 CHEMBL2170648,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,14 1,18 1,20 1,67 1,122 1,123 1,153 1,155 5.164} {0 CHEMBL2170649,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,13 1,14 1,15 1,18 1,20 1,56 1,67 1,68 1,122 1,123 1,153 1,155 6.713} {0 CHEMBL2170650,3 1,6 1,7 1,8 1,19 1,20 1,67 1,68 1,122 1,123 1,146 1,152 1,153 1,154 1,155 5.8} {0 CHEMBL2170651,3 1,6 1,7 1,8 1,19 1,20 1,67 1,68 1,122 1,123 1,146 1,152 1,153 1,154 1,155 5.459} {0 CHEMBL217698,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,25 1,40 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 8.187} {0 CHEMBL231784,12 1,13 1,14 1,15 1,20 1,24 1,88 1,122 1,123 1,153 1,155 5.523} {0 CHEMBL231926,12 1,13 1,14 1,15 1,20 1,44 1,88 1,122 1,123 1,153 1,155 5.921} {0 CHEMBL231927,12 1,13 1,14 1,15 1,20 1,44 1,76 1,122 1,123 1,153 1,155 6.824} {0 CHEMBL231929,12 1,13 1,14 1,15 1,20 1,25 1,44 1,122 1,123 1,153 1,155 6.114} {0 CHEMBL231982,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 4.523} {0 CHEMBL232124,12 1,13 1,14 1,15 1,20 1,44 1,88 1,122 1,123 1,153 1,155 6.824} {0 CHEMBL232179,12 1,13 1,15 1,20 1,88 1,122 1,123 1,153 1,155 4.523} {0 CHEMBL232180,12 1,13 1,15 1,20 1,76 1,88 1,122 1,123 1,153 1,155 4.481} {0 CHEMBL232355,12 1,13 1,15 1,20 1,44 1,76 1,88 1,122 1,123 1,153 1,155 6.921} {0 CHEMBL232558,12 1,13 1,15 1,20 1,88 1,97 1,122 1,123 1,153 1,155 6.886} {0 CHEMBL232744,12 1,13 1,15 1,20 1,25 1,44 1,122 1,123 1,153 1,155 7.143} {0 CHEMBL232748,12 1,13 1,15 1,20 1,76 1,88 1,97 1,122 1,123 1,153 1,155 8} {0 CHEMBL232940,12 1,13 1,15 1,20 1,44 1,76 1,88 1,122 1,123 1,153 1,155 7.824} {0 CHEMBL232974,12 1,13 1,14 1,15 1,20 1,97 1,122 1,123 1,153 1,155 7.62} {0 CHEMBL232975,12 1,13 1,14 1,15 1,20 1,88 1,97 1,122 1,123 1,153 1,155 6.638} {0 CHEMBL232976,12 1,13 1,14 1,15 1,20 1,76 1,88 1,122 1,123 1,153 1,155 5.252} {0 CHEMBL233154,12 1,13 1,14 1,15 1,20 1,88 1,122 1,123 1,153 1,155 6.921} {0 CHEMBL233352,12 1,13 1,14 1,15 1,20 1,53 1,103 1,122 1,123 1,153 1,155 4.854} {0 CHEMBL233353,12 1,13 1,15 1,20 1,53 1,88 1,103 1,122 1,123 1,153 1,155 5.208} {0 CHEMBL233354,12 1,13 1,15 1,20 1,53 1,76 1,88 1,103 1,122 1,123 1,153 1,155 5.347} {0 CHEMBL233778,12 1,13 1,15 1,20 1,53 1,54 1,88 1,122 1,123 1,153 1,155 7.018} {0 CHEMBL233779,3 1,7 1,12 1,13 1,14 1,15 1,20 1,88 1,122 1,123 1,153 1,155 5.292} {0 CHEMBL233780,3 1,7 1,12 1,13 1,14 1,15 1,20 1,88 1,122 1,123 1,153 1,155 4.796} {0 CHEMBL263960,12 1,13 1,14 1,15 1,19 1,20 1,122 1,123 1,153 1,155 5.292} {0 CHEMBL297962,1 1,9 1,10 1,16 1,17 1,20 1,88 1,122 1,123 1,153 1,155 7.766} {0 CHEMBL298358,1 1,2 1,7 1,12 1,13 1,15 1,20 1,122 1,123 1,137 1,152 1,153 1,154 1,155 4.523} {0 CHEMBL299011,1 1,7 1,12 1,13 1,15 1,20 1,44 1,68 1,122 1,123 1,137 1,152 1,153 1,154 1,155 5.585} {0 CHEMBL299212,1 1,12 1,20 1,44 1,115 1,122 1,123 1,155 4.523} {0 CHEMBL299442,1 1,7 1,12 1,13 1,15 1,20 1,44 1,122 1,123 1,137 1,153 1,155 4.523} {0 CHEMBL299962,1 1,12 1,13 1,20 1,82 1,88 1,122 1,123 1,153 1,155 5.314} {0 CHEMBL301068,1 1,7 1,12 1,13 1,15 1,20 1,44 1,122 1,123 1,137 1,152 1,153 1,154 1,155 5.42} {0 CHEMBL301286,1 1,2 1,12 1,13 1,15 1,20 1,68 1,122 1,123 1,152 1,154 1,155 6.022} {0 CHEMBL301321,1 1,12 1,13 1,15 1,20 1,44 1,122 1,123 1,155 4.523} {0 CHEMBL321198,1 1,9 1,10 1,16 1,17 1,20 1,76 1,122 1,123 1,153 1,155 7.921} {0 CHEMBL331141,1 1,3 1,20 1,88 1,103 1,122 1,123 1,153 1,155 6.553} {0 CHEMBL333603,1 1,3 1,20 1,103 1,122 1,123 1,131 1,153 1,155 4.523} {0 CHEMBL352933,12 1,15 1,20 1,122 1,123 1,153 1,155 6.081} {0 CHEMBL354137,1 1,3 1,12 1,15 1,20 1,122 1,123 1,153 1,155 6.796} {0 CHEMBL355071,1 1,3 1,12 1,15 1,20 1,122 1,123 1,153 1,155 6.456} {0 CHEMBL355862,1 1,3 1,12 1,13 1,15 1,20 1,122 1,123 1,153 1,155 7.229} {0 CHEMBL363344,7 1,12 1,13 1,15 1,20 1,88 1,122 1,123 1,153 1,155 6.854} {0 CHEMBL364681,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.102} {0 CHEMBL364731,12 1,13 1,15 1,20 1,76 1,122 1,123 1,153 1,155 4.523} {0 CHEMBL364735,12 1,13 1,14 1,15 1,20 1,25 1,122 1,123 1,153 1,155 5.222} {0 CHEMBL364923,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 4.824} {0 CHEMBL364926,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.456} {0 CHEMBL365153,8 1,12 1,13 1,15 1,20 1,25 1,122 1,123 1,153 1,155 5.523} {0 CHEMBL366227,12 1,13 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.886} {0 CHEMBL366228,12 1,13 1,15 1,20 1,25 1,122 1,123 1,153 1,155 6.187} {0 CHEMBL370216,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.377} {0 CHEMBL370954,12 1,13 1,14 1,15 1,20 1,76 1,122 1,123 1,153 1,155 5.638} {0 CHEMBL371454,12 1,13 1,15 1,19 1,20 1,21 1,86 1,122 1,123 1,153 1,155 5.699} {0 CHEMBL371801,12 1,13 1,15 1,20 1,88 1,122 1,123 1,153 1,155 6.886} {0 CHEMBL372051,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 5.854} {0 CHEMBL372360,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 4.523} {0 CHEMBL372839,12 1,13 1,14 1,15 1,20 1,25 1,122 1,123 1,153 1,155 5.469} {0 CHEMBL373301,12 1,13 1,14 1,15 1,19 1,20 1,44 1,122 1,123 1,147 1,153 1,155 4.523} {0 CHEMBL373324,7 1,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 5.585} {0 CHEMBL376979,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,25 1,40 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 7.678} {0 CHEMBL378339,1 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,68 1,88 1,98 1,104 1,122 1,123 1,153 1,155 4.959} {0 CHEMBL379871,1 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,40 1,53 1,61 1,68 1,88 1,98 1,103 1,104 1,122 1,123 1,152 1,153 1,154 1,155 5.721} {0 CHEMBL380382,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 7.387} {0 CHEMBL384143,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,21 1,25 1,40 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 8.337} {0 CHEMBL384410,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,68 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 5.066} {0 CHEMBL384466,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 7.215} {0 CHEMBL385944,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,40 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 7.824} {0 CHEMBL391171,12 1,13 1,15 1,20 1,44 1,88 1,122 1,123 1,153 1,155 6.387} {0 CHEMBL392093,3 1,7 1,12 1,13 1,15 1,20 1,88 1,122 1,123 1,153 1,155 9.319} {0 CHEMBL392311,3 1,7 1,12 1,13 1,15 1,20 1,88 1,122 1,123 1,153 1,155 6.319} {0 CHEMBL394633,12 1,13 1,15 1,20 1,44 1,88 1,122 1,123 1,153 1,155 8.097} {0 CHEMBL395395,12 1,13 1,14 1,15 1,20 1,88 1,122 1,123 1,153 1,155 4.523} {0 CHEMBL395667,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 6.921} {0 CHEMBL395897,12 1,13 1,15 1,20 1,88 1,122 1,123 1,153 1,155 8.046} {0 CHEMBL395898,12 1,13 1,15 1,20 1,76 1,88 1,122 1,123 1,153 1,155 7.921} {0 CHEMBL395900,12 1,13 1,14 1,15 1,20 1,53 1,54 1,88 1,122 1,123 1,153 1,155 6.086} {0 CHEMBL396615,12 1,13 1,14 1,15 1,20 1,88 1,97 1,122 1,123 1,153 1,155 7.62} {0 CHEMBL396616,12 1,13 1,14 1,15 1,20 1,53 1,54 1,122 1,123 1,153 1,155 6.086} {0 CHEMBL397141,12 1,13 1,15 1,20 1,88 1,97 1,122 1,123 1,153 1,155 7.796} {0 CHEMBL398143,12 1,13 1,14 1,15 1,20 1,44 1,122 1,123 1,153 1,155 5.638} {0 CHEMBL398144,12 1,13 1,14 1,15 1,20 1,44 1,122 1,123 1,153 1,155 6.62} {0 CHEMBL419578,1 1,9 1,10 1,16 1,17 1,20 1,88 1,122 1,123 1,153 1,155 8.523} {0 CHEMBL424813,12 1,13 1,14 1,15 1,19 1,20 1,67 1,122 1,123 1,153 1,155 5.699} {0 CHEMBL425073,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 6.456} {0 CHEMBL425186,12 1,13 1,14 1,15 1,19 1,20 1,122 1,123 1,131 1,153 1,155 5.638} {0 CHEMBL425378,12 1,13 1,15 1,19 1,20 1,122 1,123 1,153 1,155 6.509} {0 CHEMBL425565,12 1,13 1,14 1,15 1,19 1,20 1,122 1,123 1,153 1,155 6.167} {0 CHEMBL427551,12 1,13 1,15 1,19 1,20 1,44 1,122 1,123 1,153 1,155 4.523} {0 CHEMBL436285,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.252} {0 CHEMBL436322,12 1,13 1,15 1,19 1,20 1,25 1,67 1,88 1,122 1,123 1,153 1,155 4.523} {0 CHEMBL436559,1 1,8 1,20 1,122 1,123 1,153 1,155 5.469} {0 CHEMBL439854,12 1,13 1,14 1,15 1,19 1,20 1,25 1,67 1,122 1,123 1,153 1,155 5.027} {0 CHEMBL440029,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 5.357} {0 CHEMBL441127,12 1,13 1,14 1,15 1,20 1,44 1,88 1,122 1,123 1,153 1,155 6.167} {0 CHEMBL443584,12 1,13 1,14 1,15 1,20 1,53 1,88 1,103 1,122 1,123 1,153 1,155 4.854} {0 CHEMBL448886,12 1,13 1,14 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 5.347} {0 CHEMBL448948,12 1,13 1,14 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 4.523} {0 CHEMBL450633,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,40 1,68 1,76 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 6.456} {0 CHEMBL452446,12 1,13 1,15 1,20 1,88 1,117 1,122 1,123 1,153 1,155 7.143} {0 CHEMBL460929,12 1,13 1,14 1,15 1,20 1,68 1,122 1,123 1,152 1,153 1,154 1,155 4.523} {0 CHEMBL460930,12 1,13 1,15 1,20 1,25 1,68 1,122 1,123 1,152 1,153 1,154 1,155 5.959} {0 CHEMBL460931,8 1,12 1,13 1,15 1,20 1,25 1,68 1,122 1,123 1,152 1,153 1,154 1,155 5.301} {0 CHEMBL461810,12 1,13 1,14 1,15 1,20 1,68 1,122 1,123 1,152 1,153 1,154 1,155 5.62} {0 CHEMBL461982,12 1,13 1,14 1,15 1,20 1,25 1,68 1,122 1,123 1,152 1,153 1,154 1,155 4.921} {0 CHEMBL462831,1 1,8 1,20 1,122 1,123 1,153 1,155 5.921} {0 CHEMBL462832,12 1,13 1,14 1,15 1,20 1,68 1,122 1,123 1,152 1,153 1,154 1,155 4.921} {0 CHEMBL472948,12 1,13 1,14 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 5.347} {0 CHEMBL472949,12 1,13 1,14 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 4.523} {0 CHEMBL473146,12 1,13 1,14 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 5.18} {0 CHEMBL473758,12 1,13 1,14 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 5.854} {0 CHEMBL473950,12 1,13 1,14 1,15 1,20 1,68 1,76 1,122 1,123 1,152 1,153 1,154 1,155 4.523} {0 CHEMBL473951,12 1,13 1,14 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 5.143} {0 CHEMBL473960,12 1,13 1,14 1,15 1,20 1,68 1,76 1,122 1,123 1,152 1,153 1,154 1,155 5.387} {0 CHEMBL474945,12 1,13 1,14 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 6.301} {0 CHEMBL474946,12 1,13 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 7} {0 CHEMBL490553,12 1,13 1,15 1,20 1,68 1,76 1,88 1,122 1,123 1,152 1,153 1,154 1,155 6.097} {0 CHEMBL490554,12 1,13 1,14 1,15 1,20 1,117 1,122 1,123 1,153 1,155 5.086} {0 CHEMBL490898,12 1,13 1,14 1,15 1,20 1,25 1,117 1,122 1,123 1,153 1,155 5.18} {0 CHEMBL490954,12 1,13 1,15 1,20 1,117 1,122 1,123 1,153 1,155 6.051} {0 CHEMBL491139,12 1,13 1,15 1,20 1,88 1,117 1,122 1,123 1,153 1,155 5.553} {0 CHEMBL491155,12 1,13 1,15 1,20 1,68 1,76 1,88 1,122 1,123 1,152 1,153 1,154 1,155 6.62} {0 CHEMBL491313,12 1,13 1,15 1,20 1,117 1,122 1,123 1,153 1,155 5.481} {0 CHEMBL491314,12 1,13 1,14 1,15 1,20 1,88 1,117 1,122 1,123 1,153 1,155 5.77} {0 CHEMBL491315,12 1,13 1,14 1,15 1,20 1,88 1,117 1,122 1,123 1,153 1,155 4.523} {0 CHEMBL491488,8 1,12 1,13 1,15 1,20 1,25 1,117 1,122 1,123 1,153 1,155 5.149} {0 CHEMBL49235,1 1,12 1,13 1,15 1,20 1,44 1,122 1,123 1,152 1,154 1,155 6.745} {0 CHEMBL50529,1 1,12 1,13 1,15 1,20 1,44 1,122 1,123 1,155 5.444} {0 CHEMBL50670,1 1,7 1,12 1,13 1,20 1,44 1,122 1,123 1,137 1,153 1,155 4.523} {0 CHEMBL50671,1 1,12 1,13 1,15 1,20 1,44 1,88 1,122 1,123 1,155 5.097} {0 CHEMBL506782,12 1,13 1,14 1,15 1,20 1,68 1,76 1,122 1,123 1,152 1,153 1,154 1,155 5.509} {0 CHEMBL506832,12 1,13 1,14 1,15 1,20 1,88 1,117 1,122 1,123 1,153 1,155 5.377} {0 CHEMBL50955,1 1,2 1,7 1,12 1,13 1,15 1,20 1,68 1,122 1,123 1,137 1,152 1,153 1,154 1,155 4.959} {0 CHEMBL51010,1 1,7 1,12 1,13 1,20 1,82 1,122 1,123 1,137 1,153 1,155 5} {0 CHEMBL51363,1 1,9 1,10 1,16 1,17 1,20 1,122 1,123 1,153 1,155 8.222} {0 CHEMBL514145,12 1,13 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 5.523} {0 CHEMBL514807,12 1,13 1,15 1,20 1,68 1,122 1,123 1,152 1,153 1,154 1,155 6.284} {0 CHEMBL515105,12 1,13 1,14 1,15 1,20 1,68 1,76 1,122 1,123 1,152 1,153 1,154 1,155 5.678} {0 CHEMBL516366,12 1,13 1,14 1,15 1,20 1,68 1,76 1,122 1,123 1,152 1,153 1,154 1,155 4.523} {0 CHEMBL516367,12 1,13 1,15 1,20 1,68 1,122 1,123 1,152 1,153 1,154 1,155 5.569} {0 CHEMBL51727,1 1,12 1,13 1,15 1,20 1,44 1,88 1,122 1,123 1,152 1,154 1,155 6.125} {0 CHEMBL517433,12 1,13 1,14 1,15 1,20 1,68 1,122 1,123 1,152 1,153 1,154 1,155 4.523} {0 CHEMBL517986,7 1,12 1,13 1,15 1,20 1,43 1,44 1,104 1,122 1,153 1,155 6.097} {0 CHEMBL51879,1 1,7 1,9 1,10 1,16 1,17 1,20 1,122 1,123 1,137 1,153 1,155 8.046} {0 CHEMBL51950,1 1,12 1,13 1,15 1,20 1,44 1,68 1,122 1,123 1,152 1,154 1,155 8.097} {0 CHEMBL52345,1 1,2 1,12 1,13 1,15 1,20 1,122 1,123 1,152 1,154 1,155 5.398} {0 CHEMBL523484,12 1,13 1,15 1,20 1,25 1,117 1,122 1,123 1,153 1,155 6.658} {0 CHEMBL52381,1 1,12 1,13 1,15 1,20 1,44 1,68 1,88 1,122 1,123 1,152 1,154 1,155 7.409} {0 CHEMBL64360,8 1,12 1,20 1,122 1,123 1,153 1,155 6.42} {0 CHEMBL945,12 1,13 1,15 1,20 1,44 1,76 1,122 1,153 1,155 4.222}