@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL321

@attribute molecule_id {CHEMBL100081,CHEMBL100134,CHEMBL100146,CHEMBL100280,CHEMBL100512,CHEMBL100564,CHEMBL100570,CHEMBL100584,CHEMBL100754,CHEMBL100777,CHEMBL100805,CHEMBL100950,CHEMBL101121,CHEMBL101210,CHEMBL101413,CHEMBL101612,CHEMBL101789,CHEMBL101864,CHEMBL101981,CHEMBL102057,CHEMBL102415,CHEMBL102438,CHEMBL102441,CHEMBL102459,CHEMBL102504,CHEMBL102698,CHEMBL102785,CHEMBL102798,CHEMBL103418,CHEMBL103442,CHEMBL103563,CHEMBL104021,CHEMBL104022,CHEMBL104446,CHEMBL10454,CHEMBL104599,CHEMBL104722,CHEMBL105142,CHEMBL105279,CHEMBL105311,CHEMBL105422,CHEMBL105535,CHEMBL105962,CHEMBL106016,CHEMBL106889,CHEMBL1077203,CHEMBL1078281,CHEMBL1078396,CHEMBL1082317,CHEMBL1082318,CHEMBL1082370,CHEMBL1082371,CHEMBL1082381,CHEMBL1082966,CHEMBL1083322,CHEMBL1083906,CHEMBL1083907,CHEMBL1083931,CHEMBL1083932,CHEMBL108412,CHEMBL1084206,CHEMBL1084208,CHEMBL1084209,CHEMBL1084220,CHEMBL1084221,CHEMBL1084238,CHEMBL1084509,CHEMBL1084510,CHEMBL108494,CHEMBL1085257,CHEMBL1085263,CHEMBL1085602,CHEMBL1088878,CHEMBL1089842,CHEMBL1089843,CHEMBL1090035,CHEMBL1090283,CHEMBL1090284,CHEMBL1090647,CHEMBL1092104,CHEMBL109214,CHEMBL109353,CHEMBL1093689,CHEMBL1093690,CHEMBL109579,CHEMBL109603,CHEMBL109655,CHEMBL109770,CHEMBL109806,CHEMBL109861,CHEMBL110750,CHEMBL110970,CHEMBL111179,CHEMBL111257,CHEMBL111450,CHEMBL111678,CHEMBL111856,CHEMBL11306,CHEMBL114357,CHEMBL114804,CHEMBL114878,CHEMBL115082,CHEMBL115145,CHEMBL115189,CHEMBL115263,CHEMBL115460,CHEMBL115653,CHEMBL115712,CHEMBL115727,CHEMBL115774,CHEMBL1160685,CHEMBL1160686,CHEMBL116318,CHEMBL1163444,CHEMBL1163454,CHEMBL1163455,CHEMBL1163867,CHEMBL1163869,CHEMBL116438,CHEMBL1164630,CHEMBL1164826,CHEMBL1165106,CHEMBL1165150,CHEMBL1165152,CHEMBL1165241,CHEMBL1165574,CHEMBL1165627,CHEMBL116944,CHEMBL1169492,CHEMBL117225,CHEMBL117296,CHEMBL117720,CHEMBL118497,CHEMBL118744,CHEMBL118848,CHEMBL120049,CHEMBL1204013,CHEMBL120934,CHEMBL121501,CHEMBL121559,CHEMBL121592,CHEMBL121729,CHEMBL121916,CHEMBL122109,CHEMBL122651,CHEMBL122711,CHEMBL122719,CHEMBL122831,CHEMBL122836,CHEMBL122868,CHEMBL122925,CHEMBL122950,CHEMBL1229868,CHEMBL123041,CHEMBL123064,CHEMBL123105,CHEMBL123167,CHEMBL123233,CHEMBL123320,CHEMBL123382,CHEMBL123404,CHEMBL1234370,CHEMBL123443,CHEMBL123463,CHEMBL123499,CHEMBL123503,CHEMBL123563,CHEMBL123615,CHEMBL123627,CHEMBL123775,CHEMBL123967,CHEMBL124026,CHEMBL124100,CHEMBL124237,CHEMBL124265,CHEMBL124514,CHEMBL124558,CHEMBL124680,CHEMBL124681,CHEMBL125068,CHEMBL125104,CHEMBL125138,CHEMBL125281,CHEMBL125302,CHEMBL125384,CHEMBL125598,CHEMBL125601,CHEMBL125755,CHEMBL125901,CHEMBL126044,CHEMBL126380,CHEMBL126388,CHEMBL126461,CHEMBL126711,CHEMBL126712,CHEMBL126923,CHEMBL126977,CHEMBL1269994,CHEMBL127035,CHEMBL127093,CHEMBL127138,CHEMBL127168,CHEMBL127559,CHEMBL127787,CHEMBL127867,CHEMBL1287851,CHEMBL1305393,CHEMBL132928,CHEMBL133028,CHEMBL133259,CHEMBL133314,CHEMBL133369,CHEMBL134640,CHEMBL134782,CHEMBL134849,CHEMBL134908,CHEMBL135034,CHEMBL135075,CHEMBL135177,CHEMBL135251,CHEMBL135499,CHEMBL135590,CHEMBL135696,CHEMBL135766,CHEMBL135783,CHEMBL135886,CHEMBL135931,CHEMBL135983,CHEMBL136353,CHEMBL1370,CHEMBL137013,CHEMBL137065,CHEMBL137297,CHEMBL137315,CHEMBL137323,CHEMBL137365,CHEMBL137383,CHEMBL137406,CHEMBL137646,CHEMBL137703,CHEMBL137732,CHEMBL13826,CHEMBL138594,CHEMBL13927,CHEMBL13965,CHEMBL13974,CHEMBL140152,CHEMBL140970,CHEMBL141080,CHEMBL1427458,CHEMBL143451,CHEMBL144049,CHEMBL144081,CHEMBL144320,CHEMBL144548,CHEMBL145,CHEMBL146289,CHEMBL146718,CHEMBL146896,CHEMBL147489,CHEMBL147604,CHEMBL147881,CHEMBL147882,CHEMBL148118,CHEMBL148169,CHEMBL148171,CHEMBL148214,CHEMBL148406,CHEMBL151,CHEMBL151741,CHEMBL152104,CHEMBL1532097,CHEMBL154438,CHEMBL154706,CHEMBL154828,CHEMBL154999,CHEMBL155134,CHEMBL155815,CHEMBL155848,CHEMBL155874,CHEMBL155923,CHEMBL155959,CHEMBL157243,CHEMBL157289,CHEMBL157363,CHEMBL157592,CHEMBL15763,CHEMBL157704,CHEMBL157705,CHEMBL158366,CHEMBL158571,CHEMBL158622,CHEMBL158625,CHEMBL158674,CHEMBL158696,CHEMBL158739,CHEMBL158798,CHEMBL158823,CHEMBL159013,CHEMBL159033,CHEMBL159141,CHEMBL159159,CHEMBL159229,CHEMBL15962,CHEMBL15964,CHEMBL159645,CHEMBL160153,CHEMBL160232,CHEMBL160245,CHEMBL160305,CHEMBL160461,CHEMBL160465,CHEMBL160667,CHEMBL160712,CHEMBL16087,CHEMBL160940,CHEMBL160969,CHEMBL16099,CHEMBL16115,CHEMBL16118,CHEMBL161224,CHEMBL161536,CHEMBL161562,CHEMBL161572,CHEMBL162072,CHEMBL162128,CHEMBL1627009,CHEMBL1630091,CHEMBL16398,CHEMBL16487,CHEMBL16505,CHEMBL1651842,CHEMBL1651843,CHEMBL1651844,CHEMBL1651845,CHEMBL1651846,CHEMBL1651847,CHEMBL1651848,CHEMBL1651849,CHEMBL16519,CHEMBL16520,CHEMBL16554,CHEMBL16595,CHEMBL16630,CHEMBL16650,CHEMBL166564,CHEMBL167232,CHEMBL167233,CHEMBL167278,CHEMBL168601,CHEMBL168802,CHEMBL169084,CHEMBL16933,CHEMBL169996,CHEMBL170103,CHEMBL170315,CHEMBL170429,CHEMBL17082,CHEMBL171292,CHEMBL171466,CHEMBL171949,CHEMBL171962,CHEMBL171986,CHEMBL172180,CHEMBL172181,CHEMBL172249,CHEMBL172415,CHEMBL172548,CHEMBL172722,CHEMBL172874,CHEMBL172885,CHEMBL172886,CHEMBL173027,CHEMBL173075,CHEMBL173235,CHEMBL173316,CHEMBL173326,CHEMBL173382,CHEMBL173533,CHEMBL173686,CHEMBL173744,CHEMBL173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@attribute FCFP4_1024b817 numeric
@attribute FCFP4_1024b162 numeric
@attribute FCFP4_1024b781 numeric
@attribute FCFP4_1024b389 numeric
@attribute FCFP4_1024b385 numeric
@attribute FCFP4_1024b650 numeric
@attribute FCFP4_1024b746 numeric
@attribute FCFP4_1024b300 numeric
@attribute FCFP4_1024b652 numeric
@attribute FCFP4_1024b632 numeric
@attribute FCFP4_1024b826 numeric
@attribute FCFP4_1024b351 numeric
@attribute FCFP4_1024b71 numeric
@attribute FCFP4_1024b947 numeric
@attribute FCFP4_1024b173 numeric
@attribute FCFP4_1024b846 numeric
@attribute FCFP4_1024b983 numeric
@attribute FCFP4_1024b380 numeric
@attribute FCFP4_1024b89 numeric
@attribute FCFP4_1024b794 numeric
@attribute FCFP4_1024b645 numeric
@attribute FCFP4_1024b451 numeric
@attribute FCFP4_1024b581 numeric
@attribute FCFP4_1024b644 numeric
@attribute FCFP4_1024b844 numeric
@attribute FCFP4_1024b521 numeric
@attribute FCFP4_1024b702 numeric
@attribute FCFP4_1024b8 numeric
@attribute FCFP4_1024b957 numeric
@attribute FCFP4_1024b10 numeric
@attribute FCFP4_1024b437 numeric
@attribute FCFP4_1024b152 numeric
@attribute FCFP4_1024b271 numeric
@attribute FCFP4_1024b65 numeric
@attribute FCFP4_1024b20 numeric
@attribute FCFP4_1024b589 numeric
@attribute FCFP4_1024b643 numeric
@attribute FCFP4_1024b86 numeric
@attribute FCFP4_1024b600 numeric
@attribute FCFP4_1024b625 numeric
@attribute FCFP4_1024b18 numeric
@attribute FCFP4_1024b431 numeric
@attribute FCFP4_1024b623 numeric
@attribute FCFP4_1024b942 numeric
@attribute FCFP4_1024b128 numeric
@attribute FCFP4_1024b376 numeric
@attribute FCFP4_1024b88 numeric
@attribute FCFP4_1024b680 numeric
@attribute FCFP4_1024b512 numeric
@attribute FCFP4_1024b245 numeric
@attribute FCFP4_1024b177 numeric
@attribute FCFP4_1024b257 numeric
@attribute FCFP4_1024b108 numeric
@attribute FCFP4_1024b135 numeric
@attribute FCFP4_1024b482 numeric
@attribute FCFP4_1024b4 numeric
@attribute FCFP4_1024b979 numeric
@attribute FCFP4_1024b766 numeric
@attribute FCFP4_1024b150 numeric
@attribute FCFP4_1024b460 numeric
@attribute FCFP4_1024b833 numeric
@attribute FCFP4_1024b342 numeric
@attribute FCFP4_1024b532 numeric
@attribute FCFP4_1024b58 numeric
@attribute FCFP4_1024b457 numeric
@attribute FCFP4_1024b531 numeric
@attribute FCFP4_1024b542 numeric
@attribute FCFP4_1024b37 numeric
@attribute FCFP4_1024b464 numeric
@attribute FCFP4_1024b429 numeric
@attribute FCFP4_1024b993 numeric
@attribute FCFP4_1024b459 numeric
@attribute FCFP4_1024b992 numeric
@attribute FCFP4_1024b925 numeric
@attribute FCFP4_1024b186 numeric
@attribute FCFP4_1024b996 numeric
@attribute FCFP4_1024b697 numeric
@attribute FCFP4_1024b434 numeric
@attribute FCFP4_1024b93 numeric
@attribute FCFP4_1024b669 numeric
@attribute FCFP4_1024b103 numeric
@attribute FCFP4_1024b1002 numeric
@attribute FCFP4_1024b394 numeric
@attribute FCFP4_1024b535 numeric
@attribute FCFP4_1024b815 numeric
@attribute FCFP4_1024b967 numeric
@attribute FCFP4_1024b209 numeric
@attribute FCFP4_1024b346 numeric
@attribute FCFP4_1024b164 numeric
@attribute FCFP4_1024b805 numeric
@attribute FCFP4_1024b298 numeric
@attribute FCFP4_1024b997 numeric
@attribute FCFP4_1024b897 numeric
@attribute FCFP4_1024b986 numeric
@attribute FCFP4_1024b360 numeric
@attribute FCFP4_1024b948 numeric
@attribute FCFP4_1024b821 numeric
@attribute FCFP4_1024b660 numeric
@attribute FCFP4_1024b731 numeric
@attribute FCFP4_1024b322 numeric
@attribute FCFP4_1024b28 numeric
@attribute FCFP4_1024b222 numeric
@attribute FCFP4_1024b461 numeric
@attribute FCFP4_1024b246 numeric
@attribute FCFP4_1024b477 numeric
@attribute FCFP4_1024b890 numeric
@attribute FCFP4_1024b902 numeric
@attribute FCFP4_1024b356 numeric
@attribute FCFP4_1024b923 numeric
@attribute FCFP4_1024b107 numeric
@attribute FCFP4_1024b361 numeric
@attribute FCFP4_1024b403 numeric
@attribute FCFP4_1024b444 numeric
@attribute FCFP4_1024b414 numeric
@attribute FCFP4_1024b812 numeric
@attribute FCFP4_1024b13 numeric
@attribute FCFP4_1024b775 numeric
@attribute FCFP4_1024b453 numeric
@attribute FCFP4_1024b980 numeric
@attribute FCFP4_1024b762 numeric
@attribute FCFP4_1024b640 numeric
@attribute FCFP4_1024b875 numeric
@attribute FCFP4_1024b760 numeric
@attribute FCFP4_1024b170 numeric
@attribute FCFP4_1024b736 numeric
@attribute FCFP4_1024b110 numeric
@attribute FCFP4_1024b264 numeric
@attribute FCFP4_1024b835 numeric
@attribute FCFP4_1024b357 numeric
@attribute FCFP4_1024b820 numeric
@attribute FCFP4_1024b48 numeric
@attribute FCFP4_1024b668 numeric
@attribute FCFP4_1024b395 numeric
@attribute FCFP4_1024b296 numeric
@attribute FCFP4_1024b557 numeric
@attribute FCFP4_1024b412 numeric
@attribute FCFP4_1024b614 numeric
@attribute FCFP4_1024b491 numeric
@attribute FCFP4_1024b423 numeric
@attribute FCFP4_1024b747 numeric
@attribute FCFP4_1024b569 numeric
@attribute FCFP4_1024b981 numeric
@attribute FCFP4_1024b61 numeric
@attribute FCFP4_1024b911 numeric
@attribute FCFP4_1024b1011 numeric
@attribute FCFP4_1024b898 numeric
@attribute FCFP4_1024b856 numeric
@attribute FCFP4_1024b167 numeric
@attribute FCFP4_1024b939 numeric
@attribute FCFP4_1024b390 numeric
@attribute FCFP4_1024b229 numeric
@attribute FCFP4_1024b929 numeric
@attribute FCFP4_1024b896 numeric
@attribute FCFP4_1024b475 numeric
@attribute FCFP4_1024b836 numeric
@attribute FCFP4_1024b944 numeric
@attribute FCFP4_1024b784 numeric
@attribute FCFP4_1024b530 numeric
@attribute FCFP4_1024b810 numeric
@attribute FCFP4_1024b1 numeric
@attribute FCFP4_1024b100 numeric
@attribute FCFP4_1024b1000 numeric
@attribute FCFP4_1024b1001 numeric
@attribute FCFP4_1024b1003 numeric
@attribute FCFP4_1024b1004 numeric
@attribute FCFP4_1024b1005 numeric
@attribute FCFP4_1024b1006 numeric
@attribute FCFP4_1024b1007 numeric
@attribute FCFP4_1024b1008 numeric
@attribute FCFP4_1024b1009 numeric
@attribute FCFP4_1024b101 numeric
@attribute FCFP4_1024b1010 numeric
@attribute FCFP4_1024b1012 numeric
@attribute FCFP4_1024b1013 numeric
@attribute FCFP4_1024b1014 numeric
@attribute FCFP4_1024b1015 numeric
@attribute FCFP4_1024b1016 numeric
@attribute FCFP4_1024b1017 numeric
@attribute FCFP4_1024b1018 numeric
@attribute FCFP4_1024b1019 numeric
@attribute FCFP4_1024b102 numeric
@attribute FCFP4_1024b1020 numeric
@attribute FCFP4_1024b1021 numeric
@attribute FCFP4_1024b1022 numeric
@attribute FCFP4_1024b1023 numeric
@attribute FCFP4_1024b1024 numeric
@attribute FCFP4_1024b104 numeric
@attribute FCFP4_1024b105 numeric
@attribute FCFP4_1024b106 numeric
@attribute FCFP4_1024b109 numeric
@attribute FCFP4_1024b11 numeric
@attribute FCFP4_1024b111 numeric
@attribute FCFP4_1024b112 numeric
@attribute FCFP4_1024b113 numeric
@attribute FCFP4_1024b114 numeric
@attribute FCFP4_1024b115 numeric
@attribute FCFP4_1024b116 numeric
@attribute FCFP4_1024b117 numeric
@attribute FCFP4_1024b118 numeric
@attribute FCFP4_1024b119 numeric
@attribute FCFP4_1024b12 numeric
@attribute FCFP4_1024b120 numeric
@attribute FCFP4_1024b121 numeric
@attribute FCFP4_1024b122 numeric
@attribute FCFP4_1024b123 numeric
@attribute pXC50 numeric

@data
{12 1,15 1,18 1,21 1,24 1,28 1,30 1,33 1,34 1,41 1,44 1,45 1,46 1,48 1,56 1,60 1,68 1,70 1,74 1,80 1,97 1,103 1,124 1,136 1,148 1,160 1,206 8.155}
{0 CHEMBL100134,12 1,18 1,21 1,24 1,28 1,30 1,33 1,34 1,44 1,45 1,46 1,48 1,56 1,68 1,70 1,74 1,80 1,97 1,110 1,124 1,136 1,137 1,148 1,160 1,206 7.854}
{0 CHEMBL100146,18 1,19 1,21 1,22 1,23 1,24 1,25 1,28 1,30 1,31 1,32 1,33 1,34 1,35 1,37 1,38 1,42 1,44 1,45 1,46 1,56 1,70 1,74 1,75 1,80 1,94 1,103 1,116 1,124 1,128 1,136 1,160 1,206 7.745}
{0 CHEMBL100280,18 1,21 1,24 1,28 1,30 1,31 1,33 1,34 1,37 1,38 1,44 1,45 1,46 1,48 1,56 1,60 1,68 1,70 1,74 1,77 1,80 1,97 1,103 1,124 1,127 1,136 1,148 1,160 1,206 8.301}
{0 CHEMBL100512,18 1,21 1,24 1,28 1,30 1,31 1,33 1,34 1,37 1,38 1,44 1,45 1,46 1,48 1,56 1,68 1,70 1,74 1,77 1,97 1,103 1,124 1,136 1,148 1,160 1,206 9}
{0 CHEMBL100564,18 1,21 1,24 1,28 1,30 1,31 1,33 1,34 1,35 1,37 1,38 1,44 1,45 1,46 1,48 1,56 1,68 1,70 1,74 1,77 1,88 1,94 1,97 1,103 1,124 1,136 1,148 1,160 1,206 8.301}
{0 CHEMBL100570,18 1,19 1,21 1,22 1,24 1,28 1,30 1,31 1,32 1,33 1,34 1,35 1,37 1,44 1,45 1,46 1,55 1,56 1,70 1,74 1,108 1,124 1,160 1,206 7.331}
{0 CHEMBL100584,18 1,19 1,20 1,21 1,25 1,28 1,32 1,34 1,46 1,56 1,70 1,74 1,80 1,103 1,124 1,160 1,164 1,165 1,167 1,195 1,206 8.444}
{0 CHEMBL100754,18 1,19 1,21 1,22 1,24 1,28 1,30 1,31 1,32 1,35 1,37 1,55 1,56 1,74 1,103 1,108 1,124 1,160 1,206 6.35}
{0 CHEMBL100777,17 1,18 1,21 1,24 1,28 1,30 1,31 1,33 1,34 1,37 1,38 1,44 1,45 1,46 1,48 1,56 1,68 1,70 1,74 1,77 1,82 1,97 1,103 1,124 1,136 1,148 1,160 1,206 8.699}
{0 CHEMBL100805,18 1,19 1,20 1,21 1,28 1,32 1,33 1,34 1,46 1,56 1,70 1,74 1,80 1,103 1,104 1,110 1,118 1,124 1,143 1,160 1,165 1,167 1,206 7.602}
{0 CHEMBL100950,12 1,15 1,18 1,21 1,24 1,28 1,30 1,31 1,33 1,34 1,37 1,44 1,45 1,46 1,48 1,55 1,56 1,70 1,74 1,97 1,103 1,124 1,136 1,148 1,160 1,206 8.523}
{0 CHEMBL101121,18 1,19 1,20 1,21 1,28 1,32 1,33 1,34 1,46 1,56 1,70 1,74 1,80 1,103 1,104 1,124 1,138 1,160 1,165 1,167 1,206 8.301}
{0 CHEMBL101210,18 1,21 1,24 1,28 1,30 1,31 1,33 1,34 1,37 1,38 1,44 1,45 1,46 1,48 1,56 1,60 1,68 1,70 1,74 1,77 1,80 1,82 1,97 1,124 1,136 1,148 1,160 1,206 8.155}
{0 CHEMBL101413,18 1,21 1,26 1,28 1,33 1,34 1,41 1,44 1,45 1,46 1,48 1,56 1,70 1,74 1,77 1,97 1,103 1,124 1,136 1,148 1,160 1,202 1,206 8}
{0 CHEMBL101612,14 1,16 1,18 1,21 1,24 1,28 1,29 1,30 1,31 1,34 1,37 1,38 1,44 1,46 1,48 1,56 1,68 1,74 1,77 1,97 1,124 1,136 1,148 1,160 1,206 9.301}
{0 CHEMBL101789,18 1,19 1,21 1,22 1,24 1,28 1,30 1,31 1,32 1,35 1,37 1,41 1,55 1,56 1,74 1,108 1,124 1,160 1,206 8.678}
{0 CHEMBL101864,18 1,21 1,24 1,28 1,30 1,31 1,33 1,34 1,37 1,38 1,44 1,45 1,46 1,48 1,56 1,68 1,70 1,74 1,77 1,97 1,124 1,136 1,148 1,160 1,206 8.699}
{0 CHEMBL101981,18 1,21 1,24 1,28 1,30 1,31 1,33 1,34 1,37 1,38 1,44 1,45 1,46 1,48 1,56 1,68 1,70 1,74 1,77 1,97 1,103 1,124 1,136 1,148 1,160 1,206 8.097}
{0 CHEMBL102057,18 1,21 1,24 1,28 1,30 1,31 1,33 1,34 1,37 1,38 1,44 1,45 1,46 1,47 1,48 1,56 1,68 1,70 1,74 1,77 1,82 1,85 1,97 1,124 1,136 1,148 1,160 1,206 8.699}
{0 CHEMBL102415,7 1,15 1,18 1,19 1,21 1,22 1,23 1,24 1,25 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,42 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,80 1,103 1,124 1,136 1,160 1,206 9.046}
{0 CHEMBL102438,15 1,18 1,19 1,21 1,22 1,23 1,24 1,25 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,42 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,80 1,84 1,103 1,108 1,124 1,127 1,142 1,160 1,206 9.699}
{0 CHEMBL102441,15 1,18 1,19 1,21 1,22 1,23 1,24 1,25 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,42 1,44 1,45 1,46 1,56 1,67 1,68 1,70 1,74 1,80 1,84 1,108 1,124 1,142 1,160 1,182 1,206 6.827}
{0 CHEMBL102459,18 1,19 1,20 1,21 1,25 1,28 1,32 1,33 1,34 1,46 1,56 1,70 1,74 1,80 1,103 1,124 1,160 1,164 1,165 1,167 1,206 7.481}
{0 CHEMBL102504,15 1,18 1,19 1,21 1,22 1,23 1,24 1,25 1,28 1,29 1,30 1,32 1,33 1,34 1,35 1,36 1,40 1,41 1,42 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,80 1,84 1,108 1,124 1,127 1,135 1,142 1,160 1,182 1,206 9.699}
{0 CHEMBL102698,7 1,18 1,19 1,21 1,22 1,23 1,24 1,25 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,42 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,80 1,103 1,124 1,136 1,160 1,206 8.553}
{0 CHEMBL102785,15 1,18 1,19 1,21 1,22 1,23 1,24 1,25 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,41 1,42 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,80 1,84 1,103 1,108 1,124 1,142 1,160 1,206 9.699}
{0 CHEMBL102798,15 1,18 1,19 1,21 1,22 1,23 1,24 1,25 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,42 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,80 1,84 1,103 1,108 1,124 1,127 1,142 1,160 1,206 9.699}
{0 CHEMBL103418,18 1,19 1,21 1,22 1,24 1,28 1,30 1,31 1,32 1,33 1,34 1,35 1,37 1,41 1,44 1,45 1,46 1,55 1,56 1,70 1,74 1,108 1,124 1,160 1,206 9.046}
{0 CHEMBL103442,18 1,19 1,20 1,21 1,28 1,32 1,33 1,34 1,46 1,56 1,70 1,74 1,80 1,103 1,104 1,124 1,148 1,160 1,165 1,167 1,206 7.796}
{0 CHEMBL103563,18 1,19 1,21 1,22 1,24 1,28 1,30 1,31 1,32 1,35 1,37 1,41 1,55 1,56 1,74 1,108 1,124 1,160 1,161 1,206 8.071}
{0 CHEMBL104021,18 1,19 1,21 1,22 1,23 1,24 1,25 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,42 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,103 1,108 1,124 1,132 1,160 1,182 1,206 9.046}
{0 CHEMBL104022,15 1,18 1,19 1,21 1,22 1,23 1,24 1,25 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,42 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,80 1,84 1,103 1,108 1,124 1,142 1,160 1,182 1,206 10}
{0 CHEMBL104446,7 1,18 1,19 1,21 1,22 1,23 1,24 1,25 1,27 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,42 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,124 1,135 1,136 1,160 1,206 6.86}
{0 CHEMBL10454,28 1,33 1,34 1,44 1,45 1,46 1,56 1,69 1,70 1,74 1,95 1,103 1,124 1,129 1,132 1,139 1,160 1,206 6.257}
{0 CHEMBL104599,14 1,15 1,16 1,18 1,19 1,21 1,22 1,23 1,24 1,25 1,28 1,29 1,30 1,32 1,34 1,35 1,40 1,42 1,46 1,56 1,68 1,70 1,74 1,80 1,84 1,103 1,108 1,124 1,142 1,160 1,182 1,206 9.301}
{0 CHEMBL104722,4 1,6 1,15 1,18 1,19 1,21 1,22 1,23 1,24 1,25 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,42 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,80 1,84 1,103 1,108 1,124 1,142 1,160 1,182 1,206 8.097}
{0 CHEMBL105142,18 1,19 1,21 1,22 1,23 1,24 1,25 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,42 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,108 1,124 1,160 1,182 1,206 8.155}
{0 CHEMBL105279,15 1,18 1,19 1,21 1,22 1,23 1,24 1,25 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,42 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,80 1,84 1,103 1,108 1,124 1,142 1,160 1,182 1,206 8.495}
{0 CHEMBL105311,7 1,11 1,15 1,18 1,19 1,21 1,22 1,23 1,24 1,25 1,26 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,41 1,42 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,80 1,84 1,103 1,108 1,124 1,142 1,160 1,206 9.699}
{0 CHEMBL105422,15 1,18 1,19 1,21 1,22 1,23 1,24 1,25 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,42 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,75 1,80 1,84 1,94 1,103 1,108 1,124 1,142 1,160 1,206 7.538}
{0 CHEMBL105535,15 1,18 1,19 1,21 1,22 1,23 1,24 1,25 1,26 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,41 1,42 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,80 1,84 1,108 1,122 1,124 1,142 1,160 1,182 1,206 8.523}
{0 CHEMBL105962,7 1,18 1,19 1,21 1,22 1,23 1,24 1,25 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,42 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,80 1,103 1,124 1,136 1,160 1,206 8.444}
{0 CHEMBL106016,15 1,18 1,19 1,21 1,22 1,23 1,24 1,25 1,26 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,41 1,42 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,80 1,84 1,103 1,108 1,122 1,124 1,127 1,142 1,160 1,206 9.699}
{0 CHEMBL106889,18 1,19 1,21 1,28 1,32 1,33 1,34 1,43 1,46 1,53 1,56 1,70 1,73 1,74 1,80 1,103 1,124 1,137 1,160 1,206 4.444}
{0 CHEMBL1077203,15 1,32 1,41 1,56 1,74 1,80 1,87 1,97 1,104 1,124 1,160 1,206 4.398}
{0 CHEMBL1078281,11 1,26 1,28 1,29 1,41 1,56 1,70 1,74 1,77 1,91 1,95 1,103 1,124 1,129 1,132 1,149 1,160 1,206 7.237}
{0 CHEMBL1078396,1 1,10 1,17 1,28 1,32 1,33 1,34 1,41 1,44 1,45 1,46 1,56 1,70 1,74 1,77 1,87 1,91 1,97 1,124 1,154 1,159 1,160 1,181 1,206 4}
{0 CHEMBL1082317,10 1,12 1,18 1,19 1,21 1,28 1,32 1,34 1,46 1,56 1,70 1,74 1,80 1,94 1,102 1,103 1,124 1,130 1,136 1,142 1,160 1,167 1,206 5}
{0 CHEMBL1082318,10 1,12 1,18 1,19 1,21 1,24 1,28 1,30 1,32 1,34 1,35 1,46 1,56 1,68 1,70 1,74 1,80 1,94 1,102 1,103 1,120 1,124 1,130 1,136 1,160 1,167 1,206 5}
{0 CHEMBL1082370,10 1,17 1,18 1,19 1,21 1,28 1,29 1,32 1,34 1,44 1,46 1,56 1,74 1,80 1,102 1,103 1,124 1,136 1,142 1,160 1,206 5.602}
{0 CHEMBL1082371,10 1,12 1,18 1,19 1,21 1,28 1,29 1,32 1,33 1,34 1,44 1,45 1,46 1,56 1,70 1,74 1,80 1,102 1,121 1,124 1,136 1,142 1,160 1,206 5}
{0 CHEMBL1082381,10 1,14 1,16 1,18 1,19 1,21 1,24 1,28 1,29 1,30 1,32 1,34 1,46 1,56 1,68 1,74 1,103 1,120 1,124 1,136 1,137 1,160 1,206 8.824}
{0 CHEMBL1082966,10 1,18 1,19 1,21 1,28 1,32 1,34 1,46 1,56 1,74 1,80 1,103 1,124 1,130 1,136 1,142 1,160 1,206 6.449}
{0 CHEMBL1083322,10 1,18 1,19 1,21 1,28 1,29 1,32 1,34 1,46 1,56 1,74 1,80 1,102 1,103 1,124 1,136 1,142 1,158 1,160 1,206 5}
{0 CHEMBL1083906,10 1,12 1,18 1,19 1,21 1,28 1,32 1,34 1,46 1,56 1,74 1,80 1,103 1,124 1,130 1,136 1,142 1,160 1,206 5.544}
{0 CHEMBL1083907,10 1,18 1,19 1,21 1,28 1,32 1,34 1,46 1,56 1,74 1,80 1,103 1,124 1,130 1,136 1,142 1,160 1,206 5.68}
{0 CHEMBL1083931,10 1,18 1,19 1,21 1,24 1,28 1,30 1,32 1,34 1,35 1,46 1,56 1,68 1,74 1,80 1,85 1,120 1,124 1,130 1,136 1,160 1,201 1,206 5}
{0 CHEMBL1083932,10 1,18 1,19 1,21 1,28 1,29 1,32 1,34 1,46 1,56 1,74 1,80 1,102 1,103 1,124 1,136 1,142 1,160 1,206 6.577}
{0 CHEMBL108412,17 1,18 1,19 1,21 1,28 1,32 1,43 1,44 1,54 1,56 1,70 1,74 1,103 1,124 1,137 1,160 1,206 6.071}
{0 CHEMBL1084206,10 1,18 1,19 1,21 1,28 1,32 1,33 1,34 1,44 1,45 1,46 1,56 1,70 1,74 1,80 1,103 1,124 1,130 1,136 1,142 1,160 1,206 6.788}
{0 CHEMBL1084208,10 1,18 1,19 1,21 1,28 1,32 1,33 1,34 1,44 1,45 1,46 1,56 1,70 1,74 1,80 1,124 1,130 1,136 1,142 1,160 1,206 6.141}
{0 CHEMBL1084209,10 1,12 1,18 1,19 1,21 1,28 1,32 1,34 1,46 1,56 1,74 1,80 1,124 1,130 1,136 1,142 1,160 1,206 6.166}
{0 CHEMBL1084220,10 1,18 1,19 1,21 1,28 1,29 1,32 1,34 1,44 1,45 1,46 1,56 1,70 1,74 1,80 1,102 1,103 1,124 1,136 1,137 1,142 1,160 1,206 5.174}
{0 CHEMBL1084221,10 1,18 1,19 1,21 1,28 1,29 1,32 1,34 1,46 1,56 1,74 1,80 1,102 1,124 1,136 1,142 1,160 1,206 6.456}
{0 CHEMBL1084238,10 1,18 1,19 1,21 1,28 1,32 1,34 1,46 1,56 1,74 1,80 1,85 1,124 1,130 1,136 1,142 1,160 1,201 1,206 5.301}
{0 CHEMBL1084509,10 1,18 1,19 1,21 1,28 1,32 1,34 1,46 1,56 1,74 1,80 1,124 1,130 1,136 1,142 1,160 1,206 6.569}
{0 CHEMBL1084510,10 1,18 1,19 1,21 1,24 1,28 1,30 1,32 1,33 1,34 1,35 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,80 1,120 1,124 1,130 1,136 1,160 1,206 6.137}
{0 CHEMBL108494,32 1,56 1,67 1,70 1,74 1,80 1,89 1,90 1,103 1,119 1,124 1,129 1,136 1,160 1,164 1,189 1,206 4.824}
{0 CHEMBL1085257,10 1,18 1,19 1,21 1,24 1,28 1,30 1,32 1,34 1,44 1,46 1,56 1,59 1,60 1,68 1,70 1,74 1,80 1,102 1,103 1,110 1,118 1,120 1,124 1,127 1,134 1,136 1,160 1,167 1,206 5.91}
{0 CHEMBL1085263,10 1,18 1,19 1,21 1,28 1,29 1,32 1,33 1,34 1,44 1,45 1,46 1,56 1,70 1,74 1,80 1,102 1,124 1,136 1,137 1,142 1,160 1,206 5}
{0 CHEMBL1085602,10 1,18 1,19 1,21 1,28 1,32 1,34 1,46 1,56 1,74 1,80 1,103 1,124 1,130 1,136 1,142 1,160 1,206 6.347}
{0 CHEMBL1088878,18 1,19 1,21 1,22 1,23 1,24 1,25 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,42 1,46 1,56 1,68 1,70 1,74 1,80 1,84 1,103 1,104 1,108 1,124 1,138 1,150 1,160 1,182 1,206 7.886}
{0 CHEMBL1089842,15 1,18 1,19 1,21 1,28 1,32 1,33 1,34 1,46 1,56 1,70 1,74 1,80 1,103 1,124 1,129 1,150 1,160 1,204 1,206 7.337}
{0 CHEMBL1089843,18 1,19 1,21 1,28 1,32 1,33 1,34 1,46 1,56 1,70 1,74 1,80 1,103 1,104 1,124 1,129 1,138 1,150 1,160 1,206 8.456}
{0 CHEMBL1090035,6 1,18 1,19 1,21 1,22 1,25 1,28 1,30 1,32 1,33 1,34 1,35 1,42 1,44 1,45 1,46 1,56 1,70 1,74 1,124 1,160 1,206 6.77}
{0 CHEMBL1090283,18 1,19 1,21 1,28 1,32 1,56 1,74 1,124 1,129 1,160 1,206 6.538}
{0 CHEMBL1090284,7 1,18 1,19 1,21 1,22 1,23 1,24 1,25 1,28 1,30 1,32 1,33 1,34 1,35 1,40 1,42 1,44 1,45 1,46 1,56 1,68 1,70 1,74 1,124 1,160 1,182 1,206 8.143}
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